A0A096NU53_PAPAN Loading...

Ornithine aminotransferase

Catalyzes the reversible interconversion of L-ornithine and 2-oxoglutarate to L-glutamate semialdehyde and L-glutamate.

AlphaFold DB , UniProt , Accession A0A096NU53, Species PAPAN (Papio anubis, Olive baboon), Gene OAT, Length 439 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	31.8	Very low	232 Å²	232	170.7 Å²	170.7	100%	1.143	83%	0.826	S	S	*	*				0	116.7	0	-98.2	174.4	173.8	0	0	108.1
2	F	32.1	Very low	31.8	Very low	191 Å²	191	164 Å²	164	84%	0.838	82%	0.819	S	S	*	*			trans	53.1	100.5	165.2	-63.9	-82.6	0	0	0	118.3
3	S	31.8	Very low	31.8	Very low	89 Å²	89	162.5 Å²	162.5	62%	0.622	82%	0.823	S	S	*	*				67.9	134	73.3	92.3	0	0	0	0	113.1
4	K	32.6	Very low	31.9	Very low	186 Å²	186	162.7 Å²	162.7	81%	0.809	83%	0.826	S	S	*	*			cis	-155.6	141.8	45.9	-67.9	166.3	167.6	172.8	0	109.6
5	L	34.2	Very low	32	Very low	165 Å²	165	159.7 Å²	159.7	86%	0.864	83%	0.826	S	S	*	*				40.4	145.4	78	-79.5	133.6	0	0	0	114.8
6	A	33.6	Very low	32.1	Very low	72 Å²	72	165.2 Å²	165.2	60%	0.595	83%	0.833	S	S	*	*			cis	-178.8	159.9	-22.4	0	0	0	0	0	106.3
7	H	29.6	Very low	32	Very low	166 Å²	166	159.6 Å²	159.6	77%	0.769	83%	0.827	S	S	*	*			trans	131.9	113.7	150.1	-78.7	-67.7	0	0	0	113.5
8	L	30.6	Very low	32.4	Very low	144 Å²	144	158.3 Å²	158.3	75%	0.754	83%	0.827	S	S	*	*				61.5	108	73.4	-94.4	151.2	0	0	0	113.9
9	Q	29.5	Very low	32.5	Very low	187 Å²	187	159.7 Å²	159.7	87%	0.874	83%	0.828	S	S	*	*				178.8	150.1	103	-100.3	179.5	-20.5	0	0	113.7
10	R	32	Very low	32.5	Very low	231 Å²	231	156.4 Å²	156.4	87%	0.872	82%	0.819	S	S	*	*			trans	-66.2	155.8	178.4	-64.1	168.7	167.7	-178.2	-4.4	112.4
11	F	29.4	Very low	32.5	Very low	215 Å²	215	154.8 Å²	154.8	94%	0.943	82%	0.821	S	S	*	*				-156.4	139.1	126.4	-102.3	-75.2	0	0	0	110.8
12	A	31.6	Very low	32.5	Very low	90 Å²	90	149.6 Å²	149.6	74%	0.744	80%	0.802	S	S	*	*			trans	-87.8	144.6	178.1	0	0	0	0	0	110.7
13	V	31.5	Very low	32.6	Very low	145 Å²	145	145 Å²	145	88%	0.879	80%	0.8	S	S	*	*			trans	-138.5	125.5	158.3	178.5	0	0	0	0	108.8
14	L	33.2	Very low	32.7	Very low	165 Å²	165	145.5 Å²	145.5	86%	0.864	80%	0.803	S	S	*	*			trans	-70.4	135.8	171.1	-81.7	128.8	0	0	0	110.7
15	S	33.4	Very low	32.8	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	80%	0.803	S	S	*	*			trans	-140.9	115.6	153.2	60.8	0	0	0	0	110
16	R	33.2	Very low	33	Very low	248 Å²	248	139.1 Å²	139.1	94%	0.936	80%	0.797	S	S	*	*			trans	-68.4	122.6	170.7	-76.6	177.4	170.6	-175.8	-3.7	109
17	G	31.2	Very low	33.1	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	81%	0.805	S	S	*	*			trans	-124.1	111.2	166.9	0	0	0	0	0	109	H19	G17-H19 PolarHBondContact O-N 3.19Å
18	V	38.4	Very low	33.7	Very low	136 Å²	136	139 Å²	139	82%	0.824	81%	0.805	S	S	*	*			trans	-71.5	118.4	171.4	175.3	0	0	0	0	107.4
19	H	34.2	Very low	34.4	Very low	185 Å²	185	136 Å²	136	86%	0.856	80%	0.801	S	S	*	*			trans	-136.1	127.2	160.7	-88.8	-50.6	0	0	0	111.9	G17	G17-H19 PolarHBondContact O-N 3.19Å
20	S	32.8	Very low	35	Very low	92 Å²	92	133.1 Å²	133.1	64%	0.643	80%	0.796	S	S	*	*			trans	-53.9	132.4	-178.2	52.5	0	0	0	0	113.2	V22	S20-V22 PolarHBondContact O-N 2.88Å
21	S	32.5	Very low	36	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	80%	0.796	S	S	*	*			trans	-67.5	97.5	163.6	55	0	0	0	0	109.8
22	V	34.3	Very low	37	Very low	123 Å²	123	130.5 Å²	130.5	75%	0.745	79%	0.791	S	S	*	*			trans	-90.9	96.9	160.7	-176.2	0	0	0	0	105.8	S20 S24	S20-V22 PolarHBondContact O-N 2.88Å; V22-S24 PolarHBondContact O-N 3.37Å
23	A	34.7	Very low	38.2	Very low	96 Å²	96	132.1 Å²	132.1	79%	0.793	79%	0.791	S	S	*	*			trans	-64.1	105.6	166.9	0	0	0	0	0	107.3	A25	A23-A25 PolarHBondContact O-N 3.26Å
24	S	34.8	Very low	39.5	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	78%	0.779	S	S	*	*			trans	-66.8	107.7	168.3	67.9	0	0	0	0	107	V22 T26	V22-S24 PolarHBondContact O-N 3.37Å; S24-T26 VanDerWaalsContact C-N 3.28Å; S24-T26 PolarHBondContact O-N 3.43Å
25	A	34.3	Very low	41.1	Very low	99 Å²	99	131.6 Å²	131.6	82%	0.818	78%	0.782	S	S	*	*			trans	-60.8	95.8	166.6	0	0	0	0	0	107.6	A23 S27	A23-A25 PolarHBondContact O-N 3.26Å; A25-S27 VanDerWaalsContact C-N 3.34Å; A25-S27 PolarHBondContact O-N 3.03Å
26	T	38	Very low	43.5	Very low	119 Å²	119	128.4 Å²	128.4	73%	0.73	77%	0.767	S	S	*	*			trans	-60.6	104.6	160.8	38.8	0	0	0	0	105.8	S24 V28	S24-T26 VanDerWaalsContact C-N 3.28Å; S24-T26 PolarHBondContact O-N 3.43Å; T26-V28 PolarHBondContact O-N 3.46Å
27	S	36.9	Very low	46.3	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	76%	0.756	S	S	*	*			trans	-54.8	106.8	167.8	60.7	0	0	0	0	106.5	A25 A29	A25-S27 VanDerWaalsContact C-N 3.34Å; A25-S27 PolarHBondContact O-N 3.03Å; S27-A29 PolarHBondContact O-N 3.45Å
28	V	41	Very low	49.4	Very low	126 Å²	126	120.7 Å²	120.7	76%	0.764	74%	0.737	S	S	*	*			trans	-62.1	94.2	162.8	179.1	0	0	0	0	103.9	T26 T30	T26-V28 PolarHBondContact O-N 3.46Å; V28-T30 PolarHBondContact O-N 3.29Å
29	A	44.9	Very low	52.3	Low	81 Å²	81	117.6 Å²	117.6	67%	0.669	72%	0.718	S	S	*	*			trans	-57.7	102.9	165.7	0	0	0	0	0	104.5	S27 K31	S27-A29 PolarHBondContact O-N 3.45Å; A29-K31 PolarHBondContact O-N 3.33Å
30	T	42.2	Very low	55.3	Low	127 Å²	127	109.4 Å²	109.4	78%	0.779	68%	0.681	S	S	*	*			trans	-55.7	96.6	167.6	28.8	0	0	0	0	105.4	V28 K32	V28-T30 PolarHBondContact O-N 3.29Å; T30-K32 VanDerWaalsContact C-N 3.34Å; T30-K32 PolarHBondContact O-N 3.47Å
31	K	53.3	Low	58.4	Low	199 Å²	199	110.2 Å²	110.2	87%	0.865	68%	0.675	S	S	*	*			trans	-52.7	108.8	166.4	-93	-170.8	171.7	-166.6	0	104.6	A29 T33	A29-K31 PolarHBondContact O-N 3.33Å; K31-T33 PolarHBondContact O-N 3.24Å
32	K	51.3	Low	61.6	Low	192 Å²	192	107.2 Å²	107.2	84%	0.835	65%	0.649	S	S	*	*			trans	-46.2	116.4	167.9	-83.6	179.3	172.2	179.1	0	105.5	T30 V34	T30-K32 VanDerWaalsContact C-N 3.34Å; T30-K32 PolarHBondContact O-N 3.47Å; K32-V34 VanDerWaalsContact C-N 3.34Å; K32-V34 PolarHBondContact O-N 3.2Å
33	T	55.5	Low	64.6	Low	124 Å²	124	102.5 Å²	102.5	76%	0.761	62%	0.62	S	S	*	*			trans	-55.3	107.1	163.5	28.9	0	0	0	0	105.3	K31 Q35	K31-T33 PolarHBondContact O-N 3.24Å; T33-Q35 PolarHBondContact O-N 3.23Å
34	V	58.5	Low	67.7	Low	103 Å²	103	100.9 Å²	100.9	62%	0.624	60%	0.595	S	S	*	*			trans	-59.3	107	174.6	178.2	0	0	0	0	105.4	K32 G36	K32-V34 VanDerWaalsContact C-N 3.34Å; K32-V34 PolarHBondContact O-N 3.2Å; V34-G36 PolarHBondContact O-N 3.02Å
35	Q	67.4	Low	70.7	Confident	195 Å²	195	101.8 Å²	101.8	91%	0.911	59%	0.588	S	S	*	*			trans	-76.6	99.6	174.2	-79.7	-172.6	-15.2	0	0	107.1	T33	T33-Q35 PolarHBondContact O-N 3.23Å
36	G	84.2	Confident	73.8	Confident	50 Å²	50	103.2 Å²	103.2	52%	0.515	57%	0.573	S	S	.	*	S	Bend	trans	155.8	165.8	179.4	0	0	0	0	0	111.6	V34	V34-G36 PolarHBondContact O-N 3.02Å
37	P	92.3	Very high	76.7	Confident	108 Å²	108	103.8 Å²	103.8	70%	0.701	57%	0.567	S	S	*	*	S	Bend	trans	-60.1	151.8	166.7	27.2	-32.6	0	0	0	110.5
38	P	96.5	Very high	79.6	Confident	50 Å²	50	106.4 Å²	106.4	33%	0.325	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-60.6	142.1	178.6	-21.4	33.1	0	0	0	112.4	D42 I43	P38-D42 HydrophobicContact CB-CB 3.91Å; P38-I43 HydrophobicContact CB-CD1 4.33Å; P38-I43 HydrophobicContact CB-CG1 3.91Å
39	T	98.2	Very high	82.3	Confident	70 Å²	70	107.3 Å²	107.3	43%	0.429	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-74.9	168.2	168.9	65.6	0	0	0	0	111.4	E41 D42 I43	T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 PolarHBondContact O-N 3.39Å; T39-D42 WeakPolarHBondContact CB-OD2 3.36Å; T39-D42 PolarHBondContact N-OD2 2.67Å; T39-D42 PolarHBondContact O-N 3.49Å; T39-D42 VanDerWaalsContact OG1-CG 3.25Å; T39-D42 PolarHBondContact OG1-N 2.85Å; T39-D42 PolarHBondContact OG1-OD2 3.27Å; T39-I43 WeakPolarHBondContact O-CG1 3.4Å; T39-I43 PolarHBondContact O-N 3.22Å; T39-I43 VanDerWaalsContact O-N 3.07Å
40	S	98.1	Very high	84.9	Confident	13 Å²	13	111.6 Å²	111.6	9%	0.091	56%	0.555	C	S	.	*	H	α-helix	trans	-50.5	-45.7	170.7	-77.2	0	0	0	0	112.9	I43 F44 E74	S40-I43 WeakPolarHBondContact O-CB 3.4Å; S40-I43 PolarHBondContact O-N 3.04Å; S40-I43 VanDerWaalsContact O-N 3.15Å; S40-F44 VanDerWaalsContact O-CD1 3.31Å; S40-F44 WeakPolarHBondContact O-CD1 3.41Å; S40-F44 VanDerWaalsContact O-CD2 3.24Å; S40-F44 WeakPolarHBondContact O-CD2 3.2Å; S40-F44 WeakPolarHBondContact O-CG 3.49Å; S40-F44 PolarHBondContact O-N 3Å; S40-E74 WeakPolarHBondContact CB-OE1 3.39Å; S40-E74 PolarHBondContact N-OE1 3.42Å; S40-E74 PolarHBondContact OG-OE1 2.74Å; S40-E74 PolarHBondContact OG-OE2 2.98Å
41	E	98.3	Very high	87.5	Confident	110 Å²	110	107.4 Å²	107.4	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-42.2	-179.3	-166	61.7	-152.2	0	0	111.7	T39 I43 F44 E45	T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 PolarHBondContact O-N 3.39Å; E41-I43 PolarHBondContact O-N 2.82Å; E41-F44 PolarHBondContact O-N 3.27Å; E41-E45 HydrophobicContact CG-CG 4.41Å; E41-E45 WeakPolarHBondContact O-CB 3.25Å; E41-E45 WeakPolarHBondContact O-CG 3.44Å; E41-E45 PolarHBondContact O-N 2.91Å
42	D	98.4	Very high	89.7	Confident	59 Å²	59	101.9 Å²	101.9	32%	0.316	53%	0.529	S	S	.	.	H	α-helix	trans	-58.3	-35.6	174.8	-63.8	-56.2	0	0	0	111.6	P38 T39 R46	P38-D42 HydrophobicContact CB-CB 3.91Å; T39-D42 WeakPolarHBondContact CB-OD2 3.36Å; T39-D42 PolarHBondContact N-OD2 2.67Å; T39-D42 PolarHBondContact O-N 3.49Å; T39-D42 VanDerWaalsContact OG1-CG 3.25Å; T39-D42 PolarHBondContact OG1-N 2.85Å; T39-D42 PolarHBondContact OG1-OD2 3.27Å; D42-R46 WeakPolarHBondContact O-CB 3.37Å; D42-R46 PolarHBondContact O-N 3.04Å; D42-R46 VanDerWaalsContact O-N 3.17Å
43	I	98.6	Very high	91.9	Very high	25 Å²	25	98.5 Å²	98.5	13%	0.128	52%	0.515	C	S	.	.	H	α-helix	trans	-71.7	-47.3	178.2	-68	166.4	0	0	0	110.4	P38 T39 S40 E41 R46 E47 A61 V73	P38-I43 HydrophobicContact CB-CD1 4.33Å; P38-I43 HydrophobicContact CB-CG1 3.91Å; T39-I43 WeakPolarHBondContact O-CG1 3.4Å; T39-I43 PolarHBondContact O-N 3.22Å; T39-I43 VanDerWaalsContact O-N 3.07Å; S40-I43 WeakPolarHBondContact O-CB 3.4Å; S40-I43 PolarHBondContact O-N 3.04Å; S40-I43 VanDerWaalsContact O-N 3.15Å; E41-I43 PolarHBondContact O-N 2.82Å; I43-R46 PolarHBondContact O-N 2.94Å; I43-E47 PolarHBondContact O-N 3.09Å; I43-A61 HydrophobicContact CB-CB 4.25Å; I43-A61 HydrophobicContact CD1-CB 3.71Å; I43-A61 HydrophobicContact CG2-CB 4.15Å; I43-V73 HydrophobicContact CD1-CB 4.4Å; I43-V73 HydrophobicContact CD1-CG1 3.67Å; I43-V73 HydrophobicContact CD1-CG2 4Å
44	F	98.5	Very high	93.9	Very high	62 Å²	62	98.2 Å²	98.2	27%	0.272	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-48.1	179.7	-54.3	-26.3	0	0	0	111.6	S40 E41 R46 E47 Y48 P59 A61	S40-F44 VanDerWaalsContact O-CD1 3.31Å; S40-F44 WeakPolarHBondContact O-CD1 3.41Å; S40-F44 VanDerWaalsContact O-CD2 3.24Å; S40-F44 WeakPolarHBondContact O-CD2 3.2Å; S40-F44 WeakPolarHBondContact O-CG 3.49Å; S40-F44 PolarHBondContact O-N 3Å; E41-F44 PolarHBondContact O-N 3.27Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.99Å; F44-E47 PolarHBondContact O-N 2.89Å; F44-Y48 WeakPolarHBondContact O-CB 3.38Å; F44-Y48 PolarHBondContact O-N 3.07Å; F44-P59 HydrophobicContact CE2-CB 4.11Å; F44-P59 HydrophobicContact CZ-CB 4.19Å; F44-A61 HydrophobicContact CE1-CB 3.9Å; F44-A61 HydrophobicContact CZ-CB 4.34Å
45	E	98.6	Very high	95.7	Very high	116 Å²	116	100.9 Å²	100.9	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-38.3	177.7	-72.7	-172	168.1	0	0	111.9	E41 Y48 K49	E41-E45 HydrophobicContact CG-CG 4.41Å; E41-E45 WeakPolarHBondContact O-CB 3.25Å; E41-E45 WeakPolarHBondContact O-CG 3.44Å; E41-E45 PolarHBondContact O-N 2.91Å; E45-Y48 PolarHBondContact O-N 2.89Å; E45-K49 VanDerWaalsContact O-CB 3.31Å; E45-K49 WeakPolarHBondContact O-CB 3.5Å; E45-K49 PolarHBondContact O-N 2.97Å
46	R	98.6	Very high	97	Very high	130 Å²	130	98.3 Å²	98.3	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-65.5	-45.3	176.9	-176.1	170.3	60.3	-166.1	-1.7	111.2	D42 I43 F44 K49 Y50	D42-R46 WeakPolarHBondContact O-CB 3.37Å; D42-R46 PolarHBondContact O-N 3.04Å; D42-R46 VanDerWaalsContact O-N 3.17Å; I43-R46 PolarHBondContact O-N 2.94Å; F44-R46 VanDerWaalsContact C-N 3.29Å; F44-R46 PolarHBondContact O-N 2.99Å; R46-K49 PolarHBondContact O-N 3.34Å; R46-Y50 HydrophobicContact CG-CD2 3.8Å; R46-Y50 HydrophobicContact CG-CE2 4.09Å; R46-Y50 VanDerWaalsContact O-CD2 3.22Å; R46-Y50 WeakPolarHBondContact O-CD2 3.21Å; R46-Y50 PolarHBondContact O-N 2.79Å; R46-Y50 VanDerWaalsContact O-N 3.09Å
47	E	98.5	Very high	97.7	Very high	130 Å²	130	100 Å²	100	61%	0.607	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-44.2	174.1	-78.9	-163.3	-147.3	0	0	111.9	I43 F44 K49 Y50 G51	I43-E47 PolarHBondContact O-N 3.09Å; F44-E47 PolarHBondContact O-N 2.89Å; E47-K49 PolarHBondContact O-N 3.23Å; E47-Y50 PolarHBondContact O-N 2.78Å; E47-G51 WeakPolarHBondContact O-CA 3.3Å; E47-G51 PolarHBondContact O-N 3.09Å
48	Y	98.3	Very high	97.9	Very high	164 Å²	164	96.1 Å²	96.1	64%	0.643	47%	0.472	S	S	*	.	H	α-helix	trans	-58	-35.9	175.4	-175.4	-94.8	0	0	0	112.1	F44 E45 H53	F44-Y48 WeakPolarHBondContact O-CB 3.38Å; F44-Y48 PolarHBondContact O-N 3.07Å; E45-Y48 PolarHBondContact O-N 2.89Å; Y48-H53 AromaticContact CD2-CE1 3.61Å; Y48-H53 AromaticContact CD2-NE2 3.69Å; Y48-H53 AromaticContact CE2-CE1 3.34Å; Y48-H53 WeakPolarHBondContact CE2-CE1 3.49Å; Y48-H53 AromaticContact CE2-ND1 3.82Å; Y48-H53 AromaticContact CE2-NE2 3.92Å; Y48-H53 AromaticContact CG-NE2 3.98Å; Y48-H53 AromaticContact CZ-CE1 3.64Å; Y48-H53 PolarHBondContact O-NE2 2.98Å
49	K	98.6	Very high	97.9	Very high	146 Å²	146	96.1 Å²	96.1	64%	0.635	47%	0.472	S	S	*	.	H	α-helix	trans	-77.1	-38.3	-179.1	-175.8	173.6	178.8	-171.9	0	113.8	E45 R46 E47	E45-K49 VanDerWaalsContact O-CB 3.31Å; E45-K49 WeakPolarHBondContact O-CB 3.5Å; E45-K49 PolarHBondContact O-N 2.97Å; R46-K49 PolarHBondContact O-N 3.34Å; E47-K49 PolarHBondContact O-N 3.23Å
50	Y	98.4	Very high	97.9	Very high	171 Å²	171	93.8 Å²	93.8	67%	0.671	46%	0.458	S	S	*	.	H	α-helix	trans	-113.2	-20.9	-167.1	-62.3	-68.3	0	0	0	114.4	R46 E47	R46-Y50 HydrophobicContact CG-CD2 3.8Å; R46-Y50 HydrophobicContact CG-CE2 4.09Å; R46-Y50 VanDerWaalsContact O-CD2 3.22Å; R46-Y50 WeakPolarHBondContact O-CD2 3.21Å; R46-Y50 PolarHBondContact O-N 2.79Å; R46-Y50 VanDerWaalsContact O-N 3.09Å; E47-Y50 PolarHBondContact O-N 2.78Å
51	G	98.4	Very high	98	Very high	39 Å²	39	93.6 Å²	93.6	40%	0.402	46%	0.457	S	S	.	.	S	Bend	trans	-93.1	160.4	177.3	0	0	0	0	0	112.8	E47 H53	E47-G51 WeakPolarHBondContact O-CA 3.3Å; E47-G51 PolarHBondContact O-N 3.09Å; G51-H53 PolarHBondContact O-CD2 3.27Å
52	A	98.4	Very high	98	Very high	83 Å²	83	91.5 Å²	91.5	69%	0.686	45%	0.451	S	S	*	.			trans	-71.5	149.8	167.5	0	0	0	0	0	110.6	N54	A52-N54 VanDerWaalsContact C-N 3.29Å; A52-N54 PolarHBondContact O-N 2.88Å; A52-N54 PolarHBondContact O-OD1 2.91Å
53	H	98.1	Very high	98	Very high	120 Å²	120	95.8 Å²	95.8	56%	0.556	47%	0.469	S	S	*	.	S	Bend	trans	-94.9	43.7	-175.3	-57.7	171	0	0	0	112.6	Y48 G51 Y55	Y48-H53 AromaticContact CD2-CE1 3.61Å; Y48-H53 AromaticContact CD2-NE2 3.69Å; Y48-H53 AromaticContact CE2-CE1 3.34Å; Y48-H53 WeakPolarHBondContact CE2-CE1 3.49Å; Y48-H53 AromaticContact CE2-ND1 3.82Å; Y48-H53 AromaticContact CE2-NE2 3.92Å; Y48-H53 AromaticContact CG-NE2 3.98Å; Y48-H53 AromaticContact CZ-CE1 3.64Å; Y48-H53 PolarHBondContact O-NE2 2.98Å; G51-H53 PolarHBondContact O-CD2 3.27Å; H53-Y55 VanDerWaalsContact C-N 3.35Å
54	N	96.9	Very high	98	Very high	118 Å²	118	100.2 Å²	100.2	63%	0.631	48%	0.484	S	S	*	.			trans	-89.4	0.6	-177.6	62.7	-72.7	0	0	0	113.7	A52	A52-N54 VanDerWaalsContact C-N 3.29Å; A52-N54 PolarHBondContact O-N 2.88Å; A52-N54 PolarHBondContact O-OD1 2.91Å
55	Y	96.6	Very high	98	Very high	160 Å²	160	98 Å²	98	63%	0.627	48%	0.478	S	S	*	.			trans	-127.8	152.4	172.3	-83.5	-85.2	0	0	0	110.4	H53	H53-Y55 VanDerWaalsContact C-N 3.35Å
56	H	95.4	Very high	98	Very high	141 Å²	141	99 Å²	99	65%	0.653	48%	0.481	S	S	*	.			trans	-120.5	83.5	167	-173.7	-83	0	0	0	108.7	W391	H56-W391 AromaticContact CE1-CH2 3.75Å; H56-W391 AromaticContact CE1-CZ2 3.64Å; H56-W391 AromaticContact ND1-CH2 3.5Å; H56-W391 WeakPolarHBondContact ND1-CH2 3.29Å; H56-W391 AromaticContact ND1-CZ2 3.9Å
57	P	97.1	Very high	98	Very high	84 Å²	84	94 Å²	94	55%	0.545	47%	0.47	S	S	.	.			trans	-70.7	154.7	-172.8	-18.2	33	0	0	0	113.2
58	L	96.7	Very high	98	Very high	28 Å²	28	88.1 Å²	88.1	15%	0.147	44%	0.442	C	S	.	.			trans	-64.4	131.4	164.7	-166.6	73.6	0	0	0	108	V60 W391 C394 L395 R398 L403	L58-V60 PolarHBondContact O-N 3.37Å; L58-W391 HydrophobicContact CD1-CH2 4.12Å; L58-W391 HydrophobicContact CD1-CZ2 4.29Å; L58-W391 HydrophobicContact CD1-CZ3 4.3Å; L58-C394 HydrophobicContact CD1-CB 4.31Å; L58-L395 HydrophobicContact CD1-CD2 3.79Å; L58-L395 HydrophobicContact CD1-CG 4.36Å; L58-R398 HydrophobicContact CD2-CB 4.18Å; L58-L403 HydrophobicContact CD2-CD2 4.26Å
59	P	97.9	Very high	98.1	Very high	49 Å²	49	82 Å²	82	32%	0.318	42%	0.419	S	S	.	.	S	Bend	trans	-75	87.7	-171.3	18.8	-19.9	0	0	0	111.7	F44 L395 R398	F44-P59 HydrophobicContact CE2-CB 4.11Å; F44-P59 HydrophobicContact CZ-CB 4.19Å; P59-L395 HydrophobicContact CG-CD2 4.09Å; P59-R398 PolarHBondContact O-NH1 3.35Å
60	V	98.5	Very high	98.1	Very high	22 Å²	22	75.9 Å²	75.9	13%	0.133	39%	0.393	C	S	.	.			trans	-148.5	121.2	175.4	-175.9	0	0	0	0	108.6	L58 V62 D72 Y78 R398 L403	L58-V60 PolarHBondContact O-N 3.37Å; V60-V62 HydrophobicContact CG1-CG2 3.83Å; V60-V62 PolarHBondContact O-N 2.93Å; V60-D72 HydrophobicContact CG1-CB 4.12Å; V60-Y78 HydrophobicContact CG1-CE2 4.08Å; V60-R398 HydrophobicContact CG2-CG 3.54Å; V60-L403 HydrophobicContact CG1-CD1 4.28Å; V60-L403 HydrophobicContact CG2-CD2 3.85Å
61	A	98.6	Very high	98.1	Very high	9 Å²	9	69.9 Å²	69.9	7%	0.074	37%	0.369	C	S	.	.			trans	-94.5	88.8	176.1	0	0	0	0	0	111	I43 F44 D72 V73	I43-A61 HydrophobicContact CB-CB 4.25Å; I43-A61 HydrophobicContact CD1-CB 3.71Å; I43-A61 HydrophobicContact CG2-CB 4.15Å; F44-A61 HydrophobicContact CE1-CB 3.9Å; F44-A61 HydrophobicContact CZ-CB 4.34Å; A61-D72 CarbonylContact O-C 3.48Å; A61-D72 WeakPolarHBondContact O-CA 3.46Å; A61-D72 WeakPolarHBondContact O-CB 3.33Å; A61-V73 HydrophobicContact CB-CG2 4.04Å; A61-V73 PolarHBondContact O-N 3.36Å
62	V	98.6	Very high	98.1	Very high	66 Å²	66	68.1 Å²	68.1	40%	0.4	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.2	-178.1	-180	0	0	0	0	111.5	V60 L70 L403	V60-V62 HydrophobicContact CG1-CG2 3.83Å; V60-V62 PolarHBondContact O-N 2.93Å; V62-L70 HydrophobicContact CG1-CB 4.01Å; V62-L70 HydrophobicContact CG1-CD1 4.45Å; V62-L70 HydrophobicContact CG1-CD2 3.6Å; V62-L70 HydrophobicContact CG1-CG 4.2Å; V62-L70 HydrophobicContact CG2-CB 4.47Å; V62-L70 HydrophobicContact CG2-CD1 4.41Å; V62-L403 HydrophobicContact CG2-CD1 4.36Å
63	E	98.6	Very high	98.1	Very high	148 Å²	148	66 Å²	66	69%	0.692	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	-35.7	177.1	-169.9	-174.4	168.7	0	0	112.7	W71 V73	E63-W71 PolarHBondContact N-O 3.38Å; E63-V73 HydrophobicContact CB-CG1 3.93Å; E63-V73 HydrophobicContact CG-CG1 4.46Å
64	R	98.7	Very high	98.1	Very high	119 Å²	119	64.4 Å²	64.4	45%	0.449	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.2	-171.5	-174.4	171.9	60.8	73	0	111.8	L70 W71	R64-L70 CarbonylContact O-C 3.51Å; R64-L70 WeakPolarHBondContact O-CA 3.33Å; R64-W71 HydrophobicContact CB-CB 4.43Å; R64-W71 VanDerWaalsContact CZ-CD2 3.44Å; R64-W71 VanDerWaalsContact CZ-CE3 3.48Å; R64-W71 PolarHBondContact N-O 3.13Å; R64-W71 VanDerWaalsContact N-O 3.17Å; R64-W71 PolarHBondContact O-N 2.83Å
65	G	98.8	Very high	98.2	Very high	14 Å²	14	61.3 Å²	61.3	14%	0.144	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.8	170.6	0	0	0	0	0	111.7	Y69 H92	G65-Y69 WeakPolarHBondContact CA-O 3.29Å; G65-H92 VanDerWaalsContact C-CB 3.44Å
66	K	98.8	Very high	98.3	Very high	139 Å²	139	59.1 Å²	59.1	60%	0.604	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	120	170.2	-173.6	175.1	-178.7	-179.8	0	110.9	I68 Y69 W71 H92	K66-I68 PolarHBondContact O-N 3.42Å; K66-Y69 PolarHBondContact N-O 3.03Å; K66-Y69 PolarHBondContact O-N 2.95Å; K66-Y69 VanDerWaalsContact O-N 3.08Å; K66-W71 HydrophobicContact CB-CH2 4.22Å; K66-W71 HydrophobicContact CB-CZ3 3.85Å; K66-H92 WeakPolarHBondContact CA-O 3.36Å
67	G	98.8	Very high	98.5	Very high	24 Å²	24	57.1 Å²	57.1	25%	0.247	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	60.1	-120.3	-177.9	0	0	0	0	0	110.5	G91 H92	G67-G91 CarbonylContact O-C 3.58Å; G67-G91 VanDerWaalsContact O-CA 3.29Å; G67-G91 WeakPolarHBondContact O-CA 3.29Å; G67-H92 PolarHBondContact N-O 2.94Å; G67-H92 PolarHBondContact O-CD2 2.81Å; G67-H92 PolarHBondContact O-N 3.46Å
68	I	98.9	Very high	98.5	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.5	179.4	68	-179.7	0	0	0	114.4	K66 F79 D80 P417 V419 I420 E424	K66-I68 PolarHBondContact O-N 3.42Å; I68-F79 HydrophobicContact CD1-CD1 3.74Å; I68-F79 HydrophobicContact CD1-CE1 3.55Å; I68-F79 HydrophobicContact CG1-CD1 4.15Å; I68-F79 HydrophobicContact CG1-CE1 4.31Å; I68-D80 PolarHBondContact O-N 3.27Å; I68-P417 HydrophobicContact CG2-CB 4.15Å; I68-P417 HydrophobicContact CG2-CG 4.39Å; I68-V419 HydrophobicContact CG2-CG2 4Å; I68-I420 HydrophobicContact CD1-CD1 4.19Å; I68-I420 HydrophobicContact CD1-CG1 3.85Å; I68-I420 HydrophobicContact CG2-CB 3.71Å; I68-I420 HydrophobicContact CG2-CG1 4.15Å; I68-E424 HydrophobicContact CD1-CB 3.67Å; I68-E424 HydrophobicContact CD1-CG 3.87Å; I68-E424 WeakPolarHBondContact CD1-OE2 3.31Å
69	Y	98.9	Very high	98.6	Very high	37 Å²	37	52.3 Å²	52.3	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.7	-170.1	-62.9	-70.7	0	0	0	112.6	G65 K66 W71 K77 Y78 F79	G65-Y69 WeakPolarHBondContact CA-O 3.29Å; K66-Y69 PolarHBondContact N-O 3.03Å; K66-Y69 PolarHBondContact O-N 2.95Å; K66-Y69 VanDerWaalsContact O-N 3.08Å; Y69-W71 VanDerWaalsContact CB-CZ3 3.43Å; Y69-W71 HydrophobicContact CD2-CH2 4.31Å; Y69-W71 HydrophobicContact CG-CH2 4.1Å; Y69-W71 HydrophobicContact CG-CZ2 4.5Å; Y69-W71 WeakPolarHBondContact O-CZ3 3.37Å; Y69-K77 HydrophobicContact CD1-CD 3.82Å; Y69-K77 HydrophobicContact CD1-CG 3.92Å; Y69-K77 HydrophobicContact CE1-CD 4.14Å; Y69-K77 HydrophobicContact CG-CD 4.21Å; Y69-K77 HydrophobicContact CG-CG 4.37Å; Y69-Y78 CarbonylContact C-O 3.21Å; Y69-Y78 VanDerWaalsContact CA-O 3.24Å; Y69-Y78 WeakPolarHBondContact CA-O 3.33Å; Y69-F79 HydrophobicContact CD1-CD1 4.11Å; Y69-F79 HydrophobicContact CD1-CE1 4.26Å; Y69-F79 HydrophobicContact CD1-CG 4.49Å; Y69-F79 AromaticContact CE1-CD1 3.58Å; Y69-F79 HydrophobicContact CE1-CD1 3.58Å; Y69-F79 HydrophobicContact CE1-CD2 4.42Å; Y69-F79 AromaticContact CE1-CE1 3.3Å; Y69-F79 HydrophobicContact CE1-CE1 3.3Å; Y69-F79 HydrophobicContact CE1-CE2 4.19Å; Y69-F79 HydrophobicContact CE1-CG 4.15Å; Y69-F79 AromaticContact CE1-CZ 3.64Å; Y69-F79 HydrophobicContact CE1-CZ 3.64Å; Y69-F79 AromaticContact CZ-CE1 3.61Å; Y69-F79 WeakPolarHBondContact OH-CE1 3.31Å
70	L	98.9	Very high	98.7	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.089	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	151.3	167.1	-69.9	168.7	0	0	0	109.9	V62 R64 K77 Y78 D80 L403	V62-L70 HydrophobicContact CG1-CB 4.01Å; V62-L70 HydrophobicContact CG1-CD1 4.45Å; V62-L70 HydrophobicContact CG1-CD2 3.6Å; V62-L70 HydrophobicContact CG1-CG 4.2Å; V62-L70 HydrophobicContact CG2-CB 4.47Å; V62-L70 HydrophobicContact CG2-CD1 4.41Å; R64-L70 CarbonylContact O-C 3.51Å; R64-L70 WeakPolarHBondContact O-CA 3.33Å; L70-K77 CarbonylContact O-C 3.57Å; L70-K77 WeakPolarHBondContact O-CA 3.44Å; L70-Y78 PolarHBondContact N-O 3.37Å; L70-Y78 PolarHBondContact O-N 3.44Å; L70-D80 HydrophobicContact CD1-CB 3.77Å; L70-D80 HydrophobicContact CG-CB 4.13Å; L70-L403 HydrophobicContact CD1-CD1 4.03Å
71	W	98.9	Very high	98.7	Very high	45 Å²	45	49.2 Å²	49.2	17%	0.17	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.1	172.2	-66.7	-101.8	0	0	0	109.8	E63 R64 K66 Y69 R76 K77	E63-W71 PolarHBondContact N-O 3.38Å; R64-W71 HydrophobicContact CB-CB 4.43Å; R64-W71 VanDerWaalsContact CZ-CD2 3.44Å; R64-W71 VanDerWaalsContact CZ-CE3 3.48Å; R64-W71 PolarHBondContact N-O 3.13Å; R64-W71 VanDerWaalsContact N-O 3.17Å; R64-W71 PolarHBondContact O-N 2.83Å; K66-W71 HydrophobicContact CB-CH2 4.22Å; K66-W71 HydrophobicContact CB-CZ3 3.85Å; Y69-W71 VanDerWaalsContact CB-CZ3 3.43Å; Y69-W71 HydrophobicContact CD2-CH2 4.31Å; Y69-W71 HydrophobicContact CG-CH2 4.1Å; Y69-W71 HydrophobicContact CG-CZ2 4.5Å; Y69-W71 WeakPolarHBondContact O-CZ3 3.37Å; W71-R76 VanDerWaalsContact CA-O 3.22Å; W71-R76 WeakPolarHBondContact CA-O 3.48Å; W71-K77 HydrophobicContact CD2-CG 4.37Å; W71-K77 HydrophobicContact CZ2-CD 3.85Å; W71-K77 HydrophobicContact CZ2-CG 3.96Å
72	D	98.8	Very high	98.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.011	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	173.4	172.6	67.6	19.1	0	0	0	112.8	V60 A61 E74 G75 R76 Y78	V60-D72 HydrophobicContact CG1-CB 4.12Å; A61-D72 CarbonylContact O-C 3.48Å; A61-D72 WeakPolarHBondContact O-CA 3.46Å; A61-D72 WeakPolarHBondContact O-CB 3.33Å; D72-E74 PolarHBondContact O-N 3.14Å; D72-E74 WeakPolarHBondContact OD1-CA 3.43Å; D72-E74 PolarHBondContact OD1-N 3.14Å; D72-E74 VanDerWaalsContact OD1-N 3.08Å; D72-G75 WeakPolarHBondContact O-CA 3.38Å; D72-G75 PolarHBondContact O-N 3.4Å; D72-G75 PolarHBondContact OD1-N 3.29Å; D72-R76 PolarHBondContact N-O 2.85Å; D72-R76 VanDerWaalsContact N-O 3.14Å; D72-R76 WeakPolarHBondContact OD1-CB 3.46Å; D72-R76 PolarHBondContact OD1-N 3.43Å; D72-R76 IonicContact OD1-NE 2.69Å; D72-R76 WeakPolarHBondContact OD2-CB 3.27Å; D72-R76 IonicContact OD2-CZ 3.38Å; D72-R76 IonicContact OD2-NE 3.18Å; D72-R76 PolarHBondContact OD2-NE 3.03Å; D72-R76 IonicContact OD2-NH2 2.76Å; D72-R76 PolarHBondContact OD2-NH2 2.93Å; D72-Y78 HydrophobicContact CB-CE2 4.01Å; D72-Y78 WeakPolarHBondContact OD2-CE2 3.28Å; D72-Y78 PolarHBondContact OD2-OH 2.91Å
73	V	98.4	Very high	98.7	Very high	39 Å²	39	47 Å²	47	24%	0.236	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.8	179.2	-63.5	0	0	0	0	113.6	I43 A61 E63 G75	I43-V73 HydrophobicContact CD1-CB 4.4Å; I43-V73 HydrophobicContact CD1-CG1 3.67Å; I43-V73 HydrophobicContact CD1-CG2 4Å; A61-V73 HydrophobicContact CB-CG2 4.04Å; A61-V73 PolarHBondContact O-N 3.36Å; E63-V73 HydrophobicContact CB-CG1 3.93Å; E63-V73 HydrophobicContact CG-CG1 4.46Å; V73-G75 VanDerWaalsContact C-N 3.33Å
74	E	98.3	Very high	98.7	Very high	86 Å²	86	42.7 Å²	42.7	40%	0.402	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.1	170.4	-61.9	85.8	-158.3	0	0	113	S40 D72 R76	S40-E74 WeakPolarHBondContact CB-OE1 3.39Å; S40-E74 PolarHBondContact N-OE1 3.42Å; S40-E74 PolarHBondContact OG-OE1 2.74Å; S40-E74 PolarHBondContact OG-OE2 2.98Å; D72-E74 PolarHBondContact O-N 3.14Å; D72-E74 WeakPolarHBondContact OD1-CA 3.43Å; D72-E74 PolarHBondContact OD1-N 3.14Å; D72-E74 VanDerWaalsContact OD1-N 3.08Å; E74-R76 IonicContact OE2-CZ 2.73Å; E74-R76 IonicContact OE2-NH2 2.82Å; E74-R76 PolarHBondContact OE2-NH2 2.79Å
75	G	98.2	Very high	98.6	Very high	52 Å²	52	40.1 Å²	40.1	54%	0.536	21%	0.208	S	C	.	.			trans	82.8	6.5	177.4	0	0	0	0	0	115	D72 V73	D72-G75 WeakPolarHBondContact O-CA 3.38Å; D72-G75 PolarHBondContact O-N 3.4Å; D72-G75 PolarHBondContact OD1-N 3.29Å; V73-G75 VanDerWaalsContact C-N 3.33Å
76	R	98.6	Very high	98.6	Very high	114 Å²	114	39.6 Å²	39.6	43%	0.43	20%	0.202	S	C	.	.			trans	-69.4	136.4	175.9	-63.6	174.9	-75	179.5	-3.6	109.5	W71 D72 E74 Y78	W71-R76 VanDerWaalsContact CA-O 3.22Å; W71-R76 WeakPolarHBondContact CA-O 3.48Å; D72-R76 PolarHBondContact N-O 2.85Å; D72-R76 VanDerWaalsContact N-O 3.14Å; D72-R76 WeakPolarHBondContact OD1-CB 3.46Å; D72-R76 PolarHBondContact OD1-N 3.43Å; D72-R76 IonicContact OD1-NE 2.69Å; D72-R76 WeakPolarHBondContact OD2-CB 3.27Å; D72-R76 IonicContact OD2-CZ 3.38Å; D72-R76 IonicContact OD2-NE 3.18Å; D72-R76 PolarHBondContact OD2-NE 3.03Å; D72-R76 IonicContact OD2-NH2 2.76Å; D72-R76 PolarHBondContact OD2-NH2 2.93Å; E74-R76 IonicContact OE2-CZ 2.73Å; E74-R76 IonicContact OE2-NH2 2.82Å; E74-R76 PolarHBondContact OE2-NH2 2.79Å; R76-Y78 HydrophobicContact CB-CE2 3.78Å; R76-Y78 WeakPolarHBondContact CB-OH 3.33Å; R76-Y78 VanDerWaalsContact CZ-OH 3.27Å; R76-Y78 PolarHBondContact NE-OH 2.84Å; R76-Y78 VanDerWaalsContact NE-OH 3.09Å; R76-Y78 WeakPolarHBondContact O-CD2 3.35Å; R76-Y78 VanDerWaalsContact O-CE2 3.25Å; R76-Y78 WeakPolarHBondContact O-CE2 3.37Å
77	K	98.8	Very high	98.6	Very high	100 Å²	100	33.7 Å²	33.7	44%	0.435	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.4	-179.8	-173.8	-177.5	67.5	157.3	0	109.9	Y69 L70 W71	Y69-K77 HydrophobicContact CD1-CD 3.82Å; Y69-K77 HydrophobicContact CD1-CG 3.92Å; Y69-K77 HydrophobicContact CE1-CD 4.14Å; Y69-K77 HydrophobicContact CG-CD 4.21Å; Y69-K77 HydrophobicContact CG-CG 4.37Å; L70-K77 CarbonylContact O-C 3.57Å; L70-K77 WeakPolarHBondContact O-CA 3.44Å; W71-K77 HydrophobicContact CD2-CG 4.37Å; W71-K77 HydrophobicContact CZ2-CD 3.85Å; W71-K77 HydrophobicContact CZ2-CG 3.96Å
78	Y	98.9	Very high	98.6	Very high	5 Å²	5	33 Å²	33	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.4	176.9	-49.9	-94	0	0	0	112	V60 Y69 L70 D72 R76 R398 G401 L403	V60-Y78 HydrophobicContact CG1-CE2 4.08Å; Y69-Y78 CarbonylContact C-O 3.21Å; Y69-Y78 VanDerWaalsContact CA-O 3.24Å; Y69-Y78 WeakPolarHBondContact CA-O 3.33Å; L70-Y78 PolarHBondContact N-O 3.37Å; L70-Y78 PolarHBondContact O-N 3.44Å; D72-Y78 HydrophobicContact CB-CE2 4.01Å; D72-Y78 WeakPolarHBondContact OD2-CE2 3.28Å; D72-Y78 PolarHBondContact OD2-OH 2.91Å; R76-Y78 HydrophobicContact CB-CE2 3.78Å; R76-Y78 WeakPolarHBondContact CB-OH 3.33Å; R76-Y78 VanDerWaalsContact CZ-OH 3.27Å; R76-Y78 PolarHBondContact NE-OH 2.84Å; R76-Y78 VanDerWaalsContact NE-OH 3.09Å; R76-Y78 WeakPolarHBondContact O-CD2 3.35Å; R76-Y78 VanDerWaalsContact O-CE2 3.25Å; R76-Y78 WeakPolarHBondContact O-CE2 3.37Å; Y78-R398 HydrophobicContact CE1-CG 3.97Å; Y78-R398 WeakPolarHBondContact CE1-O 3.32Å; Y78-G401 CarbonylContact C-O 3.36Å; Y78-G401 WeakPolarHBondContact CA-O 3.42Å; Y78-L403 HydrophobicContact CD1-CD2 3.64Å; Y78-L403 HydrophobicContact CD1-CG 4Å; Y78-L403 HydrophobicContact CD2-CD1 4.4Å; Y78-L403 HydrophobicContact CE1-CD2 4.11Å; Y78-L403 HydrophobicContact CG-CD1 4.12Å; Y78-L403 HydrophobicContact CG-CD2 4Å; Y78-L403 HydrophobicContact CG-CG 3.87Å
79	F	98.9	Very high	98.6	Very high	5 Å²	5	32.7 Å²	32.7	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.7	157.4	-72.1	-79.2	0	0	0	109.7	I68 Y69 F81 G401 L402 L403 E424 E427 S428 I431	I68-F79 HydrophobicContact CD1-CD1 3.74Å; I68-F79 HydrophobicContact CD1-CE1 3.55Å; I68-F79 HydrophobicContact CG1-CD1 4.15Å; I68-F79 HydrophobicContact CG1-CE1 4.31Å; Y69-F79 HydrophobicContact CD1-CD1 4.11Å; Y69-F79 HydrophobicContact CD1-CE1 4.26Å; Y69-F79 HydrophobicContact CD1-CG 4.49Å; Y69-F79 AromaticContact CE1-CD1 3.58Å; Y69-F79 HydrophobicContact CE1-CD1 3.58Å; Y69-F79 HydrophobicContact CE1-CD2 4.42Å; Y69-F79 AromaticContact CE1-CE1 3.3Å; Y69-F79 HydrophobicContact CE1-CE1 3.3Å; Y69-F79 HydrophobicContact CE1-CE2 4.19Å; Y69-F79 HydrophobicContact CE1-CG 4.15Å; Y69-F79 AromaticContact CE1-CZ 3.64Å; Y69-F79 HydrophobicContact CE1-CZ 3.64Å; Y69-F79 AromaticContact CZ-CE1 3.61Å; Y69-F79 WeakPolarHBondContact OH-CE1 3.31Å; F79-F81 HydrophobicContact CB-CD2 3.87Å; F79-F81 HydrophobicContact CB-CE2 3.85Å; F79-F81 HydrophobicContact CG-CE2 4.41Å; F79-G401 PolarHBondContact N-O 3.4Å; F79-L402 HydrophobicContact CB-CB 4.48Å; F79-L402 HydrophobicContact CB-CD1 4.44Å; F79-L402 HydrophobicContact CB-CG 4.21Å; F79-L403 PolarHBondContact O-N 3.27Å; F79-E424 HydrophobicContact CE1-CB 4.1Å; F79-E427 HydrophobicContact CE2-CG 3.99Å; F79-E427 HydrophobicContact CZ-CB 4.28Å; F79-E427 HydrophobicContact CZ-CG 4.12Å; F79-S428 WeakPolarHBondContact CD1-OG 3.18Å; F79-S428 WeakPolarHBondContact CG-OG 3.2Å; F79-I431 HydrophobicContact CD2-CD1 3.98Å; F79-I431 HydrophobicContact CE2-CD1 4.02Å
80	D	98.9	Very high	98.6	Very high	6 Å²	6	31 Å²	31	3%	0.032	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.6	172.3	-177.7	4.5	0	0	0	110.1	I68 L70 L82 S83 H92 P416 P417	I68-D80 PolarHBondContact O-N 3.27Å; L70-D80 HydrophobicContact CD1-CB 3.77Å; L70-D80 HydrophobicContact CG-CB 4.13Å; D80-L82 WeakPolarHBondContact OD1-CA 3.48Å; D80-L82 PolarHBondContact OD1-N 2.82Å; D80-S83 PolarHBondContact OD1-N 3.25Å; D80-S83 WeakPolarHBondContact OD2-CA 3.24Å; D80-S83 PolarHBondContact OD2-N 3.42Å; D80-H92 IonicContact OD2-CD2 2.73Å; D80-H92 IonicContact OD2-CE1 3.67Å; D80-H92 PolarHBondContact OD2-CE1 2.97Å; D80-H92 IonicContact OD2-NE2 3.59Å; D80-H92 PolarHBondContact OD2-NE2 3.19Å; D80-P416 WeakPolarHBondContact O-CA 3.24Å; D80-P417 WeakPolarHBondContact O-CD 3.39Å
81	F	98.8	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-107.9	14.2	176.1	-90.5	-115.2	0	0	0	112.6	F79 L402 L403 A404 F414 A415 P416 I420 L425 S428 I432	F79-F81 HydrophobicContact CB-CD2 3.87Å; F79-F81 HydrophobicContact CB-CE2 3.85Å; F79-F81 HydrophobicContact CG-CE2 4.41Å; F81-L402 HydrophobicContact CB-CD2 3.77Å; F81-L402 HydrophobicContact CB-CG 4.27Å; F81-L402 HydrophobicContact CD1-CD1 4.34Å; F81-L402 HydrophobicContact CD2-CD1 3.69Å; F81-L402 HydrophobicContact CD2-CD2 4.18Å; F81-L402 HydrophobicContact CD2-CG 3.76Å; F81-L402 HydrophobicContact CE1-CD1 4.44Å; F81-L402 HydrophobicContact CE2-CD1 3.82Å; F81-L402 HydrophobicContact CE2-CG 4.35Å; F81-L402 HydrophobicContact CG-CD1 3.99Å; F81-L402 HydrophobicContact CG-CD2 3.91Å; F81-L402 HydrophobicContact CG-CG 4.01Å; F81-L402 HydrophobicContact CZ-CD1 4.21Å; F81-L403 CarbonylContact C-O 2.98Å; F81-L403 VanDerWaalsContact CA-O 3.32Å; F81-L403 WeakPolarHBondContact CA-O 3.28Å; F81-L403 WeakPolarHBondContact CB-O 3.44Å; F81-L403 PolarHBondContact N-O 2.96Å; F81-A404 HydrophobicContact CB-CB 4.37Å; F81-F414 HydrophobicContact CB-CD1 4.3Å; F81-F414 HydrophobicContact CD1-CB 3.96Å; F81-F414 AromaticContact CD1-CD1 3.75Å; F81-F414 HydrophobicContact CD1-CD1 3.75Å; F81-F414 HydrophobicContact CD1-CG 4.24Å; F81-F414 HydrophobicContact CG-CD1 4.42Å; F81-A415 CarbonylContact C-O 2.95Å; F81-A415 CarbonylContact O-C 3.58Å; F81-A415 PolarHBondContact O-N 3.28Å; F81-P416 HydrophobicContact CD1-CB 4.3Å; F81-P416 HydrophobicContact CD1-CG 4.29Å; F81-P416 HydrophobicContact CD2-CB 4.05Å; F81-P416 HydrophobicContact CE1-CB 4.2Å; F81-P416 HydrophobicContact CE1-CG 3.98Å; F81-P416 HydrophobicContact CE2-CB 3.93Å; F81-P416 HydrophobicContact CG-CB 4.22Å; F81-P416 HydrophobicContact CZ-CB 3.99Å; F81-P416 HydrophobicContact CZ-CG 4.07Å; F81-I420 HydrophobicContact CE2-CD1 4.3Å; F81-I420 HydrophobicContact CZ-CD1 4.25Å; F81-L425 HydrophobicContact CZ-CD1 4.29Å; F81-S428 VanDerWaalsContact CE2-CB 3.47Å; F81-S428 VanDerWaalsContact CE2-OG 3.29Å; F81-S428 WeakPolarHBondContact CE2-OG 3.25Å; F81-S428 WeakPolarHBondContact CZ-OG 3.15Å; F81-I432 HydrophobicContact CD1-CD1 4.32Å; F81-I432 HydrophobicContact CE1-CD1 4.02Å
82	L	98.5	Very high	98.6	Very high	30 Å²	30	29.2 Å²	29.2	16%	0.157	16%	0.155	C	C	.	.	S	Bend	trans	-105.3	-33.1	169.1	-176.1	60.9	0	0	0	111.7	D80 S84 Y85 S86 K405 A415	D80-L82 WeakPolarHBondContact OD1-CA 3.48Å; D80-L82 PolarHBondContact OD1-N 2.82Å; L82-S84 PolarHBondContact O-N 3.41Å; L82-Y85 HydrophobicContact CD1-CD1 3.78Å; L82-Y85 HydrophobicContact CD1-CE1 3.89Å; L82-Y85 HydrophobicContact CD1-CG 4.32Å; L82-Y85 HydrophobicContact CD2-CE1 4.35Å; L82-Y85 HydrophobicContact CD2-CE2 4.29Å; L82-Y85 HydrophobicContact CG-CD1 4.47Å; L82-Y85 WeakPolarHBondContact O-CA 3.47Å; L82-Y85 PolarHBondContact O-N 3.27Å; L82-S86 PolarHBondContact O-N 2.93Å; L82-K405 HydrophobicContact CD1-CB 4.26Å; L82-K405 HydrophobicContact CD2-CB 4.33Å; L82-A415 CarbonylContact C-O 3.44Å
83	S	98.4	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	53	39.1	-175.1	-59.4	0	0	0	0	113	D80 Y85 S86 A87 V88 A415 P416 P417	D80-S83 PolarHBondContact OD1-N 3.25Å; D80-S83 WeakPolarHBondContact OD2-CA 3.24Å; D80-S83 PolarHBondContact OD2-N 3.42Å; S83-Y85 PolarHBondContact O-N 3.17Å; S83-S86 CarbonylContact O-C 3.55Å; S83-S86 WeakPolarHBondContact O-CA 3.36Å; S83-S86 PolarHBondContact O-N 2.9Å; S83-A87 PolarHBondContact O-N 3.08Å; S83-V88 WeakPolarHBondContact O-CG2 3.5Å; S83-V88 PolarHBondContact O-N 3Å; S83-A415 VanDerWaalsContact CB-O 3.25Å; S83-A415 WeakPolarHBondContact CB-O 3.45Å; S83-A415 PolarHBondContact N-O 3.36Å; S83-A415 PolarHBondContact OG-O 2.91Å; S83-P416 WeakPolarHBondContact OG-CA 3.39Å; S83-P416 PolarHBondContact OG-O 3.45Å; S83-P417 WeakPolarHBondContact OG-CD 3.47Å; S83-P417 WeakPolarHBondContact OG-CG 3.5Å
84	S	97.9	Very high	98.6	Very high	56 Å²	56	32.3 Å²	32.3	39%	0.392	18%	0.175	S	C	.	.	H	α-helix	trans	48.7	48.7	-173	-58.1	0	0	0	0	111.8	L82 A87	L82-S84 PolarHBondContact O-N 3.41Å; S84-A87 VanDerWaalsContact O-CB 3.24Å; S84-A87 WeakPolarHBondContact O-CB 3.28Å; S84-A87 PolarHBondContact O-N 2.94Å
85	Y	97.9	Very high	98.7	Very high	65 Å²	65	32.1 Å²	32.1	26%	0.255	18%	0.181	S	C	.	.	H	α-helix	trans	59.9	43.8	-173.9	-52.8	-83.7	0	0	0	113.2	L82 S83 A87 K292 K405	L82-Y85 HydrophobicContact CD1-CD1 3.78Å; L82-Y85 HydrophobicContact CD1-CE1 3.89Å; L82-Y85 HydrophobicContact CD1-CG 4.32Å; L82-Y85 HydrophobicContact CD2-CE1 4.35Å; L82-Y85 HydrophobicContact CD2-CE2 4.29Å; L82-Y85 HydrophobicContact CG-CD1 4.47Å; L82-Y85 WeakPolarHBondContact O-CA 3.47Å; L82-Y85 PolarHBondContact O-N 3.27Å; S83-Y85 PolarHBondContact O-N 3.17Å; Y85-A87 VanDerWaalsContact C-N 3.32Å; Y85-A87 PolarHBondContact O-N 3.36Å; Y85-K292 WeakPolarHBondContact O-CD 3.4Å; Y85-K292 VanDerWaalsContact O-CE 3.27Å; Y85-K292 WeakPolarHBondContact O-CE 3.29Å; Y85-K405 HydrophobicContact CE1-CD 4.36Å; Y85-K405 WeakPolarHBondContact OH-CD 3.47Å; Y85-K405 PolarHBondContact OH-NZ 3.14Å
86	S	98.4	Very high	98.7	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	68.6	13.6	-173.4	-56.6	0	0	0	0	116.3	L82 S83 S89 R271 A293	L82-S86 PolarHBondContact O-N 2.93Å; S83-S86 CarbonylContact O-C 3.55Å; S83-S86 WeakPolarHBondContact O-CA 3.36Å; S83-S86 PolarHBondContact O-N 2.9Å; S86-S89 PolarHBondContact O-OG 2.95Å; S86-R271 PolarHBondContact OG-NE 2.83Å; S86-A293 WeakPolarHBondContact O-CB 3.42Å
87	A	98.8	Very high	98.7	Very high	16 Å²	16	27 Å²	27	13%	0.132	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.6	176.2	0	0	0	0	0	114.7	S83 S84 Y85 K292 A293 G296 G297	S83-A87 PolarHBondContact O-N 3.08Å; S84-A87 VanDerWaalsContact O-CB 3.24Å; S84-A87 WeakPolarHBondContact O-CB 3.28Å; S84-A87 PolarHBondContact O-N 2.94Å; Y85-A87 VanDerWaalsContact C-N 3.32Å; Y85-A87 PolarHBondContact O-N 3.36Å; A87-K292 HydrophobicContact CB-CB 3.99Å; A87-K292 HydrophobicContact CB-CG 4.48Å; A87-A293 WeakPolarHBondContact O-CA 3.22Å; A87-G296 CarbonylContact O-C 3.58Å; A87-G297 PolarHBondContact O-N 3.18Å
88	V	98.8	Very high	98.7	Very high	8 Å²	8	23.9 Å²	23.9	5%	0.048	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	46.9	177.3	-65.6	0	0	0	0	111.6	S83 Q90 G91 P417	S83-V88 WeakPolarHBondContact O-CG2 3.5Å; S83-V88 PolarHBondContact O-N 3Å; V88-Q90 PolarHBondContact O-N 3.29Å; V88-Q90 VanDerWaalsContact O-N 3.15Å; V88-G91 WeakPolarHBondContact O-CA 3.32Å; V88-G91 PolarHBondContact O-N 3.45Å; V88-P417 HydrophobicContact CG2-CG 4.48Å; V88-P417 WeakPolarHBondContact O-CB 3.35Å
89	S	98.9	Very high	98.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-34.7	175.5	-75.7	0	0	0	0	112.7	S86 G91 R271 L418	S86-S89 PolarHBondContact O-OG 2.95Å; S89-G91 PolarHBondContact O-N 2.81Å; S89-R271 PolarHBondContact OG-NH2 2.74Å; S89-L418 WeakPolarHBondContact O-CA 3.48Å; S89-L418 WeakPolarHBondContact O-CB 3.44Å; S89-L418 PolarHBondContact O-N 3.34Å
90	Q	98.9	Very high	98.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1	177	-59	89.1	-25.6	0	0	113.7	V88 H94 I97 A293 G296 A336 V339 L340 V419	V88-Q90 PolarHBondContact O-N 3.29Å; V88-Q90 VanDerWaalsContact O-N 3.15Å; Q90-H94 HydrophobicContact CB-CB 4.35Å; Q90-H94 PolarHBondContact O-CD2 2.81Å; Q90-I97 HydrophobicContact CB-CD1 3.85Å; Q90-I97 HydrophobicContact CG-CD1 3.95Å; Q90-A293 PolarHBondContact NE2-O 3.03Å; Q90-A293 PolarHBondContact OE1-O 3.43Å; Q90-G296 VanDerWaalsContact OE1-CA 3.25Å; Q90-A336 PolarHBondContact NE2-O 2.91Å; Q90-V339 HydrophobicContact CB-CG1 3.88Å; Q90-V339 HydrophobicContact CG-CB 4.03Å; Q90-V339 HydrophobicContact CG-CG1 3.67Å; Q90-L340 HydrophobicContact CG-CD2 4.09Å; Q90-L340 HydrophobicContact CG-CG 4.25Å; Q90-V419 WeakPolarHBondContact O-CG1 3.48Å
91	G	98.8	Very high	98.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	18%	0.177	C	C	.	.			trans	81.6	155.2	-171.9	0	0	0	0	0	113.4	G67 V88 S89 C93	G67-G91 CarbonylContact O-C 3.58Å; G67-G91 VanDerWaalsContact O-CA 3.29Å; G67-G91 WeakPolarHBondContact O-CA 3.29Å; V88-G91 WeakPolarHBondContact O-CA 3.32Å; V88-G91 PolarHBondContact O-N 3.45Å; S89-G91 PolarHBondContact O-N 2.81Å; G91-C93 PolarHBondContact O-N 2.86Å
92	H	98.9	Very high	98.7	Very high	23 Å²	23	36.7 Å²	36.7	11%	0.106	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-61.2	132.8	-179.7	-70.3	-81	0	0	0	111.6	G65 K66 G67 D80 H94	G65-H92 VanDerWaalsContact C-CB 3.44Å; K66-H92 WeakPolarHBondContact CA-O 3.36Å; G67-H92 PolarHBondContact N-O 2.94Å; G67-H92 PolarHBondContact O-CD2 2.81Å; G67-H92 PolarHBondContact O-N 3.46Å; D80-H92 IonicContact OD2-CD2 2.73Å; D80-H92 IonicContact OD2-CE1 3.67Å; D80-H92 PolarHBondContact OD2-CE1 2.97Å; D80-H92 IonicContact OD2-NE2 3.59Å; D80-H92 PolarHBondContact OD2-NE2 3.19Å; H92-H94 VanDerWaalsContact C-N 3.29Å; H92-H94 PolarHBondContact O-N 3.41Å
93	C	98.7	Very high	98.7	Very high	77 Å²	77	38.3 Å²	38.3	52%	0.52	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	42.4	175.2	-58.3	0	0	0	0	113.7	G91 V98	G91-C93 PolarHBondContact O-N 2.86Å; C93-V98 HydrophobicContact CB-CG2 4.22Å
94	H	98.9	Very high	98.7	Very high	29 Å²	29	38.9 Å²	38.9	13%	0.134	22%	0.219	C	C	.	.			trans	-52.5	122.7	179.3	-169.4	-89.3	0	0	0	111.4	Q90 H92 K96 I97 V98 V339 E343	Q90-H94 HydrophobicContact CB-CB 4.35Å; Q90-H94 PolarHBondContact O-CD2 2.81Å; H92-H94 VanDerWaalsContact C-N 3.29Å; H92-H94 PolarHBondContact O-N 3.41Å; H94-K96 VanDerWaalsContact C-N 3.3Å; H94-K96 PolarHBondContact ND1-N 3.31Å; H94-K96 PolarHBondContact O-N 3.45Å; H94-I97 HydrophobicContact CB-CD1 3.82Å; H94-I97 HydrophobicContact CB-CG1 3.95Å; H94-I97 PolarHBondContact O-N 2.72Å; H94-V98 WeakPolarHBondContact O-CG2 3.36Å; H94-V98 PolarHBondContact O-N 3.45Å; H94-V339 VanDerWaalsContact CE1-CG2 3.47Å; H94-V339 WeakPolarHBondContact CE1-CG2 3.37Å; H94-V339 WeakPolarHBondContact ND1-CG2 3.32Å; H94-E343 IonicContact CE1-OE1 3.85Å; H94-E343 PolarHBondContact CE1-OE1 2.95Å; H94-E343 IonicContact NE2-OE1 2.58Å; H94-E343 PolarHBondContact NE2-OE1 2.92Å
95	P	98.9	Very high	98.8	Very high	83 Å²	83	39.3 Å²	39.3	54%	0.539	22%	0.219	S	C	.	.	H	α-helix	trans	-56.8	-39.4	-168.8	-28.3	34.9	0	0	0	114.2	I97 V98 N99	P95-I97 VanDerWaalsContact C-N 3.34Å; P95-I97 PolarHBondContact O-N 2.85Å; P95-V98 PolarHBondContact O-N 2.86Å; P95-N99 VanDerWaalsContact O-CB 3.32Å; P95-N99 WeakPolarHBondContact O-CB 3.25Å; P95-N99 PolarHBondContact O-N 2.82Å; P95-N99 PolarHBondContact O-ND2 3.21Å
96	K	98.9	Very high	98.8	Very high	59 Å²	59	43.1 Å²	43.1	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-43.2	178.5	-171.2	175.9	178.2	-170.6	0	111.9	H94 N99 A100 E338 V339 E342	H94-K96 VanDerWaalsContact C-N 3.3Å; H94-K96 PolarHBondContact ND1-N 3.31Å; H94-K96 PolarHBondContact O-N 3.45Å; K96-N99 PolarHBondContact O-N 3.08Å; K96-A100 PolarHBondContact O-N 2.97Å; K96-E338 WeakPolarHBondContact CE-OE2 3.42Å; K96-E338 IonicContact NZ-OE2 2.92Å; K96-E338 PolarHBondContact NZ-OE2 3.13Å; K96-V339 HydrophobicContact CB-CG2 4.04Å; K96-V339 HydrophobicContact CD-CG2 3.87Å; K96-V339 HydrophobicContact CG-CG2 4.35Å; K96-E342 IonicContact NZ-OE1 3.97Å; K96-E342 PolarHBondContact NZ-OE1 2.77Å; K96-E342 IonicContact NZ-OE2 2.73Å; K96-E342 PolarHBondContact NZ-OE2 2.81Å
97	I	98.9	Very high	98.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-75.3	-40.8	-177.2	-42.1	176.9	0	0	0	110.2	Q90 H94 P95 N99 A100 L101 L298 V332 A336 V339	Q90-I97 HydrophobicContact CB-CD1 3.85Å; Q90-I97 HydrophobicContact CG-CD1 3.95Å; H94-I97 HydrophobicContact CB-CD1 3.82Å; H94-I97 HydrophobicContact CB-CG1 3.95Å; H94-I97 PolarHBondContact O-N 2.72Å; P95-I97 VanDerWaalsContact C-N 3.34Å; P95-I97 PolarHBondContact O-N 2.85Å; I97-N99 VanDerWaalsContact C-N 3.31Å; I97-N99 PolarHBondContact O-N 3.03Å; I97-A100 PolarHBondContact O-N 3.02Å; I97-L101 PolarHBondContact O-N 2.94Å; I97-L298 HydrophobicContact CB-CD2 4.07Å; I97-L298 HydrophobicContact CG2-CD1 4.44Å; I97-L298 HydrophobicContact CG2-CD2 3.84Å; I97-V332 HydrophobicContact CG2-CG1 3.74Å; I97-A336 HydrophobicContact CD1-CB 3.88Å; I97-A336 HydrophobicContact CG1-CB 4.44Å; I97-A336 HydrophobicContact CG2-CB 4.31Å; I97-V339 HydrophobicContact CD1-CG2 4.43Å; I97-V339 HydrophobicContact CG1-CG2 4.07Å
98	V	98.9	Very high	98.8	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-58.9	-43.3	173.7	173.2	0	0	0	0	111	C93 H94 P95 L101 K102 L298	C93-V98 HydrophobicContact CB-CG2 4.22Å; H94-V98 WeakPolarHBondContact O-CG2 3.36Å; H94-V98 PolarHBondContact O-N 3.45Å; P95-V98 PolarHBondContact O-N 2.86Å; V98-L101 WeakPolarHBondContact O-CB 3.22Å; V98-L101 PolarHBondContact O-N 3.17Å; V98-K102 HydrophobicContact CG1-CD 4.1Å; V98-K102 HydrophobicContact CG1-CG 4.45Å; V98-K102 WeakPolarHBondContact O-CG 3.41Å; V98-K102 PolarHBondContact O-N 2.93Å; V98-L298 HydrophobicContact CB-CD2 4.32Å; V98-L298 HydrophobicContact CG2-CD2 3.8Å
99	N	98.9	Very high	98.8	Very high	97 Å²	97	54.9 Å²	54.9	52%	0.519	30%	0.298	S	S	.	.	H	α-helix	trans	-67.9	-37.7	178.8	-71.4	-18.1	0	0	0	112.2	P95 K96 I97 L101 K102 S103	P95-N99 VanDerWaalsContact O-CB 3.32Å; P95-N99 WeakPolarHBondContact O-CB 3.25Å; P95-N99 PolarHBondContact O-N 2.82Å; P95-N99 PolarHBondContact O-ND2 3.21Å; K96-N99 PolarHBondContact O-N 3.08Å; I97-N99 VanDerWaalsContact C-N 3.31Å; I97-N99 PolarHBondContact O-N 3.03Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-K102 PolarHBondContact O-N 3Å; N99-S103 VanDerWaalsContact O-CB 3.31Å; N99-S103 WeakPolarHBondContact O-CB 3.25Å; N99-S103 PolarHBondContact O-N 2.81Å
100	A	98.9	Very high	98.8	Very high	22 Å²	22	57.8 Å²	57.8	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-43.5	173.2	0	0	0	0	0	111.7	K96 I97 Q104 A335	K96-A100 PolarHBondContact O-N 2.97Å; I97-A100 PolarHBondContact O-N 3.02Å; A100-Q104 WeakPolarHBondContact O-CB 3.31Å; A100-Q104 PolarHBondContact O-N 2.9Å; A100-Q104 VanDerWaalsContact O-N 3.14Å; A100-A335 HydrophobicContact CB-CB 3.56Å
101	L	98.8	Very high	98.8	Very high	43 Å²	43	59 Å²	59	23%	0.225	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-52.8	174.3	-174.2	142.7	0	0	0	111.4	I97 V98 N99 S103 Q104 V105 L298 L328 V332	I97-L101 PolarHBondContact O-N 2.94Å; V98-L101 WeakPolarHBondContact O-CB 3.22Å; V98-L101 PolarHBondContact O-N 3.17Å; N99-L101 VanDerWaalsContact C-N 3.34Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.9Å; L101-Q104 PolarHBondContact O-N 3.27Å; L101-V105 WeakPolarHBondContact O-CB 3.42Å; L101-V105 PolarHBondContact O-N 3.22Å; L101-L298 HydrophobicContact CB-CD2 4.35Å; L101-L298 HydrophobicContact CD1-CB 4.15Å; L101-L298 HydrophobicContact CD1-CD2 4.25Å; L101-L328 HydrophobicContact CG-CD1 4.16Å; L101-V332 HydrophobicContact CB-CG2 3.78Å; L101-V332 HydrophobicContact CD1-CG2 3.96Å; L101-V332 HydrophobicContact CG-CG2 4.17Å
102	K	98.9	Very high	98.8	Very high	123 Å²	123	61.1 Å²	61.1	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-61	-40.8	-179.7	-73.7	179.7	176.1	-177.1	0	112.5	V98 N99 Q104 V105	V98-K102 HydrophobicContact CG1-CD 4.1Å; V98-K102 HydrophobicContact CG1-CG 4.45Å; V98-K102 WeakPolarHBondContact O-CG 3.41Å; V98-K102 PolarHBondContact O-N 2.93Å; N99-K102 PolarHBondContact O-N 3Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-Q104 PolarHBondContact O-N 3.44Å; K102-V105 WeakPolarHBondContact O-CG1 3.4Å
103	S	98.8	Very high	98.7	Very high	65 Å²	65	65.9 Å²	65.9	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-68.2	-33.4	179.9	-170.8	0	0	0	0	112.8	N99 L101	N99-S103 VanDerWaalsContact O-CB 3.31Å; N99-S103 WeakPolarHBondContact O-CB 3.25Å; N99-S103 PolarHBondContact O-N 2.81Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.9Å
104	Q	98.9	Very high	98.7	Very high	12 Å²	12	66 Å²	66	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-84.7	-33.1	-178.1	-172.9	58.2	47.9	0	0	112.9	A100 L101 K102 D106 K107 L108 L328 R331	A100-Q104 WeakPolarHBondContact O-CB 3.31Å; A100-Q104 PolarHBondContact O-N 2.9Å; A100-Q104 VanDerWaalsContact O-N 3.14Å; L101-Q104 PolarHBondContact O-N 3.27Å; K102-Q104 VanDerWaalsContact C-N 3.33Å; K102-Q104 PolarHBondContact O-N 3.44Å; Q104-D106 VanDerWaalsContact C-N 3.27Å; Q104-D106 PolarHBondContact O-N 2.89Å; Q104-K107 PolarHBondContact O-N 3.07Å; Q104-L108 PolarHBondContact NE2-O 2.83Å; Q104-L108 PolarHBondContact O-N 2.89Å; Q104-L108 VanDerWaalsContact O-N 3.11Å; Q104-L328 HydrophobicContact CB-CD1 3.9Å; Q104-L328 HydrophobicContact CG-CD1 4.08Å; Q104-R331 HydrophobicContact CB-CB 4.02Å; Q104-R331 HydrophobicContact CB-CG 3.84Å; Q104-R331 HydrophobicContact CG-CB 4.05Å; Q104-R331 HydrophobicContact CG-CG 3.59Å; Q104-R331 VanDerWaalsContact OE1-CG 3.27Å
105	V	98.7	Very high	98.6	Very high	64 Å²	64	72 Å²	72	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-63.2	-33.5	-177	72.6	0	0	0	0	112.6	L101 K102 K107 T109 L328	L101-V105 WeakPolarHBondContact O-CB 3.42Å; L101-V105 PolarHBondContact O-N 3.22Å; K102-V105 WeakPolarHBondContact O-CG1 3.4Å; V105-K107 PolarHBondContact O-N 2.71Å; V105-T109 HydrophobicContact CB-CG2 4.32Å; V105-T109 HydrophobicContact CG2-CG2 3.79Å; V105-L328 HydrophobicContact CB-CD1 4.15Å
106	D	98.6	Very high	98.6	Very high	145 Å²	145	79.1 Å²	79.1	78%	0.775	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.4	177.3	-65.8	-33.9	0	0	0	113.5	Q104	Q104-D106 VanDerWaalsContact C-N 3.27Å; Q104-D106 PolarHBondContact O-N 2.89Å
107	K	98.8	Very high	98.6	Very high	156 Å²	156	77.5 Å²	77.5	68%	0.678	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-62.7	-177.5	-64.2	178.1	-176.1	172.9	0	112.1	Q104 V105	Q104-K107 PolarHBondContact O-N 3.07Å; V105-K107 PolarHBondContact O-N 2.71Å
108	L	98.8	Very high	98.6	Very high	64 Å²	64	83.2 Å²	83.2	34%	0.335	43%	0.427	S	S	.	.			trans	-166.4	128.6	-174.6	-175.7	61.9	0	0	0	110.2	Q104 T111 N117 P327	Q104-L108 PolarHBondContact NE2-O 2.83Å; Q104-L108 PolarHBondContact O-N 2.89Å; Q104-L108 VanDerWaalsContact O-N 3.11Å; L108-T111 HydrophobicContact CD1-CG2 4.05Å; L108-T111 HydrophobicContact CD2-CG2 3.65Å; L108-T111 HydrophobicContact CG-CG2 4.1Å; L108-N117 HydrophobicContact CD2-CB 4.38Å; L108-P327 HydrophobicContact CD2-CG 4.36Å; L108-P327 HydrophobicContact CG-CG 4.05Å
109	T	98.8	Very high	98.6	Very high	55 Å²	55	81.7 Å²	81.7	34%	0.337	42%	0.418	S	S	.	.	S	Bend	trans	-111.9	-35.2	-176.1	57.9	0	0	0	0	113.7	V105 N326 P327 L328	V105-T109 HydrophobicContact CB-CG2 4.32Å; V105-T109 HydrophobicContact CG2-CG2 3.79Å; T109-N326 WeakPolarHBondContact O-CB 3.32Å; T109-N326 PolarHBondContact O-OD1 3.35Å; T109-P327 WeakPolarHBondContact O-CD 3.39Å; T109-L328 HydrophobicContact CG2-CB 4.46Å; T109-L328 HydrophobicContact CG2-CD2 4.06Å
110	L	98.8	Very high	98.6	Very high	61 Å²	61	77.8 Å²	77.8	32%	0.319	40%	0.397	S	S	.	.			trans	-151.8	129.7	-174.4	-174.6	65.4	0	0	0	111.4	T322 Y323 N326	L110-T322 WeakPolarHBondContact CD1-O 3.28Å; L110-Y323 HydrophobicContact CD1-CD1 4.02Å; L110-Y323 HydrophobicContact CD1-CE1 4.37Å; L110-Y323 HydrophobicContact CD1-CG 4.43Å; L110-Y323 HydrophobicContact CD2-CD1 4.19Å; L110-Y323 HydrophobicContact CD2-CE1 3.72Å; L110-N326 HydrophobicContact CD1-CB 3.72Å
111	T	98.4	Very high	98.6	Very high	28 Å²	28	78.7 Å²	78.7	17%	0.172	41%	0.408	C	S	.	.			trans	-117.6	-0.7	174.2	51.1	0	0	0	0	112.8	L108 F115 N117	L108-T111 HydrophobicContact CD1-CG2 4.05Å; L108-T111 HydrophobicContact CD2-CG2 3.65Å; L108-T111 HydrophobicContact CG-CG2 4.1Å; T111-F115 WeakPolarHBondContact O-CD2 3.41Å; T111-N117 HydrophobicContact CG2-CB 4.06Å; T111-N117 PolarHBondContact OG1-ND2 3.08Å
112	S	97.8	Very high	98.6	Very high	44 Å²	44	81 Å²	81	31%	0.308	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	-170.3	-151	82.4	0	0	0	0	112	A114	S112-A114 VanDerWaalsContact OG-CB 3.31Å; S112-A114 WeakPolarHBondContact OG-CB 3.37Å; S112-A114 PolarHBondContact OG-N 3.14Å
113	R	97.9	Very high	98.6	Very high	124 Å²	124	75.1 Å²	75.1	47%	0.468	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.3	170.2	-64.7	-68.2	-61.9	-80.1	3.9	113.3	F115 G324	R113-F115 VanDerWaalsContact C-N 3.3Å; R113-G324 VanDerWaalsContact CD-O 3.3Å; R113-G324 WeakPolarHBondContact CD-O 3.49Å
114	A	97.6	Very high	98.6	Very high	80 Å²	80	74.6 Å²	74.6	66%	0.661	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-26.8	176.9	0	0	0	0	0	112.5	S112	S112-A114 VanDerWaalsContact OG-CB 3.31Å; S112-A114 WeakPolarHBondContact OG-CB 3.37Å; S112-A114 PolarHBondContact OG-N 3.14Å
115	F	98.6	Very high	98.6	Very high	153 Å²	153	79 Å²	79	67%	0.671	40%	0.403	S	S	*	.	S	Bend	trans	-118.7	143.9	174.5	-49.4	-63	0	0	0	109.6	T111 R113	T111-F115 WeakPolarHBondContact O-CD2 3.41Å; R113-F115 VanDerWaalsContact C-N 3.3Å
116	Y	98.8	Very high	98.7	Very high	234 Å²	234	78.7 Å²	78.7	92%	0.918	40%	0.396	S	S	*	.			trans	-65.7	149.9	166.7	-66.3	-87.4	0	0	0	109.9
117	N	98.8	Very high	98.7	Very high	24 Å²	24	71.8 Å²	71.8	13%	0.128	36%	0.359	C	S	.	.			trans	-125.7	161.9	164.6	68.1	75.5	0	0	0	108.6	L108 T111 V119 L120	L108-N117 HydrophobicContact CD2-CB 4.38Å; T111-N117 HydrophobicContact CG2-CB 4.06Å; T111-N117 PolarHBondContact OG1-ND2 3.08Å; N117-V119 PolarHBondContact O-N 3.12Å; N117-V119 PolarHBondContact OD1-N 2.68Å; N117-L120 PolarHBondContact OD1-N 3.18Å
118	N	98.8	Very high	98.7	Very high	121 Å²	121	65.3 Å²	65.3	65%	0.647	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	1.5	-173.9	68.5	-51.9	0	0	0	114.5
119	V	98.9	Very high	98.7	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-39.4	-173.4	179	0	0	0	0	111.9	N117 G121 E122 Y123 P327 C330 R331	N117-V119 PolarHBondContact O-N 3.12Å; N117-V119 PolarHBondContact OD1-N 2.68Å; V119-G121 PolarHBondContact O-N 3.28Å; V119-E122 WeakPolarHBondContact O-CB 3.38Å; V119-E122 PolarHBondContact O-N 3.22Å; V119-E122 VanDerWaalsContact O-N 3.1Å; V119-Y123 PolarHBondContact O-N 3.07Å; V119-Y123 VanDerWaalsContact O-N 3.11Å; V119-P327 HydrophobicContact CB-CB 3.79Å; V119-P327 HydrophobicContact CG1-CB 4.33Å; V119-P327 HydrophobicContact CG2-CB 3.73Å; V119-C330 HydrophobicContact CG1-CB 3.55Å; V119-R331 HydrophobicContact CG1-CG 3.81Å; V119-R331 HydrophobicContact CG2-CG 4.49Å
120	L	98.9	Very high	98.7	Very high	16 Å²	16	68.7 Å²	68.7	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-57	-50.9	-171.1	173.2	57	0	0	0	111.7	N117 E122 Y123 E124 P138	N117-L120 PolarHBondContact OD1-N 3.18Å; L120-E122 PolarHBondContact O-N 3.2Å; L120-Y123 HydrophobicContact CD1-CD1 4.35Å; L120-Y123 PolarHBondContact O-N 3.22Å; L120-Y123 VanDerWaalsContact O-N 3.13Å; L120-E124 HydrophobicContact CD1-CG 3.8Å; L120-E124 WeakPolarHBondContact CD1-OE1 2.96Å; L120-E124 HydrophobicContact CG-CG 4.2Å; L120-E124 WeakPolarHBondContact CG-OE1 3.27Å; L120-E124 VanDerWaalsContact O-CG 3.29Å; L120-E124 WeakPolarHBondContact O-CG 3.4Å; L120-E124 PolarHBondContact O-N 3.42Å; L120-P138 HydrophobicContact CD1-CG 3.99Å
121	G	98.9	Very high	98.7	Very high	40 Å²	40	66.6 Å²	66.6	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-30.8	179.5	0	0	0	0	0	114	V119 E124 E125	V119-G121 PolarHBondContact O-N 3.28Å; G121-E124 PolarHBondContact O-N 3.01Å; G121-E125 WeakPolarHBondContact O-CB 3.4Å; G121-E125 PolarHBondContact O-N 3.35Å
122	E	98.9	Very high	98.7	Very high	91 Å²	91	70.9 Å²	70.9	43%	0.425	35%	0.352	S	S	.	.	H	α-helix	trans	-69	-43.5	175.7	-168.7	-169.9	131.8	0	0	111.3	V119 L120 Y126 R331 I334	V119-E122 WeakPolarHBondContact O-CB 3.38Å; V119-E122 PolarHBondContact O-N 3.22Å; V119-E122 VanDerWaalsContact O-N 3.1Å; L120-E122 PolarHBondContact O-N 3.2Å; E122-Y126 WeakPolarHBondContact O-CB 3.37Å; E122-Y126 PolarHBondContact O-N 2.88Å; E122-R331 IonicContact OE1-CZ 3.66Å; E122-R331 IonicContact OE1-NH1 2.81Å; E122-R331 PolarHBondContact OE1-NH1 3.18Å; E122-R331 IonicContact OE1-NH2 2.67Å; E122-R331 IonicContact OE2-CZ 3.07Å; E122-R331 VanDerWaalsContact OE2-CZ 3.29Å; E122-R331 IonicContact OE2-NH1 2.6Å; E122-R331 PolarHBondContact OE2-NH1 2.94Å; E122-R331 IonicContact OE2-NH2 2.74Å; E122-R331 PolarHBondContact OE2-NH2 3.18Å; E122-I334 HydrophobicContact CG-CD1 4.49Å
123	Y	98.9	Very high	98.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-45.4	172.6	162.2	-105.3	0	0	0	111.4	V119 L120 E125 Y126 I127 P138 C330 A333 I334	V119-Y123 PolarHBondContact O-N 3.07Å; V119-Y123 VanDerWaalsContact O-N 3.11Å; L120-Y123 HydrophobicContact CD1-CD1 4.35Å; L120-Y123 PolarHBondContact O-N 3.22Å; L120-Y123 VanDerWaalsContact O-N 3.13Å; Y123-E125 PolarHBondContact O-N 2.91Å; Y123-Y126 PolarHBondContact O-N 3.18Å; Y123-I127 HydrophobicContact CE1-CG2 4.32Å; Y123-I127 HydrophobicContact CE2-CB 4.11Å; Y123-I127 HydrophobicContact CE2-CD1 3.98Å; Y123-I127 HydrophobicContact CE2-CG2 4.21Å; Y123-I127 VanDerWaalsContact O-CG2 3.29Å; Y123-I127 WeakPolarHBondContact O-CG2 3.36Å; Y123-I127 PolarHBondContact O-N 3.07Å; Y123-I127 VanDerWaalsContact OH-CD1 3.26Å; Y123-I127 WeakPolarHBondContact OH-CD1 3.41Å; Y123-P138 HydrophobicContact CE1-CB 4.3Å; Y123-C330 HydrophobicContact CD1-CB 4.4Å; Y123-C330 HydrophobicContact CG-CB 4.07Å; Y123-A333 HydrophobicContact CD2-CB 4.06Å; Y123-A333 HydrophobicContact CE2-CB 3.68Å; Y123-I334 HydrophobicContact CD2-CG1 4.02Å
124	E	98.9	Very high	98.8	Very high	55 Å²	55	69 Å²	69	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-47.4	179.6	-69.3	174.5	157.8	0	0	111.2	L120 G121 T128 V136	L120-E124 HydrophobicContact CD1-CG 3.8Å; L120-E124 WeakPolarHBondContact CD1-OE1 2.96Å; L120-E124 HydrophobicContact CG-CG 4.2Å; L120-E124 WeakPolarHBondContact CG-OE1 3.27Å; L120-E124 VanDerWaalsContact O-CG 3.29Å; L120-E124 WeakPolarHBondContact O-CG 3.4Å; L120-E124 PolarHBondContact O-N 3.42Å; G121-E124 PolarHBondContact O-N 3.01Å; E124-T128 VanDerWaalsContact O-CB 3.3Å; E124-T128 WeakPolarHBondContact O-CB 3.5Å; E124-T128 WeakPolarHBondContact O-CG2 3.48Å; E124-T128 PolarHBondContact O-N 3.17Å; E124-T128 VanDerWaalsContact O-N 3.12Å; E124-T128 PolarHBondContact O-OG1 3.48Å; E124-V136 HydrophobicContact CB-CG1 3.81Å; E124-V136 HydrophobicContact CG-CG1 3.61Å
125	E	98.9	Very high	98.9	Very high	104 Å²	104	68.5 Å²	68.5	49%	0.486	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-44.1	175.1	-176.7	178.3	-169.3	0	0	112.3	G121 Y123 T128 K129	G121-E125 WeakPolarHBondContact O-CB 3.4Å; G121-E125 PolarHBondContact O-N 3.35Å; Y123-E125 PolarHBondContact O-N 2.91Å; E125-T128 WeakPolarHBondContact CA-OG1 3.16Å; E125-T128 PolarHBondContact O-OG1 3.38Å; E125-T128 VanDerWaalsContact O-OG1 3.1Å; E125-K129 HydrophobicContact CG-CD 4.09Å; E125-K129 WeakPolarHBondContact O-CB 3.42Å; E125-K129 VanDerWaalsContact O-CG 3.29Å; E125-K129 WeakPolarHBondContact O-CG 3.2Å; E125-K129 PolarHBondContact O-N 3.16Å; E125-K129 WeakPolarHBondContact OE1-CE 3.32Å; E125-K129 IonicContact OE1-NZ 3.13Å; E125-K129 PolarHBondContact OE1-NZ 2.9Å
126	Y	98.9	Very high	98.9	Very high	58 Å²	58	61.8 Å²	61.8	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-52.8	-179.3	-177.7	-89.9	0	0	0	112	E122 Y123 L130 L337 E338	E122-Y126 WeakPolarHBondContact O-CB 3.37Å; E122-Y126 PolarHBondContact O-N 2.88Å; Y123-Y126 PolarHBondContact O-N 3.18Å; Y126-L130 HydrophobicContact CE1-CD2 4.1Å; Y126-L130 WeakPolarHBondContact O-CB 3.06Å; Y126-L130 PolarHBondContact O-N 2.73Å; Y126-L337 HydrophobicContact CD1-CD1 4.03Å; Y126-L337 HydrophobicContact CE1-CB 3.71Å; Y126-L337 HydrophobicContact CE1-CD1 3.88Å; Y126-L337 HydrophobicContact CE1-CG 4.46Å; Y126-E338 HydrophobicContact CE2-CG 4.29Å; Y126-E338 VanDerWaalsContact OH-CG 3.31Å; Y126-E338 WeakPolarHBondContact OH-CG 3.32Å
127	I	98.9	Very high	98.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-38.3	-174.7	-166.7	172.2	0	0	0	112	Y123 L130 F131 V136 L290 L294 A303 L305 L337	Y123-I127 HydrophobicContact CE1-CG2 4.32Å; Y123-I127 HydrophobicContact CE2-CB 4.11Å; Y123-I127 HydrophobicContact CE2-CD1 3.98Å; Y123-I127 HydrophobicContact CE2-CG2 4.21Å; Y123-I127 VanDerWaalsContact O-CG2 3.29Å; Y123-I127 WeakPolarHBondContact O-CG2 3.36Å; Y123-I127 PolarHBondContact O-N 3.07Å; Y123-I127 VanDerWaalsContact OH-CD1 3.26Å; Y123-I127 WeakPolarHBondContact OH-CD1 3.41Å; I127-L130 PolarHBondContact O-N 3.02Å; I127-F131 HydrophobicContact CD1-CD2 4.44Å; I127-F131 HydrophobicContact CD1-CE2 4.36Å; I127-F131 HydrophobicContact CG1-CD2 3.6Å; I127-F131 HydrophobicContact CG1-CE2 3.8Å; I127-F131 WeakPolarHBondContact O-CD2 3.18Å; I127-F131 PolarHBondContact O-N 2.68Å; I127-V136 HydrophobicContact CG2-CB 3.98Å; I127-V136 HydrophobicContact CG2-CG1 3.75Å; I127-V136 HydrophobicContact CG2-CG2 4.03Å; I127-L290 HydrophobicContact CD1-CD1 4.33Å; I127-L294 HydrophobicContact CD1-CD1 4.1Å; I127-A303 HydrophobicContact CD1-CB 3.99Å; I127-L305 HydrophobicContact CD1-CD1 4.47Å; I127-L305 HydrophobicContact CG1-CD1 4.44Å; I127-L305 HydrophobicContact CG1-CD2 4.33Å; I127-L305 HydrophobicContact CG2-CD2 4.39Å; I127-L337 HydrophobicContact CB-CD1 4.43Å; I127-L337 HydrophobicContact CD1-CD1 4.33Å; I127-L337 HydrophobicContact CG1-CD1 4.21Å
128	T	98.9	Very high	98.9	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.117	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-42.1	178.1	49.1	0	0	0	0	111.9	E124 E125 N132 Y133 V136 L305	E124-T128 VanDerWaalsContact O-CB 3.3Å; E124-T128 WeakPolarHBondContact O-CB 3.5Å; E124-T128 WeakPolarHBondContact O-CG2 3.48Å; E124-T128 PolarHBondContact O-N 3.17Å; E124-T128 VanDerWaalsContact O-N 3.12Å; E124-T128 PolarHBondContact O-OG1 3.48Å; E125-T128 WeakPolarHBondContact CA-OG1 3.16Å; E125-T128 PolarHBondContact O-OG1 3.38Å; E125-T128 VanDerWaalsContact O-OG1 3.1Å; T128-N132 VanDerWaalsContact O-CA 3.31Å; T128-N132 WeakPolarHBondContact O-CA 3.49Å; T128-N132 PolarHBondContact O-N 2.82Å; T128-Y133 VanDerWaalsContact CB-O 3.22Å; T128-Y133 WeakPolarHBondContact CB-O 3.47Å; T128-Y133 PolarHBondContact O-N 2.92Å; T128-Y133 VanDerWaalsContact O-N 3.08Å; T128-V136 HydrophobicContact CG2-CB 4.07Å; T128-V136 HydrophobicContact CG2-CG1 4.17Å; T128-L305 HydrophobicContact CG2-CD2 4.3Å
129	K	98.9	Very high	98.9	Very high	143 Å²	143	45.4 Å²	45.4	62%	0.622	23%	0.226	S	C	*	.	H	α-helix	trans	-66.3	-39	173.7	-72.2	179.9	-176	176.8	0	112.6	E125	E125-K129 HydrophobicContact CG-CD 4.09Å; E125-K129 WeakPolarHBondContact O-CB 3.42Å; E125-K129 VanDerWaalsContact O-CG 3.29Å; E125-K129 WeakPolarHBondContact O-CG 3.2Å; E125-K129 PolarHBondContact O-N 3.16Å; E125-K129 WeakPolarHBondContact OE1-CE 3.32Å; E125-K129 IonicContact OE1-NZ 3.13Å; E125-K129 PolarHBondContact OE1-NZ 2.9Å
130	L	98.8	Very high	98.9	Very high	47 Å²	47	46.4 Å²	46.4	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-43.8	-179.7	179.5	60.8	0	0	0	112.1	Y126 I127 W275 L337	Y126-L130 HydrophobicContact CE1-CD2 4.1Å; Y126-L130 WeakPolarHBondContact O-CB 3.06Å; Y126-L130 PolarHBondContact O-N 2.73Å; I127-L130 PolarHBondContact O-N 3.02Å; L130-W275 HydrophobicContact CD1-CH2 4.36Å; L130-W275 HydrophobicContact CD1-CZ2 4.15Å; L130-W275 HydrophobicContact CD2-CE3 4.49Å; L130-W275 HydrophobicContact CD2-CH2 4.09Å; L130-W275 HydrophobicContact CD2-CZ3 3.99Å; L130-L337 HydrophobicContact CD2-CB 4.33Å; L130-L337 HydrophobicContact CD2-CD1 4.34Å; L130-L337 HydrophobicContact CD2-CD2 4.15Å
131	F	98.9	Very high	98.9	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-99.7	2.7	-177.1	-65.9	-75.1	0	0	0	114.1	I127 Y133 L269 W275 L276 L290 L305 L337	I127-F131 HydrophobicContact CD1-CD2 4.44Å; I127-F131 HydrophobicContact CD1-CE2 4.36Å; I127-F131 HydrophobicContact CG1-CD2 3.6Å; I127-F131 HydrophobicContact CG1-CE2 3.8Å; I127-F131 WeakPolarHBondContact O-CD2 3.18Å; I127-F131 PolarHBondContact O-N 2.68Å; F131-Y133 HydrophobicContact CB-CD2 3.97Å; F131-Y133 HydrophobicContact CB-CE2 4.32Å; F131-Y133 WeakPolarHBondContact O-CD2 3.31Å; F131-Y133 VanDerWaalsContact O-CE2 3.31Å; F131-Y133 WeakPolarHBondContact O-CE2 3.39Å; F131-L269 HydrophobicContact CE1-CD2 4.44Å; F131-L269 HydrophobicContact CE2-CD2 4.44Å; F131-L269 HydrophobicContact CZ-CD2 3.64Å; F131-W275 HydrophobicContact CE1-CB 4.33Å; F131-W275 HydrophobicContact CE1-CE3 4.09Å; F131-W275 AromaticContact CZ-CE3 3.97Å; F131-W275 HydrophobicContact CZ-CE3 3.97Å; F131-W275 HydrophobicContact CZ-CZ3 4.39Å; F131-L276 HydrophobicContact CD1-CD1 3.98Å; F131-L276 HydrophobicContact CD1-CD2 4.03Å; F131-L276 HydrophobicContact CD1-CG 4.01Å; F131-L276 HydrophobicContact CE1-CD1 4.5Å; F131-L276 HydrophobicContact CE1-CD2 3.77Å; F131-L276 HydrophobicContact CE1-CG 4.03Å; F131-L290 HydrophobicContact CD2-CD1 4.04Å; F131-L290 HydrophobicContact CE1-CD1 4.31Å; F131-L290 HydrophobicContact CE2-CD1 3.67Å; F131-L290 HydrophobicContact CZ-CD1 3.83Å; F131-L305 HydrophobicContact CB-CD1 3.93Å; F131-L305 HydrophobicContact CD2-CD1 3.93Å; F131-L305 HydrophobicContact CG-CD1 4.03Å; F131-L337 HydrophobicContact CE2-CD2 4.18Å; F131-L337 HydrophobicContact CZ-CD2 4.3Å
132	N	98.8	Very high	98.9	Very high	119 Å²	119	47.5 Å²	47.5	64%	0.636	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	54.7	178.2	-166.1	33.8	0	0	0	114	T128 R284	T128-N132 VanDerWaalsContact O-CA 3.31Å; T128-N132 WeakPolarHBondContact O-CA 3.49Å; T128-N132 PolarHBondContact O-N 2.82Å; N132-R284 PolarHBondContact O-NE 3.25Å; N132-R284 PolarHBondContact O-NH2 3.44Å
133	Y	98.9	Very high	98.9	Very high	14 Å²	14	44.6 Å²	44.6	6%	0.055	22%	0.222	C	C	.	.			trans	-124.3	155.8	171.2	-73.5	-83.7	0	0	0	110.4	T128 F131 P285 V288 L305	T128-Y133 VanDerWaalsContact CB-O 3.22Å; T128-Y133 WeakPolarHBondContact CB-O 3.47Å; T128-Y133 PolarHBondContact O-N 2.92Å; T128-Y133 VanDerWaalsContact O-N 3.08Å; F131-Y133 HydrophobicContact CB-CD2 3.97Å; F131-Y133 HydrophobicContact CB-CE2 4.32Å; F131-Y133 WeakPolarHBondContact O-CD2 3.31Å; F131-Y133 VanDerWaalsContact O-CE2 3.31Å; F131-Y133 WeakPolarHBondContact O-CE2 3.39Å; Y133-P285 WeakPolarHBondContact OH-CD 3.45Å; Y133-P285 PolarHBondContact OH-O 3.33Å; Y133-V288 HydrophobicContact CE2-CB 4.37Å; Y133-V288 HydrophobicContact CE2-CG2 3.93Å; Y133-V288 WeakPolarHBondContact OH-CG2 3.48Å; Y133-L305 HydrophobicContact CD2-CB 3.79Å; Y133-L305 HydrophobicContact CD2-CD1 4.43Å; Y133-L305 HydrophobicContact CE2-CB 4.34Å; Y133-L305 HydrophobicContact CG-CB 3.9Å
134	Q	98.9	Very high	98.9	Very high	113 Å²	113	47.2 Å²	47.2	53%	0.528	24%	0.235	S	C	.	.	S	Bend	trans	-76.3	-33.7	-178.6	-63.6	173.2	-29.6	0	0	113.4	D307 D308	Q134-D307 HydrophobicContact CG-CB 4.39Å; Q134-D307 WeakPolarHBondContact CG-OD1 3.36Å; Q134-D307 PolarHBondContact N-OD1 3.46Å; Q134-D307 VanDerWaalsContact N-OD1 3.15Å; Q134-D308 WeakPolarHBondContact CB-OD1 3.27Å; Q134-D308 VanDerWaalsContact OE1-CB 3.28Å
135	K	98.9	Very high	98.9	Very high	70 Å²	70	44.6 Å²	44.6	30%	0.304	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.3	-177.5	-73.6	-173.3	170.2	64.4	0	113.4	C306 D308 M311 L312	K135-C306 PolarHBondContact N-O 3.2Å; K135-C306 VanDerWaalsContact N-O 3.09Å; K135-C306 PolarHBondContact O-N 2.96Å; K135-D308 VanDerWaalsContact CD-OD1 3.28Å; K135-D308 WeakPolarHBondContact CD-OD1 3.44Å; K135-D308 WeakPolarHBondContact CE-OD1 3.35Å; K135-D308 WeakPolarHBondContact CG-OD1 3.49Å; K135-D308 IonicContact NZ-OD1 3.12Å; K135-D308 PolarHBondContact NZ-OD1 3.26Å; K135-D308 IonicContact NZ-OD2 3.86Å; K135-D308 PolarHBondContact NZ-OD2 3Å; K135-M311 HydrophobicContact CB-CB 4.06Å; K135-M311 HydrophobicContact CB-CE 4.26Å; K135-M311 HydrophobicContact CB-CG 3.74Å; K135-M311 HydrophobicContact CD-CB 4.38Å; K135-M311 HydrophobicContact CD-CG 4.17Å; K135-L312 HydrophobicContact CD-CD2 3.74Å; K135-L312 HydrophobicContact CD-CG 4.22Å
136	V	98.9	Very high	98.9	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.9	171.4	67.9	0	0	0	0	110	E124 I127 T128 A303 V304 L305	E124-V136 HydrophobicContact CB-CG1 3.81Å; E124-V136 HydrophobicContact CG-CG1 3.61Å; I127-V136 HydrophobicContact CG2-CB 3.98Å; I127-V136 HydrophobicContact CG2-CG1 3.75Å; I127-V136 HydrophobicContact CG2-CG2 4.03Å; T128-V136 HydrophobicContact CG2-CB 4.07Å; T128-V136 HydrophobicContact CG2-CG1 4.17Å; V136-A303 HydrophobicContact CG2-CB 3.72Å; V136-V304 CarbonylContact C-O 3.59Å; V136-V304 VanDerWaalsContact CA-O 3.3Å; V136-V304 WeakPolarHBondContact CA-O 3.31Å; V136-L305 HydrophobicContact CB-CD2 3.69Å; V136-L305 HydrophobicContact CG2-CD2 3.76Å; V136-L305 HydrophobicContact CG2-CG 4.15Å
137	L	98.9	Very high	98.9	Very high	23 Å²	23	39 Å²	39	12%	0.12	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.8	168.6	-163.5	164.1	0	0	0	108.6	M139 T148 V304 M311	L137-M139 HydrophobicContact CD2-CG 3.83Å; L137-M139 HydrophobicContact CD2-SD 3.51Å; L137-M139 VanDerWaalsContact CD2-SD 3.51Å; L137-T148 HydrophobicContact CD1-CG2 3.87Å; L137-T148 HydrophobicContact CD2-CG2 4.09Å; L137-T148 HydrophobicContact CG-CG2 4.4Å; L137-V304 HydrophobicContact CB-CB 4.42Å; L137-V304 PolarHBondContact N-O 3.46Å; L137-V304 PolarHBondContact O-N 2.91Å; L137-M311 HydrophobicContact CB-CE 4.05Å; L137-M311 HydrophobicContact CB-SD 3.86Å; L137-M311 HydrophobicContact CD1-SD 4.25Å
138	P	98.8	Very high	98.9	Very high	2 Å²	2	39 Å²	39	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.4	-178.4	31.7	-35.5	0	0	0	112.3	L120 Y123 G324	L120-P138 HydrophobicContact CD1-CG 3.99Å; Y123-P138 HydrophobicContact CE1-CB 4.3Å; P138-G324 WeakPolarHBondContact O-CA 3.28Å
139	M	98.9	Very high	98.9	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-172.9	174.2	-61.6	-58.2	-74.8	0	0	109.3	L137 E144 S302 H319	L137-M139 HydrophobicContact CD2-CG 3.83Å; L137-M139 HydrophobicContact CD2-SD 3.51Å; L137-M139 VanDerWaalsContact CD2-SD 3.51Å; M139-E144 HydrophobicContact CB-CB 3.88Å; M139-E144 HydrophobicContact CE-CB 3.78Å; M139-E144 HydrophobicContact CE-CG 4.18Å; M139-E144 HydrophobicContact CG-CB 4.34Å; M139-S302 VanDerWaalsContact CB-OG 3.27Å; M139-S302 WeakPolarHBondContact CB-OG 3.48Å; M139-S302 PolarHBondContact N-O 3.15Å; M139-S302 PolarHBondContact O-N 3.43Å; M139-S302 VanDerWaalsContact O-O 3.09Å; M139-S302 PolarHBondContact O-OG 3.42Å; M139-H319 WeakPolarHBondContact CE-NE2 3.47Å; M139-H319 PolarHBondContact SD-NE2 3.29Å; M139-H319 VanDerWaalsContact SD-NE2 3.41Å
140	N	98.9	Very high	98.9	Very high	21 Å²	21	31.6 Å²	31.6	11%	0.112	17%	0.165	C	C	.	.	S	Bend	trans	-105.7	-45.5	-175.1	-37.3	-78.7	0	0	0	111.7	E144 P300 V301 S302 S321 Y323 G324	N140-E144 VanDerWaalsContact CA-OE2 3.3Å; N140-E144 WeakPolarHBondContact CA-OE2 3.45Å; N140-E144 WeakPolarHBondContact CB-OE2 3.42Å; N140-E144 PolarHBondContact N-OE2 3.35Å; N140-E144 PolarHBondContact ND2-OE1 3.44Å; N140-E144 PolarHBondContact ND2-OE2 2.88Å; N140-P300 HydrophobicContact CB-CB 4.39Å; N140-P300 CarbonylContact O-C 3.57Å; N140-P300 WeakPolarHBondContact O-CA 3.32Å; N140-P300 WeakPolarHBondContact O-CB 3.26Å; N140-V301 CarbonylContact O-C 3.51Å; N140-V301 WeakPolarHBondContact O-CA 3.32Å; N140-V301 PolarHBondContact O-N 2.99Å; N140-S302 PolarHBondContact N-OG 3.45Å; N140-S321 PolarHBondContact ND2-OG 3.3Å; N140-Y323 WeakPolarHBondContact OD1-CB 3.41Å; N140-Y323 PolarHBondContact OD1-O 2.6Å; N140-G324 PolarHBondContact OD1-N 2.81Å; N140-G324 VanDerWaalsContact OD1-N 3.14Å
141	T	98.9	Very high	98.9	Very high	59 Å²	59	33.7 Å²	33.7	36%	0.362	17%	0.172	S	C	.	.	S	Bend	trans	-116.6	157	-175.3	65.5	0	0	0	0	112.5	V143 E144 A145 S302	T141-V143 VanDerWaalsContact C-N 3.26Å; T141-V143 PolarHBondContact O-N 3.02Å; T141-V143 WeakPolarHBondContact OG1-CG1 3.4Å; T141-E144 PolarHBondContact N-OE2 3.21Å; T141-E144 WeakPolarHBondContact O-CB 3.43Å; T141-E144 PolarHBondContact O-N 3.12Å; T141-E144 VanDerWaalsContact O-N 3.09Å; T141-E144 WeakPolarHBondContact OG1-CG 3.45Å; T141-E144 PolarHBondContact OG1-N 2.76Å; T141-E144 PolarHBondContact OG1-OE2 3.48Å; T141-A145 PolarHBondContact O-N 3.3Å; T141-A145 VanDerWaalsContact O-N 3.12Å; T141-S302 PolarHBondContact N-OG 3.03Å; T141-S302 WeakPolarHBondContact O-CB 3.22Å; T141-S302 PolarHBondContact O-OG 3.23Å
142	G	98.7	Very high	98.9	Very high	20 Å²	20	32.9 Å²	32.9	21%	0.206	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-39.8	176.7	0	0	0	0	0	113.5	E144 A145 G146 I265	G142-E144 VanDerWaalsContact C-N 3.34Å; G142-E144 PolarHBondContact O-N 3.4Å; G142-A145 WeakPolarHBondContact O-CB 3.4Å; G142-A145 PolarHBondContact O-N 2.83Å; G142-A145 VanDerWaalsContact O-N 3.13Å; G142-G146 PolarHBondContact O-N 3.16Å; G142-I265 VanDerWaalsContact CA-CD1 3.48Å; G142-I265 WeakPolarHBondContact O-CD1 3.25Å
143	V	98.9	Very high	98.9	Very high	29 Å²	29	27.2 Å²	27.2	18%	0.176	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-34.8	178	69.9	0	0	0	0	112.4	T141 A145 G146 E147 W178 T181 A184	T141-V143 VanDerWaalsContact C-N 3.26Å; T141-V143 PolarHBondContact O-N 3.02Å; T141-V143 WeakPolarHBondContact OG1-CG1 3.4Å; V143-A145 VanDerWaalsContact C-N 3.31Å; V143-A145 PolarHBondContact O-N 3.08Å; V143-G146 PolarHBondContact O-N 2.59Å; V143-E147 HydrophobicContact CG2-CG 4.49Å; V143-E147 VanDerWaalsContact O-CG 3.26Å; V143-E147 WeakPolarHBondContact O-CG 3.4Å; V143-E147 PolarHBondContact O-N 2.95Å; V143-W178 WeakPolarHBondContact CA-O 3.28Å; V143-W178 HydrophobicContact CG2-CE3 4.16Å; V143-W178 HydrophobicContact CG2-CZ3 4.19Å; V143-T181 HydrophobicContact CG1-CG2 4.13Å; V143-T181 HydrophobicContact CG2-CG2 3.55Å; V143-T181 WeakPolarHBondContact CG2-OG1 3.42Å; V143-A184 HydrophobicContact CG2-CB 4.19Å
144	E	98.9	Very high	98.9	Very high	55 Å²	55	28.8 Å²	28.8	26%	0.257	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-37.1	172	-74.5	175.7	133.8	0	0	111.7	M139 N140 T141 G142 E147 T148	M139-E144 HydrophobicContact CB-CB 3.88Å; M139-E144 HydrophobicContact CE-CB 3.78Å; M139-E144 HydrophobicContact CE-CG 4.18Å; M139-E144 HydrophobicContact CG-CB 4.34Å; N140-E144 VanDerWaalsContact CA-OE2 3.3Å; N140-E144 WeakPolarHBondContact CA-OE2 3.45Å; N140-E144 WeakPolarHBondContact CB-OE2 3.42Å; N140-E144 PolarHBondContact N-OE2 3.35Å; N140-E144 PolarHBondContact ND2-OE1 3.44Å; N140-E144 PolarHBondContact ND2-OE2 2.88Å; T141-E144 PolarHBondContact N-OE2 3.21Å; T141-E144 WeakPolarHBondContact O-CB 3.43Å; T141-E144 PolarHBondContact O-N 3.12Å; T141-E144 VanDerWaalsContact O-N 3.09Å; T141-E144 WeakPolarHBondContact OG1-CG 3.45Å; T141-E144 PolarHBondContact OG1-N 2.76Å; T141-E144 PolarHBondContact OG1-OE2 3.48Å; G142-E144 VanDerWaalsContact C-N 3.34Å; G142-E144 PolarHBondContact O-N 3.4Å; E144-E147 PolarHBondContact O-N 3.25Å; E144-T148 WeakPolarHBondContact O-CB 3.04Å; E144-T148 PolarHBondContact O-N 3.44Å; E144-T148 PolarHBondContact O-OG1 2.8Å
145	A	98.9	Very high	98.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-43	173.2	0	0	0	0	0	111.9	T141 G142 V143 T148 A149 I265 V304	T141-A145 PolarHBondContact O-N 3.3Å; T141-A145 VanDerWaalsContact O-N 3.12Å; G142-A145 WeakPolarHBondContact O-CB 3.4Å; G142-A145 PolarHBondContact O-N 2.83Å; G142-A145 VanDerWaalsContact O-N 3.13Å; V143-A145 VanDerWaalsContact C-N 3.31Å; V143-A145 PolarHBondContact O-N 3.08Å; A145-T148 PolarHBondContact O-N 2.98Å; A145-A149 WeakPolarHBondContact O-CB 3.33Å; A145-A149 PolarHBondContact O-N 3.12Å; A145-I265 HydrophobicContact CB-CD1 4.48Å; A145-V304 HydrophobicContact CB-CG2 3.81Å; A145-V304 WeakPolarHBondContact O-CG2 3.33Å
146	G	98.9	Very high	98.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-43.5	174.1	0	0	0	0	0	113.5	G142 V143 T148 A149 C150	G142-G146 PolarHBondContact O-N 3.16Å; V143-G146 PolarHBondContact O-N 2.59Å; G146-T148 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 3.23Å; G146-A149 PolarHBondContact O-N 3.2Å; G146-C150 PolarHBondContact O-N 3.33Å; G146-C150 PolarHBondContact O-SG 2.92Å; G146-C150 VanDerWaalsContact O-SG 3.33Å
147	E	98.9	Very high	98.9	Very high	46 Å²	46	24.5 Å²	24.5	22%	0.215	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-42.7	174.6	-70.3	-76.1	-172.4	0	0	111	V143 E144 C150 K151 W178 T181 S183	V143-E147 HydrophobicContact CG2-CG 4.49Å; V143-E147 VanDerWaalsContact O-CG 3.26Å; V143-E147 WeakPolarHBondContact O-CG 3.4Å; V143-E147 PolarHBondContact O-N 2.95Å; E144-E147 PolarHBondContact O-N 3.25Å; E147-C150 PolarHBondContact O-N 3.38Å; E147-K151 WeakPolarHBondContact O-CG 3.39Å; E147-K151 PolarHBondContact O-N 2.97Å; E147-W178 HydrophobicContact CG-CZ3 4.06Å; E147-T181 HydrophobicContact CG-CG2 4.45Å; E147-T181 WeakPolarHBondContact OE1-CB 3.34Å; E147-T181 PolarHBondContact OE1-OG1 2.78Å; E147-S183 WeakPolarHBondContact OE1-CB 3.31Å; E147-S183 PolarHBondContact OE1-OG 2.94Å; E147-S183 VanDerWaalsContact OE1-OG 3.08Å; E147-S183 WeakPolarHBondContact OE2-CB 3.26Å; E147-S183 PolarHBondContact OE2-OG 3.18Å; E147-S183 VanDerWaalsContact OE2-OG 3.11Å
148	T	98.9	Very high	98.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-43.2	175.7	-67	0	0	0	0	111.6	L137 E144 A145 G146 K151 L152 V304 H319	L137-T148 HydrophobicContact CD1-CG2 3.87Å; L137-T148 HydrophobicContact CD2-CG2 4.09Å; L137-T148 HydrophobicContact CG-CG2 4.4Å; E144-T148 WeakPolarHBondContact O-CB 3.04Å; E144-T148 PolarHBondContact O-N 3.44Å; E144-T148 PolarHBondContact O-OG1 2.8Å; A145-T148 PolarHBondContact O-N 2.98Å; G146-T148 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 3.23Å; T148-K151 WeakPolarHBondContact O-CB 3.36Å; T148-K151 PolarHBondContact O-N 3.31Å; T148-L152 HydrophobicContact CG2-CD1 4.11Å; T148-L152 WeakPolarHBondContact O-CG 3.42Å; T148-L152 PolarHBondContact O-N 2.93Å; T148-V304 HydrophobicContact CG2-CB 4.24Å; T148-V304 HydrophobicContact CG2-CG1 4.42Å; T148-V304 HydrophobicContact CG2-CG2 3.78Å; T148-H319 PolarHBondContact OG1-CE1 3.22Å; T148-H319 PolarHBondContact OG1-NE2 3.32Å; T148-H319 VanDerWaalsContact OG1-NE2 3.09Å
149	A	98.9	Very high	98.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-42.2	177.1	0	0	0	0	0	112.1	A145 G146 K151 L152 A153 I261 I287 L289	A145-A149 WeakPolarHBondContact O-CB 3.33Å; A145-A149 PolarHBondContact O-N 3.12Å; G146-A149 PolarHBondContact O-N 3.2Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-K151 PolarHBondContact O-N 3.1Å; A149-L152 PolarHBondContact O-N 3.27Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 3.01Å; A149-I261 HydrophobicContact CB-CD1 4.16Å; A149-I261 HydrophobicContact CB-CG2 3.95Å; A149-I287 HydrophobicContact CB-CG2 4.27Å; A149-L289 HydrophobicContact CB-CD1 4.22Å; A149-L289 HydrophobicContact CB-CD2 3.54Å; A149-L289 HydrophobicContact CB-CG 4.47Å
150	C	98.9	Very high	98.9	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.034	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-41.2	173.3	-71	0	0	0	0	112	G146 E147 R154 I170	G146-C150 PolarHBondContact O-N 3.33Å; G146-C150 PolarHBondContact O-SG 2.92Å; G146-C150 VanDerWaalsContact O-SG 3.33Å; E147-C150 PolarHBondContact O-N 3.38Å; C150-R154 WeakPolarHBondContact O-CB 3.42Å; C150-R154 WeakPolarHBondContact O-CG 3.35Å; C150-R154 PolarHBondContact O-N 3.26Å; C150-I170 HydrophobicContact CB-CD1 3.85Å
151	K	98.9	Very high	98.9	Very high	91 Å²	91	33 Å²	33	40%	0.396	17%	0.167	S	C	.	.	H	α-helix	trans	-63.8	-45.8	175.2	-78	-177.9	59.4	162.2	0	111.8	E147 T148 A149 R155 E318 H319	E147-K151 WeakPolarHBondContact O-CG 3.39Å; E147-K151 PolarHBondContact O-N 2.97Å; T148-K151 WeakPolarHBondContact O-CB 3.36Å; T148-K151 PolarHBondContact O-N 3.31Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-K151 PolarHBondContact O-N 3.1Å; K151-R155 WeakPolarHBondContact O-CB 3.21Å; K151-R155 PolarHBondContact O-N 3.44Å; K151-E318 PolarHBondContact NZ-O 2.88Å; K151-H319 WeakPolarHBondContact CE-ND1 3.45Å; K151-H319 PolarHBondContact NZ-ND1 3.44Å
152	L	98.9	Very high	98.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-51	176	-79.8	165.7	0	0	0	111	T148 A149 R154 R155 W156 I287 V304 I310 M311 I314	T148-L152 HydrophobicContact CG2-CD1 4.11Å; T148-L152 WeakPolarHBondContact O-CG 3.42Å; T148-L152 PolarHBondContact O-N 2.93Å; A149-L152 PolarHBondContact O-N 3.27Å; L152-R154 PolarHBondContact O-N 3.25Å; L152-R155 PolarHBondContact O-N 2.99Å; L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 3.22Å; L152-I287 HydrophobicContact CB-CD1 4.11Å; L152-V304 HydrophobicContact CD1-CG1 3.77Å; L152-I310 HydrophobicContact CB-CG2 4.43Å; L152-M311 HydrophobicContact CD1-SD 4.03Å; L152-M311 HydrophobicContact CD2-SD 4.24Å; L152-I314 HydrophobicContact CD2-CD1 3.55Å; L152-I314 HydrophobicContact CD2-CG1 3.82Å; L152-I314 HydrophobicContact CG-CD1 3.75Å; L152-I314 HydrophobicContact CG-CG1 4.48Å
153	A	98.9	Very high	98.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-46.7	179.6	0	0	0	0	0	112.7	A149 G157 I170 A225 A226 L259 I261	A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 3.01Å; A153-G157 PolarHBondContact O-N 3.46Å; A153-I170 HydrophobicContact CB-CD1 4.12Å; A153-A225 WeakPolarHBondContact O-CB 3.49Å; A153-A226 HydrophobicContact CB-CB 3.59Å; A153-L259 HydrophobicContact CB-CD1 4.39Å; A153-I261 HydrophobicContact CB-CD1 4.08Å
154	R	98.9	Very high	98.9	Very high	48 Å²	48	37.9 Å²	37.9	18%	0.181	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-47.8	176.4	-76.5	175.4	169.9	-173.9	-3.6	111.3	C150 L152 G157 Y158 A168 I170 M201 P202	C150-R154 WeakPolarHBondContact O-CB 3.42Å; C150-R154 WeakPolarHBondContact O-CG 3.35Å; C150-R154 PolarHBondContact O-N 3.26Å; L152-R154 PolarHBondContact O-N 3.25Å; R154-G157 PolarHBondContact O-N 3.49Å; R154-Y158 HydrophobicContact CB-CE2 3.87Å; R154-Y158 WeakPolarHBondContact O-CD2 3.5Å; R154-Y158 VanDerWaalsContact O-CE2 3.27Å; R154-Y158 WeakPolarHBondContact O-CE2 3.39Å; R154-Y158 PolarHBondContact O-N 2.83Å; R154-A168 HydrophobicContact CG-CB 4.3Å; R154-I170 HydrophobicContact CG-CD1 4.23Å; R154-M201 PolarHBondContact NH1-SD 3.2Å; R154-P202 PolarHBondContact NH2-O 2.94Å
155	R	98.9	Very high	98.9	Very high	89 Å²	89	42.8 Å²	42.8	34%	0.336	22%	0.215	S	C	.	.	H	α-helix	trans	-59.9	-51	-179.4	-176.8	61.6	170.5	-159.2	-6.4	110.9	K151 L152 G157 Y158 T159 T313 E318	K151-R155 WeakPolarHBondContact O-CB 3.21Å; K151-R155 PolarHBondContact O-N 3.44Å; L152-R155 PolarHBondContact O-N 2.99Å; R155-G157 VanDerWaalsContact C-N 3.33Å; R155-G157 PolarHBondContact O-N 2.91Å; R155-Y158 PolarHBondContact O-N 2.55Å; R155-T159 PolarHBondContact O-N 2.71Å; R155-T159 PolarHBondContact O-OG1 3.35Å; R155-T313 WeakPolarHBondContact CG-O 3.32Å; R155-T313 PolarHBondContact NE-O 3.25Å; R155-T313 VanDerWaalsContact NE-O 3.14Å; R155-E318 IonicContact CZ-OE1 2.74Å; R155-E318 IonicContact CZ-OE2 2.67Å; R155-E318 IonicContact NE-OE2 3.8Å; R155-E318 IonicContact NH1-OE1 2.97Å; R155-E318 VanDerWaalsContact NH2-CD 3.27Å; R155-E318 IonicContact NH2-OE1 3.45Å; R155-E318 PolarHBondContact NH2-OE1 2.58Å; R155-E318 IonicContact NH2-OE2 2.98Å; R155-E318 PolarHBondContact NH2-OE2 3.05Å; R155-E318 VanDerWaalsContact NH2-OE2 3.08Å
156	W	98.9	Very high	98.9	Very high	16 Å²	16	52.2 Å²	52.2	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-43.5	173.9	174.9	92.8	0	0	0	112.1	L152 Y158 T159 V160 K161 Q257 L259 T313	L152-W156 WeakPolarHBondContact O-CB 3.46Å; L152-W156 PolarHBondContact O-N 3.22Å; W156-Y158 VanDerWaalsContact C-N 3.26Å; W156-Y158 PolarHBondContact O-N 2.73Å; W156-T159 PolarHBondContact O-N 3.06Å; W156-V160 HydrophobicContact CD2-CB 4.39Å; W156-V160 HydrophobicContact CG-CB 4.16Å; W156-V160 HydrophobicContact CG-CG2 4.25Å; W156-V160 WeakPolarHBondContact O-CA 3.49Å; W156-V160 WeakPolarHBondContact O-CB 3.3Å; W156-V160 PolarHBondContact O-N 2.99Å; W156-K161 HydrophobicContact CE3-CB 4.33Å; W156-K161 HydrophobicContact CH2-CB 3.92Å; W156-K161 HydrophobicContact CH2-CD 3.95Å; W156-K161 HydrophobicContact CH2-CG 4.34Å; W156-K161 HydrophobicContact CZ2-CB 4.48Å; W156-K161 HydrophobicContact CZ3-CB 3.84Å; W156-K161 HydrophobicContact CZ3-CD 3.8Å; W156-K161 HydrophobicContact CZ3-CG 4.38Å; W156-K161 PolarHBondContact O-N 2.79Å; W156-K161 VanDerWaalsContact O-N 3.14Å; W156-Q257 HydrophobicContact CH2-CG 4.08Å; W156-Q257 WeakPolarHBondContact CH2-O 3.37Å; W156-Q257 HydrophobicContact CZ2-CG 4.36Å; W156-L259 HydrophobicContact CB-CD1 4.28Å; W156-L259 HydrophobicContact CD2-CD1 3.79Å; W156-L259 HydrophobicContact CD2-CD2 4.06Å; W156-L259 HydrophobicContact CD2-CG 3.99Å; W156-L259 HydrophobicContact CE3-CD1 3.76Å; W156-L259 HydrophobicContact CE3-CD2 4.17Å; W156-L259 HydrophobicContact CE3-CG 3.71Å; W156-L259 HydrophobicContact CG-CD1 4.01Å; W156-L259 HydrophobicContact CH2-CD2 4.01Å; W156-L259 HydrophobicContact CH2-CG 4.19Å; W156-L259 HydrophobicContact CZ2-CD2 3.89Å; W156-L259 HydrophobicContact CZ2-CG 4.45Å; W156-L259 HydrophobicContact CZ3-CD1 4.38Å; W156-L259 HydrophobicContact CZ3-CD2 4.15Å; W156-L259 HydrophobicContact CZ3-CG 3.82Å; W156-T313 HydrophobicContact CB-CG2 4.12Å
157	G	98.9	Very high	98.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.7	-41	176.5	0	0	0	0	0	112.3	A153 R154 R155 K161 G162 I163	A153-G157 PolarHBondContact O-N 3.46Å; R154-G157 PolarHBondContact O-N 3.49Å; R155-G157 VanDerWaalsContact C-N 3.33Å; R155-G157 PolarHBondContact O-N 2.91Å; G157-K161 CarbonylContact O-C 3.58Å; G157-K161 WeakPolarHBondContact O-CB 3.37Å; G157-G162 PolarHBondContact O-N 2.87Å; G157-G162 VanDerWaalsContact O-N 3.08Å; G157-I163 WeakPolarHBondContact O-CB 3.49Å; G157-I163 PolarHBondContact O-N 2.93Å
158	Y	98.9	Very high	98.9	Very high	42 Å²	42	55.6 Å²	55.6	17%	0.165	27%	0.266	C	S	.	.	H	α-helix	trans	-75.4	-44.9	177.1	-52.9	-41.6	0	0	0	113.4	R154 R155 W156 I163 Y166 A168	R154-Y158 HydrophobicContact CB-CE2 3.87Å; R154-Y158 WeakPolarHBondContact O-CD2 3.5Å; R154-Y158 VanDerWaalsContact O-CE2 3.27Å; R154-Y158 WeakPolarHBondContact O-CE2 3.39Å; R154-Y158 PolarHBondContact O-N 2.83Å; R155-Y158 PolarHBondContact O-N 2.55Å; W156-Y158 VanDerWaalsContact C-N 3.26Å; W156-Y158 PolarHBondContact O-N 2.73Å; Y158-I163 HydrophobicContact CD1-CB 4.44Å; Y158-Y166 VanDerWaalsContact CZ-N 3.34Å; Y158-Y166 VanDerWaalsContact OH-CA 3.31Å; Y158-Y166 WeakPolarHBondContact OH-CA 3.46Å; Y158-Y166 PolarHBondContact OH-N 3.19Å; Y158-A168 HydrophobicContact CD1-CB 4.17Å; Y158-A168 HydrophobicContact CE1-CB 3.34Å
159	T	98.8	Very high	98.9	Very high	81 Å²	81	58.2 Å²	58.2	50%	0.497	28%	0.278	S	S	.	.	H	α-helix	trans	-94	-22.1	-166.8	59.5	0	0	0	0	114.1	R155 W156	R155-T159 PolarHBondContact O-N 2.71Å; R155-T159 PolarHBondContact O-OG1 3.35Å; W156-T159 PolarHBondContact O-N 3.06Å
160	V	98.8	Very high	98.9	Very high	74 Å²	74	58.2 Å²	58.2	45%	0.448	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-54.5	-177.3	-175.3	0	0	0	0	110.6	W156 G162 T313	W156-V160 HydrophobicContact CD2-CB 4.39Å; W156-V160 HydrophobicContact CG-CB 4.16Å; W156-V160 HydrophobicContact CG-CG2 4.25Å; W156-V160 WeakPolarHBondContact O-CA 3.49Å; W156-V160 WeakPolarHBondContact O-CB 3.3Å; W156-V160 PolarHBondContact O-N 2.99Å; V160-G162 VanDerWaalsContact C-N 3.27Å; V160-G162 PolarHBondContact O-N 2.9Å; V160-T313 HydrophobicContact CG2-CG2 3.89Å
161	K	98.8	Very high	98.9	Very high	39 Å²	39	58 Å²	58	17%	0.17	28%	0.276	C	S	.	.	S	Bend	trans	-72	-21.1	178.3	-169.7	171.7	-179.8	169	0	113	W156 G157 I163 P222 V224 H256 Q257	W156-K161 HydrophobicContact CE3-CB 4.33Å; W156-K161 HydrophobicContact CH2-CB 3.92Å; W156-K161 HydrophobicContact CH2-CD 3.95Å; W156-K161 HydrophobicContact CH2-CG 4.34Å; W156-K161 HydrophobicContact CZ2-CB 4.48Å; W156-K161 HydrophobicContact CZ3-CB 3.84Å; W156-K161 HydrophobicContact CZ3-CD 3.8Å; W156-K161 HydrophobicContact CZ3-CG 4.38Å; W156-K161 PolarHBondContact O-N 2.79Å; W156-K161 VanDerWaalsContact O-N 3.14Å; G157-K161 CarbonylContact O-C 3.58Å; G157-K161 WeakPolarHBondContact O-CB 3.37Å; K161-I163 HydrophobicContact CB-CD1 4.48Å; K161-I163 HydrophobicContact CB-CG1 4.47Å; K161-I163 HydrophobicContact CD-CD1 3.87Å; K161-I163 HydrophobicContact CD-CG1 4.29Å; K161-I163 HydrophobicContact CG-CD1 4.3Å; K161-I163 HydrophobicContact CG-CG1 4.24Å; K161-P222 WeakPolarHBondContact CE-O 3.4Å; K161-V224 PolarHBondContact NZ-O 2.94Å; K161-H256 PolarHBondContact NZ-O 2.88Å; K161-H256 VanDerWaalsContact NZ-O 3.09Å; K161-Q257 VanDerWaalsContact CD-O 3.28Å; K161-Q257 WeakPolarHBondContact CD-O 3.16Å; K161-Q257 VanDerWaalsContact CE-O 3.27Å; K161-Q257 WeakPolarHBondContact CE-O 3.43Å; K161-Q257 PolarHBondContact NZ-O 3.46Å
162	G	98.8	Very high	98.9	Very high	60 Å²	60	53.7 Å²	53.7	62%	0.619	26%	0.257	S	S	*	.			trans	82.4	18.7	176.1	0	0	0	0	0	114.7	G157 V160	G157-G162 PolarHBondContact O-N 2.87Å; G157-G162 VanDerWaalsContact O-N 3.08Å; V160-G162 VanDerWaalsContact C-N 3.27Å; V160-G162 PolarHBondContact O-N 2.9Å
163	I	98.8	Very high	98.9	Very high	13 Å²	13	53.7 Å²	53.7	7%	0.067	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63	137.2	175.1	-62.4	164.6	0	0	0	109.3	G157 Y158 K161 K165 K167 A168 N223 A225	G157-I163 WeakPolarHBondContact O-CB 3.49Å; G157-I163 PolarHBondContact O-N 2.93Å; Y158-I163 HydrophobicContact CD1-CB 4.44Å; K161-I163 HydrophobicContact CB-CD1 4.48Å; K161-I163 HydrophobicContact CB-CG1 4.47Å; K161-I163 HydrophobicContact CD-CD1 3.87Å; K161-I163 HydrophobicContact CD-CG1 4.29Å; K161-I163 HydrophobicContact CG-CD1 4.3Å; K161-I163 HydrophobicContact CG-CG1 4.24Å; I163-K165 PolarHBondContact O-N 2.91Å; I163-K167 HydrophobicContact CG2-CB 4.06Å; I163-A168 HydrophobicContact CD1-CB 4.37Å; I163-A168 HydrophobicContact CG2-CB 4.2Å; I163-N223 WeakPolarHBondContact CD1-O 3.31Å; I163-N223 HydrophobicContact CG2-CB 4.13Å; I163-A225 HydrophobicContact CD1-CB 4.17Å
164	Q	98.8	Very high	98.9	Very high	137 Å²	137	55.3 Å²	55.3	64%	0.64	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-55.6	136.1	174.9	-177	-179	65.6	0	0	110.2	Y166 K167	Q164-Y166 PolarHBondContact O-N 3.4Å; Q164-K167 HydrophobicContact CB-CB 4.38Å; Q164-K167 HydrophobicContact CB-CG 3.89Å; Q164-K167 HydrophobicContact CG-CG 4.15Å; Q164-K167 WeakPolarHBondContact O-CB 3.47Å; Q164-K167 PolarHBondContact O-N 3.25Å
165	K	98.7	Very high	98.8	Very high	158 Å²	158	54.2 Å²	54.2	69%	0.687	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	129.8	-177.7	-72.6	-178	177	176.5	0	111.5	I163 K167	I163-K165 PolarHBondContact O-N 2.91Å; K165-K167 PolarHBondContact O-N 3.08Å
166	Y	98.6	Very high	98.8	Very high	197 Å²	197	50.7 Å²	50.7	77%	0.773	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	13.9	179.8	-46.3	-67	0	0	0	115.8	Y158 Q164	Y158-Y166 VanDerWaalsContact CZ-N 3.34Å; Y158-Y166 VanDerWaalsContact OH-CA 3.31Å; Y158-Y166 WeakPolarHBondContact OH-CA 3.46Å; Y158-Y166 PolarHBondContact OH-N 3.19Å; Q164-Y166 PolarHBondContact O-N 3.4Å
167	K	98.8	Very high	98.8	Very high	115 Å²	115	52.6 Å²	52.6	50%	0.5	27%	0.271	S	S	.	.			trans	-95.5	-8.4	166.9	-57	-57	-175.5	178	0	113.3	I163 Q164 K165 K169 N223	I163-K167 HydrophobicContact CG2-CB 4.06Å; Q164-K167 HydrophobicContact CB-CB 4.38Å; Q164-K167 HydrophobicContact CB-CG 3.89Å; Q164-K167 HydrophobicContact CG-CG 4.15Å; Q164-K167 WeakPolarHBondContact O-CB 3.47Å; Q164-K167 PolarHBondContact O-N 3.25Å; K165-K167 PolarHBondContact O-N 3.08Å; K167-K169 PolarHBondContact O-N 3.09Å; K167-N223 WeakPolarHBondContact O-CB 3.35Å
168	A	98.9	Very high	98.8	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	27%	0.274	C	S	.	.			trans	-62.2	131.7	-179.7	0	0	0	0	0	111.2	R154 Y158 I163 N223 A225	R154-A168 HydrophobicContact CG-CB 4.3Å; Y158-A168 HydrophobicContact CD1-CB 4.17Å; Y158-A168 HydrophobicContact CE1-CB 3.34Å; I163-A168 HydrophobicContact CD1-CB 4.37Å; I163-A168 HydrophobicContact CG2-CB 4.2Å; A168-N223 CarbonylContact C-O 3.43Å; A168-N223 WeakPolarHBondContact CA-O 3.22Å; A168-A225 HydrophobicContact CB-CB 4.1Å
169	K	98.9	Very high	98.8	Very high	54 Å²	54	51.8 Å²	51.8	24%	0.235	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	150	176.2	-67.1	169.8	158.5	-157.7	0	110.9	K167 G203 D205 D221 N223 V224 A225	K167-K169 PolarHBondContact O-N 3.09Å; K169-G203 CarbonylContact C-O 3.41Å; K169-G203 VanDerWaalsContact CA-O 3.25Å; K169-G203 WeakPolarHBondContact CA-O 3.37Å; K169-D205 WeakPolarHBondContact CD-OD2 3.36Å; K169-D205 WeakPolarHBondContact CE-OD2 3.43Å; K169-D205 IonicContact NZ-OD2 3.24Å; K169-D205 PolarHBondContact NZ-OD2 3.17Å; K169-D221 VanDerWaalsContact CD-OD2 3.25Å; K169-D221 WeakPolarHBondContact CD-OD2 3.16Å; K169-D221 WeakPolarHBondContact CE-OD2 3.29Å; K169-D221 IonicContact NZ-OD2 2.72Å; K169-D221 PolarHBondContact NZ-OD2 3.13Å; K169-N223 PolarHBondContact N-O 2.94Å; K169-V224 HydrophobicContact CB-CG2 4.29Å; K169-A225 PolarHBondContact O-N 2.89Å
170	I	99	Very high	98.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.8	168.2	-59	-179.4	0	0	0	107.4	C150 A153 R154 F172 G203 F204 D205 A226 M228	C150-I170 HydrophobicContact CB-CD1 3.85Å; A153-I170 HydrophobicContact CB-CD1 4.12Å; R154-I170 HydrophobicContact CG-CD1 4.23Å; I170-F172 HydrophobicContact CB-CE2 3.85Å; I170-F172 HydrophobicContact CB-CZ 4.45Å; I170-F172 HydrophobicContact CG2-CD2 4.06Å; I170-F172 HydrophobicContact CG2-CE2 3.42Å; I170-F172 VanDerWaalsContact CG2-CE2 3.42Å; I170-F172 HydrophobicContact CG2-CZ 3.72Å; I170-G203 PolarHBondContact N-O 3.37Å; I170-F204 HydrophobicContact CB-CD1 4Å; I170-F204 HydrophobicContact CB-CE1 4.11Å; I170-F204 HydrophobicContact CD1-CE1 4.14Å; I170-F204 HydrophobicContact CG1-CE1 4.4Å; I170-F204 WeakPolarHBondContact O-CA 3.28Å; I170-D205 PolarHBondContact O-N 3.36Å; I170-A226 WeakPolarHBondContact CA-O 3.4Å; I170-A226 HydrophobicContact CG1-CB 4.43Å; I170-A226 HydrophobicContact CG2-CB 4.28Å; I170-M228 HydrophobicContact CG2-CB 4.39Å
171	V	98.9	Very high	98.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.6	177.3	-177.9	0	0	0	0	108.7	D205 I207 A218 V224 A226 F227 M228	V171-D205 CarbonylContact C-O 3.59Å; V171-D205 WeakPolarHBondContact CA-O 3.4Å; V171-D205 HydrophobicContact CG2-CB 4.37Å; V171-I207 HydrophobicContact CG1-CB 4.49Å; V171-I207 HydrophobicContact CG1-CD1 3.9Å; V171-I207 HydrophobicContact CG1-CG1 3.83Å; V171-I207 HydrophobicContact CG1-CG2 3.97Å; V171-A218 HydrophobicContact CG1-CB 4.36Å; V171-A218 HydrophobicContact CG2-CB 4.17Å; V171-V224 HydrophobicContact CG2-CG1 3.82Å; V171-V224 HydrophobicContact CG2-CG2 4.08Å; V171-A226 PolarHBondContact N-O 3.29Å; V171-F227 HydrophobicContact CB-CD2 3.85Å; V171-F227 HydrophobicContact CG1-CD2 3.73Å; V171-F227 HydrophobicContact CG1-CE2 4.08Å; V171-F227 WeakPolarHBondContact O-CA 3.47Å; V171-F227 VanDerWaalsContact O-CD2 3.31Å; V171-F227 WeakPolarHBondContact O-CD2 3.46Å; V171-M228 PolarHBondContact O-N 2.99Å
172	F	98.9	Very high	98.8	Very high	1 Å²	1	57 Å²	57	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.6	174	-66.2	-97.9	0	0	0	110.1	I170 W178 F204 D205 I206 I207 M228	I170-F172 HydrophobicContact CB-CE2 3.85Å; I170-F172 HydrophobicContact CB-CZ 4.45Å; I170-F172 HydrophobicContact CG2-CD2 4.06Å; I170-F172 HydrophobicContact CG2-CE2 3.42Å; I170-F172 VanDerWaalsContact CG2-CE2 3.42Å; I170-F172 HydrophobicContact CG2-CZ 3.72Å; F172-W178 AromaticContact CE1-CE2 3.94Å; F172-W178 HydrophobicContact CE1-CZ2 4.25Å; F172-W178 AromaticContact CE1-NE1 3.66Å; F172-W178 HydrophobicContact CZ-CZ2 4.18Å; F172-F204 HydrophobicContact CD2-CB 4.25Å; F172-F204 HydrophobicContact CD2-CD1 4.45Å; F172-F204 HydrophobicContact CD2-CG 4.27Å; F172-F204 HydrophobicContact CE2-CB 4.15Å; F172-F204 AromaticContact CE2-CD1 3.58Å; F172-F204 HydrophobicContact CE2-CD1 3.58Å; F172-F204 HydrophobicContact CE2-CD2 4.06Å; F172-F204 AromaticContact CE2-CE1 3.89Å; F172-F204 HydrophobicContact CE2-CE1 3.89Å; F172-F204 HydrophobicContact CE2-CE2 4.32Å; F172-F204 AromaticContact CE2-CG 3.68Å; F172-F204 HydrophobicContact CE2-CG 3.68Å; F172-F204 HydrophobicContact CE2-CZ 4.24Å; F172-F204 HydrophobicContact CZ-CD1 4.4Å; F172-F204 HydrophobicContact CZ-CE1 4.29Å; F172-F204 HydrophobicContact CZ-CE2 4.48Å; F172-F204 HydrophobicContact CZ-CZ 4.32Å; F172-D205 PolarHBondContact N-O 3.41Å; F172-I206 WeakPolarHBondContact O-CA 3.41Å; F172-I207 PolarHBondContact O-N 2.84Å; F172-M228 HydrophobicContact CD1-CB 4.01Å; F172-M228 HydrophobicContact CD1-CG 4.3Å; F172-M228 HydrophobicContact CD1-SD 4.49Å; F172-M228 HydrophobicContact CE1-CB 3.8Å; F172-M228 HydrophobicContact CE1-CG 3.96Å; F172-M228 HydrophobicContact CE1-SD 3.63Å; F172-M228 HydrophobicContact CZ-CB 4.4Å; F172-M228 HydrophobicContact CZ-SD 4.31Å
173	A	98.9	Very high	98.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.5	171.4	0	0	0	0	0	111.5	N176 I207 Y209 V229	A173-N176 WeakPolarHBondContact O-CB 3.19Å; A173-N176 PolarHBondContact O-N 3.49Å; A173-N176 VanDerWaalsContact O-N 3.17Å; A173-N176 PolarHBondContact O-ND2 2.79Å; A173-I207 CarbonylContact C-O 3.53Å; A173-I207 VanDerWaalsContact CA-O 3.29Å; A173-I207 WeakPolarHBondContact CA-O 3.23Å; A173-Y209 HydrophobicContact CB-CD2 3.66Å; A173-Y209 HydrophobicContact CB-CG 4.29Å; A173-V229 HydrophobicContact CB-CG2 4.34Å
174	A	98.9	Very high	98.8	Very high	34 Å²	34	54.3 Å²	54.3	28%	0.281	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	142.4	171.2	0	0	0	0	0	110.1	N176 T189 I206 I207 Q233	A174-N176 VanDerWaalsContact C-N 3.31Å; A174-T189 HydrophobicContact CB-CG2 4.02Å; A174-I206 HydrophobicContact CB-CG2 3.92Å; A174-I207 PolarHBondContact N-O 3.11Å; A174-Q233 PolarHBondContact O-NE2 3.29Å
175	G	98.3	Very high	98.8	Very high	25 Å²	25	48.2 Å²	48.2	26%	0.258	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	2.3	-172.4	0	0	0	0	0	115.3	T189	G175-T189 PolarHBondContact N-OG1 3.21Å
176	N	98.8	Very high	98.8	Very high	14 Å²	14	41.6 Å²	41.6	8%	0.075	21%	0.205	C	C	.	.			trans	-61.3	148.6	176.4	71.6	93.3	0	0	0	112.7	A173 A174 W178 S187	A173-N176 WeakPolarHBondContact O-CB 3.19Å; A173-N176 PolarHBondContact O-N 3.49Å; A173-N176 VanDerWaalsContact O-N 3.17Å; A173-N176 PolarHBondContact O-ND2 2.79Å; A174-N176 VanDerWaalsContact C-N 3.31Å; N176-W178 VanDerWaalsContact OD1-CD1 3.26Å; N176-S187 PolarHBondContact ND2-O 3.07Å
177	F	98.8	Very high	98.8	Very high	57 Å²	57	32.2 Å²	32.2	25%	0.25	17%	0.168	C	C	.	.			trans	-140.2	116.3	166.9	178.4	-91.2	0	0	0	111.1	E230 E235	F177-E230 PolarHBondContact N-OE1 3.41Å; F177-E235 HydrophobicContact CB-CB 3.68Å; F177-E235 HydrophobicContact CB-CG 4.24Å; F177-E235 HydrophobicContact CD1-CB 4.3Å; F177-E235 HydrophobicContact CD2-CG 4.35Å; F177-E235 HydrophobicContact CG-CB 3.96Å; F177-E235 HydrophobicContact CG-CG 4.13Å
178	W	98.8	Very high	98.8	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.045	15%	0.15	C	C	.	.			trans	-131.1	5.9	177.8	62.9	-80.2	0	0	0	113.5	V143 E147 F172 N176 A184 S187 F204 M228	V143-W178 WeakPolarHBondContact CA-O 3.28Å; V143-W178 HydrophobicContact CG2-CE3 4.16Å; V143-W178 HydrophobicContact CG2-CZ3 4.19Å; E147-W178 HydrophobicContact CG-CZ3 4.06Å; F172-W178 AromaticContact CE1-CE2 3.94Å; F172-W178 HydrophobicContact CE1-CZ2 4.25Å; F172-W178 AromaticContact CE1-NE1 3.66Å; F172-W178 HydrophobicContact CZ-CZ2 4.18Å; N176-W178 VanDerWaalsContact OD1-CD1 3.26Å; W178-A184 HydrophobicContact CD2-CB 3.78Å; W178-A184 HydrophobicContact CE3-CB 3.96Å; W178-A184 HydrophobicContact CG-CB 4.43Å; W178-A184 HydrophobicContact CH2-CB 4.01Å; W178-A184 HydrophobicContact CZ2-CB 3.82Å; W178-A184 HydrophobicContact CZ3-CB 4.05Å; W178-S187 PolarHBondContact NE1-OG 2.85Å; W178-F204 HydrophobicContact CZ2-CE2 4.42Å; W178-M228 HydrophobicContact CB-CE 3.62Å; W178-M228 HydrophobicContact CD2-CE 4.11Å; W178-M228 HydrophobicContact CE3-CE 4.44Å; W178-M228 HydrophobicContact CG-CE 3.81Å
179	G	98.4	Very high	98.8	Very high	13 Å²	13	30.6 Å²	30.6	13%	0.134	17%	0.168	C	C	.	.			trans	151.8	-163.2	175.5	0	0	0	0	0	115.3
180	R	98.8	Very high	98.7	Very high	149 Å²	149	30.9 Å²	30.9	56%	0.562	17%	0.172	S	C	*	.	S	Bend	trans	-134.3	16.1	-174.5	-62.3	-68.9	-171.1	156.5	-8.2	113.3	S193	R180-S193 PolarHBondContact NH1-OG 3.08Å
181	T	98.9	Very high	98.7	Very high	44 Å²	44	34.6 Å²	34.6	27%	0.27	20%	0.195	S	C	.	.	S	Bend	trans	-72.1	164.9	169	56.7	0	0	0	0	110.1	V143 E147 S183 A184 I185	V143-T181 HydrophobicContact CG1-CG2 4.13Å; V143-T181 HydrophobicContact CG2-CG2 3.55Å; V143-T181 WeakPolarHBondContact CG2-OG1 3.42Å; E147-T181 HydrophobicContact CG-CG2 4.45Å; E147-T181 WeakPolarHBondContact OE1-CB 3.34Å; E147-T181 PolarHBondContact OE1-OG1 2.78Å; T181-S183 PolarHBondContact O-N 2.94Å; T181-A184 PolarHBondContact O-N 2.87Å; T181-A184 PolarHBondContact OG1-N 2.69Å; T181-I185 PolarHBondContact O-N 3.47Å
182	L	98.9	Very high	98.6	Very high	109 Å²	109	39.7 Å²	39.7	57%	0.571	23%	0.226	S	C	*	.	H	α-helix	trans	-55.6	-40.4	174.8	-70.2	176.6	0	0	0	111.8	I185 S186 F197	L182-I185 HydrophobicContact CD2-CD1 4.07Å; L182-I185 WeakPolarHBondContact O-CG1 3.31Å; L182-S186 WeakPolarHBondContact O-CB 3.22Å; L182-S186 PolarHBondContact O-N 3.43Å; L182-S186 VanDerWaalsContact O-N 3.08Å; L182-S186 PolarHBondContact O-OG 2.83Å; L182-F197 HydrophobicContact CD2-CB 4.39Å; L182-F197 WeakPolarHBondContact CD2-O 3.44Å
183	S	98.9	Very high	98.5	Very high	15 Å²	15	39.9 Å²	39.9	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.1	-48	0	0	0	0	111.4	E147 T181 S186 S187 F204	E147-S183 WeakPolarHBondContact OE1-CB 3.31Å; E147-S183 PolarHBondContact OE1-OG 2.94Å; E147-S183 VanDerWaalsContact OE1-OG 3.08Å; E147-S183 WeakPolarHBondContact OE2-CB 3.26Å; E147-S183 PolarHBondContact OE2-OG 3.18Å; E147-S183 VanDerWaalsContact OE2-OG 3.11Å; T181-S183 PolarHBondContact O-N 2.94Å; S183-S186 WeakPolarHBondContact O-CB 3.26Å; S183-S186 PolarHBondContact O-N 2.88Å; S183-S186 VanDerWaalsContact O-N 3.16Å; S183-S187 PolarHBondContact O-N 3.28Å; S183-F204 WeakPolarHBondContact O-CE2 3.31Å
184	A	98.9	Very high	98.5	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-47.4	-179.1	0	0	0	0	0	113.3	V143 W178 T181 S186 S187 S188	V143-A184 HydrophobicContact CG2-CB 4.19Å; W178-A184 HydrophobicContact CD2-CB 3.78Å; W178-A184 HydrophobicContact CE3-CB 3.96Å; W178-A184 HydrophobicContact CG-CB 4.43Å; W178-A184 HydrophobicContact CH2-CB 4.01Å; W178-A184 HydrophobicContact CZ2-CB 3.82Å; W178-A184 HydrophobicContact CZ3-CB 4.05Å; T181-A184 PolarHBondContact O-N 2.87Å; T181-A184 PolarHBondContact OG1-N 2.69Å; A184-S186 PolarHBondContact O-N 2.78Å; A184-S187 PolarHBondContact O-N 3.42Å; A184-S187 PolarHBondContact O-OG 3.04Å; A184-S188 PolarHBondContact O-N 3.18Å
185	I	98.8	Very high	98.5	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-70.9	-20.4	179	71.3	-179.2	0	0	0	111.9	T181 L182 S187 S188 S193 Y194 F197	T181-I185 PolarHBondContact O-N 3.47Å; L182-I185 HydrophobicContact CD2-CD1 4.07Å; L182-I185 WeakPolarHBondContact O-CG1 3.31Å; I185-S187 VanDerWaalsContact C-N 3.27Å; I185-S187 PolarHBondContact O-N 2.94Å; I185-S188 WeakPolarHBondContact O-CB 3.31Å; I185-S188 PolarHBondContact O-N 3.27Å; I185-S193 WeakPolarHBondContact CB-O 3.48Å; I185-S193 VanDerWaalsContact CG2-O 3.23Å; I185-S193 WeakPolarHBondContact CG2-O 3.47Å; I185-Y194 WeakPolarHBondContact O-CB 3.15Å; I185-F197 HydrophobicContact CD1-CB 3.39Å; I185-F197 HydrophobicContact CD1-CD2 3.91Å; I185-F197 HydrophobicContact CD1-CG 3.86Å
186	S	98.9	Very high	98.5	Very high	20 Å²	20	49.4 Å²	49.4	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-70.9	-18.1	174.4	-60.2	0	0	0	0	114	L182 S183 A184 F200 M201	L182-S186 WeakPolarHBondContact O-CB 3.22Å; L182-S186 PolarHBondContact O-N 3.43Å; L182-S186 VanDerWaalsContact O-N 3.08Å; L182-S186 PolarHBondContact O-OG 2.83Å; S183-S186 WeakPolarHBondContact O-CB 3.26Å; S183-S186 PolarHBondContact O-N 2.88Å; S183-S186 VanDerWaalsContact O-N 3.16Å; A184-S186 PolarHBondContact O-N 2.78Å; S186-F200 WeakPolarHBondContact OG-CA 2.98Å; S186-F200 WeakPolarHBondContact OG-CB 3.34Å; S186-M201 PolarHBondContact OG-N 3.09Å
187	S	98.8	Very high	98.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	6.9	170.7	62.1	0	0	0	0	113.5	N176 W178 S183 A184 I185 I206	N176-S187 PolarHBondContact ND2-O 3.07Å; W178-S187 PolarHBondContact NE1-OG 2.85Å; S183-S187 PolarHBondContact O-N 3.28Å; A184-S187 PolarHBondContact O-N 3.42Å; A184-S187 PolarHBondContact O-OG 3.04Å; I185-S187 VanDerWaalsContact C-N 3.27Å; I185-S187 PolarHBondContact O-N 2.94Å; S187-I206 WeakPolarHBondContact O-CD1 3.16Å
188	S	98.7	Very high	98.4	Very high	17 Å²	17	53.8 Å²	53.8	12%	0.119	31%	0.311	C	S	.	.			trans	-80.6	148.1	177.8	-171.9	0	0	0	0	111.9	A184 I185 D190	A184-S188 PolarHBondContact O-N 3.18Å; I185-S188 WeakPolarHBondContact O-CB 3.31Å; I185-S188 PolarHBondContact O-N 3.27Å; S188-D190 PolarHBondContact OG-N 3.02Å; S188-D190 VanDerWaalsContact OG-N 3.12Å
189	T	98.6	Very high	98.4	Very high	67 Å²	67	59.4 Å²	59.4	41%	0.411	35%	0.35	S	S	.	.			trans	-106.8	5.1	168	57.9	0	0	0	0	112.6	A174 G175 I206	A174-T189 HydrophobicContact CB-CG2 4.02Å; G175-T189 PolarHBondContact N-OG1 3.21Å; T189-I206 HydrophobicContact CG2-CD1 3.81Å; T189-I206 HydrophobicContact CG2-CG2 3.81Å
190	D	97.7	Very high	98.4	Very high	59 Å²	59	63.4 Å²	63.4	32%	0.316	36%	0.363	S	S	.	.			trans	-91.6	114.7	175.1	160.9	30.9	0	0	0	109.9	S188 T192 S193 Y194	S188-D190 PolarHBondContact OG-N 3.02Å; S188-D190 VanDerWaalsContact OG-N 3.12Å; D190-T192 PolarHBondContact O-N 3.17Å; D190-T192 WeakPolarHBondContact OD1-CB 3.42Å; D190-T192 PolarHBondContact OD1-N 3.27Å; D190-T192 PolarHBondContact OD1-OG1 3.29Å; D190-T192 PolarHBondContact OD2-OG1 3.11Å; D190-S193 WeakPolarHBondContact O-CB 3.41Å; D190-S193 PolarHBondContact O-N 3.01Å; D190-S193 PolarHBondContact OD2-OG 2.86Å; D190-Y194 VanDerWaalsContact C-CE1 3.48Å; D190-Y194 WeakPolarHBondContact O-CD1 3.23Å; D190-Y194 WeakPolarHBondContact O-CE1 3.36Å; D190-Y194 PolarHBondContact O-N 3.05Å
191	V	97.7	Very high	98.4	Very high	79 Å²	79	59.3 Å²	59.3	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-53	-39.7	-178.7	-178.4	0	0	0	0	111.7	S193 Y194 D195	V191-S193 PolarHBondContact O-N 2.98Å; V191-Y194 VanDerWaalsContact CA-CE1 3.5Å; V191-Y194 HydrophobicContact CG2-CE1 4.43Å; V191-Y194 PolarHBondContact O-N 2.98Å; V191-D195 HydrophobicContact CG1-CB 4.07Å; V191-D195 VanDerWaalsContact O-CB 3.26Å; V191-D195 WeakPolarHBondContact O-CB 3.17Å; V191-D195 PolarHBondContact O-N 2.81Å
192	T	96.9	Very high	98.4	Very high	106 Å²	106	62 Å²	62	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-67.7	-19	-177.5	72.2	0	0	0	0	112.8	D190	D190-T192 PolarHBondContact O-N 3.17Å; D190-T192 WeakPolarHBondContact OD1-CB 3.42Å; D190-T192 PolarHBondContact OD1-N 3.27Å; D190-T192 PolarHBondContact OD1-OG1 3.29Å; D190-T192 PolarHBondContact OD2-OG1 3.11Å
193	S	97.5	Very high	98.4	Very high	5 Å²	5	58 Å²	58	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-85.6	-35.6	178	-70	0	0	0	0	112.9	R180 I185 D190 V191	R180-S193 PolarHBondContact NH1-OG 3.08Å; I185-S193 WeakPolarHBondContact CB-O 3.48Å; I185-S193 VanDerWaalsContact CG2-O 3.23Å; I185-S193 WeakPolarHBondContact CG2-O 3.47Å; D190-S193 WeakPolarHBondContact O-CB 3.41Å; D190-S193 PolarHBondContact O-N 3.01Å; D190-S193 PolarHBondContact OD2-OG 2.86Å; V191-S193 PolarHBondContact O-N 2.98Å
194	Y	98.1	Very high	98.4	Very high	72 Å²	72	58.5 Å²	58.5	28%	0.282	36%	0.355	S	S	.	.	H	α-helix	trans	-111.2	-19.6	-171.3	68.3	-106.4	0	0	0	115.8	I185 D190 V191 G196 F197 F200	I185-Y194 WeakPolarHBondContact O-CB 3.15Å; D190-Y194 VanDerWaalsContact C-CE1 3.48Å; D190-Y194 WeakPolarHBondContact O-CD1 3.23Å; D190-Y194 WeakPolarHBondContact O-CE1 3.36Å; D190-Y194 PolarHBondContact O-N 3.05Å; V191-Y194 VanDerWaalsContact CA-CE1 3.5Å; V191-Y194 HydrophobicContact CG2-CE1 4.43Å; V191-Y194 PolarHBondContact O-N 2.98Å; Y194-G196 PolarHBondContact O-N 3.08Å; Y194-F197 PolarHBondContact O-N 3.11Å; Y194-F200 AromaticContact CD2-CZ 3.93Å; Y194-F200 HydrophobicContact CD2-CZ 3.93Å; Y194-F200 HydrophobicContact CG-CZ 4.41Å; Y194-F200 WeakPolarHBondContact O-CE1 3.36Å; Y194-F200 WeakPolarHBondContact O-CZ 3.39Å
195	D	98.6	Very high	98.4	Very high	115 Å²	115	61.2 Å²	61.2	62%	0.615	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	137.7	-175	-170.3	30.4	0	0	0	112.1	V191 F197	V191-D195 HydrophobicContact CG1-CB 4.07Å; V191-D195 VanDerWaalsContact O-CB 3.26Å; V191-D195 WeakPolarHBondContact O-CB 3.17Å; V191-D195 PolarHBondContact O-N 2.81Å; D195-F197 WeakPolarHBondContact O-CD2 3.4Å; D195-F197 PolarHBondContact O-N 2.59Å
196	G	98.6	Very high	98.4	Very high	74 Å²	74	64.1 Å²	64.1	76%	0.763	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	0.4	-178.3	0	0	0	0	0	117	Y194	Y194-G196 PolarHBondContact O-N 3.08Å
197	F	98.7	Very high	98.4	Very high	117 Å²	117	63.9 Å²	63.9	51%	0.513	38%	0.382	S	S	.	.	S	Bend	trans	-107.1	5.2	-175.3	-63.6	-60.8	0	0	0	115.7	L182 I185 Y194 D195	L182-F197 HydrophobicContact CD2-CB 4.39Å; L182-F197 WeakPolarHBondContact CD2-O 3.44Å; I185-F197 HydrophobicContact CD1-CB 3.39Å; I185-F197 HydrophobicContact CD1-CD2 3.91Å; I185-F197 HydrophobicContact CD1-CG 3.86Å; Y194-F197 PolarHBondContact O-N 3.11Å; D195-F197 WeakPolarHBondContact O-CD2 3.4Å; D195-F197 PolarHBondContact O-N 2.59Å
198	G	97.9	Very high	98.4	Very high	45 Å²	45	67.2 Å²	67.2	46%	0.464	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-69.6	170.6	-177.9	0	0	0	0	0	115.1
199	P	98.4	Very high	98.4	Very high	131 Å²	131	67.7 Å²	67.7	85%	0.851	40%	0.403	S	S	*	.	S	Bend	cis	-78.4	155.9	5.3	32.4	-36.1	0	0	0	113.7
200	F	98.8	Very high	98.4	Very high	96 Å²	96	67 Å²	67	42%	0.421	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-91.7	156.6	-171.6	-55.8	-57.8	0	0	0	113.7	S186 Y194 P202	S186-F200 WeakPolarHBondContact OG-CA 2.98Å; S186-F200 WeakPolarHBondContact OG-CB 3.34Å; Y194-F200 AromaticContact CD2-CZ 3.93Å; Y194-F200 HydrophobicContact CD2-CZ 3.93Å; Y194-F200 HydrophobicContact CG-CZ 4.41Å; Y194-F200 WeakPolarHBondContact O-CE1 3.36Å; Y194-F200 WeakPolarHBondContact O-CZ 3.39Å; F200-P202 WeakPolarHBondContact O-CD 3.37Å
201	M	98.6	Very high	98.5	Very high	63 Å²	63	66.3 Å²	66.3	31%	0.31	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-60.9	119.4	173.8	174.6	58	65.1	0	0	110.3	R154 S186 F204	R154-M201 PolarHBondContact NH1-SD 3.2Å; S186-M201 PolarHBondContact OG-N 3.09Å; M201-F204 HydrophobicContact CB-CD2 4.29Å; M201-F204 HydrophobicContact CB-CE2 4.06Å; M201-F204 HydrophobicContact CG-CD2 4.04Å; M201-F204 HydrophobicContact CG-CE1 4.32Å; M201-F204 HydrophobicContact CG-CE2 3.62Å; M201-F204 HydrophobicContact CG-CZ 3.79Å
202	P	98.7	Very high	98.5	Very high	100 Å²	100	65 Å²	65	65%	0.649	38%	0.383	S	S	*	.	S	Bend	trans	-74.7	164.8	174.5	32.1	-36.6	0	0	0	111.8	R154 F200	R154-P202 PolarHBondContact NH2-O 2.94Å; F200-P202 WeakPolarHBondContact O-CD 3.37Å
203	G	98.6	Very high	98.6	Very high	27 Å²	27	63.3 Å²	63.3	28%	0.278	37%	0.373	S	S	.	.	S	Bend	trans	79.7	20.6	175.9	0	0	0	0	0	113.9	K169 I170	K169-G203 CarbonylContact C-O 3.41Å; K169-G203 VanDerWaalsContact CA-O 3.25Å; K169-G203 WeakPolarHBondContact CA-O 3.37Å; I170-G203 PolarHBondContact N-O 3.37Å
204	F	98.9	Very high	98.7	Very high	24 Å²	24	63.4 Å²	63.4	11%	0.105	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.4	166.5	-65.4	-18	0	0	0	109.2	I170 F172 W178 S183 M201	I170-F204 HydrophobicContact CB-CD1 4Å; I170-F204 HydrophobicContact CB-CE1 4.11Å; I170-F204 HydrophobicContact CD1-CE1 4.14Å; I170-F204 HydrophobicContact CG1-CE1 4.4Å; I170-F204 WeakPolarHBondContact O-CA 3.28Å; F172-F204 HydrophobicContact CD2-CB 4.25Å; F172-F204 HydrophobicContact CD2-CD1 4.45Å; F172-F204 HydrophobicContact CD2-CG 4.27Å; F172-F204 HydrophobicContact CE2-CB 4.15Å; F172-F204 AromaticContact CE2-CD1 3.58Å; F172-F204 HydrophobicContact CE2-CD1 3.58Å; F172-F204 HydrophobicContact CE2-CD2 4.06Å; F172-F204 AromaticContact CE2-CE1 3.89Å; F172-F204 HydrophobicContact CE2-CE1 3.89Å; F172-F204 HydrophobicContact CE2-CE2 4.32Å; F172-F204 AromaticContact CE2-CG 3.68Å; F172-F204 HydrophobicContact CE2-CG 3.68Å; F172-F204 HydrophobicContact CE2-CZ 4.24Å; F172-F204 HydrophobicContact CZ-CD1 4.4Å; F172-F204 HydrophobicContact CZ-CE1 4.29Å; F172-F204 HydrophobicContact CZ-CE2 4.48Å; F172-F204 HydrophobicContact CZ-CZ 4.32Å; W178-F204 HydrophobicContact CZ2-CE2 4.42Å; S183-F204 WeakPolarHBondContact O-CE2 3.31Å; M201-F204 HydrophobicContact CB-CD2 4.29Å; M201-F204 HydrophobicContact CB-CE2 4.06Å; M201-F204 HydrophobicContact CG-CD2 4.04Å; M201-F204 HydrophobicContact CG-CE1 4.32Å; M201-F204 HydrophobicContact CG-CE2 3.62Å; M201-F204 HydrophobicContact CG-CZ 3.79Å
205	D	98.8	Very high	98.7	Very high	59 Å²	59	60 Å²	60	32%	0.316	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144	175.6	-69.3	-15.7	0	0	0	108.1	K169 I170 V171 F172	K169-D205 WeakPolarHBondContact CD-OD2 3.36Å; K169-D205 WeakPolarHBondContact CE-OD2 3.43Å; K169-D205 IonicContact NZ-OD2 3.24Å; K169-D205 PolarHBondContact NZ-OD2 3.17Å; I170-D205 PolarHBondContact O-N 3.36Å; V171-D205 CarbonylContact C-O 3.59Å; V171-D205 WeakPolarHBondContact CA-O 3.4Å; V171-D205 HydrophobicContact CG2-CB 4.37Å; F172-D205 PolarHBondContact N-O 3.41Å
206	I	98.9	Very high	98.7	Very high	70 Å²	70	58.2 Å²	58.2	36%	0.359	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.6	-176.9	-55.4	174.3	0	0	0	109.5	F172 A174 S187 T189	F172-I206 WeakPolarHBondContact O-CA 3.41Å; A174-I206 HydrophobicContact CB-CG2 3.92Å; S187-I206 WeakPolarHBondContact O-CD1 3.16Å; T189-I206 HydrophobicContact CG2-CD1 3.81Å; T189-I206 HydrophobicContact CG2-CG2 3.81Å
207	I	98.9	Very high	98.8	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	160.7	174.1	62.1	171.2	0	0	0	110.6	V171 F172 A173 A174 A214 L215 A218 F227	V171-I207 HydrophobicContact CG1-CB 4.49Å; V171-I207 HydrophobicContact CG1-CD1 3.9Å; V171-I207 HydrophobicContact CG1-CG1 3.83Å; V171-I207 HydrophobicContact CG1-CG2 3.97Å; F172-I207 PolarHBondContact O-N 2.84Å; A173-I207 CarbonylContact C-O 3.53Å; A173-I207 VanDerWaalsContact CA-O 3.29Å; A173-I207 WeakPolarHBondContact CA-O 3.23Å; A174-I207 PolarHBondContact N-O 3.11Å; I207-A214 HydrophobicContact CB-CB 4.2Å; I207-L215 HydrophobicContact CD1-CB 3.73Å; I207-L215 HydrophobicContact CD1-CD1 3.88Å; I207-L215 HydrophobicContact CD1-CG 4.4Å; I207-A218 HydrophobicContact CG2-CB 3.94Å; I207-F227 HydrophobicContact CD1-CE2 3.89Å; I207-F227 HydrophobicContact CD1-CZ 4.25Å; I207-F227 HydrophobicContact CG1-CE2 4.26Å
208	P	98.9	Very high	98.8	Very high	69 Å²	69	57.7 Å²	57.7	45%	0.448	33%	0.326	S	S	.	.			trans	-57.5	143.2	170.1	-23.6	34.9	0	0	0	112.3	D211	P208-D211 HydrophobicContact CB-CB 4.04Å
209	Y	98.9	Very high	98.8	Very high	28 Å²	28	55.8 Å²	55.8	11%	0.11	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	151.3	169.6	-172.2	-118.8	0	0	0	110.5	A173 D211 V229 E230 P231 Q233 V239 P241 Y245	A173-Y209 HydrophobicContact CB-CD2 3.66Å; A173-Y209 HydrophobicContact CB-CG 4.29Å; Y209-D211 VanDerWaalsContact C-N 3.28Å; Y209-D211 PolarHBondContact O-N 3.2Å; Y209-V229 HydrophobicContact CD2-CG2 3.93Å; Y209-V229 HydrophobicContact CE2-CG2 3.52Å; Y209-E230 WeakPolarHBondContact CE2-O 3.37Å; Y209-E230 PolarHBondContact OH-O 3.09Å; Y209-P231 VanDerWaalsContact OH-C 3.28Å; Y209-P231 PolarHBondContact OH-O 3Å; Y209-P231 VanDerWaalsContact OH-O 3.08Å; Y209-Q233 HydrophobicContact CD1-CG 4.14Å; Y209-Q233 HydrophobicContact CD2-CG 4.13Å; Y209-Q233 HydrophobicContact CE1-CG 4.02Å; Y209-Q233 HydrophobicContact CE2-CG 4Å; Y209-Q233 HydrophobicContact CG-CG 4.18Å; Y209-V239 HydrophobicContact CD1-CG1 4.02Å; Y209-V239 HydrophobicContact CE1-CG1 4.16Å; Y209-P241 HydrophobicContact CE1-CB 3.92Å; Y209-P241 HydrophobicContact CE1-CG 4.31Å; Y209-P241 WeakPolarHBondContact OH-CD 3.42Å; Y209-P241 WeakPolarHBondContact OH-CG 3.41Å; Y209-Y245 HydrophobicContact CD2-CE1 4.22Å; Y209-Y245 AromaticContact CE2-CE1 3.76Å; Y209-Y245 HydrophobicContact CE2-CE1 3.76Å
210	N	98.8	Very high	98.8	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	34.7	179.8	-165.8	44	0	0	0	113.8	P241 D242 Y245	N210-P241 HydrophobicContact CB-CB 4.11Å; N210-P241 WeakPolarHBondContact OD1-CB 3.48Å; N210-D242 VanDerWaalsContact ND2-CG 3.28Å; N210-D242 PolarHBondContact ND2-N 2.99Å; N210-D242 PolarHBondContact ND2-OD2 3.15Å; N210-D242 PolarHBondContact OD1-N 2.9Å; N210-Y245 VanDerWaalsContact CA-CE2 3.44Å
211	D	98.9	Very high	98.8	Very high	44 Å²	44	52.6 Å²	52.6	24%	0.235	28%	0.281	C	S	.	.			trans	-131.3	87.9	-179.4	-171.9	-22	0	0	0	110.5	P208 Y209 P213 A214 L215	P208-D211 HydrophobicContact CB-CB 4.04Å; Y209-D211 VanDerWaalsContact C-N 3.28Å; Y209-D211 PolarHBondContact O-N 3.2Å; D211-P213 WeakPolarHBondContact OD1-CD 3.44Å; D211-A214 HydrophobicContact CB-CB 3.9Å; D211-A214 PolarHBondContact O-N 3.34Å; D211-A214 WeakPolarHBondContact OD1-CB 3.18Å; D211-A214 PolarHBondContact OD1-N 3.48Å; D211-A214 WeakPolarHBondContact OD2-CB 3.26Å; D211-L215 PolarHBondContact O-N 3.28Å; D211-L215 VanDerWaalsContact O-N 3.09Å
212	L	98.9	Very high	98.8	Very high	52 Å²	52	54.1 Å²	54.1	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-41.5	177.3	-66.8	176.5	0	0	0	113	A214 L215 E216 Y245 V249 L252	L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 2.87Å; L212-L215 WeakPolarHBondContact O-CB 3.2Å; L212-L215 PolarHBondContact O-N 3.45Å; L212-E216 PolarHBondContact O-N 3.13Å; L212-Y245 HydrophobicContact CD2-CD2 3.77Å; L212-Y245 HydrophobicContact CD2-CE2 3.99Å; L212-Y245 HydrophobicContact CG-CD2 3.95Å; L212-Y245 HydrophobicContact CG-CE2 4.41Å; L212-V249 HydrophobicContact CD2-CG2 4Å; L212-L252 HydrophobicContact CB-CD1 4.43Å; L212-L252 HydrophobicContact CD2-CD1 4.2Å
213	P	98.9	Very high	98.8	Very high	70 Å²	70	51.9 Å²	51.9	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-39.6	172.8	-27.7	35.2	0	0	0	113.9	D211 E216 R217	D211-P213 WeakPolarHBondContact OD1-CD 3.44Å; P213-E216 PolarHBondContact O-N 2.93Å; P213-R217 VanDerWaalsContact C-NH1 3.34Å; P213-R217 VanDerWaalsContact CB-NH1 3.35Å; P213-R217 WeakPolarHBondContact O-CG 3.47Å; P213-R217 PolarHBondContact O-N 3.24Å; P213-R217 PolarHBondContact O-NH1 2.97Å
214	A	98.9	Very high	98.9	Very high	7 Å²	7	50.6 Å²	50.6	6%	0.058	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-40.7	175.8	0	0	0	0	0	112.1	I207 D211 L212 R217 A218	I207-A214 HydrophobicContact CB-CB 4.2Å; D211-A214 HydrophobicContact CB-CB 3.9Å; D211-A214 PolarHBondContact O-N 3.34Å; D211-A214 WeakPolarHBondContact OD1-CB 3.18Å; D211-A214 PolarHBondContact OD1-N 3.48Å; D211-A214 WeakPolarHBondContact OD2-CB 3.26Å; L212-A214 VanDerWaalsContact C-N 3.32Å; L212-A214 PolarHBondContact O-N 2.87Å; A214-R217 VanDerWaalsContact CA-NH2 3.27Å; A214-R217 PolarHBondContact O-N 3.35Å; A214-A218 PolarHBondContact O-N 3.45Å
215	L	98.9	Very high	98.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-51.7	172.8	-179.5	60.3	0	0	0	110.9	I207 D211 L212 R217 A218 L219 F227 V249 L252	I207-L215 HydrophobicContact CD1-CB 3.73Å; I207-L215 HydrophobicContact CD1-CD1 3.88Å; I207-L215 HydrophobicContact CD1-CG 4.4Å; D211-L215 PolarHBondContact O-N 3.28Å; D211-L215 VanDerWaalsContact O-N 3.09Å; L212-L215 WeakPolarHBondContact O-CB 3.2Å; L212-L215 PolarHBondContact O-N 3.45Å; L215-R217 VanDerWaalsContact C-N 3.27Å; L215-R217 PolarHBondContact O-N 2.98Å; L215-A218 WeakPolarHBondContact O-CB 3.35Å; L215-A218 PolarHBondContact O-N 3.25Å; L215-L219 HydrophobicContact CD1-CD1 4.11Å; L215-L219 HydrophobicContact CD1-CD2 3.78Å; L215-L219 HydrophobicContact CD1-CG 3.83Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 HydrophobicContact CG-CG 4.12Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 3.47Å; L215-F227 HydrophobicContact CD1-CB 4.18Å; L215-F227 HydrophobicContact CD1-CD1 3.93Å; L215-F227 HydrophobicContact CD1-CD2 3.85Å; L215-F227 HydrophobicContact CD1-CE1 4.2Å; L215-F227 HydrophobicContact CD1-CE2 4.16Å; L215-F227 HydrophobicContact CD1-CG 3.72Å; L215-F227 HydrophobicContact CD1-CZ 4.31Å; L215-F227 HydrophobicContact CD2-CD1 3.94Å; L215-F227 HydrophobicContact CD2-CE1 3.89Å; L215-F227 HydrophobicContact CD2-CZ 4.5Å; L215-V249 HydrophobicContact CD2-CB 4.15Å; L215-V249 HydrophobicContact CD2-CG1 4.19Å; L215-V249 HydrophobicContact CD2-CG2 3.74Å; L215-L252 HydrophobicContact CB-CD1 4.38Å; L215-L252 HydrophobicContact CD2-CB 4.49Å; L215-L252 HydrophobicContact CD2-CD1 4.1Å; L215-L252 HydrophobicContact CG-CD1 4.22Å
216	E	98.9	Very high	98.9	Very high	79 Å²	79	46.6 Å²	46.6	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-56.4	-40.9	179.6	-175.5	171.2	-129.3	0	0	112.1	L212 P213 L219 Q220 L252 R255	L212-E216 PolarHBondContact O-N 3.13Å; P213-E216 PolarHBondContact O-N 2.93Å; E216-L219 PolarHBondContact O-N 3.12Å; E216-Q220 WeakPolarHBondContact O-CG 3.43Å; E216-Q220 PolarHBondContact O-N 2.95Å; E216-Q220 PolarHBondContact O-NE2 3Å; E216-L252 HydrophobicContact CB-CD1 4.09Å; E216-L252 HydrophobicContact CB-CD2 3.96Å; E216-L252 HydrophobicContact CG-CD2 3.92Å; E216-R255 IonicContact OE1-NH1 2.72Å; E216-R255 PolarHBondContact OE1-NH1 3.01Å
217	R	98.9	Very high	98.9	Very high	156 Å²	156	43.3 Å²	43.3	59%	0.589	23%	0.228	S	C	*	.	H	α-helix	trans	-62.9	-44.1	173.4	-74.1	-173.9	-60.9	-86.3	4.5	112.5	P213 A214 L215 L219 Q220	P213-R217 VanDerWaalsContact C-NH1 3.34Å; P213-R217 VanDerWaalsContact CB-NH1 3.35Å; P213-R217 WeakPolarHBondContact O-CG 3.47Å; P213-R217 PolarHBondContact O-N 3.24Å; P213-R217 PolarHBondContact O-NH1 2.97Å; A214-R217 VanDerWaalsContact CA-NH2 3.27Å; A214-R217 PolarHBondContact O-N 3.35Å; L215-R217 VanDerWaalsContact C-N 3.27Å; L215-R217 PolarHBondContact O-N 2.98Å; R217-L219 VanDerWaalsContact C-N 3.34Å; R217-Q220 WeakPolarHBondContact O-CB 3.3Å; R217-Q220 WeakPolarHBondContact O-CG 3.1Å; R217-Q220 PolarHBondContact O-N 3.49Å
218	A	98.9	Very high	98.9	Very high	24 Å²	24	42.8 Å²	42.8	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-38.6	178.7	0	0	0	0	0	112	V171 I207 A214 L215 Q220 D221	V171-A218 HydrophobicContact CG1-CB 4.36Å; V171-A218 HydrophobicContact CG2-CB 4.17Å; I207-A218 HydrophobicContact CG2-CB 3.94Å; A214-A218 PolarHBondContact O-N 3.45Å; L215-A218 WeakPolarHBondContact O-CB 3.35Å; L215-A218 PolarHBondContact O-N 3.25Å; A218-Q220 PolarHBondContact O-N 3.43Å; A218-D221 PolarHBondContact O-N 2.9Å
219	L	98.8	Very high	98.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-3	179.8	-57.2	-164.3	0	0	0	114	L215 E216 R217 D221 V224 L252 H256 V258	L215-L219 HydrophobicContact CD1-CD1 4.11Å; L215-L219 HydrophobicContact CD1-CD2 3.78Å; L215-L219 HydrophobicContact CD1-CG 3.83Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 HydrophobicContact CG-CG 4.12Å; L215-L219 VanDerWaalsContact O-CG 3.3Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 3.47Å; E216-L219 PolarHBondContact O-N 3.12Å; R217-L219 VanDerWaalsContact C-N 3.34Å; L219-D221 PolarHBondContact O-N 3.44Å; L219-V224 HydrophobicContact CD2-CB 4.47Å; L219-V224 HydrophobicContact CD2-CG1 3.81Å; L219-L252 HydrophobicContact CD1-CB 3.99Å; L219-H256 HydrophobicContact CB-CB 4.03Å; L219-H256 HydrophobicContact CD1-CB 4.21Å; L219-H256 PolarHBondContact O-ND1 2.96Å; L219-V258 HydrophobicContact CD2-CB 4.47Å; L219-V258 HydrophobicContact CD2-CG1 4.07Å; L219-V258 HydrophobicContact CD2-CG2 4.14Å
220	Q	98.8	Very high	98.9	Very high	118 Å²	118	38.9 Å²	38.9	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.2	169.8	-57.7	-53.3	-53	0	0	112.5	E216 R217 A218 P222 H256	E216-Q220 WeakPolarHBondContact O-CG 3.43Å; E216-Q220 PolarHBondContact O-N 2.95Å; E216-Q220 PolarHBondContact O-NE2 3Å; R217-Q220 WeakPolarHBondContact O-CB 3.3Å; R217-Q220 WeakPolarHBondContact O-CG 3.1Å; R217-Q220 PolarHBondContact O-N 3.49Å; A218-Q220 PolarHBondContact O-N 3.43Å; Q220-P222 WeakPolarHBondContact O-CD 3.4Å; Q220-H256 PolarHBondContact NE2-CE1 3.4Å
221	D	98.8	Very high	98.9	Very high	42 Å²	42	36.6 Å²	36.6	23%	0.225	19%	0.19	C	C	.	.	S	Bend	trans	-75.2	115.7	173.9	-176.6	-15.4	0	0	0	109.8	K169 A218 L219 N223 V224	K169-D221 VanDerWaalsContact CD-OD2 3.25Å; K169-D221 WeakPolarHBondContact CD-OD2 3.16Å; K169-D221 WeakPolarHBondContact CE-OD2 3.29Å; K169-D221 IonicContact NZ-OD2 2.72Å; K169-D221 PolarHBondContact NZ-OD2 3.13Å; A218-D221 PolarHBondContact O-N 2.9Å; L219-D221 PolarHBondContact O-N 3.44Å; D221-N223 PolarHBondContact O-N 3.46Å; D221-N223 VanDerWaalsContact OD1-CB 3.29Å; D221-N223 WeakPolarHBondContact OD1-CB 3.19Å; D221-N223 PolarHBondContact OD1-N 2.85Å; D221-N223 PolarHBondContact OD1-ND2 3.35Å; D221-V224 HydrophobicContact CB-CG2 4.1Å; D221-V224 WeakPolarHBondContact O-CG2 3.14Å; D221-V224 PolarHBondContact O-N 3.4Å; D221-V224 VanDerWaalsContact O-N 3.07Å
222	P	98.6	Very high	98.9	Very high	95 Å²	95	34.6 Å²	34.6	62%	0.617	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.6	-176.9	28.8	-36.4	0	0	0	113.1	K161 Q220 V224	K161-P222 WeakPolarHBondContact CE-O 3.4Å; Q220-P222 WeakPolarHBondContact O-CD 3.4Å; P222-V224 VanDerWaalsContact C-N 3.31Å
223	N	98.9	Very high	98.9	Very high	53 Å²	53	32.5 Å²	32.5	28%	0.283	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3	177	-56.2	-66	0	0	0	113.7	I163 K167 A168 K169 D221 A225	I163-N223 WeakPolarHBondContact CD1-O 3.31Å; I163-N223 HydrophobicContact CG2-CB 4.13Å; K167-N223 WeakPolarHBondContact O-CB 3.35Å; A168-N223 CarbonylContact C-O 3.43Å; A168-N223 WeakPolarHBondContact CA-O 3.22Å; K169-N223 PolarHBondContact N-O 2.94Å; D221-N223 PolarHBondContact O-N 3.46Å; D221-N223 VanDerWaalsContact OD1-CB 3.29Å; D221-N223 WeakPolarHBondContact OD1-CB 3.19Å; D221-N223 PolarHBondContact OD1-N 2.85Å; D221-N223 PolarHBondContact OD1-ND2 3.35Å; N223-A225 PolarHBondContact O-N 3.08Å
224	V	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.1	172.9	-179.7	0	0	0	0	109.3	K161 K169 V171 L219 D221 P222 V258	K161-V224 PolarHBondContact NZ-O 2.94Å; K169-V224 HydrophobicContact CB-CG2 4.29Å; V171-V224 HydrophobicContact CG2-CG1 3.82Å; V171-V224 HydrophobicContact CG2-CG2 4.08Å; L219-V224 HydrophobicContact CD2-CB 4.47Å; L219-V224 HydrophobicContact CD2-CG1 3.81Å; D221-V224 HydrophobicContact CB-CG2 4.1Å; D221-V224 WeakPolarHBondContact O-CG2 3.14Å; D221-V224 PolarHBondContact O-N 3.4Å; D221-V224 VanDerWaalsContact O-N 3.07Å; P222-V224 VanDerWaalsContact C-N 3.31Å; V224-V258 HydrophobicContact CB-CG2 4.26Å; V224-V258 HydrophobicContact CG1-CG1 3.86Å; V224-V258 HydrophobicContact CG1-CG2 4.06Å
225	A	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-35.4	178.3	0	0	0	0	0	112	A153 I163 A168 K169 N223 L259	A153-A225 WeakPolarHBondContact O-CB 3.49Å; I163-A225 HydrophobicContact CD1-CB 4.17Å; A168-A225 HydrophobicContact CB-CB 4.1Å; K169-A225 PolarHBondContact O-N 2.89Å; N223-A225 PolarHBondContact O-N 3.08Å; A225-L259 PolarHBondContact O-N 3.19Å
226	A	99	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.1	-179.1	0	0	0	0	0	113.3	A153 I170 V171 L259 I261	A153-A226 HydrophobicContact CB-CB 3.59Å; I170-A226 WeakPolarHBondContact CA-O 3.4Å; I170-A226 HydrophobicContact CG1-CB 4.43Å; I170-A226 HydrophobicContact CG2-CB 4.28Å; V171-A226 PolarHBondContact N-O 3.29Å; A226-L259 CarbonylContact C-O 3.55Å; A226-L259 WeakPolarHBondContact CA-O 3.04Å; A226-L259 HydrophobicContact CB-CB 4.09Å; A226-L259 WeakPolarHBondContact CB-O 3.33Å; A226-I261 HydrophobicContact CB-CD1 3.65Å; A226-I261 HydrophobicContact CB-CG1 4.06Å
227	F	99	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.6	159.8	176.3	-125.9	0	0	0	108.4	V171 I207 L215 V229 V249 L259 I261	V171-F227 HydrophobicContact CB-CD2 3.85Å; V171-F227 HydrophobicContact CG1-CD2 3.73Å; V171-F227 HydrophobicContact CG1-CE2 4.08Å; V171-F227 WeakPolarHBondContact O-CA 3.47Å; V171-F227 VanDerWaalsContact O-CD2 3.31Å; V171-F227 WeakPolarHBondContact O-CD2 3.46Å; I207-F227 HydrophobicContact CD1-CE2 3.89Å; I207-F227 HydrophobicContact CD1-CZ 4.25Å; I207-F227 HydrophobicContact CG1-CE2 4.26Å; L215-F227 HydrophobicContact CD1-CB 4.18Å; L215-F227 HydrophobicContact CD1-CD1 3.93Å; L215-F227 HydrophobicContact CD1-CD2 3.85Å; L215-F227 HydrophobicContact CD1-CE1 4.2Å; L215-F227 HydrophobicContact CD1-CE2 4.16Å; L215-F227 HydrophobicContact CD1-CG 3.72Å; L215-F227 HydrophobicContact CD1-CZ 4.31Å; L215-F227 HydrophobicContact CD2-CD1 3.94Å; L215-F227 HydrophobicContact CD2-CE1 3.89Å; L215-F227 HydrophobicContact CD2-CZ 4.5Å; F227-V229 HydrophobicContact CD1-CB 4.23Å; F227-V229 HydrophobicContact CD1-CG1 3.86Å; F227-V229 HydrophobicContact CE1-CB 3.6Å; F227-V229 HydrophobicContact CE1-CG1 3.44Å; F227-V229 VanDerWaalsContact CE1-CG1 3.44Å; F227-V229 HydrophobicContact CE1-CG2 4.07Å; F227-V229 HydrophobicContact CE2-CB 4.26Å; F227-V229 HydrophobicContact CZ-CB 3.62Å; F227-V229 HydrophobicContact CZ-CG1 4.02Å; F227-V229 HydrophobicContact CZ-CG2 3.86Å; F227-V249 HydrophobicContact CD1-CG1 3.54Å; F227-V249 HydrophobicContact CD1-CG2 4.43Å; F227-V249 HydrophobicContact CE1-CB 4.45Å; F227-V249 HydrophobicContact CE1-CG1 3.71Å; F227-V249 HydrophobicContact CE1-CG2 3.8Å; F227-L259 PolarHBondContact N-O 3.21Å; F227-I261 PolarHBondContact O-N 3.21Å
228	M	98.9	Very high	98.4	Very high	6 Å²	6	21 Å²	21	3%	0.03	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.9	177.7	-179.5	170.5	166.4	0	0	110.2	I170 V171 F172 W178 I261 D263 L289	I170-M228 HydrophobicContact CG2-CB 4.39Å; V171-M228 PolarHBondContact O-N 2.99Å; F172-M228 HydrophobicContact CD1-CB 4.01Å; F172-M228 HydrophobicContact CD1-CG 4.3Å; F172-M228 HydrophobicContact CD1-SD 4.49Å; F172-M228 HydrophobicContact CE1-CB 3.8Å; F172-M228 HydrophobicContact CE1-CG 3.96Å; F172-M228 HydrophobicContact CE1-SD 3.63Å; F172-M228 HydrophobicContact CZ-CB 4.4Å; F172-M228 HydrophobicContact CZ-SD 4.31Å; W178-M228 HydrophobicContact CB-CE 3.62Å; W178-M228 HydrophobicContact CD2-CE 4.11Å; W178-M228 HydrophobicContact CE3-CE 4.44Å; W178-M228 HydrophobicContact CG-CE 3.81Å; M228-I261 WeakPolarHBondContact CA-O 3.47Å; M228-I261 HydrophobicContact CB-CB 4.03Å; M228-I261 HydrophobicContact CB-CD1 4.35Å; M228-I261 HydrophobicContact CB-CG2 4.41Å; M228-I261 HydrophobicContact CG-CB 4.12Å; M228-I261 HydrophobicContact CG-CG2 3.97Å; M228-I261 HydrophobicContact SD-CG2 4.26Å; M228-D263 HydrophobicContact CE-CB 4.13Å; M228-L289 HydrophobicContact CE-CD1 3.63Å; M228-L289 HydrophobicContact SD-CD1 4.42Å
229	V	98.9	Very high	98.3	Very high	5 Å²	5	22 Å²	22	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	142.9	-173	65.1	0	0	0	0	112.4	A173 Y209 F227 Y245 F260 I261 D263	A173-V229 HydrophobicContact CB-CG2 4.34Å; Y209-V229 HydrophobicContact CD2-CG2 3.93Å; Y209-V229 HydrophobicContact CE2-CG2 3.52Å; F227-V229 HydrophobicContact CD1-CB 4.23Å; F227-V229 HydrophobicContact CD1-CG1 3.86Å; F227-V229 HydrophobicContact CE1-CB 3.6Å; F227-V229 HydrophobicContact CE1-CG1 3.44Å; F227-V229 VanDerWaalsContact CE1-CG1 3.44Å; F227-V229 HydrophobicContact CE1-CG2 4.07Å; F227-V229 HydrophobicContact CE2-CB 4.26Å; F227-V229 HydrophobicContact CZ-CB 3.62Å; F227-V229 HydrophobicContact CZ-CG1 4.02Å; F227-V229 HydrophobicContact CZ-CG2 3.86Å; V229-Y245 HydrophobicContact CG2-CE1 4.31Å; V229-F260 HydrophobicContact CG1-CD1 4.12Å; V229-F260 HydrophobicContact CG1-CE1 3.41Å; V229-F260 VanDerWaalsContact CG1-CE1 3.41Å; V229-F260 HydrophobicContact CG1-CZ 4.16Å; V229-I261 PolarHBondContact N-O 2.91Å; V229-D263 PolarHBondContact O-N 3.09Å
230	E	98.9	Very high	98.3	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.047	13%	0.133	C	C	.	.			trans	-78.9	132.8	168.6	-67	170.2	-101.6	0	0	109.7	F177 Y209 I232 Q233 G234 D263	F177-E230 PolarHBondContact N-OE1 3.41Å; Y209-E230 WeakPolarHBondContact CE2-O 3.37Å; Y209-E230 PolarHBondContact OH-O 3.09Å; E230-I232 PolarHBondContact O-N 2.98Å; E230-Q233 HydrophobicContact CB-CG 4.24Å; E230-G234 PolarHBondContact OE2-N 3.3Å; E230-G234 VanDerWaalsContact OE2-N 3.09Å; E230-D263 HydrophobicContact CG-CB 4.1Å
231	P	98.9	Very high	98.3	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.019	11%	0.109	C	C	.	.	S	Bend	trans	-60.6	-29	174	-27.3	37.2	0	0	0	114.1	Y209 P241 L246 D263 E264 A277 V278	Y209-P231 VanDerWaalsContact OH-C 3.28Å; Y209-P231 PolarHBondContact OH-O 3Å; Y209-P231 VanDerWaalsContact OH-O 3.08Å; P231-P241 VanDerWaalsContact O-CD 3.25Å; P231-P241 WeakPolarHBondContact O-CD 3.22Å; P231-P241 WeakPolarHBondContact O-CG 3.41Å; P231-L246 HydrophobicContact CB-CD1 3.77Å; P231-D263 WeakPolarHBondContact CD-O 3.34Å; P231-E264 HydrophobicContact CG-CG 4.09Å; P231-E264 WeakPolarHBondContact CG-OE1 3.39Å; P231-A277 HydrophobicContact CB-CB 3.61Å; P231-A277 HydrophobicContact CG-CB 4.19Å; P231-V278 HydrophobicContact CB-CG1 4.4Å; P231-V278 HydrophobicContact CG-CG1 3.83Å
232	I	98.9	Very high	98.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	-142	123	167.7	-60.4	174.7	0	0	0	105.6	E230 G234 V238 V239 V240 T267 T272 K374 L377	E230-I232 PolarHBondContact O-N 2.98Å; I232-G234 PolarHBondContact O-N 3.07Å; I232-G234 VanDerWaalsContact O-N 3.1Å; I232-V238 HydrophobicContact CG2-CG1 4Å; I232-V239 WeakPolarHBondContact CG2-O 3.42Å; I232-V240 HydrophobicContact CD1-CG2 4.27Å; I232-V240 HydrophobicContact CG1-CG2 4.45Å; I232-V240 HydrophobicContact CG2-CG2 4.03Å; I232-T267 HydrophobicContact CB-CG2 3.84Å; I232-T267 HydrophobicContact CG1-CG2 4.49Å; I232-T267 WeakPolarHBondContact O-CG2 3.44Å; I232-T272 HydrophobicContact CD1-CG2 3.88Å; I232-K374 HydrophobicContact CD1-CB 3.94Å; I232-K374 HydrophobicContact CD1-CD 4.1Å; I232-K374 HydrophobicContact CD1-CG 3.99Å; I232-L377 HydrophobicContact CG2-CD2 4.36Å
233	Q	98.8	Very high	98.3	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.037	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-72.2	108.8	178.5	-68.3	-177.6	-34.2	0	0	110.2	A174 Y209 E230 A236 V238 V239	A174-Q233 PolarHBondContact O-NE2 3.29Å; Y209-Q233 HydrophobicContact CD1-CG 4.14Å; Y209-Q233 HydrophobicContact CD2-CG 4.13Å; Y209-Q233 HydrophobicContact CE1-CG 4.02Å; Y209-Q233 HydrophobicContact CE2-CG 4Å; Y209-Q233 HydrophobicContact CG-CG 4.18Å; E230-Q233 HydrophobicContact CB-CG 4.24Å; Q233-A236 HydrophobicContact CB-CB 3.84Å; Q233-V238 CarbonylContact O-C 3.47Å; Q233-V238 VanDerWaalsContact O-CA 3.23Å; Q233-V238 WeakPolarHBondContact O-CA 3.49Å; Q233-V238 PolarHBondContact O-N 3.49Å; Q233-V239 HydrophobicContact CB-CB 4.24Å; Q233-V239 PolarHBondContact N-O 2.94Å; Q233-V239 VanDerWaalsContact N-O 3.12Å; Q233-V239 PolarHBondContact O-N 3.44Å
234	G	97	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-49.9	-172.6	0	0	0	0	0	112.5	E230 I232 G237 V238	E230-G234 PolarHBondContact OE2-N 3.3Å; E230-G234 VanDerWaalsContact OE2-N 3.09Å; I232-G234 PolarHBondContact O-N 3.07Å; I232-G234 VanDerWaalsContact O-N 3.1Å; G234-G237 PolarHBondContact O-N 3.19Å; G234-G237 VanDerWaalsContact O-N 3.08Å; G234-V238 PolarHBondContact O-N 3.38Å
235	E	95.9	Very high	98.3	Very high	47 Å²	47	21.7 Å²	21.7	22%	0.22	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.9	-175	-166.3	61.9	-171.5	0	0	113	F177 G237 T407 H408 R413	F177-E235 HydrophobicContact CB-CB 3.68Å; F177-E235 HydrophobicContact CB-CG 4.24Å; F177-E235 HydrophobicContact CD1-CB 4.3Å; F177-E235 HydrophobicContact CD2-CG 4.35Å; F177-E235 HydrophobicContact CG-CB 3.96Å; F177-E235 HydrophobicContact CG-CG 4.13Å; E235-G237 PolarHBondContact O-N 3.38Å; E235-T407 PolarHBondContact O-OG1 3.4Å; E235-H408 PolarHBondContact O-CE1 3.34Å; E235-R413 IonicContact OE2-CZ 2.77Å; E235-R413 IonicContact OE2-NH1 3.56Å; E235-R413 IonicContact OE2-NH2 3.83Å; E235-R413 PolarHBondContact OE2-NH2 3.28Å; E235-R413 VanDerWaalsContact OE2-NH2 3.07Å
236	A	96.2	Very high	98.3	Very high	23 Å²	23	21.9 Å²	21.9	19%	0.19	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-4	168.7	0	0	0	0	0	113.5	Q233 V239	Q233-A236 HydrophobicContact CB-CB 3.84Å; A236-V239 HydrophobicContact CB-CG2 3.94Å
237	G	96.3	Very high	98.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	48.2	173	0	0	0	0	0	114.5	G234 E235 V239 R372	G234-G237 PolarHBondContact O-N 3.19Å; G234-G237 VanDerWaalsContact O-N 3.08Å; E235-G237 PolarHBondContact O-N 3.38Å; G237-V239 VanDerWaalsContact C-N 3.32Å; G237-V239 PolarHBondContact O-N 3.49Å; G237-R372 VanDerWaalsContact O-CZ 3.31Å; G237-R372 PolarHBondContact O-NE 3.05Å; G237-R372 PolarHBondContact O-NH2 3.1Å
238	V	98.2	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	54.1	53	177	-167.8	0	0	0	0	109.9	I232 Q233 G234 V240 R372 L377 A379 R413	I232-V238 HydrophobicContact CG2-CG1 4Å; Q233-V238 CarbonylContact O-C 3.47Å; Q233-V238 VanDerWaalsContact O-CA 3.23Å; Q233-V238 WeakPolarHBondContact O-CA 3.49Å; Q233-V238 PolarHBondContact O-N 3.49Å; G234-V238 PolarHBondContact O-N 3.38Å; V238-V240 PolarHBondContact O-N 3.44Å; V238-R372 WeakPolarHBondContact O-CD 3.39Å; V238-R372 WeakPolarHBondContact O-CG 3.36Å; V238-R372 PolarHBondContact O-NE 3.26Å; V238-L377 HydrophobicContact CG1-CG 3.95Å; V238-L377 HydrophobicContact CG2-CD1 4.06Å; V238-L377 HydrophobicContact CG2-CG 4.27Å; V238-A379 HydrophobicContact CB-CB 3.81Å; V238-A379 HydrophobicContact CG2-CB 3.77Å; V238-R413 HydrophobicContact CG2-CG 4.49Å
239	V	98.6	Very high	98.3	Very high	46 Å²	46	27.4 Å²	27.4	28%	0.279	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-79.3	105.5	178.1	-175	0	0	0	0	107.7	Y209 I232 Q233 A236 G237	Y209-V239 HydrophobicContact CD1-CG1 4.02Å; Y209-V239 HydrophobicContact CE1-CG1 4.16Å; I232-V239 WeakPolarHBondContact CG2-O 3.42Å; Q233-V239 HydrophobicContact CB-CB 4.24Å; Q233-V239 PolarHBondContact N-O 2.94Å; Q233-V239 VanDerWaalsContact N-O 3.12Å; Q233-V239 PolarHBondContact O-N 3.44Å; A236-V239 HydrophobicContact CB-CG2 3.94Å; G237-V239 VanDerWaalsContact C-N 3.32Å; G237-V239 PolarHBondContact O-N 3.49Å
240	V	98.8	Very high	98.3	Very high	40 Å²	40	29.4 Å²	29.4	24%	0.242	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-87.1	125.3	177.8	-173.3	0	0	0	0	107.8	I232 V238 K374	I232-V240 HydrophobicContact CD1-CG2 4.27Å; I232-V240 HydrophobicContact CG1-CG2 4.45Å; I232-V240 HydrophobicContact CG2-CG2 4.03Å; V238-V240 PolarHBondContact O-N 3.44Å; V240-K374 HydrophobicContact CG1-CD 4.48Å; V240-K374 HydrophobicContact CG1-CG 4.39Å
241	P	98.8	Very high	98.3	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.058	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-72.7	166.7	177.5	32.6	-34.8	0	0	0	110.9	Y209 N210 P231 Y245	Y209-P241 HydrophobicContact CE1-CB 3.92Å; Y209-P241 HydrophobicContact CE1-CG 4.31Å; Y209-P241 WeakPolarHBondContact OH-CD 3.42Å; Y209-P241 WeakPolarHBondContact OH-CG 3.41Å; N210-P241 HydrophobicContact CB-CB 4.11Å; N210-P241 WeakPolarHBondContact OD1-CB 3.48Å; P231-P241 VanDerWaalsContact O-CD 3.25Å; P231-P241 WeakPolarHBondContact O-CD 3.22Å; P231-P241 WeakPolarHBondContact O-CG 3.41Å; P241-Y245 HydrophobicContact CB-CD1 3.53Å; P241-Y245 HydrophobicContact CB-CE1 4.3Å; P241-Y245 HydrophobicContact CB-CG 3.84Å; P241-Y245 HydrophobicContact CG-CD1 3.85Å; P241-Y245 HydrophobicContact CG-CG 4.48Å
242	D	98.8	Very high	98.3	Very high	103 Å²	103	34.6 Å²	34.6	55%	0.551	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-64.9	149	175	-67.9	-42	0	0	0	110.8	N210 G244 Y245	N210-D242 VanDerWaalsContact ND2-CG 3.28Å; N210-D242 PolarHBondContact ND2-N 2.99Å; N210-D242 PolarHBondContact ND2-OD2 3.15Å; N210-D242 PolarHBondContact OD1-N 2.9Å; D242-G244 PolarHBondContact O-N 3.15Å; D242-Y245 VanDerWaalsContact O-CB 3.28Å; D242-Y245 WeakPolarHBondContact O-CB 3.19Å; D242-Y245 PolarHBondContact O-N 2.95Å; D242-Y245 VanDerWaalsContact O-N 3.17Å
243	P	98.7	Very high	98.3	Very high	125 Å²	125	34.5 Å²	34.5	81%	0.812	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	133.3	176.2	-24.3	34	0	0	0	112.3
244	G	98.6	Very high	98.3	Very high	22 Å²	22	38.1 Å²	38.1	23%	0.227	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-3.3	179.6	0	0	0	0	0	113.9	D242 G248 E281	D242-G244 PolarHBondContact O-N 3.15Å; G244-G248 PolarHBondContact O-N 3.36Å; G244-E281 VanDerWaalsContact C-OE2 3.29Å; G244-E281 VanDerWaalsContact CA-OE2 3.24Å; G244-E281 WeakPolarHBondContact CA-OE2 3.45Å; G244-E281 VanDerWaalsContact N-CD 3.33Å; G244-E281 PolarHBondContact N-OE1 3.45Å; G244-E281 PolarHBondContact N-OE2 3.3Å
245	Y	98.9	Very high	98.4	Very high	5 Å²	5	44.4 Å²	44.4	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-49.1	175.2	173.4	-110.3	0	0	0	111.7	Y209 N210 L212 V229 P241 D242 M247 G248 V249	Y209-Y245 HydrophobicContact CD2-CE1 4.22Å; Y209-Y245 AromaticContact CE2-CE1 3.76Å; Y209-Y245 HydrophobicContact CE2-CE1 3.76Å; N210-Y245 VanDerWaalsContact CA-CE2 3.44Å; L212-Y245 HydrophobicContact CD2-CD2 3.77Å; L212-Y245 HydrophobicContact CD2-CE2 3.99Å; L212-Y245 HydrophobicContact CG-CD2 3.95Å; L212-Y245 HydrophobicContact CG-CE2 4.41Å; V229-Y245 HydrophobicContact CG2-CE1 4.31Å; P241-Y245 HydrophobicContact CB-CD1 3.53Å; P241-Y245 HydrophobicContact CB-CE1 4.3Å; P241-Y245 HydrophobicContact CB-CG 3.84Å; P241-Y245 HydrophobicContact CG-CD1 3.85Å; P241-Y245 HydrophobicContact CG-CG 4.48Å; D242-Y245 VanDerWaalsContact O-CB 3.28Å; D242-Y245 WeakPolarHBondContact O-CB 3.19Å; D242-Y245 PolarHBondContact O-N 2.95Å; D242-Y245 VanDerWaalsContact O-N 3.17Å; Y245-M247 VanDerWaalsContact C-N 3.34Å; Y245-M247 PolarHBondContact O-N 3.37Å; Y245-G248 PolarHBondContact O-N 3.07Å; Y245-V249 HydrophobicContact CD1-CG2 4.34Å; Y245-V249 HydrophobicContact CD2-CG2 4.28Å; Y245-V249 HydrophobicContact CE1-CG2 3.99Å; Y245-V249 HydrophobicContact CE2-CG2 3.9Å; Y245-V249 HydrophobicContact CG-CG2 4.49Å; Y245-V249 VanDerWaalsContact O-CG2 3.25Å; Y245-V249 WeakPolarHBondContact O-CG2 3.49Å; Y245-V249 PolarHBondContact O-N 3.48Å
246	L	98.9	Very high	98.6	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-71.5	-33.2	-176	-58.8	175.2	0	0	0	111.7	P231 V249 R250 V278 E281 V283	P231-L246 HydrophobicContact CB-CD1 3.77Å; L246-V249 WeakPolarHBondContact O-CB 3.33Å; L246-V249 PolarHBondContact O-N 3.06Å; L246-R250 WeakPolarHBondContact O-CB 3.28Å; L246-R250 PolarHBondContact O-N 2.73Å; L246-V278 HydrophobicContact CD1-CG1 4.24Å; L246-E281 WeakPolarHBondContact CA-OE2 3.12Å; L246-E281 PolarHBondContact N-OE2 3.45Å; L246-V283 HydrophobicContact CB-CG2 4.35Å
247	M	98.9	Very high	98.7	Very high	113 Å²	113	48.3 Å²	48.3	56%	0.557	26%	0.255	S	S	*	.	H	α-helix	trans	-61.8	-46.3	170.4	-176.9	178.5	64.3	0	0	111.2	Y245 R250 E251 E281 V283	Y245-M247 VanDerWaalsContact C-N 3.34Å; Y245-M247 PolarHBondContact O-N 3.37Å; M247-R250 WeakPolarHBondContact O-CB 3.08Å; M247-R250 PolarHBondContact O-N 2.83Å; M247-E251 PolarHBondContact O-N 3.03Å; M247-E281 HydrophobicContact CB-CB 4.47Å; M247-E281 PolarHBondContact N-OE2 2.78Å; M247-V283 HydrophobicContact CB-CG2 4.25Å
248	G	98.9	Very high	98.8	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-40.3	175.4	0	0	0	0	0	112.7	G244 Y245 E251 L252	G244-G248 PolarHBondContact O-N 3.36Å; Y245-G248 PolarHBondContact O-N 3.07Å; G248-E251 PolarHBondContact O-N 3.29Å; G248-L252 WeakPolarHBondContact O-CB 3.29Å; G248-L252 WeakPolarHBondContact O-CG 3.2Å; G248-L252 PolarHBondContact O-N 3.27Å
249	V	98.9	Very high	98.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-50.5	172.5	168.1	0	0	0	0	110.5	L212 L215 F227 Y245 L246 E251 L252 C253 F260	L212-V249 HydrophobicContact CD2-CG2 4Å; L215-V249 HydrophobicContact CD2-CB 4.15Å; L215-V249 HydrophobicContact CD2-CG1 4.19Å; L215-V249 HydrophobicContact CD2-CG2 3.74Å; F227-V249 HydrophobicContact CD1-CG1 3.54Å; F227-V249 HydrophobicContact CD1-CG2 4.43Å; F227-V249 HydrophobicContact CE1-CB 4.45Å; F227-V249 HydrophobicContact CE1-CG1 3.71Å; F227-V249 HydrophobicContact CE1-CG2 3.8Å; Y245-V249 HydrophobicContact CD1-CG2 4.34Å; Y245-V249 HydrophobicContact CD2-CG2 4.28Å; Y245-V249 HydrophobicContact CE1-CG2 3.99Å; Y245-V249 HydrophobicContact CE2-CG2 3.9Å; Y245-V249 HydrophobicContact CG-CG2 4.49Å; Y245-V249 VanDerWaalsContact O-CG2 3.25Å; Y245-V249 WeakPolarHBondContact O-CG2 3.49Å; Y245-V249 PolarHBondContact O-N 3.48Å; L246-V249 WeakPolarHBondContact O-CB 3.33Å; L246-V249 PolarHBondContact O-N 3.06Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.18Å; V249-L252 PolarHBondContact O-N 2.61Å; V249-C253 VanDerWaalsContact O-CB 3.28Å; V249-C253 WeakPolarHBondContact O-CB 3.3Å; V249-C253 PolarHBondContact O-N 3.47Å; V249-C253 PolarHBondContact O-SG 2.95Å; V249-C253 VanDerWaalsContact O-SG 3.41Å; V249-F260 HydrophobicContact CG1-CD1 4.04Å; V249-F260 HydrophobicContact CG1-CD2 4.14Å; V249-F260 HydrophobicContact CG1-CE1 4.23Å; V249-F260 HydrophobicContact CG1-CE2 4.23Å; V249-F260 HydrophobicContact CG1-CG 4.06Å; V249-F260 HydrophobicContact CG1-CZ 4.31Å
250	R	98.9	Very high	98.9	Very high	46 Å²	46	46.6 Å²	46.6	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-45.3	178.7	175.9	67.6	-92.4	-178.6	-1.1	111.8	L246 M247 T254 F260 V283 R284 D286	L246-R250 WeakPolarHBondContact O-CB 3.28Å; L246-R250 PolarHBondContact O-N 2.73Å; M247-R250 WeakPolarHBondContact O-CB 3.08Å; M247-R250 PolarHBondContact O-N 2.83Å; R250-T254 VanDerWaalsContact CZ-OG1 3.3Å; R250-T254 PolarHBondContact NE-OG1 3.31Å; R250-T254 PolarHBondContact NH2-OG1 2.89Å; R250-T254 WeakPolarHBondContact O-CB 3.38Å; R250-T254 PolarHBondContact O-N 3.31Å; R250-T254 PolarHBondContact O-OG1 3.01Å; R250-F260 HydrophobicContact CB-CD2 4.43Å; R250-V283 HydrophobicContact CB-CG1 3.71Å; R250-V283 HydrophobicContact CB-CG2 4.4Å; R250-V283 HydrophobicContact CG-CG1 4.01Å; R250-R284 WeakPolarHBondContact CD-O 3.44Å; R250-R284 PolarHBondContact NH1-O 3.16Å; R250-D286 IonicContact CZ-OD1 3.05Å; R250-D286 IonicContact CZ-OD2 2.71Å; R250-D286 IonicContact NH1-OD1 3.29Å; R250-D286 PolarHBondContact NH1-OD1 3Å; R250-D286 IonicContact NH1-OD2 3.83Å; R250-D286 PolarHBondContact NH1-OD2 2.88Å; R250-D286 IonicContact NH2-OD1 3.47Å; R250-D286 PolarHBondContact NH2-OD1 3.48Å; R250-D286 VanDerWaalsContact NH2-OD1 3.13Å; R250-D286 IonicContact NH2-OD2 3.47Å; R250-D286 PolarHBondContact NH2-OD2 3.13Å
251	E	98.9	Very high	98.9	Very high	110 Å²	110	44.7 Å²	44.7	51%	0.514	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-50.6	179.2	-173.2	-173.9	158.9	0	0	111.4	M247 G248 V249 T254 R255	M247-E251 PolarHBondContact O-N 3.03Å; G248-E251 PolarHBondContact O-N 3.29Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.18Å; E251-T254 PolarHBondContact O-N 3.12Å; E251-R255 WeakPolarHBondContact O-CB 3.31Å; E251-R255 PolarHBondContact O-N 2.94Å; E251-R255 IonicContact OE1-CZ 2.72Å; E251-R255 IonicContact OE1-NH2 2.89Å; E251-R255 PolarHBondContact OE1-NH2 3.1Å
252	L	98.9	Very high	98.9	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-46.5	-179.8	-72.2	172.7	0	0	0	111.6	L212 L215 E216 L219 G248 V249 T254 R255 H256	L212-L252 HydrophobicContact CB-CD1 4.43Å; L212-L252 HydrophobicContact CD2-CD1 4.2Å; L215-L252 HydrophobicContact CB-CD1 4.38Å; L215-L252 HydrophobicContact CD2-CB 4.49Å; L215-L252 HydrophobicContact CD2-CD1 4.1Å; L215-L252 HydrophobicContact CG-CD1 4.22Å; E216-L252 HydrophobicContact CB-CD1 4.09Å; E216-L252 HydrophobicContact CB-CD2 3.96Å; E216-L252 HydrophobicContact CG-CD2 3.92Å; L219-L252 HydrophobicContact CD1-CB 3.99Å; G248-L252 WeakPolarHBondContact O-CB 3.29Å; G248-L252 WeakPolarHBondContact O-CG 3.2Å; G248-L252 PolarHBondContact O-N 3.27Å; V249-L252 PolarHBondContact O-N 2.61Å; L252-T254 PolarHBondContact O-N 2.58Å; L252-R255 PolarHBondContact O-N 3.13Å; L252-H256 PolarHBondContact O-CD2 3.02Å; L252-H256 VanDerWaalsContact O-CD2 3.23Å; L252-H256 PolarHBondContact O-N 3.04Å
253	C	98.9	Very high	98.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-46.6	176.9	-78.7	0	0	0	0	111.8	V249 H256 Q257 V258 F260	V249-C253 VanDerWaalsContact O-CB 3.28Å; V249-C253 WeakPolarHBondContact O-CB 3.3Å; V249-C253 PolarHBondContact O-N 3.47Å; V249-C253 PolarHBondContact O-SG 2.95Å; V249-C253 VanDerWaalsContact O-SG 3.41Å; C253-H256 PolarHBondContact O-N 3.09Å; C253-Q257 PolarHBondContact O-N 3.32Å; C253-Q257 VanDerWaalsContact O-N 3.14Å; C253-V258 CarbonylContact C-O 3.51Å; C253-V258 HydrophobicContact CB-CB 4.49Å; C253-V258 VanDerWaalsContact CB-O 3.29Å; C253-V258 WeakPolarHBondContact CB-O 3.39Å; C253-V258 PolarHBondContact O-N 3.24Å; C253-F260 HydrophobicContact CB-CB 4.09Å
254	T	98.9	Very high	98.9	Very high	84 Å²	84	33.9 Å²	33.9	52%	0.515	17%	0.167	S	C	.	.	H	α-helix	trans	-59.6	-49.9	175.6	-61.8	0	0	0	0	111.8	R250 E251 L252 H256 Q257	R250-T254 VanDerWaalsContact CZ-OG1 3.3Å; R250-T254 PolarHBondContact NE-OG1 3.31Å; R250-T254 PolarHBondContact NH2-OG1 2.89Å; R250-T254 WeakPolarHBondContact O-CB 3.38Å; R250-T254 PolarHBondContact O-N 3.31Å; R250-T254 PolarHBondContact O-OG1 3.01Å; E251-T254 PolarHBondContact O-N 3.12Å; L252-T254 PolarHBondContact O-N 2.58Å; T254-H256 PolarHBondContact O-N 2.96Å; T254-Q257 PolarHBondContact O-N 3.48Å; T254-Q257 VanDerWaalsContact O-N 3.13Å
255	R	98.8	Very high	98.9	Very high	133 Å²	133	33.4 Å²	33.4	50%	0.502	16%	0.159	S	C	.	.	H	α-helix	trans	-58.2	-37.9	-177.4	-170.3	-168.5	-62.3	161.6	-2	112.3	E216 E251 L252	E216-R255 IonicContact OE1-NH1 2.72Å; E216-R255 PolarHBondContact OE1-NH1 3.01Å; E251-R255 WeakPolarHBondContact O-CB 3.31Å; E251-R255 PolarHBondContact O-N 2.94Å; E251-R255 IonicContact OE1-CZ 2.72Å; E251-R255 IonicContact OE1-NH2 2.89Å; E251-R255 PolarHBondContact OE1-NH2 3.1Å; L252-R255 PolarHBondContact O-N 3.13Å
256	H	98.8	Very high	98.9	Very high	45 Å²	45	33.5 Å²	33.5	21%	0.208	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6.6	-177.4	-71.5	-91.5	0	0	0	114	K161 L219 Q220 L252 C253 T254 V258	K161-H256 PolarHBondContact NZ-O 2.88Å; K161-H256 VanDerWaalsContact NZ-O 3.09Å; L219-H256 HydrophobicContact CB-CB 4.03Å; L219-H256 HydrophobicContact CD1-CB 4.21Å; L219-H256 PolarHBondContact O-ND1 2.96Å; Q220-H256 PolarHBondContact NE2-CE1 3.4Å; L252-H256 PolarHBondContact O-CD2 3.02Å; L252-H256 VanDerWaalsContact O-CD2 3.23Å; L252-H256 PolarHBondContact O-N 3.04Å; C253-H256 PolarHBondContact O-N 3.09Å; T254-H256 PolarHBondContact O-N 2.96Å; H256-V258 VanDerWaalsContact C-N 3.29Å; H256-V258 HydrophobicContact CB-CG2 3.96Å; H256-V258 PolarHBondContact O-N 3.07Å
257	Q	98.8	Very high	98.9	Very high	107 Å²	107	33.4 Å²	33.4	50%	0.5	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	50.7	-174.2	-159.5	-167	-4.5	0	0	110.9	W156 K161 C253 T254	W156-Q257 HydrophobicContact CH2-CG 4.08Å; W156-Q257 WeakPolarHBondContact CH2-O 3.37Å; W156-Q257 HydrophobicContact CZ2-CG 4.36Å; K161-Q257 VanDerWaalsContact CD-O 3.28Å; K161-Q257 WeakPolarHBondContact CD-O 3.16Å; K161-Q257 VanDerWaalsContact CE-O 3.27Å; K161-Q257 WeakPolarHBondContact CE-O 3.43Å; K161-Q257 PolarHBondContact NZ-O 3.46Å; C253-Q257 PolarHBondContact O-N 3.32Å; C253-Q257 VanDerWaalsContact O-N 3.14Å; T254-Q257 PolarHBondContact O-N 3.48Å; T254-Q257 VanDerWaalsContact O-N 3.13Å
258	V	98.9	Very high	98.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	13%	0.134	C	C	.	.			trans	-116.6	134.8	179.4	171.2	0	0	0	0	107.5	L219 V224 C253 H256 F260	L219-V258 HydrophobicContact CD2-CB 4.47Å; L219-V258 HydrophobicContact CD2-CG1 4.07Å; L219-V258 HydrophobicContact CD2-CG2 4.14Å; V224-V258 HydrophobicContact CB-CG2 4.26Å; V224-V258 HydrophobicContact CG1-CG1 3.86Å; V224-V258 HydrophobicContact CG1-CG2 4.06Å; C253-V258 CarbonylContact C-O 3.51Å; C253-V258 HydrophobicContact CB-CB 4.49Å; C253-V258 VanDerWaalsContact CB-O 3.29Å; C253-V258 WeakPolarHBondContact CB-O 3.39Å; C253-V258 PolarHBondContact O-N 3.24Å; H256-V258 VanDerWaalsContact C-N 3.29Å; H256-V258 HydrophobicContact CB-CG2 3.96Å; H256-V258 PolarHBondContact O-N 3.07Å; V258-F260 PolarHBondContact O-N 2.98Å
259	L	98.9	Very high	98.9	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.3	178.5	-57.4	-176.1	0	0	0	110.7	A153 W156 A225 A226 F227 D286 I287 I310	A153-L259 HydrophobicContact CB-CD1 4.39Å; W156-L259 HydrophobicContact CB-CD1 4.28Å; W156-L259 HydrophobicContact CD2-CD1 3.79Å; W156-L259 HydrophobicContact CD2-CD2 4.06Å; W156-L259 HydrophobicContact CD2-CG 3.99Å; W156-L259 HydrophobicContact CE3-CD1 3.76Å; W156-L259 HydrophobicContact CE3-CD2 4.17Å; W156-L259 HydrophobicContact CE3-CG 3.71Å; W156-L259 HydrophobicContact CG-CD1 4.01Å; W156-L259 HydrophobicContact CH2-CD2 4.01Å; W156-L259 HydrophobicContact CH2-CG 4.19Å; W156-L259 HydrophobicContact CZ2-CD2 3.89Å; W156-L259 HydrophobicContact CZ2-CG 4.45Å; W156-L259 HydrophobicContact CZ3-CD1 4.38Å; W156-L259 HydrophobicContact CZ3-CD2 4.15Å; W156-L259 HydrophobicContact CZ3-CG 3.82Å; A225-L259 PolarHBondContact O-N 3.19Å; A226-L259 CarbonylContact C-O 3.55Å; A226-L259 WeakPolarHBondContact CA-O 3.04Å; A226-L259 HydrophobicContact CB-CB 4.09Å; A226-L259 WeakPolarHBondContact CB-O 3.33Å; F227-L259 PolarHBondContact N-O 3.21Å; L259-D286 WeakPolarHBondContact CA-OD2 3.32Å; L259-D286 HydrophobicContact CB-CB 4.24Å; L259-D286 HydrophobicContact CD2-CB 4.04Å; L259-I287 HydrophobicContact CD1-CD1 4.2Å; L259-I310 HydrophobicContact CD1-CD1 4.27Å; L259-I310 HydrophobicContact CD1-CG1 4.32Å; L259-I310 HydrophobicContact CD1-CG2 3.99Å; L259-I310 HydrophobicContact CD2-CD1 3.7Å; L259-I310 HydrophobicContact CD2-CG1 4.11Å
260	F	98.9	Very high	98.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112	166.4	175.5	16.5	0	0	0	109.8	V229 V249 R250 C253 V258 A262 V278 V283 P285 D286 I287	V229-F260 HydrophobicContact CG1-CD1 4.12Å; V229-F260 HydrophobicContact CG1-CE1 3.41Å; V229-F260 VanDerWaalsContact CG1-CE1 3.41Å; V229-F260 HydrophobicContact CG1-CZ 4.16Å; V249-F260 HydrophobicContact CG1-CD1 4.04Å; V249-F260 HydrophobicContact CG1-CD2 4.14Å; V249-F260 HydrophobicContact CG1-CE1 4.23Å; V249-F260 HydrophobicContact CG1-CE2 4.23Å; V249-F260 HydrophobicContact CG1-CG 4.06Å; V249-F260 HydrophobicContact CG1-CZ 4.31Å; R250-F260 HydrophobicContact CB-CD2 4.43Å; C253-F260 HydrophobicContact CB-CB 4.09Å; V258-F260 PolarHBondContact O-N 2.98Å; F260-A262 HydrophobicContact CE1-CB 3.81Å; F260-A262 HydrophobicContact CZ-CB 3.86Å; F260-V278 HydrophobicContact CZ-CG1 4.34Å; F260-V283 HydrophobicContact CD2-CG1 4.13Å; F260-V283 HydrophobicContact CE2-CG1 3.6Å; F260-P285 HydrophobicContact CD2-CB 4.13Å; F260-P285 HydrophobicContact CD2-CG 4.36Å; F260-P285 HydrophobicContact CE2-CB 4.24Å; F260-P285 HydrophobicContact CE2-CG 4Å; F260-P285 HydrophobicContact CG-CB 4.34Å; F260-P285 HydrophobicContact CZ-CG 4.23Å; F260-D286 PolarHBondContact N-OD2 3.11Å; F260-D286 PolarHBondContact O-N 2.79Å; F260-I287 PolarHBondContact O-N 2.8Å; F260-I287 VanDerWaalsContact O-N 3.07Å
261	I	99	Very high	98.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.9	171.4	-50.5	173.7	0	0	0	109	A149 A153 A226 F227 M228 V229 I287 L289	A149-I261 HydrophobicContact CB-CD1 4.16Å; A149-I261 HydrophobicContact CB-CG2 3.95Å; A153-I261 HydrophobicContact CB-CD1 4.08Å; A226-I261 HydrophobicContact CB-CD1 3.65Å; A226-I261 HydrophobicContact CB-CG1 4.06Å; F227-I261 PolarHBondContact O-N 3.21Å; M228-I261 WeakPolarHBondContact CA-O 3.47Å; M228-I261 HydrophobicContact CB-CB 4.03Å; M228-I261 HydrophobicContact CB-CD1 4.35Å; M228-I261 HydrophobicContact CB-CG2 4.41Å; M228-I261 HydrophobicContact CG-CB 4.12Å; M228-I261 HydrophobicContact CG-CG2 3.97Å; M228-I261 HydrophobicContact SD-CG2 4.26Å; V229-I261 PolarHBondContact N-O 2.91Å; I261-I287 CarbonylContact C-O 3.57Å; I261-I287 WeakPolarHBondContact CA-O 3.29Å; I261-I287 HydrophobicContact CB-CB 4.41Å; I261-I287 HydrophobicContact CD1-CD1 4.39Å; I261-I287 HydrophobicContact CG1-CB 4.11Å; I261-I287 HydrophobicContact CG1-CD1 4.1Å; I261-I287 HydrophobicContact CG1-CG1 4.32Å; I261-I287 HydrophobicContact CG2-CB 4.22Å; I261-I287 HydrophobicContact CG2-CG2 4.33Å; I261-L289 HydrophobicContact CG2-CD1 4.05Å; I261-L289 HydrophobicContact CG2-CD2 4.17Å; I261-L289 HydrophobicContact CG2-CG 4.05Å
262	A	98.9	Very high	98.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.5	173.4	0	0	0	0	0	110.6	F260 E264 V278 P285 I287 L289	F260-A262 HydrophobicContact CE1-CB 3.81Å; F260-A262 HydrophobicContact CZ-CB 3.86Å; A262-E264 HydrophobicContact CB-CG 4.32Å; A262-E264 PolarHBondContact O-N 3.09Å; A262-V278 HydrophobicContact CB-CG1 4.12Å; A262-P285 HydrophobicContact CB-CB 3.74Å; A262-P285 HydrophobicContact CB-CG 3.38Å; A262-I287 PolarHBondContact N-O 3.48Å; A262-L289 PolarHBondContact O-N 3.27Å
263	D	98.9	Very high	98.9	Very high	9 Å²	9	19.9 Å²	19.9	5%	0.048	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	95.5	169.8	-168.8	-22.4	0	0	0	109.8	M228 V229 E230 P231 I265 L289	M228-D263 HydrophobicContact CE-CB 4.13Å; V229-D263 PolarHBondContact O-N 3.09Å; E230-D263 HydrophobicContact CG-CB 4.1Å; P231-D263 WeakPolarHBondContact CD-O 3.34Å; D263-I265 WeakPolarHBondContact OD1-CB 3.41Å; D263-I265 VanDerWaalsContact OD1-CD1 3.29Å; D263-I265 WeakPolarHBondContact OD1-CD1 3.3Å; D263-I265 WeakPolarHBondContact OD1-CG1 3.5Å; D263-I265 PolarHBondContact OD1-N 2.92Å; D263-L289 HydrophobicContact CB-CD1 4.32Å
264	E	98.9	Very high	98.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.113	C	C	.	.			trans	-100.4	15.9	177.7	-71.6	-89.2	-163.4	0	0	111.6	P231 A262 Q266 T267 G268 L276 A277 V278 V288 L289 L290	P231-E264 HydrophobicContact CG-CG 4.09Å; P231-E264 WeakPolarHBondContact CG-OE1 3.39Å; A262-E264 HydrophobicContact CB-CG 4.32Å; A262-E264 PolarHBondContact O-N 3.09Å; E264-Q266 PolarHBondContact O-N 3.38Å; E264-T267 VanDerWaalsContact OE2-C 3.25Å; E264-T267 WeakPolarHBondContact OE2-CB 3.36Å; E264-T267 PolarHBondContact OE2-OG1 2.87Å; E264-G268 WeakPolarHBondContact O-CA 3.36Å; E264-G268 PolarHBondContact O-N 2.74Å; E264-G268 VanDerWaalsContact OE2-CA 3.3Å; E264-G268 WeakPolarHBondContact OE2-CA 3.2Å; E264-G268 PolarHBondContact OE2-N 2.9Å; E264-L276 HydrophobicContact CB-CD2 4.12Å; E264-L276 HydrophobicContact CG-CB 4.46Å; E264-L276 HydrophobicContact CG-CD2 4.11Å; E264-L276 WeakPolarHBondContact OE1-CB 3.33Å; E264-A277 VanDerWaalsContact CD-N 3.28Å; E264-A277 WeakPolarHBondContact OE1-CA 3.48Å; E264-A277 PolarHBondContact OE1-N 2.93Å; E264-A277 WeakPolarHBondContact OE2-CB 3.28Å; E264-A277 PolarHBondContact OE2-N 2.9Å; E264-V278 WeakPolarHBondContact OE1-CG1 3.16Å; E264-V278 PolarHBondContact OE1-N 2.84Å; E264-V288 HydrophobicContact CB-CG1 4.2Å; E264-V288 HydrophobicContact CG-CG1 4.31Å; E264-L289 CarbonylContact C-O 3.59Å; E264-L289 WeakPolarHBondContact CA-O 3.27Å; E264-L289 WeakPolarHBondContact CB-O 3.16Å; E264-L289 PolarHBondContact N-O 3.39Å; E264-L290 HydrophobicContact CB-CD2 3.89Å
265	I	98.9	Very high	98.9	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.062	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.5	-177.4	-68.6	163.1	0	0	0	110.5	G142 A145 D263 L289 K292	G142-I265 VanDerWaalsContact CA-CD1 3.48Å; G142-I265 WeakPolarHBondContact O-CD1 3.25Å; A145-I265 HydrophobicContact CB-CD1 4.48Å; D263-I265 WeakPolarHBondContact OD1-CB 3.41Å; D263-I265 VanDerWaalsContact OD1-CD1 3.29Å; D263-I265 WeakPolarHBondContact OD1-CD1 3.3Å; D263-I265 WeakPolarHBondContact OD1-CG1 3.5Å; D263-I265 PolarHBondContact OD1-N 2.92Å; I265-L289 HydrophobicContact CD1-CB 4.01Å; I265-L289 HydrophobicContact CG1-CB 3.96Å; I265-L289 PolarHBondContact N-O 3.24Å; I265-K292 HydrophobicContact CG2-CB 4.41Å; I265-K292 HydrophobicContact CG2-CD 3.98Å; I265-K292 HydrophobicContact CG2-CG 3.69Å; I265-K292 WeakPolarHBondContact O-CB 3.34Å; I265-K292 WeakPolarHBondContact O-CD 3.27Å
266	Q	98.9	Very high	98.9	Very high	8 Å²	8	17.7 Å²	17.7	4%	0.037	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-37.2	177.8	-173.8	164.8	-166.9	0	0	113.6	E264 R271 K292	E264-Q266 PolarHBondContact O-N 3.38Å; Q266-R271 WeakPolarHBondContact O-CG 3.39Å; Q266-K292 HydrophobicContact CB-CD 4.46Å
267	T	98.9	Very high	98.9	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-21.7	-170.2	51.5	0	0	0	0	114.2	I232 E264 T272 L377	I232-T267 HydrophobicContact CB-CG2 3.84Å; I232-T267 HydrophobicContact CG1-CG2 4.49Å; I232-T267 WeakPolarHBondContact O-CG2 3.44Å; E264-T267 VanDerWaalsContact OE2-C 3.25Å; E264-T267 WeakPolarHBondContact OE2-CB 3.36Å; E264-T267 PolarHBondContact OE2-OG1 2.87Å; T267-T272 HydrophobicContact CG2-CG2 4.47Å; T267-T272 WeakPolarHBondContact O-CG2 3.43Å; T267-T272 PolarHBondContact O-OG1 3.06Å; T267-L377 HydrophobicContact CG2-CD2 4.08Å
268	G	98.8	Very high	98.9	Very high	3 Å²	3	10.7 Å²	10.7	3%	0.031	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-170.5	-178.6	0	0	0	0	0	112.7	E264 R271 W275	E264-G268 WeakPolarHBondContact O-CA 3.36Å; E264-G268 PolarHBondContact O-N 2.74Å; E264-G268 VanDerWaalsContact OE2-CA 3.3Å; E264-G268 WeakPolarHBondContact OE2-CA 3.2Å; E264-G268 PolarHBondContact OE2-N 2.9Å; G268-R271 VanDerWaalsContact O-CB 3.32Å; G268-R271 WeakPolarHBondContact O-CB 3.2Å; G268-R271 PolarHBondContact O-N 2.67Å; G268-W275 CarbonylContact C-O 3.57Å
269	L	98.9	Very high	98.9	Very high	2 Å²	2	13 Å²	13	1%	0.01	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	56.9	174.8	-53.9	-176.7	0	0	0	112.1	F131 R271 W275 L290 A293 L294 L337 L340	F131-L269 HydrophobicContact CE1-CD2 4.44Å; F131-L269 HydrophobicContact CE2-CD2 4.44Å; F131-L269 HydrophobicContact CZ-CD2 3.64Å; L269-R271 PolarHBondContact O-N 2.91Å; L269-W275 PolarHBondContact N-O 3.32Å; L269-L290 HydrophobicContact CD2-CD1 4.26Å; L269-L290 HydrophobicContact CD2-CD2 4.23Å; L269-L290 HydrophobicContact CG-CD2 4.29Å; L269-A293 HydrophobicContact CB-CB 4.08Å; L269-A293 VanDerWaalsContact CD1-C 3.49Å; L269-A293 HydrophobicContact CD1-CB 3.83Å; L269-L294 HydrophobicContact CD1-CB 3.88Å; L269-L337 HydrophobicContact CD2-CD2 3.78Å; L269-L340 HydrophobicContact CB-CD1 3.79Å; L269-L340 HydrophobicContact CD2-CD1 4.33Å
270	A	98.9	Very high	98.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.008	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	-11.9	177.8	0	0	0	0	0	116.2	T272 G273 R274 L340 L345 A346 A349 L418	A270-T272 VanDerWaalsContact C-N 3.27Å; A270-T272 PolarHBondContact O-N 3.19Å; A270-T272 VanDerWaalsContact O-N 3.15Å; A270-G273 PolarHBondContact O-N 2.85Å; A270-R274 WeakPolarHBondContact CA-O 3.5Å; A270-R274 PolarHBondContact N-O 2.93Å; A270-R274 VanDerWaalsContact N-O 3.15Å; A270-L340 HydrophobicContact CB-CD2 4.1Å; A270-L345 HydrophobicContact CB-CB 4.19Å; A270-A346 HydrophobicContact CB-CB 3.86Å; A270-A349 WeakPolarHBondContact O-CB 3.03Å; A270-L418 HydrophobicContact CB-CD1 3.57Å
271	R	98.9	Very high	98.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-46.1	-172.8	172.7	51.1	49.2	-175	0.5	113	S86 S89 Q266 G268 L269 L376 L377 P416	S86-R271 PolarHBondContact OG-NE 2.83Å; S89-R271 PolarHBondContact OG-NH2 2.74Å; Q266-R271 WeakPolarHBondContact O-CG 3.39Å; G268-R271 VanDerWaalsContact O-CB 3.32Å; G268-R271 WeakPolarHBondContact O-CB 3.2Å; G268-R271 PolarHBondContact O-N 2.67Å; L269-R271 PolarHBondContact O-N 2.91Å; R271-L376 WeakPolarHBondContact CD-O 3.35Å; R271-L376 PolarHBondContact NH1-O 3.47Å; R271-L376 PolarHBondContact O-N 2.71Å; R271-L377 HydrophobicContact CG-CB 3.87Å; R271-P416 PolarHBondContact NH1-O 3.04Å; R271-P416 PolarHBondContact NH2-O 2.81Å
272	T	98.9	Very high	98.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0	-176.7	54.2	0	0	0	0	113.9	I232 T267 A270 A277 Y280 K374 G375 L377	I232-T272 HydrophobicContact CD1-CG2 3.88Å; T267-T272 HydrophobicContact CG2-CG2 4.47Å; T267-T272 WeakPolarHBondContact O-CG2 3.43Å; T267-T272 PolarHBondContact O-OG1 3.06Å; A270-T272 VanDerWaalsContact C-N 3.27Å; A270-T272 PolarHBondContact O-N 3.19Å; A270-T272 VanDerWaalsContact O-N 3.15Å; T272-A277 HydrophobicContact CG2-CB 4.01Å; T272-A277 WeakPolarHBondContact OG1-CB 3.27Å; T272-Y280 WeakPolarHBondContact O-CE2 3.47Å; T272-Y280 PolarHBondContact O-OH 3.1Å; T272-K374 HydrophobicContact CG2-CB 4.45Å; T272-K374 CarbonylContact O-C 3.37Å; T272-G375 VanDerWaalsContact C-CA 3.49Å; T272-G375 WeakPolarHBondContact O-CA 3.34Å; T272-G375 PolarHBondContact O-N 2.8Å; T272-L377 HydrophobicContact CG2-CD2 4.41Å
273	G	98.9	Very high	98.9	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.118	C	C	.	.	S	Bend	trans	101.4	1.7	-176	0	0	0	0	0	114.6	A270 A346	A270-G273 PolarHBondContact O-N 2.85Å; G273-A346 CarbonylContact C-O 3.46Å; G273-A346 VanDerWaalsContact CA-O 3.28Å; G273-A346 WeakPolarHBondContact CA-O 3.42Å
274	R	98.9	Very high	98.8	Very high	94 Å²	94	29 Å²	29	36%	0.355	13%	0.133	S	C	.	.	S	Bend	trans	-138.3	167	174.8	-64	-64.2	-179	-76	-8.4	109.7	A270 L276 D279 Y280 E350	A270-R274 WeakPolarHBondContact CA-O 3.5Å; A270-R274 PolarHBondContact N-O 2.93Å; A270-R274 VanDerWaalsContact N-O 3.15Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 VanDerWaalsContact CB-O 3.28Å; R274-L276 WeakPolarHBondContact CB-O 3.48Å; R274-L276 PolarHBondContact O-N 3.29Å; R274-D279 HydrophobicContact CB-CB 3.94Å; R274-D279 HydrophobicContact CG-CB 4.21Å; R274-Y280 HydrophobicContact CB-CE2 4.4Å; R274-Y280 HydrophobicContact CG-CD2 3.95Å; R274-Y280 HydrophobicContact CG-CE1 4.45Å; R274-Y280 HydrophobicContact CG-CE2 3.75Å; R274-Y280 HydrophobicContact CG-CG 4.39Å; R274-E350 IonicContact CZ-OE2 2.98Å; R274-E350 IonicContact NH1-OE2 2.72Å; R274-E350 PolarHBondContact NH1-OE2 3.41Å; R274-E350 IonicContact NH2-OE2 2.9Å
275	W	98.8	Very high	98.8	Very high	69 Å²	69	29 Å²	29	26%	0.261	13%	0.133	S	C	.	.	S	Bend	trans	-58.8	-45.8	175.7	-86.1	106.2	0	0	0	111.3	L130 F131 G268 L269 L337 L340 K341	L130-W275 HydrophobicContact CD1-CH2 4.36Å; L130-W275 HydrophobicContact CD1-CZ2 4.15Å; L130-W275 HydrophobicContact CD2-CE3 4.49Å; L130-W275 HydrophobicContact CD2-CH2 4.09Å; L130-W275 HydrophobicContact CD2-CZ3 3.99Å; F131-W275 HydrophobicContact CE1-CB 4.33Å; F131-W275 HydrophobicContact CE1-CE3 4.09Å; F131-W275 AromaticContact CZ-CE3 3.97Å; F131-W275 HydrophobicContact CZ-CE3 3.97Å; F131-W275 HydrophobicContact CZ-CZ3 4.39Å; G268-W275 CarbonylContact C-O 3.57Å; L269-W275 PolarHBondContact N-O 3.32Å; W275-L337 HydrophobicContact CZ3-CD2 4.39Å; W275-L340 HydrophobicContact CH2-CB 3.74Å; W275-L340 HydrophobicContact CZ3-CB 3.91Å; W275-L340 HydrophobicContact CZ3-CD1 4.03Å; W275-K341 HydrophobicContact CH2-CB 3.96Å; W275-K341 HydrophobicContact CZ2-CB 3.76Å; W275-K341 HydrophobicContact CZ2-CG 4.19Å
276	L	98.9	Very high	98.8	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	14%	0.137	C	C	.	.	S	Bend	trans	-125.4	145.1	171	-56.2	175.9	0	0	0	108.9	F131 E264 R274 V278 D279 V288 L290	F131-L276 HydrophobicContact CD1-CD1 3.98Å; F131-L276 HydrophobicContact CD1-CD2 4.03Å; F131-L276 HydrophobicContact CD1-CG 4.01Å; F131-L276 HydrophobicContact CE1-CD1 4.5Å; F131-L276 HydrophobicContact CE1-CD2 3.77Å; F131-L276 HydrophobicContact CE1-CG 4.03Å; E264-L276 HydrophobicContact CB-CD2 4.12Å; E264-L276 HydrophobicContact CG-CB 4.46Å; E264-L276 HydrophobicContact CG-CD2 4.11Å; E264-L276 WeakPolarHBondContact OE1-CB 3.33Å; R274-L276 VanDerWaalsContact C-N 3.31Å; R274-L276 VanDerWaalsContact CB-O 3.28Å; R274-L276 WeakPolarHBondContact CB-O 3.48Å; R274-L276 PolarHBondContact O-N 3.29Å; L276-V278 HydrophobicContact CB-CG2 3.68Å; L276-V278 HydrophobicContact CD1-CG2 4.19Å; L276-V278 PolarHBondContact O-N 2.89Å; L276-D279 PolarHBondContact N-OD2 3.35Å; L276-D279 WeakPolarHBondContact O-CB 3.23Å; L276-D279 PolarHBondContact O-N 2.9Å; L276-V288 HydrophobicContact CD1-CG1 4.33Å; L276-V288 HydrophobicContact CD1-CG2 4.38Å; L276-V288 HydrophobicContact CD2-CG1 4.2Å; L276-L290 HydrophobicContact CD2-CD2 3.8Å
277	A	98.9	Very high	98.9	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-64.7	-28.4	176.7	0	0	0	0	0	112.7	P231 E264 T272 D279 Y280	P231-A277 HydrophobicContact CB-CB 3.61Å; P231-A277 HydrophobicContact CG-CB 4.19Å; E264-A277 VanDerWaalsContact CD-N 3.28Å; E264-A277 WeakPolarHBondContact OE1-CA 3.48Å; E264-A277 PolarHBondContact OE1-N 2.93Å; E264-A277 WeakPolarHBondContact OE2-CB 3.28Å; E264-A277 PolarHBondContact OE2-N 2.9Å; T272-A277 HydrophobicContact CG2-CB 4.01Å; T272-A277 WeakPolarHBondContact OG1-CB 3.27Å; A277-D279 PolarHBondContact O-N 3.02Å; A277-Y280 WeakPolarHBondContact O-CD2 3.38Å; A277-Y280 PolarHBondContact O-N 2.76Å
278	V	98.9	Very high	98.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.5	-21.6	171.6	-65.1	0	0	0	0	113.4	P231 L246 F260 A262 E264 L276 Y280 E281 N282 V283 P285	P231-V278 HydrophobicContact CB-CG1 4.4Å; P231-V278 HydrophobicContact CG-CG1 3.83Å; L246-V278 HydrophobicContact CD1-CG1 4.24Å; F260-V278 HydrophobicContact CZ-CG1 4.34Å; A262-V278 HydrophobicContact CB-CG1 4.12Å; E264-V278 WeakPolarHBondContact OE1-CG1 3.16Å; E264-V278 PolarHBondContact OE1-N 2.84Å; L276-V278 HydrophobicContact CB-CG2 3.68Å; L276-V278 HydrophobicContact CD1-CG2 4.19Å; L276-V278 PolarHBondContact O-N 2.89Å; V278-Y280 PolarHBondContact O-N 3.01Å; V278-E281 PolarHBondContact O-N 3.3Å; V278-E281 VanDerWaalsContact O-N 3.12Å; V278-N282 PolarHBondContact O-N 2.73Å; V278-V283 HydrophobicContact CB-CB 4.22Å; V278-V283 WeakPolarHBondContact CG2-O 3.3Å; V278-V283 PolarHBondContact O-N 3.22Å; V278-P285 HydrophobicContact CB-CG 4.44Å; V278-P285 HydrophobicContact CG1-CG 4.03Å; V278-P285 HydrophobicContact CG2-CG 4.09Å
279	D	98.9	Very high	98.9	Very high	53 Å²	53	29.3 Å²	29.3	28%	0.283	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-65.6	-21.9	179.5	-59.7	-22.7	0	0	0	112.2	R274 L276 A277 E281 N282	R274-D279 HydrophobicContact CB-CB 3.94Å; R274-D279 HydrophobicContact CG-CB 4.21Å; L276-D279 PolarHBondContact N-OD2 3.35Å; L276-D279 WeakPolarHBondContact O-CB 3.23Å; L276-D279 PolarHBondContact O-N 2.9Å; A277-D279 PolarHBondContact O-N 3.02Å; D279-E281 PolarHBondContact O-N 3.1Å; D279-N282 PolarHBondContact O-N 3.46Å; D279-N282 VanDerWaalsContact O-N 3.16Å
280	Y	98.8	Very high	98.9	Very high	61 Å²	61	29.2 Å²	29.2	24%	0.239	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-59.8	-25.5	174.2	-86.3	-77.7	0	0	0	113.2	T272 R274 A277 V278 E350 K374	T272-Y280 WeakPolarHBondContact O-CE2 3.47Å; T272-Y280 PolarHBondContact O-OH 3.1Å; R274-Y280 HydrophobicContact CB-CE2 4.4Å; R274-Y280 HydrophobicContact CG-CD2 3.95Å; R274-Y280 HydrophobicContact CG-CE1 4.45Å; R274-Y280 HydrophobicContact CG-CE2 3.75Å; R274-Y280 HydrophobicContact CG-CG 4.39Å; A277-Y280 WeakPolarHBondContact O-CD2 3.38Å; A277-Y280 PolarHBondContact O-N 2.76Å; V278-Y280 PolarHBondContact O-N 3.01Å; Y280-E350 PolarHBondContact OH-OE2 3.28Å; Y280-K374 HydrophobicContact CD2-CD 3.99Å; Y280-K374 HydrophobicContact CE2-CB 4.33Å; Y280-K374 HydrophobicContact CE2-CD 3.94Å; Y280-K374 HydrophobicContact CG-CD 4.34Å
281	E	98.7	Very high	98.9	Very high	34 Å²	34	29.2 Å²	29.2	16%	0.159	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-115.7	13.4	179.3	-62.9	-174	-165.3	0	0	111.8	G244 L246 M247 V278 D279 V283	G244-E281 VanDerWaalsContact C-OE2 3.29Å; G244-E281 VanDerWaalsContact CA-OE2 3.24Å; G244-E281 WeakPolarHBondContact CA-OE2 3.45Å; G244-E281 VanDerWaalsContact N-CD 3.33Å; G244-E281 PolarHBondContact N-OE1 3.45Å; G244-E281 PolarHBondContact N-OE2 3.3Å; L246-E281 WeakPolarHBondContact CA-OE2 3.12Å; L246-E281 PolarHBondContact N-OE2 3.45Å; M247-E281 HydrophobicContact CB-CB 4.47Å; M247-E281 PolarHBondContact N-OE2 2.78Å; V278-E281 PolarHBondContact O-N 3.3Å; V278-E281 VanDerWaalsContact O-N 3.12Å; D279-E281 PolarHBondContact O-N 3.1Å; E281-V283 HydrophobicContact CB-CG2 3.86Å; E281-V283 PolarHBondContact O-N 3.31Å
282	N	98.6	Very high	98.9	Very high	154 Å²	154	32 Å²	32	82%	0.824	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	35.7	-175.3	-60.5	-49.7	0	0	0	113.2	V278 D279	V278-N282 PolarHBondContact O-N 2.73Å; D279-N282 PolarHBondContact O-N 3.46Å; D279-N282 VanDerWaalsContact O-N 3.16Å
283	V	98.6	Very high	98.8	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.055	15%	0.146	C	C	.	.			trans	-92.1	130.2	-177.4	174.4	0	0	0	0	110.1	L246 M247 R250 F260 V278 E281 P285	L246-V283 HydrophobicContact CB-CG2 4.35Å; M247-V283 HydrophobicContact CB-CG2 4.25Å; R250-V283 HydrophobicContact CB-CG1 3.71Å; R250-V283 HydrophobicContact CB-CG2 4.4Å; R250-V283 HydrophobicContact CG-CG1 4.01Å; F260-V283 HydrophobicContact CD2-CG1 4.13Å; F260-V283 HydrophobicContact CE2-CG1 3.6Å; V278-V283 HydrophobicContact CB-CB 4.22Å; V278-V283 WeakPolarHBondContact CG2-O 3.3Å; V278-V283 PolarHBondContact O-N 3.22Å; E281-V283 HydrophobicContact CB-CG2 3.86Å; E281-V283 PolarHBondContact O-N 3.31Å; V283-P285 WeakPolarHBondContact O-CD 3.37Å
284	R	98.8	Very high	98.9	Very high	94 Å²	94	32 Å²	32	36%	0.355	15%	0.145	S	C	.	.			trans	-103.5	107.5	169.2	-171.2	178.2	-178.7	-94.9	7	110.1	N132 R250 D307	N132-R284 PolarHBondContact O-NE 3.25Å; N132-R284 PolarHBondContact O-NH2 3.44Å; R250-R284 WeakPolarHBondContact CD-O 3.44Å; R250-R284 PolarHBondContact NH1-O 3.16Å; R284-D307 IonicContact CZ-OD1 3.19Å; R284-D307 IonicContact CZ-OD2 3.68Å; R284-D307 VanDerWaalsContact CZ-OD2 3.28Å; R284-D307 IonicContact NH1-OD2 3.84Å; R284-D307 PolarHBondContact NH1-OD2 3.23Å; R284-D307 VanDerWaalsContact NH2-CG 3.3Å; R284-D307 IonicContact NH2-OD1 3.42Å; R284-D307 PolarHBondContact NH2-OD1 3.23Å; R284-D307 IonicContact NH2-OD2 2.75Å; R284-D307 PolarHBondContact NH2-OD2 2.92Å
285	P	98.9	Very high	98.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	13%	0.13	C	C	.	.			trans	-62.7	160.9	173.2	-23.3	35.3	0	0	0	112.2	Y133 F260 A262 V278 V283 I287 V288	Y133-P285 WeakPolarHBondContact OH-CD 3.45Å; Y133-P285 PolarHBondContact OH-O 3.33Å; F260-P285 HydrophobicContact CD2-CB 4.13Å; F260-P285 HydrophobicContact CD2-CG 4.36Å; F260-P285 HydrophobicContact CE2-CB 4.24Å; F260-P285 HydrophobicContact CE2-CG 4Å; F260-P285 HydrophobicContact CG-CB 4.34Å; F260-P285 HydrophobicContact CZ-CG 4.23Å; A262-P285 HydrophobicContact CB-CB 3.74Å; A262-P285 HydrophobicContact CB-CG 3.38Å; V278-P285 HydrophobicContact CB-CG 4.44Å; V278-P285 HydrophobicContact CG1-CG 4.03Å; V278-P285 HydrophobicContact CG2-CG 4.09Å; V283-P285 WeakPolarHBondContact O-CD 3.37Å; P285-I287 WeakPolarHBondContact CB-O 3.4Å; P285-V288 HydrophobicContact CB-CG2 3.82Å; P285-V288 HydrophobicContact CG-CG2 3.76Å
286	D	98.9	Very high	98.8	Very high	29 Å²	29	24.4 Å²	24.4	16%	0.155	12%	0.117	C	C	.	.	S	Bend	trans	-78.5	-32.7	172.3	-60.4	-50.8	0	0	0	111	R250 L259 F260 C306 I310	R250-D286 IonicContact CZ-OD1 3.05Å; R250-D286 IonicContact CZ-OD2 2.71Å; R250-D286 IonicContact NH1-OD1 3.29Å; R250-D286 PolarHBondContact NH1-OD1 3Å; R250-D286 IonicContact NH1-OD2 3.83Å; R250-D286 PolarHBondContact NH1-OD2 2.88Å; R250-D286 IonicContact NH2-OD1 3.47Å; R250-D286 PolarHBondContact NH2-OD1 3.48Å; R250-D286 VanDerWaalsContact NH2-OD1 3.13Å; R250-D286 IonicContact NH2-OD2 3.47Å; R250-D286 PolarHBondContact NH2-OD2 3.13Å; L259-D286 WeakPolarHBondContact CA-OD2 3.32Å; L259-D286 HydrophobicContact CB-CB 4.24Å; L259-D286 HydrophobicContact CD2-CB 4.04Å; F260-D286 PolarHBondContact N-OD2 3.11Å; F260-D286 PolarHBondContact O-N 2.79Å; D286-C306 WeakPolarHBondContact O-CB 3.49Å; D286-I310 HydrophobicContact CB-CD1 3.85Å
287	I	99	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.7	173.3	-49.9	-174.4	0	0	0	109.1	A149 L152 L259 F260 I261 A262 P285 L289 V304 L305 C306 I310	A149-I287 HydrophobicContact CB-CG2 4.27Å; L152-I287 HydrophobicContact CB-CD1 4.11Å; L259-I287 HydrophobicContact CD1-CD1 4.2Å; F260-I287 PolarHBondContact O-N 2.8Å; F260-I287 VanDerWaalsContact O-N 3.07Å; I261-I287 CarbonylContact C-O 3.57Å; I261-I287 WeakPolarHBondContact CA-O 3.29Å; I261-I287 HydrophobicContact CB-CB 4.41Å; I261-I287 HydrophobicContact CD1-CD1 4.39Å; I261-I287 HydrophobicContact CG1-CB 4.11Å; I261-I287 HydrophobicContact CG1-CD1 4.1Å; I261-I287 HydrophobicContact CG1-CG1 4.32Å; I261-I287 HydrophobicContact CG2-CB 4.22Å; I261-I287 HydrophobicContact CG2-CG2 4.33Å; A262-I287 PolarHBondContact N-O 3.48Å; P285-I287 WeakPolarHBondContact CB-O 3.4Å; I287-L289 HydrophobicContact CG2-CD2 3.92Å; I287-V304 HydrophobicContact CG2-CG1 3.48Å; I287-V304 VanDerWaalsContact CG2-CG1 3.48Å; I287-L305 CarbonylContact C-O 3.54Å; I287-L305 WeakPolarHBondContact CA-O 3.48Å; I287-C306 HydrophobicContact CB-CB 4.37Å; I287-C306 HydrophobicContact CG1-CB 3.93Å; I287-C306 HydrophobicContact CG2-CB 4.47Å; I287-I310 HydrophobicContact CD1-CG2 3.87Å; I287-I310 HydrophobicContact CG1-CG2 4.19Å
288	V	99	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.6	172.1	173.4	0	0	0	0	110.1	Y133 E264 L276 P285 L290 L305	Y133-V288 HydrophobicContact CE2-CB 4.37Å; Y133-V288 HydrophobicContact CE2-CG2 3.93Å; Y133-V288 WeakPolarHBondContact OH-CG2 3.48Å; E264-V288 HydrophobicContact CB-CG1 4.2Å; E264-V288 HydrophobicContact CG-CG1 4.31Å; L276-V288 HydrophobicContact CD1-CG1 4.33Å; L276-V288 HydrophobicContact CD1-CG2 4.38Å; L276-V288 HydrophobicContact CD2-CG1 4.2Å; P285-V288 HydrophobicContact CB-CG2 3.82Å; P285-V288 HydrophobicContact CG-CG2 3.76Å; V288-L290 HydrophobicContact CG1-CD2 4.09Å; V288-L290 HydrophobicContact CG1-CG 4.09Å; V288-L305 HydrophobicContact CB-CB 4.34Å; V288-L305 PolarHBondContact N-O 3.39Å; V288-L305 PolarHBondContact O-N 3.37Å
289	L	99	Very high	98.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.5	175	-43.1	-176.1	0	0	0	110.1	A149 M228 I261 A262 D263 E264 I265 I287 A303 V304	A149-L289 HydrophobicContact CB-CD1 4.22Å; A149-L289 HydrophobicContact CB-CD2 3.54Å; A149-L289 HydrophobicContact CB-CG 4.47Å; M228-L289 HydrophobicContact CE-CD1 3.63Å; M228-L289 HydrophobicContact SD-CD1 4.42Å; I261-L289 HydrophobicContact CG2-CD1 4.05Å; I261-L289 HydrophobicContact CG2-CD2 4.17Å; I261-L289 HydrophobicContact CG2-CG 4.05Å; A262-L289 PolarHBondContact O-N 3.27Å; D263-L289 HydrophobicContact CB-CD1 4.32Å; E264-L289 CarbonylContact C-O 3.59Å; E264-L289 WeakPolarHBondContact CA-O 3.27Å; E264-L289 WeakPolarHBondContact CB-O 3.16Å; E264-L289 PolarHBondContact N-O 3.39Å; I265-L289 HydrophobicContact CD1-CB 4.01Å; I265-L289 HydrophobicContact CG1-CB 3.96Å; I265-L289 PolarHBondContact N-O 3.24Å; I287-L289 HydrophobicContact CG2-CD2 3.92Å; L289-A303 WeakPolarHBondContact CA-O 3.46Å; L289-V304 HydrophobicContact CD2-CB 4.41Å; L289-V304 HydrophobicContact CD2-CG1 3.98Å; L289-V304 HydrophobicContact CD2-CG2 4Å
290	L	99	Very high	98.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.5	175.4	-60.4	174.9	0	0	0	110.3	I127 F131 E264 L269 L276 V288 L294 S302 A303 L305	I127-L290 HydrophobicContact CD1-CD1 4.33Å; F131-L290 HydrophobicContact CD2-CD1 4.04Å; F131-L290 HydrophobicContact CE1-CD1 4.31Å; F131-L290 HydrophobicContact CE2-CD1 3.67Å; F131-L290 HydrophobicContact CZ-CD1 3.83Å; E264-L290 HydrophobicContact CB-CD2 3.89Å; L269-L290 HydrophobicContact CD2-CD1 4.26Å; L269-L290 HydrophobicContact CD2-CD2 4.23Å; L269-L290 HydrophobicContact CG-CD2 4.29Å; L276-L290 HydrophobicContact CD2-CD2 3.8Å; V288-L290 HydrophobicContact CG1-CD2 4.09Å; V288-L290 HydrophobicContact CG1-CG 4.09Å; L290-L294 HydrophobicContact CB-CD2 4.34Å; L290-S302 CarbonylContact O-C 3.49Å; L290-S302 WeakPolarHBondContact O-CA 3.29Å; L290-S302 WeakPolarHBondContact O-CB 3.45Å; L290-A303 HydrophobicContact CB-CB 4.37Å; L290-A303 PolarHBondContact N-O 3.1Å; L290-A303 PolarHBondContact O-N 3.38Å; L290-L305 HydrophobicContact CD1-CD1 3.64Å; L290-L305 HydrophobicContact CG-CD1 4.37Å
291	G	98.8	Very high	98.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	16%	0.158	C	C	.	.			trans	-170.2	-151	176.5	0	0	0	0	0	109.9	A293 L294 V301	G291-A293 PolarHBondContact O-N 2.85Å; G291-L294 WeakPolarHBondContact O-CB 3.47Å; G291-L294 PolarHBondContact O-N 2.82Å; G291-V301 WeakPolarHBondContact CA-O 3.14Å
292	K	98.8	Very high	98.8	Very high	58 Å²	58	27.7 Å²	27.7	25%	0.252	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	48.5	-100.6	173.1	-68.2	-174.6	171.5	94	0	112.8	Y85 A87 I265 Q266 L294 S295	Y85-K292 WeakPolarHBondContact O-CD 3.4Å; Y85-K292 VanDerWaalsContact O-CE 3.27Å; Y85-K292 WeakPolarHBondContact O-CE 3.29Å; A87-K292 HydrophobicContact CB-CB 3.99Å; A87-K292 HydrophobicContact CB-CG 4.48Å; I265-K292 HydrophobicContact CG2-CB 4.41Å; I265-K292 HydrophobicContact CG2-CD 3.98Å; I265-K292 HydrophobicContact CG2-CG 3.69Å; I265-K292 WeakPolarHBondContact O-CB 3.34Å; I265-K292 WeakPolarHBondContact O-CD 3.27Å; Q266-K292 HydrophobicContact CB-CD 4.46Å; K292-L294 PolarHBondContact O-N 2.82Å; K292-S295 PolarHBondContact O-N 3.26Å; K292-S295 PolarHBondContact O-OG 3.12Å
293	A	98.8	Very high	98.8	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.025	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-62.3	-10.7	179.4	0	0	0	0	0	114.2	S86 A87 Q90 L269 G291 S295 G296	S86-A293 WeakPolarHBondContact O-CB 3.42Å; A87-A293 WeakPolarHBondContact O-CA 3.22Å; Q90-A293 PolarHBondContact NE2-O 3.03Å; Q90-A293 PolarHBondContact OE1-O 3.43Å; L269-A293 HydrophobicContact CB-CB 4.08Å; L269-A293 VanDerWaalsContact CD1-C 3.49Å; L269-A293 HydrophobicContact CD1-CB 3.83Å; G291-A293 PolarHBondContact O-N 2.85Å; A293-S295 PolarHBondContact O-N 3.23Å; A293-G296 PolarHBondContact O-N 3.35Å
294	L	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-56.4	-22.3	176.5	-174.4	57.3	0	0	0	112.5	I127 L269 L290 G291 K292 V301 A303 A333 A336 L337	I127-L294 HydrophobicContact CD1-CD1 4.1Å; L269-L294 HydrophobicContact CD1-CB 3.88Å; L290-L294 HydrophobicContact CB-CD2 4.34Å; G291-L294 WeakPolarHBondContact O-CB 3.47Å; G291-L294 PolarHBondContact O-N 2.82Å; K292-L294 PolarHBondContact O-N 2.82Å; L294-V301 HydrophobicContact CD2-CB 4.47Å; L294-V301 HydrophobicContact CD2-CG1 3.9Å; L294-V301 HydrophobicContact CG-CG1 4.27Å; L294-A303 HydrophobicContact CD2-CB 3.91Å; L294-A333 HydrophobicContact CD1-CB 4.43Å; L294-A333 HydrophobicContact CG-CB 4.3Å; L294-A333 WeakPolarHBondContact O-CA 3.23Å; L294-A333 WeakPolarHBondContact O-CB 3.47Å; L294-A336 WeakPolarHBondContact O-CB 3.3Å; L294-L337 HydrophobicContact CD1-CD1 3.95Å; L294-L337 HydrophobicContact CD1-CD2 3.9Å; L294-L337 HydrophobicContact CD1-CG 3.99Å
295	S	98.9	Very high	98.8	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.021	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-116.6	3.3	176.6	68	0	0	0	0	114.6	K292 A293 G297 L298 Y299 V332	K292-S295 PolarHBondContact O-N 3.26Å; K292-S295 PolarHBondContact O-OG 3.12Å; A293-S295 PolarHBondContact O-N 3.23Å; S295-G297 PolarHBondContact O-N 2.96Å; S295-G297 PolarHBondContact OG-N 3.28Å; S295-L298 PolarHBondContact O-N 3.4Å; S295-Y299 WeakPolarHBondContact CB-O 3.49Å; S295-Y299 PolarHBondContact OG-O 3.16Å; S295-V332 WeakPolarHBondContact O-CG1 3.36Å
296	G	98.6	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.7	-169	0	0	0	0	0	114	A87 Q90 A293 L298	A87-G296 CarbonylContact O-C 3.58Å; Q90-G296 VanDerWaalsContact OE1-CA 3.25Å; A293-G296 PolarHBondContact O-N 3.35Å; G296-L298 VanDerWaalsContact C-N 3.29Å; G296-L298 WeakPolarHBondContact O-CD1 3.47Å; G296-L298 PolarHBondContact O-N 3.2Å
297	G	98.3	Very high	98.8	Very high	43 Å²	43	15.9 Å²	15.9	44%	0.443	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	3.9	178.5	0	0	0	0	0	115.2	A87 S295	A87-G297 PolarHBondContact O-N 3.18Å; S295-G297 PolarHBondContact O-N 2.96Å; S295-G297 PolarHBondContact OG-N 3.28Å
298	L	98.6	Very high	98.8	Very high	46 Å²	46	17.9 Å²	17.9	24%	0.241	11%	0.105	C	C	.	.	S	Bend	trans	-86.3	-23.6	-177	-87.7	69.9	0	0	0	114	I97 V98 L101 S295 G296 V332	I97-L298 HydrophobicContact CB-CD2 4.07Å; I97-L298 HydrophobicContact CG2-CD1 4.44Å; I97-L298 HydrophobicContact CG2-CD2 3.84Å; V98-L298 HydrophobicContact CB-CD2 4.32Å; V98-L298 HydrophobicContact CG2-CD2 3.8Å; L101-L298 HydrophobicContact CB-CD2 4.35Å; L101-L298 HydrophobicContact CD1-CB 4.15Å; L101-L298 HydrophobicContact CD1-CD2 4.25Å; S295-L298 PolarHBondContact O-N 3.4Å; G296-L298 VanDerWaalsContact C-N 3.29Å; G296-L298 WeakPolarHBondContact O-CD1 3.47Å; G296-L298 PolarHBondContact O-N 3.2Å; L298-V332 HydrophobicContact CB-CG1 3.96Å
299	Y	98.7	Very high	98.8	Very high	53 Å²	53	24.5 Å²	24.5	21%	0.208	14%	0.14	C	C	.	.	S	Bend	trans	-153.2	142.4	-177.4	-153.9	-84.4	0	0	0	111.3	S295 V301 L328	S295-Y299 WeakPolarHBondContact CB-O 3.49Å; S295-Y299 PolarHBondContact OG-O 3.16Å; Y299-V301 HydrophobicContact CD1-CG2 3.96Å; Y299-V301 PolarHBondContact O-N 3.42Å; Y299-L328 HydrophobicContact CD2-CD2 4.17Å; Y299-L328 HydrophobicContact CD2-CG 4.39Å; Y299-L328 HydrophobicContact CE2-CD2 3.71Å; Y299-L328 HydrophobicContact CE2-CG 4.25Å
300	P	98.8	Very high	98.8	Very high	78 Å²	78	25.1 Å²	25.1	51%	0.506	14%	0.143	S	C	.	.			trans	-67.7	105.6	172.1	-19.5	33	0	0	0	110.9	N140	N140-P300 HydrophobicContact CB-CB 4.39Å; N140-P300 CarbonylContact O-C 3.57Å; N140-P300 WeakPolarHBondContact O-CA 3.32Å; N140-P300 WeakPolarHBondContact O-CB 3.26Å
301	V	98.9	Very high	98.8	Very high	10 Å²	10	25.8 Å²	25.8	6%	0.061	15%	0.146	C	C	.	.			trans	-133.4	135.4	174.4	-173.2	0	0	0	0	108.6	N140 G291 L294 Y299 A333	N140-V301 CarbonylContact O-C 3.51Å; N140-V301 WeakPolarHBondContact O-CA 3.32Å; N140-V301 PolarHBondContact O-N 2.99Å; G291-V301 WeakPolarHBondContact CA-O 3.14Å; L294-V301 HydrophobicContact CD2-CB 4.47Å; L294-V301 HydrophobicContact CD2-CG1 3.9Å; L294-V301 HydrophobicContact CG-CG1 4.27Å; Y299-V301 HydrophobicContact CD1-CG2 3.96Å; Y299-V301 PolarHBondContact O-N 3.42Å; V301-A333 HydrophobicContact CG1-CB 4.22Å
302	S	98.9	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.4	171.3	56.9	0	0	0	0	110.5	M139 N140 T141 L290	M139-S302 VanDerWaalsContact CB-OG 3.27Å; M139-S302 WeakPolarHBondContact CB-OG 3.48Å; M139-S302 PolarHBondContact N-O 3.15Å; M139-S302 PolarHBondContact O-N 3.43Å; M139-S302 VanDerWaalsContact O-O 3.09Å; M139-S302 PolarHBondContact O-OG 3.42Å; N140-S302 PolarHBondContact N-OG 3.45Å; T141-S302 PolarHBondContact N-OG 3.03Å; T141-S302 WeakPolarHBondContact O-CB 3.22Å; T141-S302 PolarHBondContact O-OG 3.23Å; L290-S302 CarbonylContact O-C 3.49Å; L290-S302 WeakPolarHBondContact O-CA 3.29Å; L290-S302 WeakPolarHBondContact O-CB 3.45Å
303	A	98.9	Very high	98.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.1	-175.8	0	0	0	0	0	110.8	I127 V136 L289 L290 L294	I127-A303 HydrophobicContact CD1-CB 3.99Å; V136-A303 HydrophobicContact CG2-CB 3.72Å; L289-A303 WeakPolarHBondContact CA-O 3.46Å; L290-A303 HydrophobicContact CB-CB 4.37Å; L290-A303 PolarHBondContact N-O 3.1Å; L290-A303 PolarHBondContact O-N 3.38Å; L294-A303 HydrophobicContact CD2-CB 3.91Å
304	V	99	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	116.6	167.3	-175.7	0	0	0	0	107.6	V136 L137 A145 T148 L152 I287 L289 M311	V136-V304 CarbonylContact C-O 3.59Å; V136-V304 VanDerWaalsContact CA-O 3.3Å; V136-V304 WeakPolarHBondContact CA-O 3.31Å; L137-V304 HydrophobicContact CB-CB 4.42Å; L137-V304 PolarHBondContact N-O 3.46Å; L137-V304 PolarHBondContact O-N 2.91Å; A145-V304 HydrophobicContact CB-CG2 3.81Å; A145-V304 WeakPolarHBondContact O-CG2 3.33Å; T148-V304 HydrophobicContact CG2-CB 4.24Å; T148-V304 HydrophobicContact CG2-CG1 4.42Å; T148-V304 HydrophobicContact CG2-CG2 3.78Å; L152-V304 HydrophobicContact CD1-CG1 3.77Å; I287-V304 HydrophobicContact CG2-CG1 3.48Å; I287-V304 VanDerWaalsContact CG2-CG1 3.48Å; L289-V304 HydrophobicContact CD2-CB 4.41Å; L289-V304 HydrophobicContact CD2-CG1 3.98Å; L289-V304 HydrophobicContact CD2-CG2 4Å; V304-M311 VanDerWaalsContact O-CE 3.26Å; V304-M311 WeakPolarHBondContact O-CE 3.2Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.2	-178.6	-70	157.1	0	0	0	109.3	I127 T128 F131 Y133 V136 I287 V288 L290	I127-L305 HydrophobicContact CD1-CD1 4.47Å; I127-L305 HydrophobicContact CG1-CD1 4.44Å; I127-L305 HydrophobicContact CG1-CD2 4.33Å; I127-L305 HydrophobicContact CG2-CD2 4.39Å; T128-L305 HydrophobicContact CG2-CD2 4.3Å; F131-L305 HydrophobicContact CB-CD1 3.93Å; F131-L305 HydrophobicContact CD2-CD1 3.93Å; F131-L305 HydrophobicContact CG-CD1 4.03Å; Y133-L305 HydrophobicContact CD2-CB 3.79Å; Y133-L305 HydrophobicContact CD2-CD1 4.43Å; Y133-L305 HydrophobicContact CE2-CB 4.34Å; Y133-L305 HydrophobicContact CG-CB 3.9Å; V136-L305 HydrophobicContact CB-CD2 3.69Å; V136-L305 HydrophobicContact CG2-CD2 3.76Å; V136-L305 HydrophobicContact CG2-CG 4.15Å; I287-L305 CarbonylContact C-O 3.54Å; I287-L305 WeakPolarHBondContact CA-O 3.48Å; V288-L305 HydrophobicContact CB-CB 4.34Å; V288-L305 PolarHBondContact N-O 3.39Å; V288-L305 PolarHBondContact O-N 3.37Å; L290-L305 HydrophobicContact CD1-CD1 3.64Å; L290-L305 HydrophobicContact CG-CD1 4.37Å
306	C	98.9	Very high	98.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	172.4	170.1	61.3	0	0	0	0	111.7	K135 D286 I287 I310 M311	K135-C306 PolarHBondContact N-O 3.2Å; K135-C306 VanDerWaalsContact N-O 3.09Å; K135-C306 PolarHBondContact O-N 2.96Å; D286-C306 WeakPolarHBondContact O-CB 3.49Å; I287-C306 HydrophobicContact CB-CB 4.37Å; I287-C306 HydrophobicContact CG1-CB 3.93Å; I287-C306 HydrophobicContact CG2-CB 4.47Å; C306-I310 HydrophobicContact CB-CB 4.33Å; C306-I310 HydrophobicContact CB-CD1 4.46Å; C306-I310 HydrophobicContact CB-CG2 4.33Å; C306-M311 WeakPolarHBondContact SG-CE 3.23Å
307	D	98.9	Very high	98.7	Very high	38 Å²	38	44 Å²	44	20%	0.203	27%	0.267	C	S	.	.			trans	-82.3	163.9	178.9	-66.4	-28.7	0	0	0	112.6	Q134 R284 D309 I310 M311	Q134-D307 HydrophobicContact CG-CB 4.39Å; Q134-D307 WeakPolarHBondContact CG-OD1 3.36Å; Q134-D307 PolarHBondContact N-OD1 3.46Å; Q134-D307 VanDerWaalsContact N-OD1 3.15Å; R284-D307 IonicContact CZ-OD1 3.19Å; R284-D307 IonicContact CZ-OD2 3.68Å; R284-D307 VanDerWaalsContact CZ-OD2 3.28Å; R284-D307 IonicContact NH1-OD2 3.84Å; R284-D307 PolarHBondContact NH1-OD2 3.23Å; R284-D307 VanDerWaalsContact NH2-CG 3.3Å; R284-D307 IonicContact NH2-OD1 3.42Å; R284-D307 PolarHBondContact NH2-OD1 3.23Å; R284-D307 IonicContact NH2-OD2 2.75Å; R284-D307 PolarHBondContact NH2-OD2 2.92Å; D307-D309 VanDerWaalsContact C-N 3.34Å; D307-D309 PolarHBondContact O-N 2.86Å; D307-I310 PolarHBondContact O-N 3.47Å; D307-M311 PolarHBondContact O-N 3.38Å
308	D	98.9	Very high	98.7	Very high	43 Å²	43	45.6 Å²	45.6	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-41.9	-168.4	-81.5	8	0	0	0	113.3	Q134 K135 I310 M311 L312	Q134-D308 WeakPolarHBondContact CB-OD1 3.27Å; Q134-D308 VanDerWaalsContact OE1-CB 3.28Å; K135-D308 VanDerWaalsContact CD-OD1 3.28Å; K135-D308 WeakPolarHBondContact CD-OD1 3.44Å; K135-D308 WeakPolarHBondContact CE-OD1 3.35Å; K135-D308 WeakPolarHBondContact CG-OD1 3.49Å; K135-D308 IonicContact NZ-OD1 3.12Å; K135-D308 PolarHBondContact NZ-OD1 3.26Å; K135-D308 IonicContact NZ-OD2 3.86Å; K135-D308 PolarHBondContact NZ-OD2 3Å; D308-I310 PolarHBondContact O-N 3.27Å; D308-M311 PolarHBondContact O-N 3.44Å; D308-L312 HydrophobicContact CB-CD1 3.88Å; D308-L312 HydrophobicContact CB-CG 4.27Å; D308-L312 WeakPolarHBondContact O-CB 3.31Å; D308-L312 WeakPolarHBondContact O-CG 3.42Å; D308-L312 PolarHBondContact O-N 3Å
309	D	98.8	Very high	98.7	Very high	138 Å²	138	45.4 Å²	45.4	74%	0.738	26%	0.261	S	S	*	.	H	α-helix	trans	-61.1	-19.8	-179.9	-69.4	-16.7	0	0	0	112.8	D307 T313	D307-D309 VanDerWaalsContact C-N 3.34Å; D307-D309 PolarHBondContact O-N 2.86Å; D309-T313 WeakPolarHBondContact O-CG2 3.49Å
310	I	98.9	Very high	98.7	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-100	-55.5	174.4	-58.1	166.8	0	0	0	109.7	L152 L259 D286 I287 C306 D307 D308 L312 T313	L152-I310 HydrophobicContact CB-CG2 4.43Å; L259-I310 HydrophobicContact CD1-CD1 4.27Å; L259-I310 HydrophobicContact CD1-CG1 4.32Å; L259-I310 HydrophobicContact CD1-CG2 3.99Å; L259-I310 HydrophobicContact CD2-CD1 3.7Å; L259-I310 HydrophobicContact CD2-CG1 4.11Å; D286-I310 HydrophobicContact CB-CD1 3.85Å; I287-I310 HydrophobicContact CD1-CG2 3.87Å; I287-I310 HydrophobicContact CG1-CG2 4.19Å; C306-I310 HydrophobicContact CB-CB 4.33Å; C306-I310 HydrophobicContact CB-CD1 4.46Å; C306-I310 HydrophobicContact CB-CG2 4.33Å; D307-I310 PolarHBondContact O-N 3.47Å; D308-I310 PolarHBondContact O-N 3.27Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 3.29Å; I310-T313 WeakPolarHBondContact O-CB 3.34Å; I310-T313 VanDerWaalsContact O-CG2 3.31Å; I310-T313 WeakPolarHBondContact O-CG2 3.41Å; I310-T313 PolarHBondContact O-N 2.86Å; I310-T313 PolarHBondContact O-OG1 3.24Å
311	M	98.9	Very high	98.7	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.069	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-42.7	-171.9	-168.5	64.6	80.1	0	0	112	K135 L137 L152 V304 C306 D307 D308 T313 I314	K135-M311 HydrophobicContact CB-CB 4.06Å; K135-M311 HydrophobicContact CB-CE 4.26Å; K135-M311 HydrophobicContact CB-CG 3.74Å; K135-M311 HydrophobicContact CD-CB 4.38Å; K135-M311 HydrophobicContact CD-CG 4.17Å; L137-M311 HydrophobicContact CB-CE 4.05Å; L137-M311 HydrophobicContact CB-SD 3.86Å; L137-M311 HydrophobicContact CD1-SD 4.25Å; L152-M311 HydrophobicContact CD1-SD 4.03Å; L152-M311 HydrophobicContact CD2-SD 4.24Å; V304-M311 VanDerWaalsContact O-CE 3.26Å; V304-M311 WeakPolarHBondContact O-CE 3.2Å; C306-M311 WeakPolarHBondContact SG-CE 3.23Å; D307-M311 PolarHBondContact O-N 3.38Å; D308-M311 PolarHBondContact O-N 3.44Å; M311-T313 PolarHBondContact O-N 2.95Å; M311-I314 PolarHBondContact O-N 3.24Å
312	L	98.8	Very high	98.6	Very high	76 Å²	76	46.9 Å²	46.9	40%	0.398	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.8	-175.5	-60	-178.7	0	0	0	113.1	K135 D308 I310 I314 K315	K135-L312 HydrophobicContact CD-CD2 3.74Å; K135-L312 HydrophobicContact CD-CG 4.22Å; D308-L312 HydrophobicContact CB-CD1 3.88Å; D308-L312 HydrophobicContact CB-CG 4.27Å; D308-L312 WeakPolarHBondContact O-CB 3.31Å; D308-L312 WeakPolarHBondContact O-CG 3.42Å; D308-L312 PolarHBondContact O-N 3Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 3.29Å; L312-I314 PolarHBondContact O-N 2.86Å; L312-K315 WeakPolarHBondContact O-CD 3.41Å; L312-K315 WeakPolarHBondContact O-CE 3.24Å; L312-K315 PolarHBondContact O-NZ 2.85Å
313	T	98.9	Very high	98.6	Very high	12 Å²	12	52.3 Å²	52.3	7%	0.074	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.2	170.8	66	0	0	0	0	112.3	R155 W156 V160 D309 I310 M311	R155-T313 WeakPolarHBondContact CG-O 3.32Å; R155-T313 PolarHBondContact NE-O 3.25Å; R155-T313 VanDerWaalsContact NE-O 3.14Å; W156-T313 HydrophobicContact CB-CG2 4.12Å; V160-T313 HydrophobicContact CG2-CG2 3.89Å; D309-T313 WeakPolarHBondContact O-CG2 3.49Å; I310-T313 WeakPolarHBondContact O-CB 3.34Å; I310-T313 VanDerWaalsContact O-CG2 3.31Å; I310-T313 WeakPolarHBondContact O-CG2 3.41Å; I310-T313 PolarHBondContact O-N 2.86Å; I310-T313 PolarHBondContact O-OG1 3.24Å; M311-T313 PolarHBondContact O-N 2.95Å
314	I	98.5	Very high	98.6	Very high	28 Å²	28	52.4 Å²	52.4	14%	0.144	31%	0.308	C	S	.	.	S	Bend	trans	-83.4	127.2	166.3	-69.4	178.7	0	0	0	109	L152 M311 L312 E318 H319	L152-I314 HydrophobicContact CD2-CD1 3.55Å; L152-I314 HydrophobicContact CD2-CG1 3.82Å; L152-I314 HydrophobicContact CG-CD1 3.75Å; L152-I314 HydrophobicContact CG-CG1 4.48Å; M311-I314 PolarHBondContact O-N 3.24Å; L312-I314 PolarHBondContact O-N 2.86Å; I314-E318 HydrophobicContact CG2-CB 4.29Å; I314-H319 HydrophobicContact CD1-CB 4.14Å; I314-H319 HydrophobicContact CG2-CB 3.78Å
315	K	98.6	Very high	98.6	Very high	111 Å²	111	52.7 Å²	52.7	48%	0.483	31%	0.312	S	S	.	.			trans	-104.7	164.2	179.3	-53.4	-55.3	-176.4	-176.3	0	111.5	L312 G317 E318	L312-K315 WeakPolarHBondContact O-CD 3.41Å; L312-K315 WeakPolarHBondContact O-CE 3.24Å; L312-K315 PolarHBondContact O-NZ 2.85Å; K315-G317 PolarHBondContact O-N 3.19Å; K315-E318 HydrophobicContact CB-CG 4.25Å; K315-E318 PolarHBondContact N-OE2 3.4Å; K315-E318 WeakPolarHBondContact O-CB 3.44Å; K315-E318 PolarHBondContact O-N 3.45Å; K315-E318 VanDerWaalsContact O-N 3.07Å
316	P	98.4	Very high	98.6	Very high	136 Å²	136	53.1 Å²	53.1	88%	0.883	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	128.2	175.6	-28.5	36.4	0	0	0	112
317	G	97.4	Very high	98.6	Very high	84 Å²	84	53.1 Å²	53.1	87%	0.866	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-9.9	-179	0	0	0	0	0	116.1	K315	K315-G317 PolarHBondContact O-N 3.19Å
318	E	98.4	Very high	98.6	Very high	78 Å²	78	52 Å²	52	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-90.6	-15.1	-175.9	-58.5	-174.4	145.7	0	0	114	K151 R155 I314 K315	K151-E318 PolarHBondContact NZ-O 2.88Å; R155-E318 IonicContact CZ-OE1 2.74Å; R155-E318 IonicContact CZ-OE2 2.67Å; R155-E318 IonicContact NE-OE2 3.8Å; R155-E318 IonicContact NH1-OE1 2.97Å; R155-E318 VanDerWaalsContact NH2-CD 3.27Å; R155-E318 IonicContact NH2-OE1 3.45Å; R155-E318 PolarHBondContact NH2-OE1 2.58Å; R155-E318 IonicContact NH2-OE2 2.98Å; R155-E318 PolarHBondContact NH2-OE2 3.05Å; R155-E318 VanDerWaalsContact NH2-OE2 3.08Å; I314-E318 HydrophobicContact CG2-CB 4.29Å; K315-E318 HydrophobicContact CB-CG 4.25Å; K315-E318 PolarHBondContact N-OE2 3.4Å; K315-E318 WeakPolarHBondContact O-CB 3.44Å; K315-E318 PolarHBondContact O-N 3.45Å; K315-E318 VanDerWaalsContact O-N 3.07Å
319	H	98.8	Very high	98.6	Very high	41 Å²	41	50 Å²	50	19%	0.19	30%	0.298	C	S	.	.	S	Bend	trans	-153	151	175.1	-172.1	90.7	0	0	0	109.8	M139 T148 K151 I314	M139-H319 WeakPolarHBondContact CE-NE2 3.47Å; M139-H319 PolarHBondContact SD-NE2 3.29Å; M139-H319 VanDerWaalsContact SD-NE2 3.41Å; T148-H319 PolarHBondContact OG1-CE1 3.22Å; T148-H319 PolarHBondContact OG1-NE2 3.32Å; T148-H319 VanDerWaalsContact OG1-NE2 3.09Å; K151-H319 WeakPolarHBondContact CE-ND1 3.45Å; K151-H319 PolarHBondContact NZ-ND1 3.44Å; I314-H319 HydrophobicContact CD1-CB 4.14Å; I314-H319 HydrophobicContact CG2-CB 3.78Å
320	G	97.4	Very high	98.6	Very high	55 Å²	55	43.6 Å²	43.6	57%	0.567	26%	0.264	S	S	*	.			trans	-176.7	167.7	177.1	0	0	0	0	0	112.7
321	S	98.5	Very high	98.6	Very high	24 Å²	24	45.3 Å²	45.3	17%	0.168	27%	0.269	C	S	.	.			trans	-149	142.1	174	-179.4	0	0	0	0	108.8	N140 G324	N140-S321 PolarHBondContact ND2-OG 3.3Å; S321-G324 PolarHBondContact OG-N 2.93Å
322	T	98.6	Very high	98.6	Very high	94 Å²	94	44.7 Å²	44.7	58%	0.577	27%	0.266	S	S	*	.	S	Bend	trans	-61.5	-45.6	179.9	-57.5	0	0	0	0	111.6	L110	L110-T322 WeakPolarHBondContact CD1-O 3.28Å
323	Y	98.8	Very high	98.6	Very high	114 Å²	114	41 Å²	41	45%	0.447	25%	0.247	S	C	.	.	S	Bend	trans	-100.5	-14.3	-176	-74.2	-94.1	0	0	0	113.4	L110 N140 G325 N326	L110-Y323 HydrophobicContact CD1-CD1 4.02Å; L110-Y323 HydrophobicContact CD1-CE1 4.37Å; L110-Y323 HydrophobicContact CD1-CG 4.43Å; L110-Y323 HydrophobicContact CD2-CD1 4.19Å; L110-Y323 HydrophobicContact CD2-CE1 3.72Å; N140-Y323 WeakPolarHBondContact OD1-CB 3.41Å; N140-Y323 PolarHBondContact OD1-O 2.6Å; Y323-G325 PolarHBondContact O-N 3.19Å; Y323-G325 VanDerWaalsContact O-N 3.13Å; Y323-N326 VanDerWaalsContact O-CB 3.3Å; Y323-N326 WeakPolarHBondContact O-CB 3.33Å; Y323-N326 PolarHBondContact O-N 3.03Å; Y323-N326 PolarHBondContact O-ND2 2.6Å
324	G	98.8	Very high	98.6	Very high	1 Å²	1	41 Å²	41	1%	0.01	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	117.7	179.9	0	0	0	0	0	111.3	R113 P138 N140 S321	R113-G324 VanDerWaalsContact CD-O 3.3Å; R113-G324 WeakPolarHBondContact CD-O 3.49Å; P138-G324 WeakPolarHBondContact O-CA 3.28Å; N140-G324 PolarHBondContact OD1-N 2.81Å; N140-G324 VanDerWaalsContact OD1-N 3.14Å; S321-G324 PolarHBondContact OG-N 2.93Å
325	G	98.7	Very high	98.6	Very high	7 Å²	7	40 Å²	40	7%	0.072	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	20	-177.6	0	0	0	0	0	115.1	Y323	Y323-G325 PolarHBondContact O-N 3.19Å; Y323-G325 VanDerWaalsContact O-N 3.13Å
326	N	98.9	Very high	98.7	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.043	22%	0.219	C	C	.	.			trans	-64.3	147.6	173.3	78.1	81.9	0	0	0	111.7	T109 L110 Y323 L328 G329 C330	T109-N326 WeakPolarHBondContact O-CB 3.32Å; T109-N326 PolarHBondContact O-OD1 3.35Å; L110-N326 HydrophobicContact CD1-CB 3.72Å; Y323-N326 VanDerWaalsContact O-CB 3.3Å; Y323-N326 WeakPolarHBondContact O-CB 3.33Å; Y323-N326 PolarHBondContact O-N 3.03Å; Y323-N326 PolarHBondContact O-ND2 2.6Å; N326-L328 VanDerWaalsContact C-N 3.3Å; N326-L328 PolarHBondContact O-N 2.85Å; N326-L328 WeakPolarHBondContact OD1-CB 3.44Å; N326-L328 PolarHBondContact OD1-N 3.46Å; N326-G329 PolarHBondContact O-N 3.43Å; N326-G329 PolarHBondContact OD1-N 3.05Å; N326-C330 PolarHBondContact O-N 3.04Å; N326-C330 PolarHBondContact O-SG 3.44Å
327	P	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-30.5	-174.1	22.3	-33.3	0	0	0	114	L108 T109 V119 R331	L108-P327 HydrophobicContact CD2-CG 4.36Å; L108-P327 HydrophobicContact CG-CG 4.05Å; T109-P327 WeakPolarHBondContact O-CD 3.39Å; V119-P327 HydrophobicContact CB-CB 3.79Å; V119-P327 HydrophobicContact CG1-CB 4.33Å; V119-P327 HydrophobicContact CG2-CB 3.73Å; P327-R331 PolarHBondContact O-N 3.14Å; P327-R331 VanDerWaalsContact O-N 3.1Å
328	L	98.9	Very high	98.8	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.073	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-51	177.3	-175.5	62.2	0	0	0	111.3	L101 Q104 V105 T109 Y299 N326 C330 R331 V332	L101-L328 HydrophobicContact CG-CD1 4.16Å; Q104-L328 HydrophobicContact CB-CD1 3.9Å; Q104-L328 HydrophobicContact CG-CD1 4.08Å; V105-L328 HydrophobicContact CB-CD1 4.15Å; T109-L328 HydrophobicContact CG2-CB 4.46Å; T109-L328 HydrophobicContact CG2-CD2 4.06Å; Y299-L328 HydrophobicContact CD2-CD2 4.17Å; Y299-L328 HydrophobicContact CD2-CG 4.39Å; Y299-L328 HydrophobicContact CE2-CD2 3.71Å; Y299-L328 HydrophobicContact CE2-CG 4.25Å; N326-L328 VanDerWaalsContact C-N 3.3Å; N326-L328 PolarHBondContact O-N 2.85Å; N326-L328 WeakPolarHBondContact OD1-CB 3.44Å; N326-L328 PolarHBondContact OD1-N 3.46Å; L328-C330 VanDerWaalsContact C-N 3.31Å; L328-C330 PolarHBondContact O-N 2.58Å; L328-R331 PolarHBondContact O-N 2.89Å; L328-V332 VanDerWaalsContact O-CG2 3.32Å; L328-V332 WeakPolarHBondContact O-CG2 3.24Å; L328-V332 PolarHBondContact O-N 3.45Å; L328-V332 VanDerWaalsContact O-N 3.13Å
329	G	98.9	Very high	98.8	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-41.1	176.2	0	0	0	0	0	112.3	N326 V332 A333	N326-G329 PolarHBondContact O-N 3.43Å; N326-G329 PolarHBondContact OD1-N 3.05Å; G329-V332 PolarHBondContact O-N 3.03Å; G329-A333 WeakPolarHBondContact O-CB 3.28Å; G329-A333 PolarHBondContact O-N 2.91Å
330	C	98.9	Very high	98.8	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.02	12%	0.123	C	C	.	.	H	α-helix	trans	-62.8	-45	178	-66.9	0	0	0	0	112.6	V119 Y123 N326 L328 A333 I334	V119-C330 HydrophobicContact CG1-CB 3.55Å; Y123-C330 HydrophobicContact CD1-CB 4.4Å; Y123-C330 HydrophobicContact CG-CB 4.07Å; N326-C330 PolarHBondContact O-N 3.04Å; N326-C330 PolarHBondContact O-SG 3.44Å; L328-C330 VanDerWaalsContact C-N 3.31Å; L328-C330 PolarHBondContact O-N 2.58Å; C330-A333 PolarHBondContact O-N 3.46Å; C330-I334 WeakPolarHBondContact O-CG1 3.49Å; C330-I334 PolarHBondContact O-N 2.97Å
331	R	98.9	Very high	98.9	Very high	50 Å²	50	24.5 Å²	24.5	19%	0.189	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-42.5	176.6	-76.1	-63	173	-134.9	5	112.9	Q104 V119 E122 P327 L328 A333 A335	Q104-R331 HydrophobicContact CB-CB 4.02Å; Q104-R331 HydrophobicContact CB-CG 3.84Å; Q104-R331 HydrophobicContact CG-CB 4.05Å; Q104-R331 HydrophobicContact CG-CG 3.59Å; Q104-R331 VanDerWaalsContact OE1-CG 3.27Å; V119-R331 HydrophobicContact CG1-CG 3.81Å; V119-R331 HydrophobicContact CG2-CG 4.49Å; E122-R331 IonicContact OE1-CZ 3.66Å; E122-R331 IonicContact OE1-NH1 2.81Å; E122-R331 PolarHBondContact OE1-NH1 3.18Å; E122-R331 IonicContact OE1-NH2 2.67Å; E122-R331 IonicContact OE2-CZ 3.07Å; E122-R331 VanDerWaalsContact OE2-CZ 3.29Å; E122-R331 IonicContact OE2-NH1 2.6Å; E122-R331 PolarHBondContact OE2-NH1 2.94Å; E122-R331 IonicContact OE2-NH2 2.74Å; E122-R331 PolarHBondContact OE2-NH2 3.18Å; P327-R331 PolarHBondContact O-N 3.14Å; P327-R331 VanDerWaalsContact O-N 3.1Å; L328-R331 PolarHBondContact O-N 2.89Å; R331-A333 VanDerWaalsContact C-N 3.3Å; R331-A333 PolarHBondContact O-N 3.38Å; R331-A335 PolarHBondContact O-N 3.38Å; R331-A335 VanDerWaalsContact O-N 3.16Å
332	V	98.9	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-43.7	175.8	171.1	0	0	0	0	110.2	I97 L101 S295 L298 L328 G329 A335 A336	I97-V332 HydrophobicContact CG2-CG1 3.74Å; L101-V332 HydrophobicContact CB-CG2 3.78Å; L101-V332 HydrophobicContact CD1-CG2 3.96Å; L101-V332 HydrophobicContact CG-CG2 4.17Å; S295-V332 WeakPolarHBondContact O-CG1 3.36Å; L298-V332 HydrophobicContact CB-CG1 3.96Å; L328-V332 VanDerWaalsContact O-CG2 3.32Å; L328-V332 WeakPolarHBondContact O-CG2 3.24Å; L328-V332 PolarHBondContact O-N 3.45Å; L328-V332 VanDerWaalsContact O-N 3.13Å; G329-V332 PolarHBondContact O-N 3.03Å; V332-A335 PolarHBondContact O-N 3.42Å; V332-A336 VanDerWaalsContact O-CB 3.26Å; V332-A336 WeakPolarHBondContact O-CB 3.41Å; V332-A336 PolarHBondContact O-N 3.17Å
333	A	98.9	Very high	98.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-42.5	-178.8	0	0	0	0	0	113.5	Y123 L294 V301 G329 C330 R331 A335 A336 L337	Y123-A333 HydrophobicContact CD2-CB 4.06Å; Y123-A333 HydrophobicContact CE2-CB 3.68Å; L294-A333 HydrophobicContact CD1-CB 4.43Å; L294-A333 HydrophobicContact CG-CB 4.3Å; L294-A333 WeakPolarHBondContact O-CA 3.23Å; L294-A333 WeakPolarHBondContact O-CB 3.47Å; V301-A333 HydrophobicContact CG1-CB 4.22Å; G329-A333 WeakPolarHBondContact O-CB 3.28Å; G329-A333 PolarHBondContact O-N 2.91Å; C330-A333 PolarHBondContact O-N 3.46Å; R331-A333 VanDerWaalsContact C-N 3.3Å; R331-A333 PolarHBondContact O-N 3.38Å; A333-A335 PolarHBondContact O-N 2.88Å; A333-A336 PolarHBondContact O-N 3.43Å; A333-L337 WeakPolarHBondContact O-CG 3.47Å; A333-L337 PolarHBondContact O-N 2.75Å
334	I	98.9	Very high	98.9	Very high	12 Å²	12	27 Å²	27	6%	0.062	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-53.4	173.3	-66	165.7	0	0	0	109.7	E122 Y123 C330 A336 L337 E338	E122-I334 HydrophobicContact CG-CD1 4.49Å; Y123-I334 HydrophobicContact CD2-CG1 4.02Å; C330-I334 WeakPolarHBondContact O-CG1 3.49Å; C330-I334 PolarHBondContact O-N 2.97Å; I334-A336 VanDerWaalsContact C-N 3.3Å; I334-A336 PolarHBondContact O-N 3.21Å; I334-L337 PolarHBondContact O-N 3.3Å; I334-E338 HydrophobicContact CG2-CG 4.35Å; I334-E338 WeakPolarHBondContact O-CG 3.37Å; I334-E338 PolarHBondContact O-N 3.15Å
335	A	98.9	Very high	98.9	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-38.9	-179.2	0	0	0	0	0	112.4	A100 R331 V332 A333 E338 V339	A100-A335 HydrophobicContact CB-CB 3.56Å; R331-A335 PolarHBondContact O-N 3.38Å; R331-A335 VanDerWaalsContact O-N 3.16Å; V332-A335 PolarHBondContact O-N 3.42Å; A333-A335 PolarHBondContact O-N 2.88Å; A335-E338 PolarHBondContact O-N 3.49Å; A335-V339 VanDerWaalsContact O-CG2 3.31Å; A335-V339 WeakPolarHBondContact O-CG2 3.49Å; A335-V339 PolarHBondContact O-N 2.96Å
336	A	98.9	Very high	98.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-40.5	177.8	0	0	0	0	0	112.7	Q90 I97 L294 V332 A333 I334 L340	Q90-A336 PolarHBondContact NE2-O 2.91Å; I97-A336 HydrophobicContact CD1-CB 3.88Å; I97-A336 HydrophobicContact CG1-CB 4.44Å; I97-A336 HydrophobicContact CG2-CB 4.31Å; L294-A336 WeakPolarHBondContact O-CB 3.3Å; V332-A336 VanDerWaalsContact O-CB 3.26Å; V332-A336 WeakPolarHBondContact O-CB 3.41Å; V332-A336 PolarHBondContact O-N 3.17Å; A333-A336 PolarHBondContact O-N 3.43Å; I334-A336 VanDerWaalsContact C-N 3.3Å; I334-A336 PolarHBondContact O-N 3.21Å; A336-L340 WeakPolarHBondContact O-CG 3.46Å; A336-L340 PolarHBondContact O-N 2.87Å
337	L	98.9	Very high	98.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.8	-40.2	174.8	-69.8	169.7	0	0	0	111.9	Y126 I127 L130 F131 L269 W275 L294 A333 I334 V339 L340 K341	Y126-L337 HydrophobicContact CD1-CD1 4.03Å; Y126-L337 HydrophobicContact CE1-CB 3.71Å; Y126-L337 HydrophobicContact CE1-CD1 3.88Å; Y126-L337 HydrophobicContact CE1-CG 4.46Å; I127-L337 HydrophobicContact CB-CD1 4.43Å; I127-L337 HydrophobicContact CD1-CD1 4.33Å; I127-L337 HydrophobicContact CG1-CD1 4.21Å; L130-L337 HydrophobicContact CD2-CB 4.33Å; L130-L337 HydrophobicContact CD2-CD1 4.34Å; L130-L337 HydrophobicContact CD2-CD2 4.15Å; F131-L337 HydrophobicContact CE2-CD2 4.18Å; F131-L337 HydrophobicContact CZ-CD2 4.3Å; L269-L337 HydrophobicContact CD2-CD2 3.78Å; W275-L337 HydrophobicContact CZ3-CD2 4.39Å; L294-L337 HydrophobicContact CD1-CD1 3.95Å; L294-L337 HydrophobicContact CD1-CD2 3.9Å; L294-L337 HydrophobicContact CD1-CG 3.99Å; A333-L337 WeakPolarHBondContact O-CG 3.47Å; A333-L337 PolarHBondContact O-N 2.75Å; I334-L337 PolarHBondContact O-N 3.3Å; L337-V339 VanDerWaalsContact C-N 3.33Å; L337-V339 PolarHBondContact O-N 2.85Å; L337-L340 HydrophobicContact CD2-CD1 4.33Å; L337-L340 WeakPolarHBondContact O-CB 3.25Å; L337-L340 PolarHBondContact O-N 3.04Å; L337-K341 PolarHBondContact O-N 3.02Å
338	E	98.9	Very high	98.9	Very high	55 Å²	55	34.6 Å²	34.6	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-61.5	-40.3	175.9	-71.6	175.5	169.3	0	0	112	K96 Y126 I334 A335 L340 K341 E342	K96-E338 WeakPolarHBondContact CE-OE2 3.42Å; K96-E338 IonicContact NZ-OE2 2.92Å; K96-E338 PolarHBondContact NZ-OE2 3.13Å; Y126-E338 HydrophobicContact CE2-CG 4.29Å; Y126-E338 VanDerWaalsContact OH-CG 3.31Å; Y126-E338 WeakPolarHBondContact OH-CG 3.32Å; I334-E338 HydrophobicContact CG2-CG 4.35Å; I334-E338 WeakPolarHBondContact O-CG 3.37Å; I334-E338 PolarHBondContact O-N 3.15Å; A335-E338 PolarHBondContact O-N 3.49Å; E338-L340 VanDerWaalsContact C-N 3.34Å; E338-L340 PolarHBondContact O-N 3.33Å; E338-K341 PolarHBondContact O-N 3.02Å; E338-K341 VanDerWaalsContact O-N 3.16Å; E338-E342 WeakPolarHBondContact O-CB 3.11Å; E338-E342 VanDerWaalsContact O-CG 3.3Å; E338-E342 WeakPolarHBondContact O-CG 3.29Å; E338-E342 PolarHBondContact O-N 3.03Å
339	V	98.9	Very high	98.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.7	-45.8	175.7	170.1	0	0	0	0	111.3	Q90 H94 K96 I97 A335 L337 K341 E342 E343 L345	Q90-V339 HydrophobicContact CB-CG1 3.88Å; Q90-V339 HydrophobicContact CG-CB 4.03Å; Q90-V339 HydrophobicContact CG-CG1 3.67Å; H94-V339 VanDerWaalsContact CE1-CG2 3.47Å; H94-V339 WeakPolarHBondContact CE1-CG2 3.37Å; H94-V339 WeakPolarHBondContact ND1-CG2 3.32Å; K96-V339 HydrophobicContact CB-CG2 4.04Å; K96-V339 HydrophobicContact CD-CG2 3.87Å; K96-V339 HydrophobicContact CG-CG2 4.35Å; I97-V339 HydrophobicContact CD1-CG2 4.43Å; I97-V339 HydrophobicContact CG1-CG2 4.07Å; A335-V339 VanDerWaalsContact O-CG2 3.31Å; A335-V339 WeakPolarHBondContact O-CG2 3.49Å; A335-V339 PolarHBondContact O-N 2.96Å; L337-V339 VanDerWaalsContact C-N 3.33Å; L337-V339 PolarHBondContact O-N 2.85Å; V339-K341 PolarHBondContact O-N 3.13Å; V339-E342 PolarHBondContact O-N 2.75Å; V339-E343 HydrophobicContact CG1-CG 4.44Å; V339-E343 WeakPolarHBondContact O-CB 3.37Å; V339-E343 PolarHBondContact O-N 3.42Å; V339-L345 HydrophobicContact CG1-CD1 4.19Å
340	L	98.9	Very high	98.9	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-56.6	-39.5	177.6	-63.4	166.6	0	0	0	111.7	Q90 L269 A270 W275 A336 L337 E338 L345 L418	Q90-L340 HydrophobicContact CG-CD2 4.09Å; Q90-L340 HydrophobicContact CG-CG 4.25Å; L269-L340 HydrophobicContact CB-CD1 3.79Å; L269-L340 HydrophobicContact CD2-CD1 4.33Å; A270-L340 HydrophobicContact CB-CD2 4.1Å; W275-L340 HydrophobicContact CH2-CB 3.74Å; W275-L340 HydrophobicContact CZ3-CB 3.91Å; W275-L340 HydrophobicContact CZ3-CD1 4.03Å; A336-L340 WeakPolarHBondContact O-CG 3.46Å; A336-L340 PolarHBondContact O-N 2.87Å; L337-L340 HydrophobicContact CD2-CD1 4.33Å; L337-L340 WeakPolarHBondContact O-CB 3.25Å; L337-L340 PolarHBondContact O-N 3.04Å; E338-L340 VanDerWaalsContact C-N 3.34Å; E338-L340 PolarHBondContact O-N 3.33Å; L340-L345 HydrophobicContact CD2-CB 4.31Å; L340-L345 HydrophobicContact CD2-CD1 3.94Å; L340-L345 PolarHBondContact O-N 3.22Å; L340-L345 VanDerWaalsContact O-N 3.1Å; L340-L418 HydrophobicContact CD2-CD1 4.46Å
341	K	98.9	Very high	98.9	Very high	121 Å²	121	41 Å²	41	53%	0.526	19%	0.193	S	C	.	.	H	α-helix	trans	-75.6	-51.6	179.9	-172.3	176.6	178.6	178.4	0	112.9	W275 L337 E338 V339 E343 N344	W275-K341 HydrophobicContact CH2-CB 3.96Å; W275-K341 HydrophobicContact CZ2-CB 3.76Å; W275-K341 HydrophobicContact CZ2-CG 4.19Å; L337-K341 PolarHBondContact O-N 3.02Å; E338-K341 PolarHBondContact O-N 3.02Å; E338-K341 VanDerWaalsContact O-N 3.16Å; V339-K341 PolarHBondContact O-N 3.13Å; K341-E343 VanDerWaalsContact C-N 3.32Å; K341-E343 PolarHBondContact O-N 2.78Å; K341-N344 PolarHBondContact O-N 3.45Å
342	E	98.9	Very high	98.9	Very high	114 Å²	114	38.6 Å²	38.6	53%	0.533	18%	0.184	S	C	.	.	H	α-helix	trans	-65.8	-35.9	-174.3	-73.1	170.4	-178.5	0	0	112	K96 E338 V339 N344	K96-E342 IonicContact NZ-OE1 3.97Å; K96-E342 PolarHBondContact NZ-OE1 2.77Å; K96-E342 IonicContact NZ-OE2 2.73Å; K96-E342 PolarHBondContact NZ-OE2 2.81Å; E338-E342 WeakPolarHBondContact O-CB 3.11Å; E338-E342 VanDerWaalsContact O-CG 3.3Å; E338-E342 WeakPolarHBondContact O-CG 3.29Å; E338-E342 PolarHBondContact O-N 3.03Å; V339-E342 PolarHBondContact O-N 2.75Å; E342-N344 PolarHBondContact O-ND2 2.95Å
343	E	98.8	Very high	98.9	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.4	-179.4	-60.8	-176.4	-161.9	0	0	113.2	H94 V339 K341 L345	H94-E343 IonicContact CE1-OE1 3.85Å; H94-E343 PolarHBondContact CE1-OE1 2.95Å; H94-E343 IonicContact NE2-OE1 2.58Å; H94-E343 PolarHBondContact NE2-OE1 2.92Å; V339-E343 HydrophobicContact CG1-CG 4.44Å; V339-E343 WeakPolarHBondContact O-CB 3.37Å; V339-E343 PolarHBondContact O-N 3.42Å; K341-E343 VanDerWaalsContact C-N 3.32Å; K341-E343 PolarHBondContact O-N 2.78Å; E343-L345 VanDerWaalsContact C-N 3.28Å; E343-L345 HydrophobicContact CB-CD1 4.42Å; E343-L345 HydrophobicContact CB-CD2 3.63Å; E343-L345 HydrophobicContact CB-CG 3.82Å; E343-L345 PolarHBondContact O-N 3.3Å
344	N	98.8	Very high	98.9	Very high	90 Å²	90	42 Å²	42	48%	0.481	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	48.4	179.1	-57.5	-80.5	0	0	0	112	K341 E342 A346 E347 N348	K341-N344 PolarHBondContact O-N 3.45Å; E342-N344 PolarHBondContact O-ND2 2.95Å; N344-A346 PolarHBondContact O-N 3.27Å; N344-E347 VanDerWaalsContact CA-OE2 3.31Å; N344-E347 WeakPolarHBondContact CA-OE2 3.37Å; N344-E347 HydrophobicContact CB-CB 4.41Å; N344-E347 HydrophobicContact CB-CG 4.49Å; N344-E347 WeakPolarHBondContact CB-OE2 3.4Å; N344-E347 PolarHBondContact O-N 3.49Å; N344-N348 PolarHBondContact O-N 3.43Å; N344-N348 VanDerWaalsContact O-N 3.1Å
345	L	98.9	Very high	98.9	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-71.7	-19.7	-170	-63.8	-172.4	0	0	0	112.7	A270 V339 L340 E343 A349 L418 V419	A270-L345 HydrophobicContact CB-CB 4.19Å; V339-L345 HydrophobicContact CG1-CD1 4.19Å; L340-L345 HydrophobicContact CD2-CB 4.31Å; L340-L345 HydrophobicContact CD2-CD1 3.94Å; L340-L345 PolarHBondContact O-N 3.22Å; L340-L345 VanDerWaalsContact O-N 3.1Å; E343-L345 VanDerWaalsContact C-N 3.28Å; E343-L345 HydrophobicContact CB-CD1 4.42Å; E343-L345 HydrophobicContact CB-CD2 3.63Å; E343-L345 HydrophobicContact CB-CG 3.82Å; E343-L345 PolarHBondContact O-N 3.3Å; L345-A349 VanDerWaalsContact O-CB 3.23Å; L345-A349 WeakPolarHBondContact O-CB 3.34Å; L345-A349 PolarHBondContact O-N 2.99Å; L345-L418 HydrophobicContact CB-CB 4Å; L345-L418 HydrophobicContact CB-CD1 4.2Å; L345-L418 HydrophobicContact CD1-CB 4.29Å; L345-L418 HydrophobicContact CD2-CB 4.44Å; L345-L418 HydrophobicContact CG-CB 4.47Å; L345-V419 HydrophobicContact CD1-CG1 4.02Å; L345-V419 HydrophobicContact CD2-CG1 4.1Å
346	A	98.9	Very high	98.9	Very high	9 Å²	9	42.3 Å²	42.3	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-69.9	-46.4	173.5	0	0	0	0	0	110.6	A270 G273 N344 N348 A349 E350	A270-A346 HydrophobicContact CB-CB 3.86Å; G273-A346 CarbonylContact C-O 3.46Å; G273-A346 VanDerWaalsContact CA-O 3.28Å; G273-A346 WeakPolarHBondContact CA-O 3.42Å; N344-A346 PolarHBondContact O-N 3.27Å; A346-N348 VanDerWaalsContact C-N 3.35Å; A346-N348 PolarHBondContact O-N 2.91Å; A346-A349 PolarHBondContact O-N 3.32Å; A346-E350 PolarHBondContact O-N 2.9Å
347	E	98.9	Very high	98.9	Very high	118 Å²	118	44.3 Å²	44.3	55%	0.551	21%	0.21	S	C	*	.	H	α-helix	trans	-62.5	-43.1	177.2	-65.5	78	-178.6	0	0	111	N344 E350 K351	N344-E347 VanDerWaalsContact CA-OE2 3.31Å; N344-E347 WeakPolarHBondContact CA-OE2 3.37Å; N344-E347 HydrophobicContact CB-CB 4.41Å; N344-E347 HydrophobicContact CB-CG 4.49Å; N344-E347 WeakPolarHBondContact CB-OE2 3.4Å; N344-E347 PolarHBondContact O-N 3.49Å; E347-E350 PolarHBondContact O-N 3.49Å; E347-K351 WeakPolarHBondContact O-CB 3.37Å; E347-K351 PolarHBondContact O-N 2.89Å; E347-K351 VanDerWaalsContact O-N 3.07Å
348	N	98.9	Very high	98.9	Very high	44 Å²	44	48.1 Å²	48.1	24%	0.235	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-45.8	175.6	-165.2	49.2	0	0	0	111.4	N344 A346 E350 K351 L352 L418 I420	N344-N348 PolarHBondContact O-N 3.43Å; N344-N348 VanDerWaalsContact O-N 3.1Å; A346-N348 VanDerWaalsContact C-N 3.35Å; A346-N348 PolarHBondContact O-N 2.91Å; N348-E350 PolarHBondContact O-N 3.41Å; N348-K351 PolarHBondContact O-N 3.01Å; N348-L352 WeakPolarHBondContact ND2-CD1 2.93Å; N348-L352 VanDerWaalsContact O-CB 3.27Å; N348-L352 WeakPolarHBondContact O-CB 3.45Å; N348-L352 WeakPolarHBondContact O-CG 3.49Å; N348-L352 PolarHBondContact O-N 3.5Å; N348-L352 WeakPolarHBondContact OD1-CD1 3.44Å; N348-L418 PolarHBondContact ND2-O 3.09Å; N348-I420 PolarHBondContact ND2-O 2.95Å
349	A	98.9	Very high	98.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-40.8	179.5	0	0	0	0	0	112.8	A270 L345 A346 G353 G375 L376 L418	A270-A349 WeakPolarHBondContact O-CB 3.03Å; L345-A349 VanDerWaalsContact O-CB 3.23Å; L345-A349 WeakPolarHBondContact O-CB 3.34Å; L345-A349 PolarHBondContact O-N 2.99Å; A346-A349 PolarHBondContact O-N 3.32Å; A349-G353 WeakPolarHBondContact O-CA 3.09Å; A349-G353 PolarHBondContact O-N 3.27Å; A349-G375 CarbonylContact O-C 3.36Å; A349-G375 WeakPolarHBondContact O-CA 3.3Å; A349-L376 HydrophobicContact CB-CB 4.4Å; A349-L376 HydrophobicContact CB-CD1 4.27Å; A349-L376 HydrophobicContact CB-CG 4.24Å; A349-L418 HydrophobicContact CB-CD1 4.48Å; A349-L418 HydrophobicContact CB-CD2 3.92Å
350	E	98.9	Very high	98.9	Very high	42 Å²	42	47.6 Å²	47.6	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-57.1	173.8	177.1	70.4	-124.9	0	0	110.7	R274 Y280 A346 E347 N348 L352 G353 I354	R274-E350 IonicContact CZ-OE2 2.98Å; R274-E350 IonicContact NH1-OE2 2.72Å; R274-E350 PolarHBondContact NH1-OE2 3.41Å; R274-E350 IonicContact NH2-OE2 2.9Å; Y280-E350 PolarHBondContact OH-OE2 3.28Å; A346-E350 PolarHBondContact O-N 2.9Å; E347-E350 PolarHBondContact O-N 3.49Å; N348-E350 PolarHBondContact O-N 3.41Å; E350-L352 PolarHBondContact O-N 3.17Å; E350-G353 PolarHBondContact O-N 3.05Å; E350-I354 HydrophobicContact CG-CD1 4.43Å; E350-I354 WeakPolarHBondContact O-CG1 3.49Å; E350-I354 PolarHBondContact O-N 3.06Å
351	K	98.9	Very high	98.8	Very high	111 Å²	111	52.6 Å²	52.6	48%	0.483	25%	0.252	S	S	.	.	H	α-helix	trans	-57.7	-51.9	-177	-178.8	-169.2	168.3	-160.7	0	111.4	E347 N348 I354 I355 E422	E347-K351 WeakPolarHBondContact O-CB 3.37Å; E347-K351 PolarHBondContact O-N 2.89Å; E347-K351 VanDerWaalsContact O-N 3.07Å; N348-K351 PolarHBondContact O-N 3.01Å; K351-I354 PolarHBondContact O-N 2.69Å; K351-I355 PolarHBondContact O-N 3.43Å; K351-E422 WeakPolarHBondContact CE-OE2 3.43Å; K351-E422 IonicContact NZ-OE2 3.78Å; K351-E422 PolarHBondContact NZ-OE2 2.9Å
352	L	98.9	Very high	98.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-72.8	-31.4	-175.1	-68	-165.6	0	0	0	112.5	N348 E350 I354 I355 L356 L376 I420 E422 L425	N348-L352 WeakPolarHBondContact ND2-CD1 2.93Å; N348-L352 VanDerWaalsContact O-CB 3.27Å; N348-L352 WeakPolarHBondContact O-CB 3.45Å; N348-L352 WeakPolarHBondContact O-CG 3.49Å; N348-L352 PolarHBondContact O-N 3.5Å; N348-L352 WeakPolarHBondContact OD1-CD1 3.44Å; E350-L352 PolarHBondContact O-N 3.17Å; L352-I354 VanDerWaalsContact C-N 3.34Å; L352-I354 PolarHBondContact O-N 2.72Å; L352-I355 HydrophobicContact CD2-CD1 4.02Å; L352-I355 PolarHBondContact O-N 2.92Å; L352-L356 WeakPolarHBondContact O-CB 3.26Å; L352-L356 PolarHBondContact O-N 2.89Å; L352-L376 HydrophobicContact CB-CD1 4.34Å; L352-L376 HydrophobicContact CB-CD2 4.13Å; L352-L376 HydrophobicContact CB-CG 4.45Å; L352-I420 HydrophobicContact CD1-CG2 3.82Å; L352-I420 WeakPolarHBondContact CD1-O 3.49Å; L352-E422 HydrophobicContact CD2-CB 3.91Å; L352-E422 HydrophobicContact CD2-CG 4.05Å; L352-L425 HydrophobicContact CB-CD2 3.85Å; L352-L425 HydrophobicContact CD1-CD2 4.48Å; L352-L425 HydrophobicContact CD2-CD2 4.08Å; L352-L425 HydrophobicContact CG-CD2 4.35Å; L352-L425 WeakPolarHBondContact O-CD2 3.31Å
353	G	98.9	Very high	98.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-41.3	172.3	0	0	0	0	0	113.5	A349 E350 L356 R357 G375	A349-G353 WeakPolarHBondContact O-CA 3.09Å; A349-G353 PolarHBondContact O-N 3.27Å; E350-G353 PolarHBondContact O-N 3.05Å; G353-L356 PolarHBondContact O-N 3.04Å; G353-R357 WeakPolarHBondContact O-CG 3.41Å; G353-R357 PolarHBondContact O-N 2.72Å; G353-R357 PolarHBondContact O-NH1 2.92Å; G353-G375 WeakPolarHBondContact CA-O 3.13Å
354	I	98.9	Very high	98.7	Very high	70 Å²	70	47.7 Å²	47.7	36%	0.359	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-47	175.2	-67.1	163.8	0	0	0	110.4	E350 K351 L352 R357 N358	E350-I354 HydrophobicContact CG-CD1 4.43Å; E350-I354 WeakPolarHBondContact O-CG1 3.49Å; E350-I354 PolarHBondContact O-N 3.06Å; K351-I354 PolarHBondContact O-N 2.69Å; L352-I354 VanDerWaalsContact C-N 3.34Å; L352-I354 PolarHBondContact O-N 2.72Å; I354-R357 PolarHBondContact O-N 3.29Å; I354-N358 VanDerWaalsContact O-CB 3.31Å; I354-N358 WeakPolarHBondContact O-CB 3.12Å; I354-N358 PolarHBondContact O-N 3.12Å; I354-N358 PolarHBondContact O-ND2 2.72Å
355	I	98.9	Very high	98.5	Very high	26 Å²	26	48.1 Å²	48.1	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-58.9	-51.3	177.6	-64.2	170	0	0	0	110.1	K351 L352 R357 N358 E359 E422 L425 I429	K351-I355 PolarHBondContact O-N 3.43Å; L352-I355 HydrophobicContact CD2-CD1 4.02Å; L352-I355 PolarHBondContact O-N 2.92Å; I355-R357 PolarHBondContact O-N 2.78Å; I355-N358 PolarHBondContact O-N 3.04Å; I355-E359 HydrophobicContact CG2-CG 4.41Å; I355-E359 WeakPolarHBondContact O-CG 3.45Å; I355-E359 PolarHBondContact O-N 3.34Å; I355-E422 HydrophobicContact CD1-CG 3.97Å; I355-L425 HydrophobicContact CB-CD2 4.35Å; I355-L425 HydrophobicContact CG2-CD2 4.27Å; I355-I429 HydrophobicContact CG2-CD1 4.38Å
356	L	98.9	Very high	98.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-52	-179.5	178.4	58.6	0	0	0	111.7	L352 G353 N358 E359 L360 L376 N378 F414 L425 I429	L352-L356 WeakPolarHBondContact O-CB 3.26Å; L352-L356 PolarHBondContact O-N 2.89Å; G353-L356 PolarHBondContact O-N 3.04Å; L356-N358 PolarHBondContact O-N 3.46Å; L356-E359 PolarHBondContact O-N 2.9Å; L356-L360 HydrophobicContact CD1-CD1 3.66Å; L356-L360 HydrophobicContact CD1-CD2 4.46Å; L356-L360 HydrophobicContact CD1-CG 3.93Å; L356-L360 HydrophobicContact CG-CD1 3.82Å; L356-L360 HydrophobicContact CG-CG 4.44Å; L356-L360 WeakPolarHBondContact O-CB 3.45Å; L356-L360 VanDerWaalsContact O-CG 3.23Å; L356-L360 WeakPolarHBondContact O-CG 3.26Å; L356-L360 PolarHBondContact O-N 3Å; L356-L376 HydrophobicContact CD2-CD2 4.33Å; L356-N378 HydrophobicContact CD2-CB 4.32Å; L356-F414 HydrophobicContact CD2-CB 4.38Å; L356-L425 HydrophobicContact CB-CD1 4.39Å; L356-L425 HydrophobicContact CB-CD2 4.47Å; L356-L425 HydrophobicContact CD1-CD1 4.28Å; L356-I429 HydrophobicContact CD1-CD1 4.09Å; L356-I429 HydrophobicContact CD1-CG1 3.76Å
357	R	98.9	Very high	98.1	Very high	41 Å²	41	54.1 Å²	54.1	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-42.6	179.5	-70	-169.4	-63	-78.8	-0.8	112	G353 I354 I355 E359 L360 M361 V371 G373 G375 N378	G353-R357 WeakPolarHBondContact O-CG 3.41Å; G353-R357 PolarHBondContact O-N 2.72Å; G353-R357 PolarHBondContact O-NH1 2.92Å; I354-R357 PolarHBondContact O-N 3.29Å; I355-R357 PolarHBondContact O-N 2.78Å; R357-E359 VanDerWaalsContact C-N 3.32Å; R357-E359 PolarHBondContact O-N 3.26Å; R357-L360 PolarHBondContact O-N 3.47Å; R357-M361 HydrophobicContact CB-CE 4.46Å; R357-M361 WeakPolarHBondContact O-CB 3.39Å; R357-M361 WeakPolarHBondContact O-CE 3.5Å; R357-M361 VanDerWaalsContact O-CG 3.28Å; R357-M361 WeakPolarHBondContact O-CG 3.49Å; R357-M361 PolarHBondContact O-N 3.45Å; R357-V371 HydrophobicContact CB-CG1 4.21Å; R357-V371 HydrophobicContact CG-CG1 4.13Å; R357-G373 PolarHBondContact NE-O 2.83Å; R357-G373 PolarHBondContact NH1-O 2.83Å; R357-G375 PolarHBondContact NH1-O 3.48Å; R357-G375 VanDerWaalsContact NH1-O 3.13Å; R357-N378 VanDerWaalsContact CD-OD1 3.22Å; R357-N378 WeakPolarHBondContact CD-OD1 3.5Å; R357-N378 WeakPolarHBondContact CG-OD1 3.48Å; R357-N378 PolarHBondContact NH1-OD1 2.85Å
358	N	98.9	Very high	98.1	Very high	80 Å²	80	48.9 Å²	48.9	43%	0.428	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-38.2	179.1	-75.8	-13.6	0	0	0	112.8	I354 I355 L356 M361	I354-N358 VanDerWaalsContact O-CB 3.31Å; I354-N358 WeakPolarHBondContact O-CB 3.12Å; I354-N358 PolarHBondContact O-N 3.12Å; I354-N358 PolarHBondContact O-ND2 2.72Å; I355-N358 PolarHBondContact O-N 3.04Å; L356-N358 PolarHBondContact O-N 3.46Å; N358-M361 WeakPolarHBondContact OD1-CE 3.36Å
359	E	98.8	Very high	98	Very high	45 Å²	45	50.7 Å²	50.7	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-73.6	-42.4	176.3	-65.3	-55.1	135.6	0	0	112.1	I355 L356 R357 M361 K362 I429	I355-E359 HydrophobicContact CG2-CG 4.41Å; I355-E359 WeakPolarHBondContact O-CG 3.45Å; I355-E359 PolarHBondContact O-N 3.34Å; L356-E359 PolarHBondContact O-N 2.9Å; R357-E359 VanDerWaalsContact C-N 3.32Å; R357-E359 PolarHBondContact O-N 3.26Å; E359-M361 VanDerWaalsContact C-N 3.29Å; E359-M361 PolarHBondContact O-N 2.82Å; E359-K362 WeakPolarHBondContact O-CB 3.42Å; E359-K362 PolarHBondContact O-N 2.7Å; E359-K362 VanDerWaalsContact O-N 3.09Å; E359-K362 IonicContact OE1-NZ 3.08Å; E359-K362 PolarHBondContact OE1-NZ 2.93Å; E359-K362 IonicContact OE2-NZ 3.45Å; E359-K362 PolarHBondContact OE2-NZ 3.27Å; E359-I429 HydrophobicContact CB-CD1 4.06Å; E359-I429 HydrophobicContact CB-CG2 3.7Å; E359-I429 HydrophobicContact CG-CD1 4Å; E359-I429 HydrophobicContact CG-CG2 4.18Å
360	L	98.6	Very high	98	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-33.2	178	-67	174	0	0	0	112.4	L356 R357 K362 L363 V371 I380 F414 I432	L356-L360 HydrophobicContact CD1-CD1 3.66Å; L356-L360 HydrophobicContact CD1-CD2 4.46Å; L356-L360 HydrophobicContact CD1-CG 3.93Å; L356-L360 HydrophobicContact CG-CD1 3.82Å; L356-L360 HydrophobicContact CG-CG 4.44Å; L356-L360 WeakPolarHBondContact O-CB 3.45Å; L356-L360 VanDerWaalsContact O-CG 3.23Å; L356-L360 WeakPolarHBondContact O-CG 3.26Å; L356-L360 PolarHBondContact O-N 3Å; R357-L360 PolarHBondContact O-N 3.47Å; L360-K362 PolarHBondContact O-N 2.84Å; L360-L363 HydrophobicContact CD2-CD1 4.14Å; L360-L363 WeakPolarHBondContact O-CB 3.45Å; L360-L363 WeakPolarHBondContact O-CG 3.42Å; L360-L363 PolarHBondContact O-N 3.03Å; L360-L363 VanDerWaalsContact O-N 3.11Å; L360-V371 HydrophobicContact CB-CG1 3.98Å; L360-V371 HydrophobicContact CB-CG2 4.03Å; L360-V371 HydrophobicContact CD1-CG1 4.39Å; L360-I380 HydrophobicContact CB-CG2 4.31Å; L360-I380 HydrophobicContact CD1-CG2 3.9Å; L360-I380 HydrophobicContact CD2-CG2 4.49Å; L360-I380 HydrophobicContact CG-CG2 4.47Å; L360-F414 HydrophobicContact CD1-CD2 3.99Å; L360-F414 HydrophobicContact CD1-CE2 4.37Å; L360-F414 HydrophobicContact CD2-CE2 4.44Å; L360-I432 HydrophobicContact CD2-CG2 3.65Å
361	M	98.6	Very high	97.9	Very high	109 Å²	109	52 Å²	52	54%	0.537	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.2	175.5	-76.6	-174.2	-64.7	0	0	113.7	R357 N358 E359 L363 V371	R357-M361 HydrophobicContact CB-CE 4.46Å; R357-M361 WeakPolarHBondContact O-CB 3.39Å; R357-M361 WeakPolarHBondContact O-CE 3.5Å; R357-M361 VanDerWaalsContact O-CG 3.28Å; R357-M361 WeakPolarHBondContact O-CG 3.49Å; R357-M361 PolarHBondContact O-N 3.45Å; N358-M361 WeakPolarHBondContact OD1-CE 3.36Å; E359-M361 VanDerWaalsContact C-N 3.29Å; E359-M361 PolarHBondContact O-N 2.82Å; M361-L363 VanDerWaalsContact C-N 3.31Å; M361-V371 HydrophobicContact CG-CB 3.72Å; M361-V371 HydrophobicContact CG-CG1 4.21Å; M361-V371 HydrophobicContact CG-CG2 3.81Å
362	K	98.4	Very high	97.9	Very high	144 Å²	144	50 Å²	50	63%	0.626	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.3	173.2	-59.5	173.9	-168.7	170	0	112.8	E359 L360	E359-K362 WeakPolarHBondContact O-CB 3.42Å; E359-K362 PolarHBondContact O-N 2.7Å; E359-K362 VanDerWaalsContact O-N 3.09Å; E359-K362 IonicContact OE1-NZ 3.08Å; E359-K362 PolarHBondContact OE1-NZ 2.93Å; E359-K362 IonicContact OE2-NZ 3.45Å; E359-K362 PolarHBondContact OE2-NZ 3.27Å; L360-K362 PolarHBondContact O-N 2.84Å
363	L	97.9	Very high	97.9	Very high	14 Å²	14	50.5 Å²	50.5	7%	0.073	28%	0.275	C	S	.	.	S	Bend	trans	-64	146.5	174.4	-71.7	165.9	0	0	0	110.3	L360 M361 S365 V368 N433 I436 L437	L360-L363 HydrophobicContact CD2-CD1 4.14Å; L360-L363 WeakPolarHBondContact O-CB 3.45Å; L360-L363 WeakPolarHBondContact O-CG 3.42Å; L360-L363 PolarHBondContact O-N 3.03Å; L360-L363 VanDerWaalsContact O-N 3.11Å; M361-L363 VanDerWaalsContact C-N 3.31Å; L363-S365 PolarHBondContact O-N 3.11Å; L363-V368 HydrophobicContact CB-CB 4.22Å; L363-V368 HydrophobicContact CB-CG2 3.94Å; L363-V368 HydrophobicContact CD1-CG2 3.9Å; L363-N433 WeakPolarHBondContact CD2-OD1 3.46Å; L363-I436 HydrophobicContact CD1-CD1 3.59Å; L363-I436 HydrophobicContact CD1-CG2 4.42Å; L363-I436 HydrophobicContact CD2-CB 4.46Å; L363-I436 HydrophobicContact CD2-CG2 4.15Å; L363-L437 HydrophobicContact CD2-CD1 4.38Å; L363-L437 HydrophobicContact CD2-CD2 4.12Å; L363-L437 HydrophobicContact CD2-CG 4.09Å
364	P	97	Very high	97.9	Very high	53 Å²	53	52.7 Å²	52.7	34%	0.344	28%	0.284	S	S	.	.			trans	-58.3	135	-178.7	-23.8	34.2	0	0	0	112.2	D366 V367 V368 L437	P364-D366 WeakPolarHBondContact CB-OD1 3.26Å; P364-D366 PolarHBondContact O-N 3.14Å; P364-V367 HydrophobicContact CB-CG2 4.28Å; P364-V367 PolarHBondContact O-N 3.46Å; P364-V368 PolarHBondContact O-N 3.49Å; P364-L437 HydrophobicContact CG-CD2 3.89Å
365	S	95.4	Very high	97.9	Very high	100 Å²	100	49.4 Å²	49.4	70%	0.699	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.4	-175.9	57.5	0	0	0	0	114	L363 V367 V368	L363-S365 PolarHBondContact O-N 3.11Å; S365-V367 VanDerWaalsContact C-N 3.27Å; S365-V368 WeakPolarHBondContact CA-O 3.21Å
366	D	94.3	Very high	97.9	Very high	107 Å²	107	48.1 Å²	48.1	57%	0.572	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.1	168.9	62.9	-43.3	0	0	0	113.2	P364 K383	P364-D366 WeakPolarHBondContact CB-OD1 3.26Å; P364-D366 PolarHBondContact O-N 3.14Å; D366-K383 WeakPolarHBondContact O-CB 3.3Å; D366-K383 WeakPolarHBondContact O-CD 3.31Å
367	V	95.4	Very high	97.9	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.188	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-43.7	173.8	-176	0	0	0	0	111.6	P364 S365 I382 K383 Y388 I436	P364-V367 HydrophobicContact CB-CG2 4.28Å; P364-V367 PolarHBondContact O-N 3.46Å; S365-V367 VanDerWaalsContact C-N 3.27Å; V367-I382 CarbonylContact O-C 3.52Å; V367-I382 VanDerWaalsContact O-CA 3.28Å; V367-I382 WeakPolarHBondContact O-CA 3.41Å; V367-K383 PolarHBondContact O-N 3.18Å; V367-Y388 HydrophobicContact CG1-CE1 4.41Å; V367-I436 HydrophobicContact CG1-CG2 3.48Å; V367-I436 VanDerWaalsContact CG1-CG2 3.48Å
368	V	97.4	Very high	97.9	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.6	-180	177.2	0	0	0	0	109.6	L363 P364 S365 V371 I380 V381 I436	L363-V368 HydrophobicContact CB-CB 4.22Å; L363-V368 HydrophobicContact CB-CG2 3.94Å; L363-V368 HydrophobicContact CD1-CG2 3.9Å; P364-V368 PolarHBondContact O-N 3.49Å; S365-V368 WeakPolarHBondContact CA-O 3.21Å; V368-V371 HydrophobicContact CG1-CG2 3.99Å; V368-I380 HydrophobicContact CG1-CB 4Å; V368-I380 HydrophobicContact CG1-CG2 4.34Å; V368-I380 HydrophobicContact CG2-CD1 4.24Å; V368-V381 CarbonylContact C-O 3.46Å; V368-V381 WeakPolarHBondContact CA-O 3.34Å; V368-I436 HydrophobicContact CG2-CG2 4.41Å
369	T	97.4	Very high	97.9	Very high	81 Å²	81	42.4 Å²	42.4	50%	0.497	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-25.8	-175.1	61.4	0	0	0	0	113.1	V381 K383	T369-V381 PolarHBondContact N-O 2.9Å; T369-V381 WeakPolarHBondContact OG1-CB 3.26Å; T369-V381 VanDerWaalsContact OG1-CG1 3.31Å; T369-V381 WeakPolarHBondContact OG1-CG1 3.29Å; T369-V381 PolarHBondContact OG1-O 3.34Å; T369-K383 HydrophobicContact CG2-CB 3.84Å; T369-K383 HydrophobicContact CG2-CG 4.25Å
370	A	97.9	Very high	97.9	Very high	39 Å²	39	40.2 Å²	40.2	32%	0.322	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	151.2	177.1	0	0	0	0	0	112.5	I380 V381	A370-I380 CarbonylContact O-C 3.45Å; A370-I380 WeakPolarHBondContact O-CA 3.38Å; A370-V381 HydrophobicContact CB-CB 4.17Å; A370-V381 HydrophobicContact CB-CG2 3.91Å; A370-V381 PolarHBondContact O-N 2.86Å
371	V	98.6	Very high	97.9	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.1	169	-177.8	0	0	0	0	107.5	R357 L360 M361 V368 I380	R357-V371 HydrophobicContact CB-CG1 4.21Å; R357-V371 HydrophobicContact CG-CG1 4.13Å; L360-V371 HydrophobicContact CB-CG1 3.98Å; L360-V371 HydrophobicContact CB-CG2 4.03Å; L360-V371 HydrophobicContact CD1-CG1 4.39Å; M361-V371 HydrophobicContact CG-CB 3.72Å; M361-V371 HydrophobicContact CG-CG1 4.21Å; M361-V371 HydrophobicContact CG-CG2 3.81Å; V368-V371 HydrophobicContact CG1-CG2 3.99Å; V371-I380 HydrophobicContact CG1-CG2 4.46Å; V371-I380 HydrophobicContact CG2-CG2 4.08Å
372	R	98.4	Very high	97.8	Very high	70 Å²	70	35.8 Å²	35.8	26%	0.264	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.4	-177.1	60.7	-175.2	-179.9	-127.4	-0.8	112.3	G237 V238 N378 A379 V381 I411	G237-R372 VanDerWaalsContact O-CZ 3.31Å; G237-R372 PolarHBondContact O-NE 3.05Å; G237-R372 PolarHBondContact O-NH2 3.1Å; V238-R372 WeakPolarHBondContact O-CD 3.39Å; V238-R372 WeakPolarHBondContact O-CG 3.36Å; V238-R372 PolarHBondContact O-NE 3.26Å; R372-N378 CarbonylContact O-C 3.32Å; R372-N378 VanDerWaalsContact O-CA 3.3Å; R372-N378 WeakPolarHBondContact O-CA 3.36Å; R372-A379 PolarHBondContact N-O 3.24Å; R372-A379 PolarHBondContact O-N 3.44Å; R372-V381 VanDerWaalsContact NH1-CG2 3.31Å; R372-I411 VanDerWaalsContact NH2-CD1 3.32Å
373	G	98.7	Very high	97.7	Very high	12 Å²	12	34.4 Å²	34.4	12%	0.124	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.8	170.8	178.6	0	0	0	0	0	113.9	R357 L377	R357-G373 PolarHBondContact NE-O 2.83Å; R357-G373 PolarHBondContact NH1-O 2.83Å; G373-L377 WeakPolarHBondContact CA-O 3.31Å
374	K	98.9	Very high	97.4	Very high	46 Å²	46	38.5 Å²	38.5	20%	0.2	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.7	169.1	-65	-170.4	-177.9	176.9	0	108.6	I232 V240 T272 Y280 L376 L377	I232-K374 HydrophobicContact CD1-CB 3.94Å; I232-K374 HydrophobicContact CD1-CD 4.1Å; I232-K374 HydrophobicContact CD1-CG 3.99Å; V240-K374 HydrophobicContact CG1-CD 4.48Å; V240-K374 HydrophobicContact CG1-CG 4.39Å; T272-K374 HydrophobicContact CG2-CB 4.45Å; T272-K374 CarbonylContact O-C 3.37Å; Y280-K374 HydrophobicContact CD2-CD 3.99Å; Y280-K374 HydrophobicContact CE2-CB 4.33Å; Y280-K374 HydrophobicContact CE2-CD 3.94Å; Y280-K374 HydrophobicContact CG-CD 4.34Å; K374-L376 PolarHBondContact O-N 3.03Å; K374-L377 PolarHBondContact N-O 3.35Å; K374-L377 PolarHBondContact O-N 2.95Å; K374-L377 VanDerWaalsContact O-N 3.08Å
375	G	98.8	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-133.2	-172.6	0	0	0	0	0	112.5	T272 A349 G353 R357 N378	T272-G375 VanDerWaalsContact C-CA 3.49Å; T272-G375 WeakPolarHBondContact O-CA 3.34Å; T272-G375 PolarHBondContact O-N 2.8Å; A349-G375 CarbonylContact O-C 3.36Å; A349-G375 WeakPolarHBondContact O-CA 3.3Å; G353-G375 WeakPolarHBondContact CA-O 3.13Å; R357-G375 PolarHBondContact NH1-O 3.48Å; R357-G375 VanDerWaalsContact NH1-O 3.13Å; G375-N378 PolarHBondContact O-ND2 2.89Å; G375-N378 PolarHBondContact O-OD1 3.38Å
376	L	98.9	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	31.5	176.4	-71.5	173.5	0	0	0	112.6	R271 A349 L352 L356 K374 A415 P416 L418 I420	R271-L376 WeakPolarHBondContact CD-O 3.35Å; R271-L376 PolarHBondContact NH1-O 3.47Å; R271-L376 PolarHBondContact O-N 2.71Å; A349-L376 HydrophobicContact CB-CB 4.4Å; A349-L376 HydrophobicContact CB-CD1 4.27Å; A349-L376 HydrophobicContact CB-CG 4.24Å; L352-L376 HydrophobicContact CB-CD1 4.34Å; L352-L376 HydrophobicContact CB-CD2 4.13Å; L352-L376 HydrophobicContact CB-CG 4.45Å; L356-L376 HydrophobicContact CD2-CD2 4.33Å; K374-L376 PolarHBondContact O-N 3.03Å; L376-A415 VanDerWaalsContact O-CA 3.28Å; L376-A415 WeakPolarHBondContact O-CA 3.22Å; L376-P416 HydrophobicContact CD1-CG 4.43Å; L376-P416 HydrophobicContact CD2-CG 4.05Å; L376-L418 HydrophobicContact CB-CD2 3.76Å; L376-L418 HydrophobicContact CD1-CD2 3.81Å; L376-L418 HydrophobicContact CG-CD2 4.37Å; L376-I420 HydrophobicContact CD1-CG2 3.94Å
377	L	98.9	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	96.7	162.2	179.3	62.5	0	0	0	108.3	I232 V238 T267 R271 T272 G373 K374 A415	I232-L377 HydrophobicContact CG2-CD2 4.36Å; V238-L377 HydrophobicContact CG1-CG 3.95Å; V238-L377 HydrophobicContact CG2-CD1 4.06Å; V238-L377 HydrophobicContact CG2-CG 4.27Å; T267-L377 HydrophobicContact CG2-CD2 4.08Å; R271-L377 HydrophobicContact CG-CB 3.87Å; T272-L377 HydrophobicContact CG2-CD2 4.41Å; G373-L377 WeakPolarHBondContact CA-O 3.31Å; K374-L377 PolarHBondContact N-O 3.35Å; K374-L377 PolarHBondContact O-N 2.95Å; K374-L377 VanDerWaalsContact O-N 3.08Å; L377-A415 HydrophobicContact CD1-CB 4.35Å
378	N	98.9	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.9	-174.9	-55.7	-80.9	0	0	0	111.3	L356 R357 R372 G375 F414	L356-N378 HydrophobicContact CD2-CB 4.32Å; R357-N378 VanDerWaalsContact CD-OD1 3.22Å; R357-N378 WeakPolarHBondContact CD-OD1 3.5Å; R357-N378 WeakPolarHBondContact CG-OD1 3.48Å; R357-N378 PolarHBondContact NH1-OD1 2.85Å; R372-N378 CarbonylContact O-C 3.32Å; R372-N378 VanDerWaalsContact O-CA 3.3Å; R372-N378 WeakPolarHBondContact O-CA 3.36Å; G375-N378 PolarHBondContact O-ND2 2.89Å; G375-N378 PolarHBondContact O-OD1 3.38Å; N378-F414 PolarHBondContact N-O 3.22Å; N378-F414 VanDerWaalsContact N-O 3.11Å; N378-F414 PolarHBondContact O-N 3.25Å
379	A	98.6	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.2	169.5	0	0	0	0	0	110.9	V238 R372 I411 I412	V238-A379 HydrophobicContact CB-CB 3.81Å; V238-A379 HydrophobicContact CG2-CB 3.77Å; R372-A379 PolarHBondContact N-O 3.24Å; R372-A379 PolarHBondContact O-N 3.44Å; A379-I411 HydrophobicContact CB-CG2 3.89Å; A379-I412 CarbonylContact C-O 3.34Å; A379-I412 WeakPolarHBondContact CA-O 3.1Å; A379-I412 WeakPolarHBondContact CB-O 3.3Å
380	I	98.5	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.9	163.6	64.4	170.9	0	0	0	109.2	L360 V368 A370 V371 I382 I411 I412 F414 I436	L360-I380 HydrophobicContact CB-CG2 4.31Å; L360-I380 HydrophobicContact CD1-CG2 3.9Å; L360-I380 HydrophobicContact CD2-CG2 4.49Å; L360-I380 HydrophobicContact CG-CG2 4.47Å; V368-I380 HydrophobicContact CG1-CB 4Å; V368-I380 HydrophobicContact CG1-CG2 4.34Å; V368-I380 HydrophobicContact CG2-CD1 4.24Å; A370-I380 CarbonylContact O-C 3.45Å; A370-I380 WeakPolarHBondContact O-CA 3.38Å; V371-I380 HydrophobicContact CG1-CG2 4.46Å; V371-I380 HydrophobicContact CG2-CG2 4.08Å; I380-I382 HydrophobicContact CD1-CG2 4.01Å; I380-I382 HydrophobicContact CG1-CG2 4.4Å; I380-I411 WeakPolarHBondContact O-CA 3.41Å; I380-I412 HydrophobicContact CD1-CD1 4.28Å; I380-I412 HydrophobicContact CG1-CB 3.95Å; I380-I412 PolarHBondContact N-O 3.21Å; I380-I412 PolarHBondContact O-N 2.9Å; I380-F414 HydrophobicContact CD1-CE2 3.78Å; I380-F414 HydrophobicContact CD1-CZ 4.25Å; I380-F414 HydrophobicContact CG1-CE2 3.78Å; I380-F414 HydrophobicContact CG2-CD2 4.3Å; I380-F414 HydrophobicContact CG2-CE2 3.99Å; I380-I436 HydrophobicContact CD1-CD1 3.44Å; I380-I436 VanDerWaalsContact CD1-CD1 3.44Å
381	V	98.1	Very high	96	Very high	13 Å²	13	43.6 Å²	43.6	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.2	167.9	-170.4	0	0	0	0	107	V368 T369 A370 R372 D410 I411	V368-V381 CarbonylContact C-O 3.46Å; V368-V381 WeakPolarHBondContact CA-O 3.34Å; T369-V381 PolarHBondContact N-O 2.9Å; T369-V381 WeakPolarHBondContact OG1-CB 3.26Å; T369-V381 VanDerWaalsContact OG1-CG1 3.31Å; T369-V381 WeakPolarHBondContact OG1-CG1 3.29Å; T369-V381 PolarHBondContact OG1-O 3.34Å; A370-V381 HydrophobicContact CB-CB 4.17Å; A370-V381 HydrophobicContact CB-CG2 3.91Å; A370-V381 PolarHBondContact O-N 2.86Å; R372-V381 VanDerWaalsContact NH1-CG2 3.31Å; V381-D410 CarbonylContact C-O 3.55Å; V381-D410 WeakPolarHBondContact CA-O 3.32Å; V381-D410 HydrophobicContact CG1-CB 4.5Å; V381-D410 WeakPolarHBondContact CG1-OD2 3.39Å; V381-I411 HydrophobicContact CG1-CG1 4.43Å; V381-I411 HydrophobicContact CG2-CG1 4.22Å
382	I	97.1	Very high	95.9	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	153.7	176.3	64.5	164.2	0	0	0	110.3	V367 I380 E384 Y388 A390 V393 D410 I412	V367-I382 CarbonylContact O-C 3.52Å; V367-I382 VanDerWaalsContact O-CA 3.28Å; V367-I382 WeakPolarHBondContact O-CA 3.41Å; I380-I382 HydrophobicContact CD1-CG2 4.01Å; I380-I382 HydrophobicContact CG1-CG2 4.4Å; I382-E384 VanDerWaalsContact C-N 3.32Å; I382-E384 PolarHBondContact O-N 3.29Å; I382-Y388 HydrophobicContact CB-CE1 4.21Å; I382-Y388 HydrophobicContact CD1-CD1 4.22Å; I382-Y388 HydrophobicContact CD1-CE1 3.78Å; I382-A390 HydrophobicContact CD1-CB 4.09Å; I382-V393 HydrophobicContact CD1-CG2 4.2Å; I382-D410 HydrophobicContact CG1-CB 4.45Å; I382-D410 WeakPolarHBondContact CG1-O 3.34Å; I382-D410 PolarHBondContact N-O 2.82Å; I382-I412 HydrophobicContact CG2-CD1 4.08Å
383	K	95.9	Very high	95.9	Very high	115 Å²	115	42.2 Å²	42.2	50%	0.5	20%	0.202	S	C	.	.			trans	-79.8	85.8	168.9	-165.6	-179.9	-174	178.7	0	108.8	D366 V367 T369	D366-K383 WeakPolarHBondContact O-CB 3.3Å; D366-K383 WeakPolarHBondContact O-CD 3.31Å; V367-K383 PolarHBondContact O-N 3.18Å; T369-K383 HydrophobicContact CG2-CB 3.84Å; T369-K383 HydrophobicContact CG2-CG 4.25Å
384	E	92.6	Very high	95.9	Very high	100 Å²	100	41.7 Å²	41.7	47%	0.467	20%	0.196	S	C	.	.			trans	-57.6	139.1	178.5	-170.9	178.4	168	0	0	111	I382 Y388 D389 D410	I382-E384 VanDerWaalsContact C-N 3.32Å; I382-E384 PolarHBondContact O-N 3.29Å; E384-Y388 WeakPolarHBondContact CA-O 3.41Å; E384-Y388 VanDerWaalsContact CG-O 3.25Å; E384-Y388 WeakPolarHBondContact CG-O 3.47Å; E384-D389 HydrophobicContact CG-CB 4.25Å; E384-D410 HydrophobicContact CB-CB 4.21Å
385	T	91.1	Very high	95.8	Very high	78 Å²	78	41.6 Å²	41.6	48%	0.479	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-127.7	172.5	169.7	75.1	0	0	0	0	109.1	D387 Y388	T385-D387 PolarHBondContact O-N 3.34Å; T385-Y388 PolarHBondContact N-O 3.05Å; T385-Y388 PolarHBondContact O-N 3.47Å; T385-Y388 VanDerWaalsContact O-N 3.13Å; T385-Y388 WeakPolarHBondContact OG1-CB 3.34Å; T385-Y388 PolarHBondContact OG1-N 3.42Å
386	K	87.2	Confident	95.8	Very high	197 Å²	197	45.1 Å²	45.1	86%	0.857	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.1	179.2	-172.9	178.4	176.6	-175.5	0	113.5
387	D	87.3	Confident	95.8	Very high	127 Å²	127	45.1 Å²	45.1	68%	0.679	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-1.7	-176	-60.4	-50.6	0	0	0	113.2	T385 K392	T385-D387 PolarHBondContact O-N 3.34Å; D387-K392 VanDerWaalsContact C-NZ 3.27Å; D387-K392 VanDerWaalsContact O-CD 3.31Å; D387-K392 WeakPolarHBondContact O-CD 3.46Å; D387-K392 WeakPolarHBondContact O-CE 3.39Å; D387-K392 PolarHBondContact O-NZ 3.04Å
388	Y	91.3	Very high	95.8	Very high	23 Å²	23	47.1 Å²	47.1	9%	0.09	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-134	114.4	-176.3	178.1	-116.3	0	0	0	111.6	V367 I382 E384 T385 V393 F439	V367-Y388 HydrophobicContact CG1-CE1 4.41Å; I382-Y388 HydrophobicContact CB-CE1 4.21Å; I382-Y388 HydrophobicContact CD1-CD1 4.22Å; I382-Y388 HydrophobicContact CD1-CE1 3.78Å; E384-Y388 WeakPolarHBondContact CA-O 3.41Å; E384-Y388 VanDerWaalsContact CG-O 3.25Å; E384-Y388 WeakPolarHBondContact CG-O 3.47Å; T385-Y388 PolarHBondContact N-O 3.05Å; T385-Y388 PolarHBondContact O-N 3.47Å; T385-Y388 VanDerWaalsContact O-N 3.13Å; T385-Y388 WeakPolarHBondContact OG1-CB 3.34Å; T385-Y388 PolarHBondContact OG1-N 3.42Å; Y388-V393 HydrophobicContact CD2-CG2 4.29Å; Y388-V393 HydrophobicContact CE2-CG2 3.28Å; Y388-V393 VanDerWaalsContact CZ-CG2 3.46Å; Y388-V393 VanDerWaalsContact OH-CG2 3.23Å; Y388-V393 WeakPolarHBondContact OH-CG2 3.4Å; Y388-F439 HydrophobicContact CD2-CB 3.98Å; Y388-F439 AromaticContact CD2-CD1 3.41Å; Y388-F439 HydrophobicContact CD2-CD1 3.41Å; Y388-F439 VanDerWaalsContact CD2-CD1 3.41Å; Y388-F439 HydrophobicContact CD2-CD2 4.23Å; Y388-F439 AromaticContact CD2-CE1 3.88Å; Y388-F439 HydrophobicContact CD2-CE1 3.88Å; Y388-F439 AromaticContact CD2-CG 3.6Å; Y388-F439 HydrophobicContact CD2-CG 3.6Å; Y388-F439 HydrophobicContact CD2-CZ 4.47Å; Y388-F439 HydrophobicContact CE2-CB 3.7Å; Y388-F439 AromaticContact CE2-CD1 3.54Å; Y388-F439 HydrophobicContact CE2-CD1 3.54Å; Y388-F439 AromaticContact CE2-CD2 3.46Å; Y388-F439 HydrophobicContact CE2-CD2 3.46Å; Y388-F439 VanDerWaalsContact CE2-CD2 3.46Å; Y388-F439 AromaticContact CE2-CE1 3.98Å; Y388-F439 HydrophobicContact CE2-CE1 3.98Å; Y388-F439 AromaticContact CE2-CE2 3.91Å; Y388-F439 HydrophobicContact CE2-CE2 3.91Å; Y388-F439 AromaticContact CE2-CG 3.25Å; Y388-F439 HydrophobicContact CE2-CG 3.25Å; Y388-F439 HydrophobicContact CE2-CZ 4.15Å
389	D	95.3	Very high	95.8	Very high	34 Å²	34	52 Å²	52	18%	0.182	24%	0.244	C	C	.	.			trans	-136.4	166.5	-176.8	59	59	0	0	0	111.4	E384 W391 K392 V393	E384-D389 HydrophobicContact CG-CB 4.25Å; D389-W391 PolarHBondContact O-N 3.44Å; D389-W391 WeakPolarHBondContact OD1-CA 3.19Å; D389-W391 WeakPolarHBondContact OD1-CB 3.38Å; D389-W391 PolarHBondContact OD1-N 3.16Å; D389-W391 VanDerWaalsContact OD1-N 3.12Å; D389-K392 PolarHBondContact O-N 3.34Å; D389-K392 WeakPolarHBondContact OD1-CG 3.46Å; D389-K392 PolarHBondContact OD1-N 3.1Å; D389-K392 WeakPolarHBondContact OD2-CD 3.37Å; D389-K392 VanDerWaalsContact OD2-CE 3.27Å; D389-K392 WeakPolarHBondContact OD2-CE 3.2Å; D389-K392 IonicContact OD2-NZ 3.28Å; D389-K392 PolarHBondContact OD2-NZ 3.07Å; D389-V393 PolarHBondContact O-N 3.13Å
390	A	96.3	Very high	95.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-26.9	-175.1	0	0	0	0	0	112.6	I382 V393 C394 P406 G409 I412	I382-A390 HydrophobicContact CD1-CB 4.09Å; A390-V393 PolarHBondContact O-N 2.75Å; A390-C394 PolarHBondContact O-N 3.3Å; A390-C394 PolarHBondContact O-SG 2.83Å; A390-P406 HydrophobicContact CB-CB 3.74Å; A390-G409 WeakPolarHBondContact CB-O 3.43Å; A390-G409 PolarHBondContact N-O 3.05Å; A390-I412 HydrophobicContact CB-CD1 4.16Å; A390-I412 HydrophobicContact CB-CG1 3.62Å
391	W	97	Very high	95.8	Very high	68 Å²	68	55 Å²	55	26%	0.258	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-46.1	175.8	179.1	-96.9	0	0	0	111.4	H56 L58 D389 V393 C394 L395 P406	H56-W391 AromaticContact CE1-CH2 3.75Å; H56-W391 AromaticContact CE1-CZ2 3.64Å; H56-W391 AromaticContact ND1-CH2 3.5Å; H56-W391 WeakPolarHBondContact ND1-CH2 3.29Å; H56-W391 AromaticContact ND1-CZ2 3.9Å; L58-W391 HydrophobicContact CD1-CH2 4.12Å; L58-W391 HydrophobicContact CD1-CZ2 4.29Å; L58-W391 HydrophobicContact CD1-CZ3 4.3Å; D389-W391 PolarHBondContact O-N 3.44Å; D389-W391 WeakPolarHBondContact OD1-CA 3.19Å; D389-W391 WeakPolarHBondContact OD1-CB 3.38Å; D389-W391 PolarHBondContact OD1-N 3.16Å; D389-W391 VanDerWaalsContact OD1-N 3.12Å; W391-V393 VanDerWaalsContact C-N 3.31Å; W391-V393 PolarHBondContact O-N 2.72Å; W391-C394 PolarHBondContact O-N 3.05Å; W391-C394 VanDerWaalsContact O-N 3.16Å; W391-L395 WeakPolarHBondContact O-CG 3.48Å; W391-L395 PolarHBondContact O-N 3.19Å; W391-P406 HydrophobicContact CE3-CG 4.13Å
392	K	96.7	Very high	95.8	Very high	71 Å²	71	54.4 Å²	54.4	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-41.5	174.5	-73	171.2	-172.4	135.5	0	111.7	D387 D389 L395 R396 F439	D387-K392 VanDerWaalsContact C-NZ 3.27Å; D387-K392 VanDerWaalsContact O-CD 3.31Å; D387-K392 WeakPolarHBondContact O-CD 3.46Å; D387-K392 WeakPolarHBondContact O-CE 3.39Å; D387-K392 PolarHBondContact O-NZ 3.04Å; D389-K392 PolarHBondContact O-N 3.34Å; D389-K392 WeakPolarHBondContact OD1-CG 3.46Å; D389-K392 PolarHBondContact OD1-N 3.1Å; D389-K392 WeakPolarHBondContact OD2-CD 3.37Å; D389-K392 VanDerWaalsContact OD2-CE 3.27Å; D389-K392 WeakPolarHBondContact OD2-CE 3.2Å; D389-K392 IonicContact OD2-NZ 3.28Å; D389-K392 PolarHBondContact OD2-NZ 3.07Å; K392-L395 PolarHBondContact O-N 3.44Å; K392-R396 PolarHBondContact O-N 3.08Å; K392-F439 HydrophobicContact CB-CE1 4.03Å; K392-F439 HydrophobicContact CB-CZ 4.1Å
393	V	97.7	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-46	174.8	-179.2	0	0	0	0	110.7	I382 Y388 D389 A390 W391 L395 R396 L397 I412 I436 F439	I382-V393 HydrophobicContact CD1-CG2 4.2Å; Y388-V393 HydrophobicContact CD2-CG2 4.29Å; Y388-V393 HydrophobicContact CE2-CG2 3.28Å; Y388-V393 VanDerWaalsContact CZ-CG2 3.46Å; Y388-V393 VanDerWaalsContact OH-CG2 3.23Å; Y388-V393 WeakPolarHBondContact OH-CG2 3.4Å; D389-V393 PolarHBondContact O-N 3.13Å; A390-V393 PolarHBondContact O-N 2.75Å; W391-V393 VanDerWaalsContact C-N 3.31Å; W391-V393 PolarHBondContact O-N 2.72Å; V393-L395 PolarHBondContact O-N 2.88Å; V393-R396 PolarHBondContact O-N 2.9Å; V393-R396 VanDerWaalsContact O-N 3.12Å; V393-L397 HydrophobicContact CG1-CD1 4.01Å; V393-L397 HydrophobicContact CG1-CG 4.29Å; V393-L397 WeakPolarHBondContact O-CG 3.35Å; V393-L397 PolarHBondContact O-N 3.4Å; V393-I412 HydrophobicContact CB-CD1 3.56Å; V393-I412 HydrophobicContact CG1-CD1 3.41Å; V393-I412 VanDerWaalsContact CG1-CD1 3.41Å; V393-I412 HydrophobicContact CG2-CD1 4.15Å; V393-I436 HydrophobicContact CG1-CG1 4.14Å; V393-F439 HydrophobicContact CB-CE2 4.38Å; V393-F439 HydrophobicContact CG2-CD2 4.43Å; V393-F439 HydrophobicContact CG2-CE2 3.96Å; V393-F439 HydrophobicContact CG2-CZ 4.33Å
394	C	98.3	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-36	177.7	-73.8	0	0	0	0	113.6	L58 A390 W391 R396 L397 R398 A404 P406	L58-C394 HydrophobicContact CD1-CB 4.31Å; A390-C394 PolarHBondContact O-N 3.3Å; A390-C394 PolarHBondContact O-SG 2.83Å; W391-C394 PolarHBondContact O-N 3.05Å; W391-C394 VanDerWaalsContact O-N 3.16Å; C394-R396 VanDerWaalsContact C-N 3.31Å; C394-R396 PolarHBondContact O-N 2.97Å; C394-L397 PolarHBondContact O-N 3.4Å; C394-R398 PolarHBondContact O-N 3Å; C394-A404 PolarHBondContact SG-O 2.91Å; C394-P406 VanDerWaalsContact SG-CD 3.56Å
395	L	98.3	Very high	96	Very high	44 Å²	44	47.2 Å²	47.2	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-41.7	170.8	-71.1	175.1	0	0	0	111.4	L58 P59 W391 K392 V393 R398 D399	L58-L395 HydrophobicContact CD1-CD2 3.79Å; L58-L395 HydrophobicContact CD1-CG 4.36Å; P59-L395 HydrophobicContact CG-CD2 4.09Å; W391-L395 WeakPolarHBondContact O-CG 3.48Å; W391-L395 PolarHBondContact O-N 3.19Å; K392-L395 PolarHBondContact O-N 3.44Å; V393-L395 PolarHBondContact O-N 2.88Å; L395-R398 WeakPolarHBondContact O-CB 3.42Å; L395-R398 PolarHBondContact O-N 2.81Å; L395-D399 PolarHBondContact O-N 2.91Å
396	R	98.4	Very high	96.1	Very high	74 Å²	74	44.4 Å²	44.4	28%	0.279	21%	0.212	S	C	.	.	H	α-helix	trans	-71.9	-37.5	178.4	-168.3	167.7	-63.4	176	-8.3	113.3	K392 V393 C394 R398 D399 N400 S438 F439	K392-R396 PolarHBondContact O-N 3.08Å; V393-R396 PolarHBondContact O-N 2.9Å; V393-R396 VanDerWaalsContact O-N 3.12Å; C394-R396 VanDerWaalsContact C-N 3.31Å; C394-R396 PolarHBondContact O-N 2.97Å; R396-R398 VanDerWaalsContact C-N 3.3Å; R396-R398 PolarHBondContact O-N 2.94Å; R396-D399 PolarHBondContact O-N 3.28Å; R396-N400 PolarHBondContact O-N 3.17Å; R396-N400 PolarHBondContact O-ND2 3.26Å; R396-S438 WeakPolarHBondContact CD-OG 3.37Å; R396-S438 PolarHBondContact NH1-O 2.96Å; R396-S438 PolarHBondContact NH1-OG 3.05Å; R396-F439 HydrophobicContact CB-CE2 3.94Å; R396-F439 HydrophobicContact CB-CZ 3.98Å; R396-F439 HydrophobicContact CG-CE2 4.31Å; R396-F439 VanDerWaalsContact CZ-CE1 3.44Å; R396-F439 VanDerWaalsContact NH1-CA 3.33Å; R396-F439 VanDerWaalsContact NH1-CE2 3.31Å
397	L	98.7	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-45.6	171.7	-73.2	166.8	0	0	0	110.3	V393 C394 D399 N400 G401 L402 A404 F414 I432 S435	V393-L397 HydrophobicContact CG1-CD1 4.01Å; V393-L397 HydrophobicContact CG1-CG 4.29Å; V393-L397 WeakPolarHBondContact O-CG 3.35Å; V393-L397 PolarHBondContact O-N 3.4Å; C394-L397 PolarHBondContact O-N 3.4Å; L397-D399 PolarHBondContact O-N 2.99Å; L397-N400 CarbonylContact O-C 3.34Å; L397-N400 PolarHBondContact O-N 3.41Å; L397-N400 VanDerWaalsContact O-N 3.14Å; L397-G401 PolarHBondContact O-N 3.5Å; L397-G401 VanDerWaalsContact O-N 3.11Å; L397-L402 CarbonylContact C-O 3.54Å; L397-L402 HydrophobicContact CB-CD2 4.26Å; L397-L402 WeakPolarHBondContact CB-O 3.15Å; L397-L402 HydrophobicContact CD1-CD2 4.39Å; L397-L402 HydrophobicContact CD2-CD2 4.24Å; L397-L402 PolarHBondContact O-N 2.92Å; L397-L402 VanDerWaalsContact O-O 3.08Å; L397-A404 HydrophobicContact CD1-CB 4.15Å; L397-F414 HydrophobicContact CD1-CE1 4.03Å; L397-F414 HydrophobicContact CD1-CZ 4.27Å; L397-I432 HydrophobicContact CD2-CB 4.42Å; L397-I432 HydrophobicContact CD2-CG1 4.07Å; L397-S435 VanDerWaalsContact CD2-CB 3.5Å
398	R	98.6	Very high	95.8	Very high	43 Å²	43	34.5 Å²	34.5	16%	0.162	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-50.3	174.5	171.5	-154.5	68.4	176.3	-3.2	110.8	L58 P59 V60 Y78 C394 L395 R396 N400 G401 L402 L403	L58-R398 HydrophobicContact CD2-CB 4.18Å; P59-R398 PolarHBondContact O-NH1 3.35Å; V60-R398 HydrophobicContact CG2-CG 3.54Å; Y78-R398 HydrophobicContact CE1-CG 3.97Å; Y78-R398 WeakPolarHBondContact CE1-O 3.32Å; C394-R398 PolarHBondContact O-N 3Å; L395-R398 WeakPolarHBondContact O-CB 3.42Å; L395-R398 PolarHBondContact O-N 2.81Å; R396-R398 VanDerWaalsContact C-N 3.3Å; R396-R398 PolarHBondContact O-N 2.94Å; R398-N400 PolarHBondContact O-N 3.48Å; R398-G401 PolarHBondContact O-N 3Å; R398-L402 WeakPolarHBondContact CA-O 3.37Å; R398-L402 PolarHBondContact N-O 3.43Å; R398-L403 HydrophobicContact CB-CD2 3.9Å; R398-L403 HydrophobicContact CG-CD2 3.78Å
399	D	98.6	Very high	95.4	Very high	102 Å²	102	35.4 Å²	35.4	55%	0.545	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-29.3	-178.7	-63	-14.9	0	0	0	112.2	L395 R396 L397	L395-D399 PolarHBondContact O-N 2.91Å; R396-D399 PolarHBondContact O-N 3.28Å; L397-D399 PolarHBondContact O-N 2.99Å
400	N	98.7	Very high	95.3	Very high	48 Å²	48	36.4 Å²	36.4	26%	0.257	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5.3	174.8	-70.9	-45.6	0	0	0	114.4	R396 L397 R398 I431 S435	R396-N400 PolarHBondContact O-N 3.17Å; R396-N400 PolarHBondContact O-ND2 3.26Å; L397-N400 CarbonylContact O-C 3.34Å; L397-N400 PolarHBondContact O-N 3.41Å; L397-N400 VanDerWaalsContact O-N 3.14Å; R398-N400 PolarHBondContact O-N 3.48Å; N400-I431 HydrophobicContact CB-CG2 3.81Å; N400-S435 PolarHBondContact ND2-OG 2.85Å
401	G	98.6	Very high	95.3	Very high	15 Å²	15	37 Å²	37	16%	0.155	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	24.3	174.4	0	0	0	0	0	116	Y78 F79 L397 R398	Y78-G401 CarbonylContact C-O 3.36Å; Y78-G401 WeakPolarHBondContact CA-O 3.42Å; F79-G401 PolarHBondContact N-O 3.4Å; L397-G401 PolarHBondContact O-N 3.5Å; L397-G401 VanDerWaalsContact O-N 3.11Å; R398-G401 PolarHBondContact O-N 3Å
402	L	98.9	Very high	95.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.3	176.5	-174.2	154.5	0	0	0	111.6	F79 F81 L397 R398 A404 F414 I431 I432	F79-L402 HydrophobicContact CB-CB 4.48Å; F79-L402 HydrophobicContact CB-CD1 4.44Å; F79-L402 HydrophobicContact CB-CG 4.21Å; F81-L402 HydrophobicContact CB-CD2 3.77Å; F81-L402 HydrophobicContact CB-CG 4.27Å; F81-L402 HydrophobicContact CD1-CD1 4.34Å; F81-L402 HydrophobicContact CD2-CD1 3.69Å; F81-L402 HydrophobicContact CD2-CD2 4.18Å; F81-L402 HydrophobicContact CD2-CG 3.76Å; F81-L402 HydrophobicContact CE1-CD1 4.44Å; F81-L402 HydrophobicContact CE2-CD1 3.82Å; F81-L402 HydrophobicContact CE2-CG 4.35Å; F81-L402 HydrophobicContact CG-CD1 3.99Å; F81-L402 HydrophobicContact CG-CD2 3.91Å; F81-L402 HydrophobicContact CG-CG 4.01Å; F81-L402 HydrophobicContact CZ-CD1 4.21Å; L397-L402 CarbonylContact C-O 3.54Å; L397-L402 HydrophobicContact CB-CD2 4.26Å; L397-L402 WeakPolarHBondContact CB-O 3.15Å; L397-L402 HydrophobicContact CD1-CD2 4.39Å; L397-L402 HydrophobicContact CD2-CD2 4.24Å; L397-L402 PolarHBondContact O-N 2.92Å; L397-L402 VanDerWaalsContact O-O 3.08Å; R398-L402 WeakPolarHBondContact CA-O 3.37Å; R398-L402 PolarHBondContact N-O 3.43Å; L402-A404 HydrophobicContact CD2-CB 4.02Å; L402-F414 HydrophobicContact CD2-CE1 4.41Å; L402-I431 HydrophobicContact CB-CG2 3.81Å; L402-I431 HydrophobicContact CD1-CG2 4.32Å; L402-I432 HydrophobicContact CD1-CD1 4.11Å; L402-I432 HydrophobicContact CD1-CG1 3.83Å
403	L	98.8	Very high	95.5	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.7	178.8	-57.1	-175.4	0	0	0	110.9	L58 V60 V62 L70 Y78 F79 F81 R398	L58-L403 HydrophobicContact CD2-CD2 4.26Å; V60-L403 HydrophobicContact CG1-CD1 4.28Å; V60-L403 HydrophobicContact CG2-CD2 3.85Å; V62-L403 HydrophobicContact CG2-CD1 4.36Å; L70-L403 HydrophobicContact CD1-CD1 4.03Å; Y78-L403 HydrophobicContact CD1-CD2 3.64Å; Y78-L403 HydrophobicContact CD1-CG 4Å; Y78-L403 HydrophobicContact CD2-CD1 4.4Å; Y78-L403 HydrophobicContact CE1-CD2 4.11Å; Y78-L403 HydrophobicContact CG-CD1 4.12Å; Y78-L403 HydrophobicContact CG-CD2 4Å; Y78-L403 HydrophobicContact CG-CG 3.87Å; F79-L403 PolarHBondContact O-N 3.27Å; F81-L403 CarbonylContact C-O 2.98Å; F81-L403 VanDerWaalsContact CA-O 3.32Å; F81-L403 WeakPolarHBondContact CA-O 3.28Å; F81-L403 WeakPolarHBondContact CB-O 3.44Å; F81-L403 PolarHBondContact N-O 2.96Å; R398-L403 HydrophobicContact CB-CD2 3.9Å; R398-L403 HydrophobicContact CG-CD2 3.78Å
404	A	97.8	Very high	95.5	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.033	16%	0.164	C	C	.	.			trans	-132.7	162.4	169.7	0	0	0	0	0	109.1	F81 C394 L397 L402 I412 F414	F81-A404 HydrophobicContact CB-CB 4.37Å; C394-A404 PolarHBondContact SG-O 2.91Å; L397-A404 HydrophobicContact CD1-CB 4.15Å; L402-A404 HydrophobicContact CD2-CB 4.02Å; A404-I412 HydrophobicContact CB-CG2 4.17Å; A404-F414 HydrophobicContact CB-CD1 4.19Å; A404-F414 HydrophobicContact CB-CE1 4.03Å
405	K	92.8	Very high	95.5	Very high	47 Å²	47	30.5 Å²	30.5	20%	0.204	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.6	178.5	-164.2	-163.9	176.7	-160.6	0	110.3	L82 Y85 R413	L82-K405 HydrophobicContact CD1-CB 4.26Å; L82-K405 HydrophobicContact CD2-CB 4.33Å; Y85-K405 HydrophobicContact CE1-CD 4.36Å; Y85-K405 WeakPolarHBondContact OH-CD 3.47Å; Y85-K405 PolarHBondContact OH-NZ 3.14Å; K405-R413 PolarHBondContact O-N 3.39Å
406	P	92.6	Very high	95.6	Very high	19 Å²	19	28.4 Å²	28.4	12%	0.123	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	150.1	168.5	30.7	-35.8	0	0	0	110.7	A390 W391 C394 I411	A390-P406 HydrophobicContact CB-CB 3.74Å; W391-P406 HydrophobicContact CE3-CG 4.13Å; C394-P406 VanDerWaalsContact SG-CD 3.56Å; P406-I411 CarbonylContact C-O 3.56Å; P406-I411 WeakPolarHBondContact CA-O 3.33Å
407	T	85.4	Confident	95.6	Very high	17 Å²	17	24.9 Å²	24.9	10%	0.104	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-29.8	171.8	-141.8	0	0	0	0	111.3	E235 I411 R413	E235-T407 PolarHBondContact O-OG1 3.4Å; T407-I411 HydrophobicContact CG2-CB 3.8Å; T407-I411 HydrophobicContact CG2-CD1 4.35Å; T407-I411 HydrophobicContact CG2-CG2 3.66Å; T407-I411 PolarHBondContact N-O 2.86Å; T407-R413 PolarHBondContact OG1-NH2 2.85Å
408	H	83.6	Confident	95.6	Very high	98 Å²	98	24.9 Å²	24.9	45%	0.454	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	174.6	178.4	-74.5	78.9	0	0	0	107.1	E235 D410 I411	E235-H408 PolarHBondContact O-CE1 3.34Å; H408-D410 PolarHBondContact O-N 3.11Å; H408-D410 VanDerWaalsContact O-N 3.09Å; H408-I411 HydrophobicContact CB-CD1 4.3Å; H408-I411 PolarHBondContact O-N 3.27Å
409	G	81.9	Confident	95.6	Very high	43 Å²	43	24.4 Å²	24.4	44%	0.443	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-31.8	-171.9	0	0	0	0	0	115.8	A390	A390-G409 WeakPolarHBondContact CB-O 3.43Å; A390-G409 PolarHBondContact N-O 3.05Å
410	D	93.5	Very high	95.6	Very high	54 Å²	54	19.6 Å²	19.6	29%	0.289	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-0.1	-173	64.6	-28.9	0	0	0	114.1	V381 I382 E384 H408	V381-D410 CarbonylContact C-O 3.55Å; V381-D410 WeakPolarHBondContact CA-O 3.32Å; V381-D410 HydrophobicContact CG1-CB 4.5Å; V381-D410 WeakPolarHBondContact CG1-OD2 3.39Å; I382-D410 HydrophobicContact CG1-CB 4.45Å; I382-D410 WeakPolarHBondContact CG1-O 3.34Å; I382-D410 PolarHBondContact N-O 2.82Å; E384-D410 HydrophobicContact CB-CB 4.21Å; H408-D410 PolarHBondContact O-N 3.11Å; H408-D410 VanDerWaalsContact O-N 3.09Å
411	I	97.4	Very high	95.6	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.072	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123	-172.9	-60.7	158.7	0	0	0	111.3	R372 A379 I380 V381 P406 T407 H408	R372-I411 VanDerWaalsContact NH2-CD1 3.32Å; A379-I411 HydrophobicContact CB-CG2 3.89Å; I380-I411 WeakPolarHBondContact O-CA 3.41Å; V381-I411 HydrophobicContact CG1-CG1 4.43Å; V381-I411 HydrophobicContact CG2-CG1 4.22Å; P406-I411 CarbonylContact C-O 3.56Å; P406-I411 WeakPolarHBondContact CA-O 3.33Å; T407-I411 HydrophobicContact CG2-CB 3.8Å; T407-I411 HydrophobicContact CG2-CD1 4.35Å; T407-I411 HydrophobicContact CG2-CG2 3.66Å; T407-I411 PolarHBondContact N-O 2.86Å; H408-I411 HydrophobicContact CB-CD1 4.3Å; H408-I411 PolarHBondContact O-N 3.27Å
412	I	98.2	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.9	176.8	-55.7	168.1	0	0	0	109.5	A379 I380 I382 A390 V393 A404 F414	A379-I412 CarbonylContact C-O 3.34Å; A379-I412 WeakPolarHBondContact CA-O 3.1Å; A379-I412 WeakPolarHBondContact CB-O 3.3Å; I380-I412 HydrophobicContact CD1-CD1 4.28Å; I380-I412 HydrophobicContact CG1-CB 3.95Å; I380-I412 PolarHBondContact N-O 3.21Å; I380-I412 PolarHBondContact O-N 2.9Å; I382-I412 HydrophobicContact CG2-CD1 4.08Å; A390-I412 HydrophobicContact CB-CD1 4.16Å; A390-I412 HydrophobicContact CB-CG1 3.62Å; V393-I412 HydrophobicContact CB-CD1 3.56Å; V393-I412 HydrophobicContact CG1-CD1 3.41Å; V393-I412 VanDerWaalsContact CG1-CD1 3.41Å; V393-I412 HydrophobicContact CG2-CD1 4.15Å; A404-I412 HydrophobicContact CB-CG2 4.17Å; I412-F414 HydrophobicContact CG2-CE1 3.96Å; I412-F414 HydrophobicContact CG2-CE2 4.26Å; I412-F414 HydrophobicContact CG2-CZ 3.8Å
413	R	98.2	Very high	95.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.9	178.1	172	166.2	35.3	-176.1	-15.2	110.7	E235 V238 K405 T407 A415	E235-R413 IonicContact OE2-CZ 2.77Å; E235-R413 IonicContact OE2-NH1 3.56Å; E235-R413 IonicContact OE2-NH2 3.83Å; E235-R413 PolarHBondContact OE2-NH2 3.28Å; E235-R413 VanDerWaalsContact OE2-NH2 3.07Å; V238-R413 HydrophobicContact CG2-CG 4.49Å; K405-R413 PolarHBondContact O-N 3.39Å; T407-R413 PolarHBondContact OG1-NH2 2.85Å; R413-A415 HydrophobicContact CG-CB 4.32Å
414	F	98.7	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	101.7	173.7	-65.2	-57.1	0	0	0	109.5	F81 L356 L360 N378 I380 L397 L402 A404 I412 I432	F81-F414 HydrophobicContact CB-CD1 4.3Å; F81-F414 HydrophobicContact CD1-CB 3.96Å; F81-F414 AromaticContact CD1-CD1 3.75Å; F81-F414 HydrophobicContact CD1-CD1 3.75Å; F81-F414 HydrophobicContact CD1-CG 4.24Å; F81-F414 HydrophobicContact CG-CD1 4.42Å; L356-F414 HydrophobicContact CD2-CB 4.38Å; L360-F414 HydrophobicContact CD1-CD2 3.99Å; L360-F414 HydrophobicContact CD1-CE2 4.37Å; L360-F414 HydrophobicContact CD2-CE2 4.44Å; N378-F414 PolarHBondContact N-O 3.22Å; N378-F414 VanDerWaalsContact N-O 3.11Å; N378-F414 PolarHBondContact O-N 3.25Å; I380-F414 HydrophobicContact CD1-CE2 3.78Å; I380-F414 HydrophobicContact CD1-CZ 4.25Å; I380-F414 HydrophobicContact CG1-CE2 3.78Å; I380-F414 HydrophobicContact CG2-CD2 4.3Å; I380-F414 HydrophobicContact CG2-CE2 3.99Å; L397-F414 HydrophobicContact CD1-CE1 4.03Å; L397-F414 HydrophobicContact CD1-CZ 4.27Å; L402-F414 HydrophobicContact CD2-CE1 4.41Å; A404-F414 HydrophobicContact CB-CD1 4.19Å; A404-F414 HydrophobicContact CB-CE1 4.03Å; I412-F414 HydrophobicContact CG2-CE1 3.96Å; I412-F414 HydrophobicContact CG2-CE2 4.26Å; I412-F414 HydrophobicContact CG2-CZ 3.8Å; F414-I432 HydrophobicContact CD1-CD1 3.98Å; F414-I432 HydrophobicContact CE1-CD1 3.8Å; F414-I432 HydrophobicContact CE1-CG1 3.92Å; F414-I432 HydrophobicContact CE1-CG2 4.48Å; F414-I432 HydrophobicContact CE2-CD1 4.48Å; F414-I432 HydrophobicContact CE2-CG2 4.19Å; F414-I432 HydrophobicContact CG-CD1 4.4Å; F414-I432 HydrophobicContact CZ-CD1 4.07Å; F414-I432 HydrophobicContact CZ-CG1 4.08Å; F414-I432 HydrophobicContact CZ-CG2 3.79Å
415	A	98.7	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-137.6	77.7	-178.9	0	0	0	0	0	110.7	F81 L82 S83 L376 L377 R413	F81-A415 CarbonylContact C-O 2.95Å; F81-A415 CarbonylContact O-C 3.58Å; F81-A415 PolarHBondContact O-N 3.28Å; L82-A415 CarbonylContact C-O 3.44Å; S83-A415 VanDerWaalsContact CB-O 3.25Å; S83-A415 WeakPolarHBondContact CB-O 3.45Å; S83-A415 PolarHBondContact N-O 3.36Å; S83-A415 PolarHBondContact OG-O 2.91Å; L376-A415 VanDerWaalsContact O-CA 3.28Å; L376-A415 WeakPolarHBondContact O-CA 3.22Å; L377-A415 HydrophobicContact CD1-CB 4.35Å; R413-A415 HydrophobicContact CG-CB 4.32Å
416	P	98.9	Very high	96	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.			trans	-73.5	164	178.2	31.8	-36.3	0	0	0	112.5	D80 F81 S83 R271 L376 I420	D80-P416 WeakPolarHBondContact O-CA 3.24Å; F81-P416 HydrophobicContact CD1-CB 4.3Å; F81-P416 HydrophobicContact CD1-CG 4.29Å; F81-P416 HydrophobicContact CD2-CB 4.05Å; F81-P416 HydrophobicContact CE1-CB 4.2Å; F81-P416 HydrophobicContact CE1-CG 3.98Å; F81-P416 HydrophobicContact CE2-CB 3.93Å; F81-P416 HydrophobicContact CG-CB 4.22Å; F81-P416 HydrophobicContact CZ-CB 3.99Å; F81-P416 HydrophobicContact CZ-CG 4.07Å; S83-P416 WeakPolarHBondContact OG-CA 3.39Å; S83-P416 PolarHBondContact OG-O 3.45Å; R271-P416 PolarHBondContact NH1-O 3.04Å; R271-P416 PolarHBondContact NH2-O 2.81Å; L376-P416 HydrophobicContact CD1-CG 4.43Å; L376-P416 HydrophobicContact CD2-CG 4.05Å; P416-I420 HydrophobicContact CB-CD1 4.12Å; P416-I420 HydrophobicContact CG-CD1 4.45Å; P416-I420 HydrophobicContact CG-CG2 4.37Å
417	P	98.9	Very high	96.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.			trans	-60.3	145.5	173.4	-27.5	37.9	0	0	0	110.7	I68 D80 S83 V88 V419 I420	I68-P417 HydrophobicContact CG2-CB 4.15Å; I68-P417 HydrophobicContact CG2-CG 4.39Å; D80-P417 WeakPolarHBondContact O-CD 3.39Å; S83-P417 WeakPolarHBondContact OG-CD 3.47Å; S83-P417 WeakPolarHBondContact OG-CG 3.5Å; V88-P417 HydrophobicContact CG2-CG 4.48Å; V88-P417 WeakPolarHBondContact O-CB 3.35Å; P417-V419 HydrophobicContact CB-CG2 4.07Å; P417-V419 PolarHBondContact O-N 2.73Å; P417-I420 WeakPolarHBondContact O-CB 3.4Å; P417-I420 VanDerWaalsContact O-CG2 3.26Å; P417-I420 WeakPolarHBondContact O-CG2 3.49Å; P417-I420 PolarHBondContact O-N 2.89Å; P417-I420 VanDerWaalsContact O-N 3.17Å
418	L	98.9	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.7	-172.7	-51.4	-174.6	0	0	0	112.9	S89 A270 L340 L345 N348 A349 L376 I420	S89-L418 WeakPolarHBondContact O-CA 3.48Å; S89-L418 WeakPolarHBondContact O-CB 3.44Å; S89-L418 PolarHBondContact O-N 3.34Å; A270-L418 HydrophobicContact CB-CD1 3.57Å; L340-L418 HydrophobicContact CD2-CD1 4.46Å; L345-L418 HydrophobicContact CB-CB 4Å; L345-L418 HydrophobicContact CB-CD1 4.2Å; L345-L418 HydrophobicContact CD1-CB 4.29Å; L345-L418 HydrophobicContact CD2-CB 4.44Å; L345-L418 HydrophobicContact CG-CB 4.47Å; N348-L418 PolarHBondContact ND2-O 3.09Å; A349-L418 HydrophobicContact CB-CD1 4.48Å; A349-L418 HydrophobicContact CB-CD2 3.92Å; L376-L418 HydrophobicContact CB-CD2 3.76Å; L376-L418 HydrophobicContact CD1-CD2 3.81Å; L376-L418 HydrophobicContact CG-CD2 4.37Å; L418-I420 PolarHBondContact O-N 2.93Å
419	V	98.9	Very high	97.7	Very high	33 Å²	33	32 Å²	32	20%	0.2	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-3	173.7	-61	0	0	0	0	113.4	I68 Q90 L345 P417	I68-V419 HydrophobicContact CG2-CG2 4Å; Q90-V419 WeakPolarHBondContact O-CG1 3.48Å; L345-V419 HydrophobicContact CD1-CG1 4.02Å; L345-V419 HydrophobicContact CD2-CG1 4.1Å; P417-V419 HydrophobicContact CB-CG2 4.07Å; P417-V419 PolarHBondContact O-N 2.73Å
420	I	98.9	Very high	98.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.			trans	-59.1	137.5	176.2	-166.2	165.2	0	0	0	111	I68 F81 N348 L352 L376 P416 P417 L418 E424 L425	I68-I420 HydrophobicContact CD1-CD1 4.19Å; I68-I420 HydrophobicContact CD1-CG1 3.85Å; I68-I420 HydrophobicContact CG2-CB 3.71Å; I68-I420 HydrophobicContact CG2-CG1 4.15Å; F81-I420 HydrophobicContact CE2-CD1 4.3Å; F81-I420 HydrophobicContact CZ-CD1 4.25Å; N348-I420 PolarHBondContact ND2-O 2.95Å; L352-I420 HydrophobicContact CD1-CG2 3.82Å; L352-I420 WeakPolarHBondContact CD1-O 3.49Å; L376-I420 HydrophobicContact CD1-CG2 3.94Å; P416-I420 HydrophobicContact CB-CD1 4.12Å; P416-I420 HydrophobicContact CG-CD1 4.45Å; P416-I420 HydrophobicContact CG-CG2 4.37Å; P417-I420 WeakPolarHBondContact O-CB 3.4Å; P417-I420 VanDerWaalsContact O-CG2 3.26Å; P417-I420 WeakPolarHBondContact O-CG2 3.49Å; P417-I420 PolarHBondContact O-N 2.89Å; P417-I420 VanDerWaalsContact O-N 3.17Å; L418-I420 PolarHBondContact O-N 2.93Å; I420-E424 HydrophobicContact CD1-CB 4.34Å; I420-E424 HydrophobicContact CG1-CB 3.77Å; I420-L425 HydrophobicContact CD1-CB 4.17Å; I420-L425 HydrophobicContact CD1-CD1 4.4Å; I420-L425 HydrophobicContact CG1-CB 4.38Å
421	K	98.9	Very high	98.7	Very high	128 Å²	128	35.1 Å²	35.1	56%	0.557	16%	0.164	S	C	*	.			trans	-89.8	165.2	174.5	-60.1	176.8	-175.6	175.1	0	111.5	D423 E424 L425	K421-D423 WeakPolarHBondContact CB-OD1 3.32Å; K421-D423 PolarHBondContact O-N 2.72Å; K421-E424 HydrophobicContact CB-CG 4.31Å; K421-E424 WeakPolarHBondContact CB-OE2 3.37Å; K421-E424 WeakPolarHBondContact CG-OE2 3.31Å; K421-E424 PolarHBondContact N-OE2 3.09Å; K421-E424 PolarHBondContact O-N 2.59Å; K421-L425 WeakPolarHBondContact O-CB 3.22Å; K421-L425 PolarHBondContact O-N 2.83Å
422	E	98.8	Very high	98.8	Very high	60 Å²	60	34.5 Å²	34.5	28%	0.28	16%	0.161	S	C	.	.	H	α-helix	trans	-64	-39.3	-177.9	-169.1	177.1	146.9	0	0	112.8	K351 L352 I355 L425 R426	K351-E422 WeakPolarHBondContact CE-OE2 3.43Å; K351-E422 IonicContact NZ-OE2 3.78Å; K351-E422 PolarHBondContact NZ-OE2 2.9Å; L352-E422 HydrophobicContact CD2-CB 3.91Å; L352-E422 HydrophobicContact CD2-CG 4.05Å; I355-E422 HydrophobicContact CD1-CG 3.97Å; E422-L425 PolarHBondContact O-N 2.98Å; E422-R426 WeakPolarHBondContact O-CB 3.08Å; E422-R426 VanDerWaalsContact O-CG 3.26Å; E422-R426 WeakPolarHBondContact O-CG 3.36Å; E422-R426 PolarHBondContact O-N 3.04Å; E422-R426 IonicContact OE1-CZ 2.68Å; E422-R426 IonicContact OE1-NE 2.9Å; E422-R426 PolarHBondContact OE1-NE 2.87Å; E422-R426 IonicContact OE1-NH2 3.74Å; E422-R426 PolarHBondContact OE1-NH2 2.78Å
423	D	98.8	Very high	98.8	Very high	108 Å²	108	36.3 Å²	36.3	58%	0.578	17%	0.171	S	C	*	.	H	α-helix	trans	-64.7	-44.6	176.2	56	-54.3	0	0	0	112	K421 L425 R426 E427	K421-D423 WeakPolarHBondContact CB-OD1 3.32Å; K421-D423 PolarHBondContact O-N 2.72Å; D423-L425 VanDerWaalsContact C-N 3.34Å; D423-L425 PolarHBondContact O-N 2.98Å; D423-R426 PolarHBondContact O-N 3.14Å; D423-E427 PolarHBondContact O-N 3.44Å
424	E	98.9	Very high	98.8	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-38.6	175.8	-65.5	172.3	141.8	0	0	112	I68 F79 I420 K421 S428	I68-E424 HydrophobicContact CD1-CB 3.67Å; I68-E424 HydrophobicContact CD1-CG 3.87Å; I68-E424 WeakPolarHBondContact CD1-OE2 3.31Å; F79-E424 HydrophobicContact CE1-CB 4.1Å; I420-E424 HydrophobicContact CD1-CB 4.34Å; I420-E424 HydrophobicContact CG1-CB 3.77Å; K421-E424 HydrophobicContact CB-CG 4.31Å; K421-E424 WeakPolarHBondContact CB-OE2 3.37Å; K421-E424 WeakPolarHBondContact CG-OE2 3.31Å; K421-E424 PolarHBondContact N-OE2 3.09Å; K421-E424 PolarHBondContact O-N 2.59Å; E424-S428 WeakPolarHBondContact O-CB 3.47Å; E424-S428 PolarHBondContact O-N 3.33Å; E424-S428 PolarHBondContact O-OG 3.21Å
425	L	98.9	Very high	98.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-42.3	173.1	178.9	69.2	0	0	0	111.4	F81 L352 I355 L356 I420 K421 E422 D423 S428 I429	F81-L425 HydrophobicContact CZ-CD1 4.29Å; L352-L425 HydrophobicContact CB-CD2 3.85Å; L352-L425 HydrophobicContact CD1-CD2 4.48Å; L352-L425 HydrophobicContact CD2-CD2 4.08Å; L352-L425 HydrophobicContact CG-CD2 4.35Å; L352-L425 WeakPolarHBondContact O-CD2 3.31Å; I355-L425 HydrophobicContact CB-CD2 4.35Å; I355-L425 HydrophobicContact CG2-CD2 4.27Å; L356-L425 HydrophobicContact CB-CD1 4.39Å; L356-L425 HydrophobicContact CB-CD2 4.47Å; L356-L425 HydrophobicContact CD1-CD1 4.28Å; I420-L425 HydrophobicContact CD1-CB 4.17Å; I420-L425 HydrophobicContact CD1-CD1 4.4Å; I420-L425 HydrophobicContact CG1-CB 4.38Å; K421-L425 WeakPolarHBondContact O-CB 3.22Å; K421-L425 PolarHBondContact O-N 2.83Å; E422-L425 PolarHBondContact O-N 2.98Å; D423-L425 VanDerWaalsContact C-N 3.34Å; D423-L425 PolarHBondContact O-N 2.98Å; L425-S428 WeakPolarHBondContact O-CB 3.24Å; L425-S428 PolarHBondContact O-N 3.08Å; L425-I429 HydrophobicContact CD1-CD1 4.35Å; L425-I429 HydrophobicContact CD2-CD1 4.37Å; L425-I429 HydrophobicContact CG-CD1 3.86Å; L425-I429 HydrophobicContact CG-CG1 4.45Å; L425-I429 VanDerWaalsContact O-CG1 3.28Å; L425-I429 WeakPolarHBondContact O-CG1 3.25Å; L425-I429 PolarHBondContact O-N 3.17Å
426	R	98.8	Very high	98.5	Very high	102 Å²	102	42.6 Å²	42.6	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-43.2	178.8	-74.7	176.6	-173.5	-67.6	-1.1	111.7	E422 D423 S428 I429 E430	E422-R426 WeakPolarHBondContact O-CB 3.08Å; E422-R426 VanDerWaalsContact O-CG 3.26Å; E422-R426 WeakPolarHBondContact O-CG 3.36Å; E422-R426 PolarHBondContact O-N 3.04Å; E422-R426 IonicContact OE1-CZ 2.68Å; E422-R426 IonicContact OE1-NE 2.9Å; E422-R426 PolarHBondContact OE1-NE 2.87Å; E422-R426 IonicContact OE1-NH2 3.74Å; E422-R426 PolarHBondContact OE1-NH2 2.78Å; D423-R426 PolarHBondContact O-N 3.14Å; R426-S428 VanDerWaalsContact C-N 3.28Å; R426-S428 PolarHBondContact O-N 3.17Å; R426-I429 PolarHBondContact O-N 3.31Å; R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 2.87Å
427	E	98.9	Very high	98.3	Very high	89 Å²	89	47.3 Å²	47.3	42%	0.416	22%	0.223	S	C	.	.	H	α-helix	trans	-57.2	-44.1	171.4	-176.1	-176.6	168.6	0	0	111.1	F79 D423 I429 E430 I431	F79-E427 HydrophobicContact CE2-CG 3.99Å; F79-E427 HydrophobicContact CZ-CB 4.28Å; F79-E427 HydrophobicContact CZ-CG 4.12Å; D423-E427 PolarHBondContact O-N 3.44Å; E427-I429 PolarHBondContact O-N 3.32Å; E427-E430 WeakPolarHBondContact O-CB 3.44Å; E427-E430 PolarHBondContact O-N 3.07Å; E427-I431 PolarHBondContact O-N 3.23Å; E427-I431 VanDerWaalsContact O-N 3.1Å
428	S	98.8	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-38.9	177.5	-57.1	0	0	0	0	112.7	F79 F81 E424 L425 R426 E430 I431 I432	F79-S428 WeakPolarHBondContact CD1-OG 3.18Å; F79-S428 WeakPolarHBondContact CG-OG 3.2Å; F81-S428 VanDerWaalsContact CE2-CB 3.47Å; F81-S428 VanDerWaalsContact CE2-OG 3.29Å; F81-S428 WeakPolarHBondContact CE2-OG 3.25Å; F81-S428 WeakPolarHBondContact CZ-OG 3.15Å; E424-S428 WeakPolarHBondContact O-CB 3.47Å; E424-S428 PolarHBondContact O-N 3.33Å; E424-S428 PolarHBondContact O-OG 3.21Å; L425-S428 WeakPolarHBondContact O-CB 3.24Å; L425-S428 PolarHBondContact O-N 3.08Å; R426-S428 VanDerWaalsContact C-N 3.28Å; R426-S428 PolarHBondContact O-N 3.17Å; S428-E430 VanDerWaalsContact C-N 3.34Å; S428-I431 WeakPolarHBondContact O-CB 3.44Å; S428-I431 PolarHBondContact O-N 3.24Å; S428-I432 VanDerWaalsContact O-CG1 3.28Å; S428-I432 WeakPolarHBondContact O-CG1 3.5Å; S428-I432 PolarHBondContact O-N 3.3Å
429	I	98.8	Very high	97.6	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-40.1	175.6	-73	164.3	0	0	0	110.8	I355 L356 E359 L425 R426 E427 I431 I432 N433	I355-I429 HydrophobicContact CG2-CD1 4.38Å; L356-I429 HydrophobicContact CD1-CD1 4.09Å; L356-I429 HydrophobicContact CD1-CG1 3.76Å; E359-I429 HydrophobicContact CB-CD1 4.06Å; E359-I429 HydrophobicContact CB-CG2 3.7Å; E359-I429 HydrophobicContact CG-CD1 4Å; E359-I429 HydrophobicContact CG-CG2 4.18Å; L425-I429 HydrophobicContact CD1-CD1 4.35Å; L425-I429 HydrophobicContact CD2-CD1 4.37Å; L425-I429 HydrophobicContact CG-CD1 3.86Å; L425-I429 HydrophobicContact CG-CG1 4.45Å; L425-I429 VanDerWaalsContact O-CG1 3.28Å; L425-I429 WeakPolarHBondContact O-CG1 3.25Å; L425-I429 PolarHBondContact O-N 3.17Å; R426-I429 PolarHBondContact O-N 3.31Å; E427-I429 PolarHBondContact O-N 3.32Å; I429-I431 VanDerWaalsContact C-N 3.33Å; I429-I431 PolarHBondContact O-N 3.15Å; I429-I432 PolarHBondContact O-N 3.25Å; I429-N433 WeakPolarHBondContact O-CB 3.22Å; I429-N433 VanDerWaalsContact O-CG 3.32Å; I429-N433 PolarHBondContact O-N 2.69Å
430	E	98.8	Very high	97.6	Very high	136 Å²	136	57 Å²	57	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-60.5	-43.1	174.1	-70.5	178.1	174.1	0	0	111.5	R426 E427 S428 N433 K434	R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 2.87Å; E427-E430 WeakPolarHBondContact O-CB 3.44Å; E427-E430 PolarHBondContact O-N 3.07Å; S428-E430 VanDerWaalsContact C-N 3.34Å; E430-N433 PolarHBondContact O-N 2.91Å; E430-K434 VanDerWaalsContact O-CB 3.26Å; E430-K434 WeakPolarHBondContact O-CB 3.38Å; E430-K434 PolarHBondContact O-N 3.19Å
431	I	98.8	Very high	97.5	Very high	26 Å²	26	59.9 Å²	59.9	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-44.4	174.2	-67.9	167.3	0	0	0	111	F79 N400 L402 E427 S428 I429 S435	F79-I431 HydrophobicContact CD2-CD1 3.98Å; F79-I431 HydrophobicContact CE2-CD1 4.02Å; N400-I431 HydrophobicContact CB-CG2 3.81Å; L402-I431 HydrophobicContact CB-CG2 3.81Å; L402-I431 HydrophobicContact CD1-CG2 4.32Å; E427-I431 PolarHBondContact O-N 3.23Å; E427-I431 VanDerWaalsContact O-N 3.1Å; S428-I431 WeakPolarHBondContact O-CB 3.44Å; S428-I431 PolarHBondContact O-N 3.24Å; I429-I431 VanDerWaalsContact C-N 3.33Å; I429-I431 PolarHBondContact O-N 3.15Å; I431-S435 VanDerWaalsContact O-CB 3.29Å; I431-S435 WeakPolarHBondContact O-CB 3.45Å; I431-S435 PolarHBondContact O-N 3.05Å; I431-S435 PolarHBondContact O-OG 2.79Å
432	I	98.7	Very high	97.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-51	178.9	-67.8	163.4	0	0	0	110.3	F81 L360 L397 L402 F414 S428 I429 K434 S435 I436	F81-I432 HydrophobicContact CD1-CD1 4.32Å; F81-I432 HydrophobicContact CE1-CD1 4.02Å; L360-I432 HydrophobicContact CD2-CG2 3.65Å; L397-I432 HydrophobicContact CD2-CB 4.42Å; L397-I432 HydrophobicContact CD2-CG1 4.07Å; L402-I432 HydrophobicContact CD1-CD1 4.11Å; L402-I432 HydrophobicContact CD1-CG1 3.83Å; F414-I432 HydrophobicContact CD1-CD1 3.98Å; F414-I432 HydrophobicContact CE1-CD1 3.8Å; F414-I432 HydrophobicContact CE1-CG1 3.92Å; F414-I432 HydrophobicContact CE1-CG2 4.48Å; F414-I432 HydrophobicContact CE2-CD1 4.48Å; F414-I432 HydrophobicContact CE2-CG2 4.19Å; F414-I432 HydrophobicContact CG-CD1 4.4Å; F414-I432 HydrophobicContact CZ-CD1 4.07Å; F414-I432 HydrophobicContact CZ-CG1 4.08Å; F414-I432 HydrophobicContact CZ-CG2 3.79Å; S428-I432 VanDerWaalsContact O-CG1 3.28Å; S428-I432 WeakPolarHBondContact O-CG1 3.5Å; S428-I432 PolarHBondContact O-N 3.3Å; I429-I432 PolarHBondContact O-N 3.25Å; I432-K434 PolarHBondContact O-N 3.47Å; I432-S435 PolarHBondContact O-N 2.9Å; I432-I436 HydrophobicContact CG2-CD1 3.68Å; I432-I436 HydrophobicContact CG2-CG1 4.44Å; I432-I436 WeakPolarHBondContact O-CG1 3.48Å; I432-I436 PolarHBondContact O-N 2.88Å
433	N	98.1	Very high	97.3	Very high	39 Å²	39	55.9 Å²	55.9	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-48.7	179.7	-72.7	-18.3	0	0	0	111.3	L363 I429 E430 S435 I436 L437	L363-N433 WeakPolarHBondContact CD2-OD1 3.46Å; I429-N433 WeakPolarHBondContact O-CB 3.22Å; I429-N433 VanDerWaalsContact O-CG 3.32Å; I429-N433 PolarHBondContact O-N 2.69Å; E430-N433 PolarHBondContact O-N 2.91Å; N433-S435 VanDerWaalsContact C-N 3.31Å; N433-S435 PolarHBondContact O-N 2.92Å; N433-I436 PolarHBondContact O-N 2.92Å; N433-L437 WeakPolarHBondContact O-CB 3.45Å; N433-L437 VanDerWaalsContact O-CG 3.24Å; N433-L437 WeakPolarHBondContact O-CG 3.19Å; N433-L437 PolarHBondContact O-N 2.79Å
434	K	97.9	Very high	97.2	Very high	132 Å²	132	52.7 Å²	52.7	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-57.2	-44.5	176.6	179.3	-173.7	173.4	-165	0	111.8	E430 I432 S438	E430-K434 VanDerWaalsContact O-CB 3.26Å; E430-K434 WeakPolarHBondContact O-CB 3.38Å; E430-K434 PolarHBondContact O-N 3.19Å; I432-K434 PolarHBondContact O-N 3.47Å; K434-S438 VanDerWaalsContact O-CB 3.3Å; K434-S438 WeakPolarHBondContact O-CB 3.13Å; K434-S438 PolarHBondContact O-N 2.85Å; K434-S438 PolarHBondContact O-OG 3.06Å
435	S	97.8	Very high	97.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-37.7	-176.1	-57.8	0	0	0	0	112.5	L397 N400 I431 I432 N433 S438 F439	L397-S435 VanDerWaalsContact CD2-CB 3.5Å; N400-S435 PolarHBondContact ND2-OG 2.85Å; I431-S435 VanDerWaalsContact O-CB 3.29Å; I431-S435 WeakPolarHBondContact O-CB 3.45Å; I431-S435 PolarHBondContact O-N 3.05Å; I431-S435 PolarHBondContact O-OG 2.79Å; I432-S435 PolarHBondContact O-N 2.9Å; N433-S435 VanDerWaalsContact C-N 3.31Å; N433-S435 PolarHBondContact O-N 2.92Å; S435-S438 PolarHBondContact O-OG 2.97Å; S435-F439 WeakPolarHBondContact O-CD2 3.46Å; S435-F439 WeakPolarHBondContact O-CE2 3.44Å
436	I	95	Very high	97	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-71.9	-46.3	178.3	-71.4	174.8	0	0	0	110.5	L363 V367 V368 I380 V393 I432 N433 S438	L363-I436 HydrophobicContact CD1-CD1 3.59Å; L363-I436 HydrophobicContact CD1-CG2 4.42Å; L363-I436 HydrophobicContact CD2-CB 4.46Å; L363-I436 HydrophobicContact CD2-CG2 4.15Å; V367-I436 HydrophobicContact CG1-CG2 3.48Å; V367-I436 VanDerWaalsContact CG1-CG2 3.48Å; V368-I436 HydrophobicContact CG2-CG2 4.41Å; I380-I436 HydrophobicContact CD1-CD1 3.44Å; I380-I436 VanDerWaalsContact CD1-CD1 3.44Å; V393-I436 HydrophobicContact CG1-CG1 4.14Å; I432-I436 HydrophobicContact CG2-CD1 3.68Å; I432-I436 HydrophobicContact CG2-CG1 4.44Å; I432-I436 WeakPolarHBondContact O-CG1 3.48Å; I432-I436 PolarHBondContact O-N 2.88Å; N433-I436 PolarHBondContact O-N 2.92Å; I436-S438 VanDerWaalsContact C-N 3.28Å; I436-S438 PolarHBondContact O-N 2.84Å
437	L	94.7	Very high	96.9	Very high	99 Å²	99	54.5 Å²	54.5	52%	0.518	27%	0.268	S	S	.	.	H	α-helix	trans	-78.3	-7.5	-174.4	-63.1	176.6	0	0	0	114.4	L363 P364 N433 F439	L363-L437 HydrophobicContact CD2-CD1 4.38Å; L363-L437 HydrophobicContact CD2-CD2 4.12Å; L363-L437 HydrophobicContact CD2-CG 4.09Å; P364-L437 HydrophobicContact CG-CD2 3.89Å; N433-L437 WeakPolarHBondContact O-CB 3.45Å; N433-L437 VanDerWaalsContact O-CG 3.24Å; N433-L437 WeakPolarHBondContact O-CG 3.19Å; N433-L437 PolarHBondContact O-N 2.79Å; L437-F439 VanDerWaalsContact C-N 3.3Å
438	S	93.3	Very high	96.7	Very high	64 Å²	64	51.6 Å²	51.6	45%	0.448	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.4	177.7	78.5	0	0	0	0	113.7	R396 K434 S435 I436	R396-S438 WeakPolarHBondContact CD-OG 3.37Å; R396-S438 PolarHBondContact NH1-O 2.96Å; R396-S438 PolarHBondContact NH1-OG 3.05Å; K434-S438 VanDerWaalsContact O-CB 3.3Å; K434-S438 WeakPolarHBondContact O-CB 3.13Å; K434-S438 PolarHBondContact O-N 2.85Å; K434-S438 PolarHBondContact O-OG 3.06Å; S435-S438 PolarHBondContact O-OG 2.97Å; I436-S438 VanDerWaalsContact C-N 3.28Å; I436-S438 PolarHBondContact O-N 2.84Å
439	F	89.7	Confident	96.5	Very high	114 Å²	114	56.3 Å²	56.3	50%	0.5	28%	0.278	S	S	.	.			trans	-84.4	0	178.6	-85.8	-84	0	0	0	113.1	Y388 K392 V393 R396 S435 L437	Y388-F439 HydrophobicContact CD2-CB 3.98Å; Y388-F439 AromaticContact CD2-CD1 3.41Å; Y388-F439 HydrophobicContact CD2-CD1 3.41Å; Y388-F439 VanDerWaalsContact CD2-CD1 3.41Å; Y388-F439 HydrophobicContact CD2-CD2 4.23Å; Y388-F439 AromaticContact CD2-CE1 3.88Å; Y388-F439 HydrophobicContact CD2-CE1 3.88Å; Y388-F439 AromaticContact CD2-CG 3.6Å; Y388-F439 HydrophobicContact CD2-CG 3.6Å; Y388-F439 HydrophobicContact CD2-CZ 4.47Å; Y388-F439 HydrophobicContact CE2-CB 3.7Å; Y388-F439 AromaticContact CE2-CD1 3.54Å; Y388-F439 HydrophobicContact CE2-CD1 3.54Å; Y388-F439 AromaticContact CE2-CD2 3.46Å; Y388-F439 HydrophobicContact CE2-CD2 3.46Å; Y388-F439 VanDerWaalsContact CE2-CD2 3.46Å; Y388-F439 AromaticContact CE2-CE1 3.98Å; Y388-F439 HydrophobicContact CE2-CE1 3.98Å; Y388-F439 AromaticContact CE2-CE2 3.91Å; Y388-F439 HydrophobicContact CE2-CE2 3.91Å; Y388-F439 AromaticContact CE2-CG 3.25Å; Y388-F439 HydrophobicContact CE2-CG 3.25Å; Y388-F439 HydrophobicContact CE2-CZ 4.15Å; K392-F439 HydrophobicContact CB-CE1 4.03Å; K392-F439 HydrophobicContact CB-CZ 4.1Å; V393-F439 HydrophobicContact CB-CE2 4.38Å; V393-F439 HydrophobicContact CG2-CD2 4.43Å; V393-F439 HydrophobicContact CG2-CE2 3.96Å; V393-F439 HydrophobicContact CG2-CZ 4.33Å; R396-F439 HydrophobicContact CB-CE2 3.94Å; R396-F439 HydrophobicContact CB-CZ 3.98Å; R396-F439 HydrophobicContact CG-CE2 4.31Å; R396-F439 VanDerWaalsContact CZ-CE1 3.44Å; R396-F439 VanDerWaalsContact NH1-CA 3.33Å; R396-F439 VanDerWaalsContact NH1-CE2 3.31Å; S435-F439 WeakPolarHBondContact O-CD2 3.46Å; S435-F439 WeakPolarHBondContact O-CE2 3.44Å; L437-F439 VanDerWaalsContact C-N 3.3Å

Retrieved 439 of 439 residues in 151.9 ms (Link to these results)

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