A0A060XSU3_ONCMY Loading...

Anterior gradient 2

AlphaFold DB , UniProt , Accession A0A060XSU3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene agr2, Length 171 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	45.9	Very low	248 Å²	248	155.3 Å²	155.3	100%	1.222	84%	0.841	S	S	*	*				0	109.2	0	-73.1	159.5	69.8	0	0	107.2
2	I	41	Very low	45.8	Very low	160 Å²	160	154.6 Å²	154.6	82%	0.821	84%	0.835	S	S	*	*			trans	-81.1	157.8	-173.8	-55.8	162.4	0	0	0	107.7
3	R	40.9	Very low	45.7	Very low	241 Å²	241	152.5 Å²	152.5	91%	0.909	83%	0.83	S	S	*	*			trans	111.8	83.5	153.4	-58.1	178.9	171.5	172.4	-3.9	114.3
4	G	43.8	Very low	45.6	Very low	67 Å²	67	148.1 Å²	148.1	69%	0.691	83%	0.825	S	S	*	*			trans	-131.7	124.3	156.3	0	0	0	0	0	108.9
5	L	53.4	Low	45.6	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	82%	0.822	S	S	*	*			trans	54.8	109.3	161.3	-76.7	85.9	0	0	0	118.1
6	L	41.3	Very low	45.6	Very low	159 Å²	159	145 Å²	145	83%	0.832	82%	0.819	S	S	*	*				176.8	70	117.1	-91.2	146.6	0	0	0	107.7
7	S	55.3	Low	45.5	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	82%	0.818	S	S	*	*			trans	-62.7	141.2	147.7	-176.3	0	0	0	0	107.1
8	V	51.2	Low	45.4	Very low	124 Å²	124	142.9 Å²	142.9	75%	0.752	82%	0.82	S	S	*	*	S	Bend	trans	78.4	63.8	173.5	-157.2	0	0	0	0	115.5
9	L	48.2	Very low	45.5	Very low	154 Å²	154	141.2 Å²	141.2	81%	0.806	82%	0.817	S	S	*	*	S	Bend	trans	-165.4	142.2	141.6	-131.9	76.1	0	0	0	108.4
10	L	43.3	Very low	45.4	Very low	134 Å²	134	139 Å²	139	70%	0.702	81%	0.81	S	S	*	*			trans	88.6	38.6	179.3	-65	153.3	0	0	0	117.9	V13	L10-V13 HydrophobicContact CD2-CG2 4.18Å
11	V	46.8	Very low	45.6	Very low	147 Å²	147	140.3 Å²	140.3	89%	0.891	81%	0.813	S	S	*	*			trans	-85.3	24.7	145.6	-179.8	0	0	0	0	110.6
12	L	44.9	Very low	45.6	Very low	147 Å²	147	132.4 Å²	132.4	77%	0.77	79%	0.787	S	S	*	*			trans	-108.9	31.6	179.2	-83.2	167.5	0	0	0	113
13	V	44.6	Very low	45.8	Very low	127 Å²	127	133.1 Å²	133.1	77%	0.77	78%	0.784	S	S	*	*			trans	-113	44.2	170.9	-166.8	0	0	0	0	110.3	L10	L10-V13 HydrophobicContact CD2-CG2 4.18Å
14	A	43.5	Very low	45.7	Very low	91 Å²	91	127.4 Å²	127.4	75%	0.752	78%	0.779	S	S	*	*			trans	-118	29.7	173.9	0	0	0	0	0	112.3
15	I	45.4	Very low	45.5	Very low	153 Å²	153	132.2 Å²	132.2	79%	0.785	78%	0.783	S	S	*	*			trans	-140	70.8	175.9	-46.8	174.6	0	0	0	109.5
16	A	46	Very low	44.9	Very low	94 Å²	94	133.5 Å²	133.5	78%	0.777	78%	0.781	S	S	*	*			trans	-167.7	47	163.7	0	0	0	0	0	113.9
17	V	43.6	Very low	44.8	Very low	132 Å²	132	133 Å²	133	80%	0.8	78%	0.78	S	S	*	*			trans	-145	69.9	157.2	-166.9	0	0	0	0	109.5	S19	V17-S19 VanDerWaalsContact C-N 3.27Å; V17-S19 PolarHBondContact O-N 3.17Å; V17-S19 VanDerWaalsContact O-N 3.17Å
18	S	43.8	Very low	44.5	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	77%	0.773	S	S	*	*			trans	-80.6	81.2	161.1	-65.1	0	0	0	0	108.2	S20	S18-S20 PolarHBondContact O-N 2.83Å; S18-S20 VanDerWaalsContact O-N 3.08Å
19	S	47.7	Very low	44.2	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	77%	0.767	S	S	*	*			trans	-78.9	74.4	165.3	58.2	0	0	0	0	109.2	V17	V17-S19 VanDerWaalsContact C-N 3.27Å; V17-S19 PolarHBondContact O-N 3.17Å; V17-S19 VanDerWaalsContact O-N 3.17Å
20	S	43.7	Very low	44.1	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	77%	0.772	S	S	*	*			trans	-90.8	92.4	159.9	51.1	0	0	0	0	108.2	S18 A22	S18-S20 PolarHBondContact O-N 2.83Å; S18-S20 VanDerWaalsContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 3.08Å
21	L	48.5	Very low	44.8	Very low	167 Å²	167	135.6 Å²	135.6	87%	0.874	77%	0.769	S	S	*	*			trans	-70	73.5	159.8	-170.1	67.5	0	0	0	107.7	K23	L21-K23 PolarHBondContact O-N 3.12Å; L21-K23 VanDerWaalsContact O-N 3.12Å
22	A	41.4	Very low	45	Very low	82 Å²	82	131.3 Å²	131.3	68%	0.678	75%	0.754	S	S	*	*			trans	-74.4	97.3	170	0	0	0	0	0	107.4	S20	S20-A22 PolarHBondContact O-N 3.08Å
23	K	43.5	Very low	45.2	Very low	174 Å²	174	134.8 Å²	134.8	76%	0.757	76%	0.763	S	S	*	*			trans	-53	133	158.7	-76.7	172.9	175.7	173.1	0	107.3	L21 E25	L21-K23 PolarHBondContact O-N 3.12Å; L21-K23 VanDerWaalsContact O-N 3.12Å; K23-E25 PolarHBondContact O-N 3.09Å
24	P	40.4	Very low	46.2	Very low	122 Å²	122	131.6 Å²	131.6	79%	0.792	74%	0.737	S	S	*	*			trans	-71.7	91.2	169.6	29.8	-29	0	0	0	106.6	K26	P24-K26 VanDerWaalsContact C-N 3.33Å; P24-K26 PolarHBondContact O-N 3.16Å
25	E	39.5	Very low	46.8	Very low	168 Å²	168	134.4 Å²	134.4	79%	0.785	74%	0.738	S	S	*	*			trans	-59.1	105.9	158.8	-84.2	-172.6	154.1	0	0	106.3	K23 N27	K23-E25 PolarHBondContact O-N 3.09Å; E25-N27 VanDerWaalsContact C-N 3.25Å; E25-N27 PolarHBondContact O-N 3.38Å
26	K	39.9	Very low	47.4	Very low	190 Å²	190	131.3 Å²	131.3	83%	0.826	73%	0.728	S	S	*	*			trans	-54.1	99.4	164.5	-75	-177.9	175	-176.8	0	106.3	P24 I28	P24-K26 VanDerWaalsContact C-N 3.33Å; P24-K26 PolarHBondContact O-N 3.16Å; K26-I28 PolarHBondContact O-N 2.75Å
27	N	40.5	Very low	48.2	Very low	149 Å²	149	130.6 Å²	130.6	80%	0.797	71%	0.708	S	S	*	*			trans	-60.1	92.9	166	-106.3	-86	0	0	0	106.3	E25 A29	E25-N27 VanDerWaalsContact C-N 3.25Å; E25-N27 PolarHBondContact O-N 3.38Å; N27-A29 PolarHBondContact O-N 2.84Å
28	I	48.8	Very low	49.8	Very low	122 Å²	122	130.8 Å²	130.8	63%	0.626	71%	0.71	S	S	*	*			trans	-71.9	83.6	164.7	-56.8	172.9	0	0	0	104.2	K26 K30	K26-I28 PolarHBondContact O-N 2.75Å; I28-K30 PolarHBondContact O-N 2.78Å
29	A	44.8	Very low	51.9	Low	76 Å²	76	126.9 Å²	126.9	63%	0.628	68%	0.68	S	S	*	*			trans	-51.3	114.8	165.5	0	0	0	0	0	106	N27 R31	N27-A29 PolarHBondContact O-N 2.84Å; A29-R31 PolarHBondContact O-N 3.4Å
30	K	45.3	Very low	53.9	Low	208 Å²	208	122 Å²	122	90%	0.904	65%	0.646	S	S	*	*			trans	-61.1	90.5	170.3	-78.1	-175.3	178.6	179.3	0	106.6	I28 G32	I28-K30 PolarHBondContact O-N 2.78Å; K30-G32 PolarHBondContact O-N 3.15Å; K30-G32 VanDerWaalsContact O-N 3.08Å
31	R	57.3	Low	56.3	Low	171 Å²	171	121.1 Å²	121.1	65%	0.645	63%	0.627	S	S	*	*			trans	-58.3	115.6	178.3	-133.6	147.3	168.3	-148.3	12.4	105.3	A29	A29-R31 PolarHBondContact O-N 3.4Å
32	G	51.7	Low	58.4	Low	56 Å²	56	114.7 Å²	114.7	58%	0.577	60%	0.601	S	S	*	*			trans	-52.7	159.6	-176.5	0	0	0	0	0	111.8	K30 R34	K30-G32 PolarHBondContact O-N 3.15Å; K30-G32 VanDerWaalsContact O-N 3.08Å; G32-R34 PolarHBondContact O-N 2.8Å
33	K	50	Low	61	Low	220 Å²	220	110.8 Å²	110.8	96%	0.957	57%	0.569	S	S	*	*			trans	-51.8	105.2	-179.3	-154	176.8	-174.2	-176.2	0	109.1
34	R	63.7	Low	63.4	Low	60 Å²	60	102.6 Å²	102.6	23%	0.226	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-72.4	145.6	-178.3	-60.7	-172.9	-163.9	156	20.8	108.8	G32 P36 I48 D97	G32-R34 PolarHBondContact O-N 2.8Å; R34-P36 WeakPolarHBondContact O-CD 3.12Å; R34-I48 VanDerWaalsContact NH1-CD1 3.28Å; R34-D97 IonicContact CZ-OD1 3.59Å; R34-D97 IonicContact CZ-OD2 3.89Å; R34-D97 IonicContact NH1-OD1 3.66Å; R34-D97 PolarHBondContact NH1-OD1 2.95Å; R34-D97 IonicContact NH1-OD2 2.99Å; R34-D97 IonicContact NH2-OD1 2.71Å; R34-D97 PolarHBondContact NH2-OD1 3.4Å; R34-D97 IonicContact NH2-OD2 2.75Å; R34-D97 PolarHBondContact NH2-OD2 2.86Å
35	I	57.8	Low	65.8	Low	151 Å²	151	100.5 Å²	100.5	77%	0.774	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-63.3	125.1	176.4	-58.9	172.6	0	0	0	107.2	Q37	I35-Q37 PolarHBondContact O-N 2.83Å; I35-Q37 VanDerWaalsContact O-N 3.17Å
36	P	57	Low	68.2	Low	87 Å²	87	97 Å²	97	57%	0.565	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-54.8	122.4	176.8	-25.9	35	0	0	0	110.1	R34 D45	R34-P36 WeakPolarHBondContact O-CD 3.12Å; P36-D45 HydrophobicContact CB-CB 4.28Å
37	Q	63.7	Low	70.7	Confident	79 Å²	79	88.1 Å²	88.1	37%	0.369	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-82.1	133.6	170.4	-65.1	-158.1	-24.4	0	0	108.9	I35 L39 S40	I35-Q37 PolarHBondContact O-N 2.83Å; I35-Q37 VanDerWaalsContact O-N 3.17Å; Q37-L39 PolarHBondContact O-N 2.91Å; Q37-S40 PolarHBondContact O-N 2.89Å; Q37-S40 PolarHBondContact O-OG 2.89Å
38	T	76.2	Confident	73.2	Confident	137 Å²	137	84.6 Å²	84.6	84%	0.84	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-61.8	-14.4	175.3	53.1	0	0	0	0	112.8	S40	T38-S40 VanDerWaalsContact C-N 3.29Å; T38-S40 PolarHBondContact O-N 3.32Å
39	L	87.9	Confident	75.5	Confident	39 Å²	39	78.9 Å²	78.9	20%	0.204	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-72.1	-15.8	178.8	-63.1	177.6	0	0	0	114	Q37 R41 W49 Q51 N104	Q37-L39 PolarHBondContact O-N 2.91Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3.04Å; L39-W49 HydrophobicContact CB-CB 3.87Å; L39-Q51 HydrophobicContact CD1-CB 4.05Å; L39-Q51 HydrophobicContact CD1-CG 4.41Å; L39-Q51 HydrophobicContact CD2-CG 4.37Å; L39-N104 PolarHBondContact O-ND2 2.97Å
40	S	90.1	Very high	77.9	Confident	7 Å²	7	75.4 Å²	75.4	5%	0.049	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-64.9	-31.5	-177.4	71.6	0	0	0	0	113.4	Q37 T38 G42 W43 D45	Q37-S40 PolarHBondContact O-N 2.89Å; Q37-S40 PolarHBondContact O-OG 2.89Å; T38-S40 VanDerWaalsContact C-N 3.29Å; T38-S40 PolarHBondContact O-N 3.32Å; S40-G42 PolarHBondContact O-N 3.41Å; S40-G42 PolarHBondContact OG-N 3.17Å; S40-W43 WeakPolarHBondContact O-CB 3.39Å; S40-W43 PolarHBondContact O-N 3.14Å; S40-D45 WeakPolarHBondContact CB-OD1 3.46Å; S40-D45 PolarHBondContact OG-OD1 3.36Å
41	R	93.2	Very high	80.1	Confident	78 Å²	78	71.7 Å²	71.7	29%	0.294	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	22.2	-173.6	-56.9	-172	178.7	83.3	1.6	114.3	L39 K83 N104	L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3.04Å; R41-K83 WeakPolarHBondContact O-CD 3.31Å; R41-K83 WeakPolarHBondContact O-CE 3.28Å; R41-K83 PolarHBondContact O-NZ 3.24Å; R41-N104 WeakPolarHBondContact CD-OD1 3.47Å; R41-N104 PolarHBondContact NH1-O 3.05Å; R41-N104 PolarHBondContact NH1-OD1 3.38Å
42	G	93.3	Very high	81.9	Confident	32 Å²	32	65.8 Å²	65.8	33%	0.33	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	7.4	-177.3	0	0	0	0	0	115.8	S40 G44 K83 A87	S40-G42 PolarHBondContact O-N 3.41Å; S40-G42 PolarHBondContact OG-N 3.17Å; G42-G44 VanDerWaalsContact C-N 3.33Å; G42-K83 WeakPolarHBondContact O-CG 3.37Å; G42-A87 WeakPolarHBondContact O-CB 3.43Å
43	W	95.8	Very high	84	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-81.8	-7.6	174	-71.7	92.7	0	0	0	113.5	S40 W49 I70 H72 M82 K83 F86 Q93	S40-W43 WeakPolarHBondContact O-CB 3.39Å; S40-W43 PolarHBondContact O-N 3.14Å; W43-W49 HydrophobicContact CB-CH2 3.56Å; W43-W49 HydrophobicContact CB-CZ2 3.44Å; W43-W49 VanDerWaalsContact CB-CZ2 3.44Å; W43-W49 HydrophobicContact CG-CH2 4.31Å; W43-I70 HydrophobicContact CD2-CD1 4.08Å; W43-I70 HydrophobicContact CD2-CG2 4.21Å; W43-I70 HydrophobicContact CE3-CD1 3.79Å; W43-I70 HydrophobicContact CE3-CG2 4.29Å; W43-I70 HydrophobicContact CH2-CG2 3.65Å; W43-I70 HydrophobicContact CZ2-CG2 3.52Å; W43-I70 HydrophobicContact CZ3-CD1 4.2Å; W43-I70 HydrophobicContact CZ3-CG2 4.03Å; W43-H72 AromaticContact CD1-NE2 3.95Å; W43-H72 HydrophobicContact CZ2-CB 3.87Å; W43-H72 AromaticContact NE1-CD2 3.37Å; W43-H72 PolarHBondContact NE1-CD2 3.17Å; W43-H72 AromaticContact NE1-CE1 3.61Å; W43-H72 AromaticContact NE1-CG 3.51Å; W43-H72 AromaticContact NE1-ND1 3.63Å; W43-H72 AromaticContact NE1-NE2 3.43Å; W43-H72 PolarHBondContact NE1-NE2 2.97Å; W43-M82 HydrophobicContact CH2-CB 4.27Å; W43-M82 HydrophobicContact CH2-CG 4.07Å; W43-M82 HydrophobicContact CZ3-CG 4.25Å; W43-K83 HydrophobicContact CD2-CB 4.03Å; W43-K83 HydrophobicContact CD2-CD 4.34Å; W43-K83 HydrophobicContact CD2-CG 3.84Å; W43-K83 HydrophobicContact CE3-CB 4.31Å; W43-K83 HydrophobicContact CE3-CG 4.41Å; W43-K83 HydrophobicContact CG-CD 4.13Å; W43-K83 HydrophobicContact CG-CG 3.91Å; W43-K83 HydrophobicContact CH2-CB 4.17Å; W43-K83 HydrophobicContact CZ2-CB 3.88Å; W43-K83 HydrophobicContact CZ2-CG 4.47Å; W43-K83 HydrophobicContact CZ3-CB 4.39Å; W43-F86 HydrophobicContact CB-CD1 4.4Å; W43-F86 HydrophobicContact CE3-CB 3.77Å; W43-F86 AromaticContact CE3-CD1 3.71Å; W43-F86 HydrophobicContact CE3-CD1 3.71Å; W43-F86 HydrophobicContact CE3-CD2 4.22Å; W43-F86 HydrophobicContact CE3-CE1 4.37Å; W43-F86 AromaticContact CE3-CG 3.63Å; W43-F86 HydrophobicContact CE3-CG 3.63Å; W43-F86 HydrophobicContact CZ3-CB 3.82Å; W43-F86 HydrophobicContact CZ3-CD1 4.45Å; W43-F86 HydrophobicContact CZ3-CD2 4.23Å; W43-F86 AromaticContact CZ3-CG 3.92Å; W43-F86 HydrophobicContact CZ3-CG 3.92Å; W43-F86 WeakPolarHBondContact O-CD1 3.27Å; W43-F86 VanDerWaalsContact O-CE1 3.24Å; W43-F86 WeakPolarHBondContact O-CE1 3.32Å; W43-Q93 PolarHBondContact O-NE2 3.14Å
44	G	94.3	Very high	86.1	Confident	2 Å²	2	59.6 Å²	59.6	2%	0.021	31%	0.311	C	S	.	.			trans	146.7	95.1	-179.2	0	0	0	0	0	111.1	G42 Q46 L47 W49	G42-G44 VanDerWaalsContact C-N 3.33Å; G44-Q46 PolarHBondContact O-N 2.69Å; G44-L47 WeakPolarHBondContact O-CB 3.46Å; G44-L47 PolarHBondContact O-N 3.39Å; G44-W49 PolarHBondContact O-NE1 3.04Å
45	D	91.6	Very high	87.6	Confident	78 Å²	78	59.7 Å²	59.7	42%	0.417	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.3	-171.8	-64	-10.8	0	0	0	113.1	P36 S40 L47	P36-D45 HydrophobicContact CB-CB 4.28Å; S40-D45 WeakPolarHBondContact CB-OD1 3.46Å; S40-D45 PolarHBondContact OG-OD1 3.36Å; D45-L47 VanDerWaalsContact C-N 3.35Å
46	Q	89.3	Confident	89.5	Confident	94 Å²	94	52.5 Å²	52.5	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.4	175.2	60.1	-86	6.2	0	0	114.2	G44 Q93	G44-Q46 PolarHBondContact O-N 2.69Å; Q46-Q93 VanDerWaalsContact NE2-CD 3.34Å
47	L	92.9	Very high	91.3	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.258	C	S	.	.	S	Bend	trans	-79.4	153.9	-177.5	-54.5	179.7	0	0	0	110.9	G44 D45 W49 F86 A96 D97 V102	G44-L47 WeakPolarHBondContact O-CB 3.46Å; G44-L47 PolarHBondContact O-N 3.39Å; D45-L47 VanDerWaalsContact C-N 3.35Å; L47-W49 HydrophobicContact CD1-CZ2 3.79Å; L47-F86 HydrophobicContact CD1-CE1 4.43Å; L47-A96 HydrophobicContact CD1-CB 3.87Å; L47-A96 HydrophobicContact CD2-CB 4.16Å; L47-D97 HydrophobicContact CD2-CB 3.59Å; L47-V102 HydrophobicContact CB-CG2 4.24Å; L47-V102 HydrophobicContact CD1-CG2 4.42Å
48	I	93.5	Very high	92.9	Very high	75 Å²	75	53.9 Å²	53.9	39%	0.385	27%	0.271	S	S	.	.			trans	-93.7	110.7	171.5	-62.9	166	0	0	0	107.4	R34 W59 V102	R34-I48 VanDerWaalsContact NH1-CD1 3.28Å; I48-W59 HydrophobicContact CG2-CH2 4.35Å; I48-W59 HydrophobicContact CG2-CZ3 4.19Å; I48-V102 WeakPolarHBondContact O-CG2 3.44Å
49	W	95.8	Very high	93.9	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-96	132.4	-176.5	-68.4	89.3	0	0	0	110.5	L39 W43 G44 L47 I70 V102 N104	L39-W49 HydrophobicContact CB-CB 3.87Å; W43-W49 HydrophobicContact CB-CH2 3.56Å; W43-W49 HydrophobicContact CB-CZ2 3.44Å; W43-W49 VanDerWaalsContact CB-CZ2 3.44Å; W43-W49 HydrophobicContact CG-CH2 4.31Å; G44-W49 PolarHBondContact O-NE1 3.04Å; L47-W49 HydrophobicContact CD1-CZ2 3.79Å; W49-I70 HydrophobicContact CH2-CD1 3.91Å; W49-I70 HydrophobicContact CZ3-CD1 4.2Å; W49-V102 HydrophobicContact CD2-CB 4.44Å; W49-V102 HydrophobicContact CD2-CG2 3.82Å; W49-V102 HydrophobicContact CE3-CB 3.84Å; W49-V102 HydrophobicContact CE3-CG2 3.71Å; W49-V102 HydrophobicContact CG-CG2 4.34Å; W49-V102 HydrophobicContact CH2-CB 4.23Å; W49-V102 HydrophobicContact CH2-CG2 4.4Å; W49-V102 HydrophobicContact CZ2-CG2 4.49Å; W49-V102 HydrophobicContact CZ3-CB 3.73Å; W49-V102 HydrophobicContact CZ3-CG2 4.03Å; W49-N104 HydrophobicContact CE3-CB 4.16Å; W49-N104 HydrophobicContact CH2-CB 4.36Å; W49-N104 HydrophobicContact CZ3-CB 3.71Å; W49-N104 WeakPolarHBondContact CZ3-ND2 3.44Å
50	A	95.4	Very high	94.4	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	23%	0.233	C	C	.	.			trans	-68.4	148.3	166.1	0	0	0	0	0	109.9	A56 W59 V102 L103	A50-A56 HydrophobicContact CB-CB 3.56Å; A50-W59 HydrophobicContact CB-CE3 4Å; A50-W59 HydrophobicContact CB-CH2 4.4Å; A50-W59 HydrophobicContact CB-CZ3 3.77Å; A50-V102 PolarHBondContact N-O 2.94Å; A50-L103 HydrophobicContact CB-CD1 4.29Å; A50-L103 VanDerWaalsContact O-CD1 3.25Å; A50-L103 WeakPolarHBondContact O-CD1 3.36Å
51	Q	92.6	Very high	94.7	Very high	129 Å²	129	55.7 Å²	55.7	60%	0.603	26%	0.259	S	S	*	.	S	Bend	trans	-88.2	-38.3	-179.2	-173.7	175.3	-6.7	0	0	112.1	L39 E55	L39-Q51 HydrophobicContact CD1-CB 4.05Å; L39-Q51 HydrophobicContact CD1-CG 4.41Å; L39-Q51 HydrophobicContact CD2-CG 4.37Å; Q51-E55 WeakPolarHBondContact CB-OE2 3.23Å; Q51-E55 PolarHBondContact N-OE2 3.14Å
52	T	94.4	Very high	94.8	Very high	47 Å²	47	55.3 Å²	55.3	29%	0.288	27%	0.273	S	S	.	.	S	Bend	trans	-127.3	164.2	-179.9	86.6	0	0	0	0	112.2	E54 E55 A56	T52-E54 VanDerWaalsContact C-N 3.34Å; T52-E54 VanDerWaalsContact CB-OE2 3.26Å; T52-E54 WeakPolarHBondContact CB-OE2 3.34Å; T52-E54 PolarHBondContact OG1-N 2.94Å; T52-E54 PolarHBondContact OG1-OE2 2.83Å; T52-E55 PolarHBondContact OG1-N 2.84Å; T52-A56 WeakPolarHBondContact O-CB 3.47Å; T52-A56 PolarHBondContact O-N 3.44Å
53	Y	95.1	Very high	95	Very high	23 Å²	23	58.4 Å²	58.4	9%	0.09	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-38.9	178.3	-176.7	-129.6	0	0	0	112	A56 L57 L67 V69 L103 T109 D111 L114	Y53-A56 PolarHBondContact O-N 3.12Å; Y53-L57 HydrophobicContact CD1-CD1 3.95Å; Y53-L57 HydrophobicContact CD2-CD1 4.42Å; Y53-L57 HydrophobicContact CD2-CG 4.19Å; Y53-L57 HydrophobicContact CE1-CD1 3.59Å; Y53-L57 HydrophobicContact CE1-CG 4.3Å; Y53-L57 HydrophobicContact CE2-CD1 4.08Å; Y53-L57 HydrophobicContact CE2-CD2 3.97Å; Y53-L57 HydrophobicContact CE2-CG 3.86Å; Y53-L57 HydrophobicContact CG-CD1 4.36Å; Y53-L57 WeakPolarHBondContact O-CB 3.45Å; Y53-L57 VanDerWaalsContact O-CG 3.31Å; Y53-L57 WeakPolarHBondContact O-CG 3.5Å; Y53-L57 PolarHBondContact O-N 2.88Å; Y53-L67 HydrophobicContact CD2-CD2 4.02Å; Y53-L67 HydrophobicContact CE2-CD2 3.75Å; Y53-V69 HydrophobicContact CD2-CG2 4.38Å; Y53-V69 HydrophobicContact CE2-CG2 4.18Å; Y53-L103 HydrophobicContact CD2-CD2 4.02Å; Y53-T109 HydrophobicContact CG-CG2 4.45Å; Y53-D111 HydrophobicContact CE1-CB 4.25Å; Y53-D111 PolarHBondContact OH-OD2 2.93Å; Y53-L114 HydrophobicContact CD2-CD1 4.3Å; Y53-L114 HydrophobicContact CE1-CD1 4.01Å; Y53-L114 HydrophobicContact CE2-CD1 3.81Å
54	E	94.4	Very high	95	Very high	123 Å²	123	63.4 Å²	63.4	58%	0.575	31%	0.306	S	S	*	.	H	α-helix	trans	-65.7	-43.4	178.8	-55.7	74.2	-162.8	0	0	111.5	T52 A56 L57 Y58	T52-E54 VanDerWaalsContact C-N 3.34Å; T52-E54 VanDerWaalsContact CB-OE2 3.26Å; T52-E54 WeakPolarHBondContact CB-OE2 3.34Å; T52-E54 PolarHBondContact OG1-N 2.94Å; T52-E54 PolarHBondContact OG1-OE2 2.83Å; E54-A56 VanDerWaalsContact C-N 3.34Å; E54-L57 PolarHBondContact O-N 2.85Å; E54-Y58 WeakPolarHBondContact O-CB 3.47Å; E54-Y58 PolarHBondContact O-N 3.4Å
55	E	95.6	Very high	95.1	Very high	63 Å²	63	65.9 Å²	65.9	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-61.5	-44.9	173.5	-179.5	-178.4	-144.9	0	0	111	Q51 T52 L57 Y58 W59	Q51-E55 WeakPolarHBondContact CB-OE2 3.23Å; Q51-E55 PolarHBondContact N-OE2 3.14Å; T52-E55 PolarHBondContact OG1-N 2.84Å; E55-L57 PolarHBondContact O-N 2.6Å; E55-Y58 WeakPolarHBondContact O-CB 3.41Å; E55-Y58 PolarHBondContact O-N 2.95Å; E55-W59 HydrophobicContact CG-CD2 4.25Å; E55-W59 HydrophobicContact CG-CH2 4.43Å; E55-W59 HydrophobicContact CG-CZ2 3.8Å; E55-W59 PolarHBondContact O-N 3.01Å; E55-W59 WeakPolarHBondContact OE1-CZ2 3.21Å
56	A	96.6	Very high	95.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-41.9	179.6	0	0	0	0	0	112.1	A50 T52 Y53 E54 W59 A60 L67 I101 L103	A50-A56 HydrophobicContact CB-CB 3.56Å; T52-A56 WeakPolarHBondContact O-CB 3.47Å; T52-A56 PolarHBondContact O-N 3.44Å; Y53-A56 PolarHBondContact O-N 3.12Å; E54-A56 VanDerWaalsContact C-N 3.34Å; A56-W59 PolarHBondContact O-N 3.08Å; A56-A60 VanDerWaalsContact O-CB 3.3Å; A56-A60 WeakPolarHBondContact O-CB 3.3Å; A56-A60 PolarHBondContact O-N 2.86Å; A56-L67 HydrophobicContact CB-CD1 3.63Å; A56-L67 HydrophobicContact CB-CD2 3.8Å; A56-L67 HydrophobicContact CB-CG 4.38Å; A56-I101 HydrophobicContact CB-CG2 4.27Å; A56-L103 HydrophobicContact CB-CB 4.19Å; A56-L103 HydrophobicContact CB-CD2 4.02Å
57	L	96.4	Very high	95.9	Very high	31 Å²	31	58 Å²	58	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174	-74.1	175.9	0	0	0	111.9	Y53 E54 E55 A60 R61 L67 V127	Y53-L57 HydrophobicContact CD1-CD1 3.95Å; Y53-L57 HydrophobicContact CD2-CD1 4.42Å; Y53-L57 HydrophobicContact CD2-CG 4.19Å; Y53-L57 HydrophobicContact CE1-CD1 3.59Å; Y53-L57 HydrophobicContact CE1-CG 4.3Å; Y53-L57 HydrophobicContact CE2-CD1 4.08Å; Y53-L57 HydrophobicContact CE2-CD2 3.97Å; Y53-L57 HydrophobicContact CE2-CG 3.86Å; Y53-L57 HydrophobicContact CG-CD1 4.36Å; Y53-L57 WeakPolarHBondContact O-CB 3.45Å; Y53-L57 VanDerWaalsContact O-CG 3.31Å; Y53-L57 WeakPolarHBondContact O-CG 3.5Å; Y53-L57 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 2.85Å; E55-L57 PolarHBondContact O-N 2.6Å; L57-A60 PolarHBondContact O-N 3.32Å; L57-R61 PolarHBondContact O-N 2.8Å; L57-L67 HydrophobicContact CD2-CD2 3.98Å; L57-L67 HydrophobicContact CG-CD2 4.31Å; L57-V127 HydrophobicContact CD2-CG1 4Å
58	Y	96.8	Very high	96.1	Very high	164 Å²	164	57.8 Å²	57.8	64%	0.643	28%	0.276	S	S	*	.	H	α-helix	trans	-60.3	-47.4	175.1	173.3	-103.8	0	0	0	111.1	E54 E55 R61 A62	E54-Y58 WeakPolarHBondContact O-CB 3.47Å; E54-Y58 PolarHBondContact O-N 3.4Å; E55-Y58 WeakPolarHBondContact O-CB 3.41Å; E55-Y58 PolarHBondContact O-N 2.95Å; Y58-R61 PolarHBondContact O-N 3.36Å; Y58-A62 VanDerWaalsContact O-CB 3.25Å; Y58-A62 WeakPolarHBondContact O-CB 3.34Å; Y58-A62 PolarHBondContact O-N 3.36Å
59	W	97.4	Very high	96.4	Very high	59 Å²	59	54.2 Å²	54.2	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-41.1	175.9	-68.8	-2.5	0	0	0	112.7	I48 A50 E55 A56 R61 A62 Q63 I101	I48-W59 HydrophobicContact CG2-CH2 4.35Å; I48-W59 HydrophobicContact CG2-CZ3 4.19Å; A50-W59 HydrophobicContact CB-CE3 4Å; A50-W59 HydrophobicContact CB-CH2 4.4Å; A50-W59 HydrophobicContact CB-CZ3 3.77Å; E55-W59 HydrophobicContact CG-CD2 4.25Å; E55-W59 HydrophobicContact CG-CH2 4.43Å; E55-W59 HydrophobicContact CG-CZ2 3.8Å; E55-W59 PolarHBondContact O-N 3.01Å; E55-W59 WeakPolarHBondContact OE1-CZ2 3.21Å; A56-W59 PolarHBondContact O-N 3.08Å; W59-R61 VanDerWaalsContact C-N 3.32Å; W59-R61 PolarHBondContact O-N 3.09Å; W59-A62 PolarHBondContact O-N 3.15Å; W59-Q63 VanDerWaalsContact O-CB 3.32Å; W59-Q63 WeakPolarHBondContact O-CB 3.47Å; W59-Q63 WeakPolarHBondContact O-CG 3.44Å; W59-Q63 PolarHBondContact O-N 3.44Å; W59-I101 HydrophobicContact CB-CD1 4.01Å; W59-I101 HydrophobicContact CB-CG1 4.13Å; W59-I101 HydrophobicContact CB-CG2 4.16Å; W59-I101 HydrophobicContact CE3-CG2 4.04Å
60	A	97	Very high	96.5	Very high	2 Å²	2	54 Å²	54	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-46.2	179	0	0	0	0	0	111.2	A56 L57 N64 K65 L67 I101	A56-A60 VanDerWaalsContact O-CB 3.3Å; A56-A60 WeakPolarHBondContact O-CB 3.3Å; A56-A60 PolarHBondContact O-N 2.86Å; L57-A60 PolarHBondContact O-N 3.32Å; A60-N64 CarbonylContact O-C 3.01Å; A60-N64 VanDerWaalsContact O-CA 3.28Å; A60-N64 WeakPolarHBondContact O-CA 3.38Å; A60-N64 PolarHBondContact O-N 2.9Å; A60-K65 CarbonylContact C-O 3.56Å; A60-K65 WeakPolarHBondContact CA-O 3.31Å; A60-K65 VanDerWaalsContact CB-O 3.22Å; A60-K65 WeakPolarHBondContact CB-O 3.47Å; A60-K65 PolarHBondContact O-N 3.06Å; A60-L67 HydrophobicContact CB-CB 4.08Å; A60-I101 HydrophobicContact CB-CG1 4.22Å
61	R	96.3	Very high	96.6	Very high	159 Å²	159	54 Å²	54	60%	0.6	26%	0.256	S	S	*	.	H	α-helix	trans	-68	-46.5	176	-167.6	-177.2	-173.6	117.1	-1.3	112	L57 Y58 W59 Q63 N64	L57-R61 PolarHBondContact O-N 2.8Å; Y58-R61 PolarHBondContact O-N 3.36Å; W59-R61 VanDerWaalsContact C-N 3.32Å; W59-R61 PolarHBondContact O-N 3.09Å; R61-Q63 PolarHBondContact O-N 2.84Å; R61-N64 PolarHBondContact O-N 3.47Å
62	A	96.8	Very high	96.8	Very high	71 Å²	71	48 Å²	48	59%	0.587	23%	0.228	S	C	*	.	H	α-helix	trans	-66.3	-36.4	-176.1	0	0	0	0	0	112.9	Y58 W59	Y58-A62 VanDerWaalsContact O-CB 3.25Å; Y58-A62 WeakPolarHBondContact O-CB 3.34Å; Y58-A62 PolarHBondContact O-N 3.36Å; W59-A62 PolarHBondContact O-N 3.15Å
63	Q	96.1	Very high	96.9	Very high	97 Å²	97	49.9 Å²	49.9	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-95.2	-3.7	-179.7	-59.8	-178.1	41.8	0	0	113.1	W59 R61 K65	W59-Q63 VanDerWaalsContact O-CB 3.32Å; W59-Q63 WeakPolarHBondContact O-CB 3.47Å; W59-Q63 WeakPolarHBondContact O-CG 3.44Å; W59-Q63 PolarHBondContact O-N 3.44Å; R61-Q63 PolarHBondContact O-N 2.84Å; Q63-K65 VanDerWaalsContact C-N 3.28Å; Q63-K65 HydrophobicContact CB-CB 4.48Å; Q63-K65 HydrophobicContact CB-CD 4.27Å; Q63-K65 HydrophobicContact CB-CG 4.16Å; Q63-K65 PolarHBondContact O-N 2.94Å
64	N	96.4	Very high	96.7	Very high	105 Å²	105	54.9 Å²	54.9	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	46.7	-172.7	-164.4	41.6	0	0	0	112.6	A60 R61	A60-N64 CarbonylContact O-C 3.01Å; A60-N64 VanDerWaalsContact O-CA 3.28Å; A60-N64 WeakPolarHBondContact O-CA 3.38Å; A60-N64 PolarHBondContact O-N 2.9Å; R61-N64 PolarHBondContact O-N 3.47Å
65	K	97.4	Very high	96.6	Very high	54 Å²	54	56.9 Å²	56.9	24%	0.235	28%	0.275	C	S	.	.			trans	-122.4	138.4	-179.7	-71.6	-175.2	-176.3	-172.2	0	110.4	A60 Q63 E98 I101	A60-K65 CarbonylContact C-O 3.56Å; A60-K65 WeakPolarHBondContact CA-O 3.31Å; A60-K65 VanDerWaalsContact CB-O 3.22Å; A60-K65 WeakPolarHBondContact CB-O 3.47Å; A60-K65 PolarHBondContact O-N 3.06Å; Q63-K65 VanDerWaalsContact C-N 3.28Å; Q63-K65 HydrophobicContact CB-CB 4.48Å; Q63-K65 HydrophobicContact CB-CD 4.27Å; Q63-K65 HydrophobicContact CB-CG 4.16Å; Q63-K65 PolarHBondContact O-N 2.94Å; K65-E98 WeakPolarHBondContact CE-O 3.21Å; K65-E98 PolarHBondContact NZ-O 3.34Å; K65-I101 HydrophobicContact CB-CD1 4.35Å; K65-I101 HydrophobicContact CB-CG1 4.12Å; K65-I101 HydrophobicContact CD-CD1 4.29Å
66	P	98.1	Very high	96.5	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.032	27%	0.266	C	S	.	.			trans	-67.4	147.8	176	24.1	-23.3	0	0	0	110.4	L100 I101 V127 A163 L166	P66-L100 HydrophobicContact CB-CD2 4.35Å; P66-L100 HydrophobicContact CG-CD2 3.59Å; P66-L100 WeakPolarHBondContact O-CA 3.46Å; P66-I101 PolarHBondContact O-N 3.2Å; P66-V127 CarbonylContact C-O 3.56Å; P66-V127 WeakPolarHBondContact CA-O 3.43Å; P66-A163 WeakPolarHBondContact CG-O 3.36Å; P66-L166 HydrophobicContact CB-CD2 4.45Å; P66-L166 HydrophobicContact CG-CD2 4.17Å
67	L	98.3	Very high	96.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.3	178.1	166.7	62	0	0	0	109.6	Y53 A56 L57 A60 V69 I101 L103 F126 V127	Y53-L67 HydrophobicContact CD2-CD2 4.02Å; Y53-L67 HydrophobicContact CE2-CD2 3.75Å; A56-L67 HydrophobicContact CB-CD1 3.63Å; A56-L67 HydrophobicContact CB-CD2 3.8Å; A56-L67 HydrophobicContact CB-CG 4.38Å; L57-L67 HydrophobicContact CD2-CD2 3.98Å; L57-L67 HydrophobicContact CG-CD2 4.31Å; A60-L67 HydrophobicContact CB-CB 4.08Å; L67-V69 HydrophobicContact CD1-CG2 4.17Å; L67-V69 HydrophobicContact CD2-CG2 3.8Å; L67-V69 HydrophobicContact CG-CG2 3.69Å; L67-I101 CarbonylContact C-O 3.6Å; L67-I101 WeakPolarHBondContact CA-O 3.41Å; L67-I101 HydrophobicContact CB-CB 4.5Å; L67-I101 HydrophobicContact CD1-CB 4.09Å; L67-I101 HydrophobicContact CD1-CG2 3.92Å; L67-I101 WeakPolarHBondContact CD1-O 3.29Å; L67-L103 HydrophobicContact CD1-CB 4.02Å; L67-F126 CarbonylContact O-C 3.59Å; L67-F126 VanDerWaalsContact O-CA 3.27Å; L67-F126 WeakPolarHBondContact O-CA 3.32Å; L67-V127 HydrophobicContact CB-CB 4.17Å; L67-V127 HydrophobicContact CD2-CB 4.44Å; L67-V127 HydrophobicContact CD2-CG2 4.5Å; L67-V127 PolarHBondContact N-O 3.47Å; L67-V127 PolarHBondContact O-N 3.45Å
68	M	98.4	Very high	96.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.8	169	177.9	176.5	168.5	0	0	109.1	I70 F86 L100 I101 L103 I124 F126 L156 M160	M68-I70 HydrophobicContact CE-CD1 3.69Å; M68-I70 HydrophobicContact CE-CG1 3.79Å; M68-I70 HydrophobicContact CG-CG1 4.36Å; M68-F86 HydrophobicContact CE-CD2 4.3Å; M68-F86 HydrophobicContact CE-CE2 3.34Å; M68-F86 HydrophobicContact CE-CZ 3.81Å; M68-F86 HydrophobicContact SD-CE2 4.3Å; M68-F86 HydrophobicContact SD-CZ 4.39Å; M68-L100 HydrophobicContact CB-CD1 4.12Å; M68-L100 HydrophobicContact SD-CD1 4.04Å; M68-I101 PolarHBondContact N-O 2.85Å; M68-L103 PolarHBondContact O-N 2.96Å; M68-I124 HydrophobicContact CE-CD1 4.08Å; M68-I124 HydrophobicContact CE-CG2 3.47Å; M68-I124 VanDerWaalsContact CE-CG2 3.47Å; M68-I124 HydrophobicContact CG-CG2 3.96Å; M68-I124 HydrophobicContact SD-CG2 4.38Å; M68-F126 HydrophobicContact CB-CD1 4.01Å; M68-F126 HydrophobicContact CB-CE1 3.9Å; M68-F126 HydrophobicContact CG-CD1 4.21Å; M68-F126 HydrophobicContact CG-CE1 3.72Å; M68-F126 HydrophobicContact CG-CZ 4.41Å; M68-F126 HydrophobicContact SD-CE1 3.89Å; M68-F126 HydrophobicContact SD-CZ 4.37Å; M68-L156 HydrophobicContact CE-CD1 4.49Å; M68-M160 HydrophobicContact SD-CE 4.06Å; M68-M160 HydrophobicContact SD-CG 4.31Å; M68-M160 HydrophobicContact SD-SD 4.39Å
69	V	98.3	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.2	178.2	-170.4	0	0	0	0	109.2	Y53 L67 F71 L103 L105 I124 I125 V127	Y53-V69 HydrophobicContact CD2-CG2 4.38Å; Y53-V69 HydrophobicContact CE2-CG2 4.18Å; L67-V69 HydrophobicContact CD1-CG2 4.17Å; L67-V69 HydrophobicContact CD2-CG2 3.8Å; L67-V69 HydrophobicContact CG-CG2 3.69Å; V69-F71 HydrophobicContact CB-CE2 4.35Å; V69-F71 HydrophobicContact CG1-CD2 4.11Å; V69-F71 HydrophobicContact CG1-CE2 3.56Å; V69-F71 HydrophobicContact CG1-CZ 3.84Å; V69-L103 CarbonylContact C-O 3.53Å; V69-L103 WeakPolarHBondContact CA-O 3.33Å; V69-L103 HydrophobicContact CG1-CD2 4.2Å; V69-L103 HydrophobicContact CG1-CG 4.48Å; V69-L103 HydrophobicContact CG2-CD2 4.43Å; V69-L105 HydrophobicContact CG1-CD1 4.1Å; V69-I124 WeakPolarHBondContact O-CA 3.46Å; V69-I125 PolarHBondContact N-O 2.86Å; V69-I125 PolarHBondContact O-N 2.85Å; V69-V127 HydrophobicContact CG2-CG2 4.46Å
70	I	98.2	Very high	96.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	109.2	179.4	-52.6	175.3	0	0	0	108.8	W43 W49 M68 F86 L103 N104 L105 I124	W43-I70 HydrophobicContact CD2-CD1 4.08Å; W43-I70 HydrophobicContact CD2-CG2 4.21Å; W43-I70 HydrophobicContact CE3-CD1 3.79Å; W43-I70 HydrophobicContact CE3-CG2 4.29Å; W43-I70 HydrophobicContact CH2-CG2 3.65Å; W43-I70 HydrophobicContact CZ2-CG2 3.52Å; W43-I70 HydrophobicContact CZ3-CD1 4.2Å; W43-I70 HydrophobicContact CZ3-CG2 4.03Å; W49-I70 HydrophobicContact CH2-CD1 3.91Å; W49-I70 HydrophobicContact CZ3-CD1 4.2Å; M68-I70 HydrophobicContact CE-CD1 3.69Å; M68-I70 HydrophobicContact CE-CG1 3.79Å; M68-I70 HydrophobicContact CG-CG1 4.36Å; I70-F86 HydrophobicContact CD1-CZ 4.37Å; I70-L103 PolarHBondContact N-O 3.48Å; I70-N104 HydrophobicContact CB-CB 4.12Å; I70-N104 CarbonylContact O-C 3.55Å; I70-N104 VanDerWaalsContact O-CA 3.26Å; I70-N104 WeakPolarHBondContact O-CA 3.23Å; I70-L105 PolarHBondContact O-N 3.42Å; I70-I124 HydrophobicContact CG1-CG1 4.36Å; I70-I124 HydrophobicContact CG2-CG1 4.32Å
71	F	98.1	Very high	96.4	Very high	2 Å²	2	58 Å²	58	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.2	168.2	-63.9	-86.3	0	0	0	109.4	V69 L105 T109 L114 V121 P122 R123 I125	V69-F71 HydrophobicContact CB-CE2 4.35Å; V69-F71 HydrophobicContact CG1-CD2 4.11Å; V69-F71 HydrophobicContact CG1-CE2 3.56Å; V69-F71 HydrophobicContact CG1-CZ 3.84Å; F71-L105 WeakPolarHBondContact CA-O 3.34Å; F71-L105 HydrophobicContact CD1-CB 4.01Å; F71-L105 HydrophobicContact CD1-CD1 4.36Å; F71-L105 HydrophobicContact CE1-CB 4.12Å; F71-L105 HydrophobicContact CE1-CD1 3.65Å; F71-L105 HydrophobicContact CZ-CD1 4.04Å; F71-T109 HydrophobicContact CE1-CG2 4.09Å; F71-T109 HydrophobicContact CZ-CG2 4.06Å; F71-L114 HydrophobicContact CE2-CB 3.99Å; F71-L114 HydrophobicContact CE2-CD1 4.27Å; F71-L114 HydrophobicContact CZ-CB 3.97Å; F71-L114 HydrophobicContact CZ-CD1 3.87Å; F71-V121 HydrophobicContact CB-CG1 4.39Å; F71-P122 VanDerWaalsContact O-CA 3.32Å; F71-P122 WeakPolarHBondContact O-CA 3.45Å; F71-R123 HydrophobicContact CB-CB 4.2Å; F71-R123 PolarHBondContact N-O 3.07Å; F71-R123 PolarHBondContact O-N 3.06Å; F71-I125 HydrophobicContact CE2-CD1 4.46Å
72	H	97.5	Very high	96.5	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.014	28%	0.283	C	S	.	.			trans	-147	169.3	-179.9	73.9	99.8	0	0	0	111.4	W43 N104 L105 V106	W43-H72 AromaticContact CD1-NE2 3.95Å; W43-H72 HydrophobicContact CZ2-CB 3.87Å; W43-H72 AromaticContact NE1-CD2 3.37Å; W43-H72 PolarHBondContact NE1-CD2 3.17Å; W43-H72 AromaticContact NE1-CE1 3.61Å; W43-H72 AromaticContact NE1-CG 3.51Å; W43-H72 AromaticContact NE1-ND1 3.63Å; W43-H72 AromaticContact NE1-NE2 3.43Å; W43-H72 PolarHBondContact NE1-NE2 2.97Å; H72-N104 PolarHBondContact NE2-OD1 3.39Å; H72-L105 PolarHBondContact N-O 2.96Å; H72-V106 VanDerWaalsContact CE1-CG1 3.46Å; H72-V106 WeakPolarHBondContact CE1-CG1 3.43Å; H72-V106 VanDerWaalsContact O-CA 3.3Å; H72-V106 WeakPolarHBondContact O-CA 3.41Å
73	L	95.9	Very high	96.5	Very high	86 Å²	86	49.3 Å²	49.3	45%	0.45	27%	0.265	S	S	.	.			trans	-127.8	145.3	169	-67.8	174.4	0	0	0	108.7	C76 S79 V121	L73-C76 HydrophobicContact CB-CB 3.9Å; L73-S79 PolarHBondContact N-OG 3.14Å; L73-S79 WeakPolarHBondContact O-CB 3.27Å; L73-V121 HydrophobicContact CB-CG2 4.29Å; L73-V121 HydrophobicContact CD1-CG2 3.85Å; L73-V121 HydrophobicContact CG-CG1 4.37Å; L73-V121 HydrophobicContact CG-CG2 3.93Å
74	E	90.5	Very high	96.5	Very high	129 Å²	129	50.8 Å²	50.8	60%	0.603	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-40.9	179.2	-63.6	-171.1	172.2	0	0	111.3	C76	E74-C76 VanDerWaalsContact C-N 3.27Å; E74-C76 PolarHBondContact O-N 2.68Å
75	D	92.2	Very high	96.6	Very high	165 Å²	165	47.5 Å²	47.5	88%	0.882	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	37.1	-180	-60.9	-35.6	0	0	0	113.2
76	C	94.5	Very high	96.6	Very high	17 Å²	17	45 Å²	45	12%	0.115	24%	0.242	C	C	.	.			trans	-122.3	117.2	178.7	176.4	0	0	0	0	111.4	L73 E74 H78 S79 A80 V121	L73-C76 HydrophobicContact CB-CB 3.9Å; E74-C76 VanDerWaalsContact C-N 3.27Å; E74-C76 PolarHBondContact O-N 2.68Å; C76-H78 VanDerWaalsContact C-N 3.3Å; C76-H78 PolarHBondContact O-N 2.79Å; C76-S79 PolarHBondContact O-N 2.71Å; C76-S79 VanDerWaalsContact O-N 3.13Å; C76-A80 PolarHBondContact O-N 2.99Å; C76-V121 HydrophobicContact CB-CG2 4.36Å
77	P	96.2	Very high	96.5	Very high	99 Å²	99	46.4 Å²	46.4	64%	0.643	26%	0.255	S	S	*	.	H	α-helix	trans	-58.6	-37	-179.8	-27	35	0	0	0	114.1	S81	P77-S81 WeakPolarHBondContact O-CB 3.37Å; P77-S81 PolarHBondContact O-N 2.81Å; P77-S81 PolarHBondContact O-OG 2.85Å
78	H	96	Very high	96.5	Very high	117 Å²	117	52.5 Å²	52.5	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-67.6	-42.4	177.2	-64.9	-71	0	0	0	111.6	C76 S81 M82	C76-H78 VanDerWaalsContact C-N 3.3Å; C76-H78 PolarHBondContact O-N 2.79Å; H78-S81 PolarHBondContact O-N 3.15Å; H78-M82 WeakPolarHBondContact O-CB 3.2Å; H78-M82 PolarHBondContact O-N 3.17Å
79	S	96.6	Very high	96.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.014	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-44.9	175.8	-65.4	0	0	0	0	111.3	L73 C76 S81 M82 K83	L73-S79 PolarHBondContact N-OG 3.14Å; L73-S79 WeakPolarHBondContact O-CB 3.27Å; C76-S79 PolarHBondContact O-N 2.71Å; C76-S79 VanDerWaalsContact O-N 3.13Å; S79-S81 PolarHBondContact O-N 2.64Å; S79-M82 PolarHBondContact O-N 3.26Å; S79-K83 WeakPolarHBondContact O-CB 3.3Å; S79-K83 PolarHBondContact O-N 2.76Å
80	A	96.8	Very high	96.4	Very high	46 Å²	46	63 Å²	63	38%	0.38	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-43.7	177.7	0	0	0	0	0	112.4	C76 K83 K84	C76-A80 PolarHBondContact O-N 2.99Å; A80-K83 PolarHBondContact O-N 3.03Å; A80-K84 PolarHBondContact O-N 3.34Å; A80-K84 VanDerWaalsContact O-N 3.1Å
81	S	96.9	Very high	96.3	Very high	60 Å²	60	67.8 Å²	67.8	42%	0.42	36%	0.356	S	S	.	.	H	α-helix	trans	-66	-44.4	179.7	-57	0	0	0	0	111.8	P77 H78 S79 K84 V85	P77-S81 WeakPolarHBondContact O-CB 3.37Å; P77-S81 PolarHBondContact O-N 2.81Å; P77-S81 PolarHBondContact O-OG 2.85Å; H78-S81 PolarHBondContact O-N 3.15Å; S79-S81 PolarHBondContact O-N 2.64Å; S81-K84 PolarHBondContact O-N 3.16Å; S81-V85 PolarHBondContact O-N 3.19Å
82	M	97.1	Very high	96.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-41.4	178	-171.8	59.2	-162.8	0	0	111.9	W43 H78 S79 K84 V85 F86 P122 I124 I153 L156	W43-M82 HydrophobicContact CH2-CB 4.27Å; W43-M82 HydrophobicContact CH2-CG 4.07Å; W43-M82 HydrophobicContact CZ3-CG 4.25Å; H78-M82 WeakPolarHBondContact O-CB 3.2Å; H78-M82 PolarHBondContact O-N 3.17Å; S79-M82 PolarHBondContact O-N 3.26Å; M82-K84 VanDerWaalsContact C-N 3.32Å; M82-K84 PolarHBondContact O-N 3.09Å; M82-V85 HydrophobicContact CE-CG2 4.49Å; M82-V85 WeakPolarHBondContact O-CG2 3.41Å; M82-V85 PolarHBondContact O-N 3.09Å; M82-V85 HydrophobicContact SD-CG2 3.91Å; M82-F86 VanDerWaalsContact O-CB 3.32Å; M82-F86 WeakPolarHBondContact O-CB 3.44Å; M82-F86 PolarHBondContact O-N 2.87Å; M82-P122 HydrophobicContact CB-CG 4.02Å; M82-P122 HydrophobicContact CG-CG 4.39Å; M82-I124 HydrophobicContact CE-CD1 4.41Å; M82-I153 HydrophobicContact CE-CD1 3.6Å; M82-L156 HydrophobicContact CE-CD2 3.42Å; M82-L156 VanDerWaalsContact CE-CD2 3.42Å
83	K	96.8	Very high	96.3	Very high	49 Å²	49	68.1 Å²	68.1	21%	0.213	36%	0.358	C	S	.	.	H	α-helix	trans	-56.3	-45.4	176.1	178.6	170.2	73	177.8	0	112.1	R41 G42 W43 S79 A80 F86 A87	R41-K83 WeakPolarHBondContact O-CD 3.31Å; R41-K83 WeakPolarHBondContact O-CE 3.28Å; R41-K83 PolarHBondContact O-NZ 3.24Å; G42-K83 WeakPolarHBondContact O-CG 3.37Å; W43-K83 HydrophobicContact CD2-CB 4.03Å; W43-K83 HydrophobicContact CD2-CD 4.34Å; W43-K83 HydrophobicContact CD2-CG 3.84Å; W43-K83 HydrophobicContact CE3-CB 4.31Å; W43-K83 HydrophobicContact CE3-CG 4.41Å; W43-K83 HydrophobicContact CG-CD 4.13Å; W43-K83 HydrophobicContact CG-CG 3.91Å; W43-K83 HydrophobicContact CH2-CB 4.17Å; W43-K83 HydrophobicContact CZ2-CB 3.88Å; W43-K83 HydrophobicContact CZ2-CG 4.47Å; W43-K83 HydrophobicContact CZ3-CB 4.39Å; S79-K83 WeakPolarHBondContact O-CB 3.3Å; S79-K83 PolarHBondContact O-N 2.76Å; A80-K83 PolarHBondContact O-N 3.03Å; K83-F86 PolarHBondContact O-N 2.82Å; K83-A87 WeakPolarHBondContact O-CB 3.39Å; K83-A87 PolarHBondContact O-N 2.81Å
84	K	96.9	Very high	96.4	Very high	128 Å²	128	68.9 Å²	68.9	56%	0.557	36%	0.358	S	S	*	.	H	α-helix	trans	-58.1	-53.3	179.1	-177.7	179.6	176.3	-178	0	111.6	A80 S81 M82 F86 A87 E88	A80-K84 PolarHBondContact O-N 3.34Å; A80-K84 VanDerWaalsContact O-N 3.1Å; S81-K84 PolarHBondContact O-N 3.16Å; M82-K84 VanDerWaalsContact C-N 3.32Å; M82-K84 PolarHBondContact O-N 3.09Å; K84-F86 VanDerWaalsContact C-N 3.31Å; K84-F86 PolarHBondContact O-N 3.18Å; K84-A87 PolarHBondContact O-N 3.09Å; K84-E88 WeakPolarHBondContact CE-OE1 3.36Å; K84-E88 WeakPolarHBondContact CG-OE1 3.44Å; K84-E88 WeakPolarHBondContact O-CG 3.47Å; K84-E88 PolarHBondContact O-N 2.84Å
85	V	97.8	Very high	96.7	Very high	36 Å²	36	63.5 Å²	63.5	22%	0.218	33%	0.333	C	S	.	.	H	α-helix	trans	-67.7	-33	-178.6	-63.3	0	0	0	0	112.5	S81 M82 E88 D89 P150 I153	S81-V85 PolarHBondContact O-N 3.19Å; M82-V85 HydrophobicContact CE-CG2 4.49Å; M82-V85 WeakPolarHBondContact O-CG2 3.41Å; M82-V85 PolarHBondContact O-N 3.09Å; M82-V85 HydrophobicContact SD-CG2 3.91Å; V85-E88 PolarHBondContact O-N 2.82Å; V85-D89 WeakPolarHBondContact O-CB 3.38Å; V85-D89 PolarHBondContact O-N 2.81Å; V85-P150 HydrophobicContact CG1-CB 3.97Å; V85-P150 HydrophobicContact CG2-CB 3.97Å; V85-I153 HydrophobicContact CB-CD1 4.37Å; V85-I153 HydrophobicContact CG2-CD1 3.85Å; V85-I153 HydrophobicContact CG2-CG1 4.43Å
86	F	97.8	Very high	97	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-41.3	175.2	-175	-79.8	0	0	0	111.8	W43 L47 M68 I70 M82 K83 K84 I92 Q93 A96 L156	W43-F86 HydrophobicContact CB-CD1 4.4Å; W43-F86 HydrophobicContact CE3-CB 3.77Å; W43-F86 AromaticContact CE3-CD1 3.71Å; W43-F86 HydrophobicContact CE3-CD1 3.71Å; W43-F86 HydrophobicContact CE3-CD2 4.22Å; W43-F86 HydrophobicContact CE3-CE1 4.37Å; W43-F86 AromaticContact CE3-CG 3.63Å; W43-F86 HydrophobicContact CE3-CG 3.63Å; W43-F86 HydrophobicContact CZ3-CB 3.82Å; W43-F86 HydrophobicContact CZ3-CD1 4.45Å; W43-F86 HydrophobicContact CZ3-CD2 4.23Å; W43-F86 AromaticContact CZ3-CG 3.92Å; W43-F86 HydrophobicContact CZ3-CG 3.92Å; W43-F86 WeakPolarHBondContact O-CD1 3.27Å; W43-F86 VanDerWaalsContact O-CE1 3.24Å; W43-F86 WeakPolarHBondContact O-CE1 3.32Å; L47-F86 HydrophobicContact CD1-CE1 4.43Å; M68-F86 HydrophobicContact CE-CD2 4.3Å; M68-F86 HydrophobicContact CE-CE2 3.34Å; M68-F86 HydrophobicContact CE-CZ 3.81Å; M68-F86 HydrophobicContact SD-CE2 4.3Å; M68-F86 HydrophobicContact SD-CZ 4.39Å; I70-F86 HydrophobicContact CD1-CZ 4.37Å; M82-F86 VanDerWaalsContact O-CB 3.32Å; M82-F86 WeakPolarHBondContact O-CB 3.44Å; M82-F86 PolarHBondContact O-N 2.87Å; K83-F86 PolarHBondContact O-N 2.82Å; K84-F86 VanDerWaalsContact C-N 3.31Å; K84-F86 PolarHBondContact O-N 3.18Å; F86-I92 HydrophobicContact CD1-CG2 4.16Å; F86-I92 HydrophobicContact CD2-CD1 4.49Å; F86-I92 HydrophobicContact CD2-CG2 3.47Å; F86-I92 VanDerWaalsContact CD2-CG2 3.47Å; F86-I92 HydrophobicContact CE1-CG2 3.96Å; F86-I92 HydrophobicContact CE2-CG2 3.18Å; F86-I92 HydrophobicContact CG-CG2 3.94Å; F86-I92 HydrophobicContact CZ-CG2 3.47Å; F86-I92 VanDerWaalsContact CZ-CG2 3.47Å; F86-Q93 VanDerWaalsContact CD1-NE2 3.32Å; F86-Q93 VanDerWaalsContact CE1-NE2 3.3Å; F86-Q93 PolarHBondContact O-NE2 3.34Å; F86-A96 HydrophobicContact CZ-CB 4.42Å; F86-L156 HydrophobicContact CD2-CD2 3.81Å; F86-L156 HydrophobicContact CE2-CD2 4.09Å
87	A	96.6	Very high	97	Very high	35 Å²	35	56.9 Å²	56.9	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-71.3	-33.1	178.4	0	0	0	0	0	113	G42 K83 K84	G42-A87 WeakPolarHBondContact O-CB 3.43Å; K83-A87 WeakPolarHBondContact O-CB 3.39Å; K83-A87 PolarHBondContact O-N 2.81Å; K84-A87 PolarHBondContact O-N 3.09Å
88	E	96.8	Very high	97	Very high	128 Å²	128	56.3 Å²	56.3	60%	0.598	29%	0.286	S	S	*	.	H	α-helix	trans	-80.1	-27.5	-179.4	-71.4	173.5	180	0	0	113.3	K84 V85 K90	K84-E88 WeakPolarHBondContact CE-OE1 3.36Å; K84-E88 WeakPolarHBondContact CG-OE1 3.44Å; K84-E88 WeakPolarHBondContact O-CG 3.47Å; K84-E88 PolarHBondContact O-N 2.84Å; V85-E88 PolarHBondContact O-N 2.82Å; E88-K90 PolarHBondContact O-N 2.8Å
89	D	97.8	Very high	97.1	Very high	41 Å²	41	52.8 Å²	52.8	22%	0.219	27%	0.271	C	S	.	.			trans	-77	111.9	-177.6	-169.8	-62.3	0	0	0	112.4	V85 D91 I92 Q93 I153	V85-D89 WeakPolarHBondContact O-CB 3.38Å; V85-D89 PolarHBondContact O-N 2.81Å; D89-D91 PolarHBondContact O-N 2.91Å; D89-D91 PolarHBondContact OD1-N 3.45Å; D89-I92 HydrophobicContact CB-CB 4.13Å; D89-I92 HydrophobicContact CB-CD1 4.28Å; D89-I92 HydrophobicContact CB-CG1 4.38Å; D89-I92 PolarHBondContact OD1-N 3.17Å; D89-Q93 VanDerWaalsContact O-CG 3.24Å; D89-Q93 WeakPolarHBondContact O-CG 3.42Å; D89-Q93 PolarHBondContact O-N 3.43Å; D89-I153 HydrophobicContact CB-CG1 4.34Å
90	K	97	Very high	97.2	Very high	180 Å²	180	53 Å²	53	78%	0.783	27%	0.272	S	S	*	.	H	α-helix	trans	-66.6	-33.4	-175.9	-64.6	179.1	-176.7	173.1	0	113.5	E88 K94	E88-K90 PolarHBondContact O-N 2.8Å; K90-K94 VanDerWaalsContact O-CB 3.29Å; K90-K94 WeakPolarHBondContact O-CB 3.44Å; K90-K94 PolarHBondContact O-N 2.95Å
91	D	97.4	Very high	97.2	Very high	100 Å²	100	51.2 Å²	51.2	54%	0.535	26%	0.256	S	S	.	.	H	α-helix	trans	-74.8	-40.3	-176.6	-70.9	-33.1	0	0	0	110.2	D89 K94 V95 L157	D89-D91 PolarHBondContact O-N 2.91Å; D89-D91 PolarHBondContact OD1-N 3.45Å; D91-K94 PolarHBondContact O-N 3.32Å; D91-V95 WeakPolarHBondContact O-CG2 3.3Å; D91-V95 PolarHBondContact O-N 3.37Å; D91-L157 HydrophobicContact CB-CD1 4.22Å; D91-L157 HydrophobicContact CB-CD2 3.85Å
92	I	97.8	Very high	97.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-50.1	171.4	-75.7	-177.7	0	0	0	111	F86 D89 K94 V95 A96 I153 L156 L157 M160	F86-I92 HydrophobicContact CD1-CG2 4.16Å; F86-I92 HydrophobicContact CD2-CD1 4.49Å; F86-I92 HydrophobicContact CD2-CG2 3.47Å; F86-I92 VanDerWaalsContact CD2-CG2 3.47Å; F86-I92 HydrophobicContact CE1-CG2 3.96Å; F86-I92 HydrophobicContact CE2-CG2 3.18Å; F86-I92 HydrophobicContact CG-CG2 3.94Å; F86-I92 HydrophobicContact CZ-CG2 3.47Å; F86-I92 VanDerWaalsContact CZ-CG2 3.47Å; D89-I92 HydrophobicContact CB-CB 4.13Å; D89-I92 HydrophobicContact CB-CD1 4.28Å; D89-I92 HydrophobicContact CB-CG1 4.38Å; D89-I92 PolarHBondContact OD1-N 3.17Å; I92-K94 PolarHBondContact O-N 3.46Å; I92-V95 PolarHBondContact O-N 3.45Å; I92-A96 WeakPolarHBondContact O-CB 3.49Å; I92-A96 PolarHBondContact O-N 3.04Å; I92-I153 HydrophobicContact CD1-CD1 3.2Å; I92-I153 HydrophobicContact CD1-CG1 3.46Å; I92-I153 VanDerWaalsContact CD1-CG1 3.46Å; I92-L156 HydrophobicContact CD1-CD2 4.19Å; I92-L156 HydrophobicContact CD1-CG 4.44Å; I92-L157 HydrophobicContact CD1-CB 4.48Å; I92-L157 HydrophobicContact CG1-CB 4.05Å; I92-L157 HydrophobicContact CG1-CD1 4.03Å; I92-M160 HydrophobicContact CB-SD 4.39Å; I92-M160 HydrophobicContact CG1-SD 4.01Å; I92-M160 HydrophobicContact CG2-CE 4.11Å; I92-M160 HydrophobicContact CG2-SD 4.03Å
93	Q	97.6	Very high	97.3	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-38.2	179.1	-70.6	-63.8	-46.1	0	0	111.7	W43 Q46 F86 D89 D97	W43-Q93 PolarHBondContact O-NE2 3.14Å; Q46-Q93 VanDerWaalsContact NE2-CD 3.34Å; F86-Q93 VanDerWaalsContact CD1-NE2 3.32Å; F86-Q93 VanDerWaalsContact CE1-NE2 3.3Å; F86-Q93 PolarHBondContact O-NE2 3.34Å; D89-Q93 VanDerWaalsContact O-CG 3.24Å; D89-Q93 WeakPolarHBondContact O-CG 3.42Å; D89-Q93 PolarHBondContact O-N 3.43Å; Q93-D97 WeakPolarHBondContact O-CB 3.28Å; Q93-D97 PolarHBondContact O-N 2.83Å
94	K	97.2	Very high	97.3	Very high	103 Å²	103	46.3 Å²	46.3	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-65.7	-50.2	176.3	-176.1	-178.9	177.5	-177.5	0	112.3	K90 D91 I92 A96 D97 E98	K90-K94 VanDerWaalsContact O-CB 3.29Å; K90-K94 WeakPolarHBondContact O-CB 3.44Å; K90-K94 PolarHBondContact O-N 2.95Å; D91-K94 PolarHBondContact O-N 3.32Å; I92-K94 PolarHBondContact O-N 3.46Å; K94-A96 VanDerWaalsContact C-N 3.3Å; K94-A96 PolarHBondContact O-N 3.28Å; K94-D97 PolarHBondContact O-N 3.45Å; K94-E98 VanDerWaalsContact CE-OE1 3.27Å; K94-E98 WeakPolarHBondContact CE-OE1 3.21Å; K94-E98 WeakPolarHBondContact CE-OE2 3.43Å; K94-E98 HydrophobicContact CG-CG 4.32Å; K94-E98 WeakPolarHBondContact O-CB 3.42Å; K94-E98 WeakPolarHBondContact O-CG 3.22Å; K94-E98 PolarHBondContact O-N 3Å
95	V	97.8	Very high	97.3	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-39.6	179.1	176.2	0	0	0	0	110.7	D91 I92 D99 L100 L157 M160 K164	D91-V95 WeakPolarHBondContact O-CG2 3.3Å; D91-V95 PolarHBondContact O-N 3.37Å; I92-V95 PolarHBondContact O-N 3.45Å; V95-D99 HydrophobicContact CG1-CB 4.24Å; V95-D99 WeakPolarHBondContact O-CB 3.32Å; V95-D99 PolarHBondContact O-N 2.98Å; V95-L100 HydrophobicContact CG1-CD1 4.31Å; V95-L100 HydrophobicContact CG1-CG 4.4Å; V95-L100 PolarHBondContact O-N 3.23Å; V95-L157 HydrophobicContact CG2-CD1 4.04Å; V95-M160 HydrophobicContact CB-CE 4Å; V95-M160 HydrophobicContact CG1-CB 4.04Å; V95-M160 HydrophobicContact CG1-CE 3.95Å; V95-K164 HydrophobicContact CG1-CD 4.14Å
96	A	97.4	Very high	97.2	Very high	1 Å²	1	41 Å²	41	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-42.4	176.1	0	0	0	0	0	112.7	L47 F86 I92 K94 V102 M160	L47-A96 HydrophobicContact CD1-CB 3.87Å; L47-A96 HydrophobicContact CD2-CB 4.16Å; F86-A96 HydrophobicContact CZ-CB 4.42Å; I92-A96 WeakPolarHBondContact O-CB 3.49Å; I92-A96 PolarHBondContact O-N 3.04Å; K94-A96 VanDerWaalsContact C-N 3.3Å; K94-A96 PolarHBondContact O-N 3.28Å; A96-V102 HydrophobicContact CB-CG1 4.02Å; A96-M160 HydrophobicContact CB-CE 4Å
97	D	95.9	Very high	97	Very high	43 Å²	43	47.3 Å²	47.3	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-76.3	-41.9	179.7	-169.2	46.6	0	0	0	113.2	R34 L47 Q93 K94	R34-D97 IonicContact CZ-OD1 3.59Å; R34-D97 IonicContact CZ-OD2 3.89Å; R34-D97 IonicContact NH1-OD1 3.66Å; R34-D97 PolarHBondContact NH1-OD1 2.95Å; R34-D97 IonicContact NH1-OD2 2.99Å; R34-D97 IonicContact NH2-OD1 2.71Å; R34-D97 PolarHBondContact NH2-OD1 3.4Å; R34-D97 IonicContact NH2-OD2 2.75Å; R34-D97 PolarHBondContact NH2-OD2 2.86Å; L47-D97 HydrophobicContact CD2-CB 3.59Å; Q93-D97 WeakPolarHBondContact O-CB 3.28Å; Q93-D97 PolarHBondContact O-N 2.83Å; K94-D97 PolarHBondContact O-N 3.45Å
98	E	96.1	Very high	96.8	Very high	86 Å²	86	48.3 Å²	48.3	40%	0.402	23%	0.229	S	C	.	.	H	α-helix	trans	-84.7	-41.8	-170.6	-68.1	-178.6	-179.5	0	0	111.9	K65 K94	K65-E98 WeakPolarHBondContact CE-O 3.21Å; K65-E98 PolarHBondContact NZ-O 3.34Å; K94-E98 VanDerWaalsContact CE-OE1 3.27Å; K94-E98 WeakPolarHBondContact CE-OE1 3.21Å; K94-E98 WeakPolarHBondContact CE-OE2 3.43Å; K94-E98 HydrophobicContact CG-CG 4.32Å; K94-E98 WeakPolarHBondContact O-CB 3.42Å; K94-E98 WeakPolarHBondContact O-CG 3.22Å; K94-E98 PolarHBondContact O-N 3Å
99	D	97.3	Very high	96.5	Very high	43 Å²	43	43.5 Å²	43.5	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-113.7	-16.8	-163.4	-60.9	-69.5	0	0	0	114.6	V95 K164	V95-D99 HydrophobicContact CG1-CB 4.24Å; V95-D99 WeakPolarHBondContact O-CB 3.32Å; V95-D99 PolarHBondContact O-N 2.98Å; D99-K164 HydrophobicContact CB-CD 3.8Å; D99-K164 HydrophobicContact CB-CG 3.97Å; D99-K164 VanDerWaalsContact OD1-CE 3.23Å; D99-K164 WeakPolarHBondContact OD1-CE 3.34Å; D99-K164 IonicContact OD1-NZ 2.8Å; D99-K164 PolarHBondContact OD1-NZ 2.98Å; D99-K164 WeakPolarHBondContact OD2-CE 3.46Å; D99-K164 IonicContact OD2-NZ 3.69Å; D99-K164 PolarHBondContact OD2-NZ 3.34Å
100	L	97.9	Very high	96.2	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	24%	0.24	C	C	.	.			trans	-119.4	156.2	-173.1	-55.1	179.7	0	0	0	111.9	P66 M68 V95 V102 F126 M160	P66-L100 HydrophobicContact CB-CD2 4.35Å; P66-L100 HydrophobicContact CG-CD2 3.59Å; P66-L100 WeakPolarHBondContact O-CA 3.46Å; M68-L100 HydrophobicContact CB-CD1 4.12Å; M68-L100 HydrophobicContact SD-CD1 4.04Å; V95-L100 HydrophobicContact CG1-CD1 4.31Å; V95-L100 HydrophobicContact CG1-CG 4.4Å; V95-L100 PolarHBondContact O-N 3.23Å; L100-V102 HydrophobicContact CB-CG1 4.4Å; L100-F126 HydrophobicContact CD1-CE1 4.39Å; L100-M160 HydrophobicContact CD1-CB 4.27Å; L100-M160 HydrophobicContact CD1-CE 3.52Å; L100-M160 HydrophobicContact CD1-CG 4.16Å
101	I	98.2	Very high	95.8	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.046	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.4	155.5	-55.2	-54.2	0	0	0	107.1	A56 W59 A60 K65 P66 L67 M68	A56-I101 HydrophobicContact CB-CG2 4.27Å; W59-I101 HydrophobicContact CB-CD1 4.01Å; W59-I101 HydrophobicContact CB-CG1 4.13Å; W59-I101 HydrophobicContact CB-CG2 4.16Å; W59-I101 HydrophobicContact CE3-CG2 4.04Å; A60-I101 HydrophobicContact CB-CG1 4.22Å; K65-I101 HydrophobicContact CB-CD1 4.35Å; K65-I101 HydrophobicContact CB-CG1 4.12Å; K65-I101 HydrophobicContact CD-CD1 4.29Å; P66-I101 PolarHBondContact O-N 3.2Å; L67-I101 CarbonylContact C-O 3.6Å; L67-I101 WeakPolarHBondContact CA-O 3.41Å; L67-I101 HydrophobicContact CB-CB 4.5Å; L67-I101 HydrophobicContact CD1-CB 4.09Å; L67-I101 HydrophobicContact CD1-CG2 3.92Å; L67-I101 WeakPolarHBondContact CD1-O 3.29Å; M68-I101 PolarHBondContact N-O 2.85Å
102	V	97.9	Very high	95.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.3	-177.7	-65.9	0	0	0	0	111.8	L47 I48 W49 A50 A96 L100	L47-V102 HydrophobicContact CB-CG2 4.24Å; L47-V102 HydrophobicContact CD1-CG2 4.42Å; I48-V102 WeakPolarHBondContact O-CG2 3.44Å; W49-V102 HydrophobicContact CD2-CB 4.44Å; W49-V102 HydrophobicContact CD2-CG2 3.82Å; W49-V102 HydrophobicContact CE3-CB 3.84Å; W49-V102 HydrophobicContact CE3-CG2 3.71Å; W49-V102 HydrophobicContact CG-CG2 4.34Å; W49-V102 HydrophobicContact CH2-CB 4.23Å; W49-V102 HydrophobicContact CH2-CG2 4.4Å; W49-V102 HydrophobicContact CZ2-CG2 4.49Å; W49-V102 HydrophobicContact CZ3-CB 3.73Å; W49-V102 HydrophobicContact CZ3-CG2 4.03Å; A50-V102 PolarHBondContact N-O 2.94Å; A96-V102 HydrophobicContact CB-CG1 4.02Å; L100-V102 HydrophobicContact CB-CG1 4.4Å
103	L	97.7	Very high	95.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.7	176.1	175.1	64.5	0	0	0	108.6	A50 Y53 A56 L67 M68 V69 I70 L105	A50-L103 HydrophobicContact CB-CD1 4.29Å; A50-L103 VanDerWaalsContact O-CD1 3.25Å; A50-L103 WeakPolarHBondContact O-CD1 3.36Å; Y53-L103 HydrophobicContact CD2-CD2 4.02Å; A56-L103 HydrophobicContact CB-CB 4.19Å; A56-L103 HydrophobicContact CB-CD2 4.02Å; L67-L103 HydrophobicContact CD1-CB 4.02Å; M68-L103 PolarHBondContact O-N 2.96Å; V69-L103 CarbonylContact C-O 3.53Å; V69-L103 WeakPolarHBondContact CA-O 3.33Å; V69-L103 HydrophobicContact CG1-CD2 4.2Å; V69-L103 HydrophobicContact CG1-CG 4.48Å; V69-L103 HydrophobicContact CG2-CD2 4.43Å; I70-L103 PolarHBondContact N-O 3.48Å; L103-L105 HydrophobicContact CD1-CD2 3.95Å; L103-L105 HydrophobicContact CD1-CG 4.33Å; L103-L105 HydrophobicContact CD2-CD1 4.03Å; L103-L105 HydrophobicContact CD2-CD2 4.28Å; L103-L105 HydrophobicContact CD2-CG 4.11Å; L103-L105 HydrophobicContact CG-CD1 4.46Å; L103-L105 HydrophobicContact CG-CD2 4.17Å; L103-L105 HydrophobicContact CG-CG 4.01Å
104	N	97.3	Very high	95.1	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.7	167.9	74.1	93.4	0	0	0	110.2	L39 R41 W49 I70 H72	L39-N104 PolarHBondContact O-ND2 2.97Å; R41-N104 WeakPolarHBondContact CD-OD1 3.47Å; R41-N104 PolarHBondContact NH1-O 3.05Å; R41-N104 PolarHBondContact NH1-OD1 3.38Å; W49-N104 HydrophobicContact CE3-CB 4.16Å; W49-N104 HydrophobicContact CH2-CB 4.36Å; W49-N104 HydrophobicContact CZ3-CB 3.71Å; W49-N104 WeakPolarHBondContact CZ3-ND2 3.44Å; I70-N104 HydrophobicContact CB-CB 4.12Å; I70-N104 CarbonylContact O-C 3.55Å; I70-N104 VanDerWaalsContact O-CA 3.26Å; I70-N104 WeakPolarHBondContact O-CA 3.23Å; H72-N104 PolarHBondContact NE2-OD1 3.39Å
105	L	96.2	Very high	95	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.8	-176.5	-62.7	175.1	0	0	0	109.5	V69 I70 F71 H72 L103 Y107 T109	V69-L105 HydrophobicContact CG1-CD1 4.1Å; I70-L105 PolarHBondContact O-N 3.42Å; F71-L105 WeakPolarHBondContact CA-O 3.34Å; F71-L105 HydrophobicContact CD1-CB 4.01Å; F71-L105 HydrophobicContact CD1-CD1 4.36Å; F71-L105 HydrophobicContact CE1-CB 4.12Å; F71-L105 HydrophobicContact CE1-CD1 3.65Å; F71-L105 HydrophobicContact CZ-CD1 4.04Å; H72-L105 PolarHBondContact N-O 2.96Å; L103-L105 HydrophobicContact CD1-CD2 3.95Å; L103-L105 HydrophobicContact CD1-CG 4.33Å; L103-L105 HydrophobicContact CD2-CD1 4.03Å; L103-L105 HydrophobicContact CD2-CD2 4.28Å; L103-L105 HydrophobicContact CD2-CG 4.11Å; L103-L105 HydrophobicContact CG-CD1 4.46Å; L103-L105 HydrophobicContact CG-CD2 4.17Å; L103-L105 HydrophobicContact CG-CG 4.01Å; L105-Y107 WeakPolarHBondContact CB-O 3.36Å; L105-Y107 HydrophobicContact CD2-CE1 4.18Å; L105-Y107 HydrophobicContact CD2-CE2 4.29Å; L105-T109 HydrophobicContact CD1-CG2 3.53Å
106	V	95.6	Very high	94.7	Very high	49 Å²	49	50.2 Å²	50.2	30%	0.297	26%	0.256	S	S	.	.	S	Bend	trans	-102.2	7.3	172.9	-62.4	0	0	0	0	112.7	H72	H72-V106 VanDerWaalsContact CE1-CG1 3.46Å; H72-V106 WeakPolarHBondContact CE1-CG1 3.43Å; H72-V106 VanDerWaalsContact O-CA 3.3Å; H72-V106 WeakPolarHBondContact O-CA 3.41Å
107	Y	93.6	Very high	94.5	Very high	131 Å²	131	52 Å²	52	51%	0.514	27%	0.266	S	S	.	.	S	Bend	trans	-140.8	159.7	179.3	59.1	-93	0	0	0	109	L105	L105-Y107 WeakPolarHBondContact CB-O 3.36Å; L105-Y107 HydrophobicContact CD2-CE1 4.18Å; L105-Y107 HydrophobicContact CD2-CE2 4.29Å
108	E	92.9	Very high	94.4	Very high	57 Å²	57	51.5 Å²	51.5	27%	0.266	27%	0.27	S	S	.	.			trans	-81.9	146.7	179.7	-69.7	-68.9	165.1	0	0	111.7	Q119 R123	E108-Q119 HydrophobicContact CG-CB 4.38Å; E108-Q119 HydrophobicContact CG-CG 4.15Å; E108-R123 VanDerWaalsContact CD-NH2 3.25Å; E108-R123 IonicContact OE1-CZ 3.62Å; E108-R123 IonicContact OE1-NH1 3.08Å; E108-R123 PolarHBondContact OE1-NH1 2.84Å; E108-R123 IonicContact OE1-NH2 2.68Å; E108-R123 PolarHBondContact OE1-NH2 2.94Å; E108-R123 IonicContact OE2-CZ 3.44Å; E108-R123 IonicContact OE2-NH2 2.93Å; E108-R123 PolarHBondContact OE2-NH2 2.98Å
109	T	91.3	Very high	94.3	Very high	27 Å²	27	53.5 Å²	53.5	17%	0.166	28%	0.28	C	S	.	.			trans	-83.6	164.5	174.7	55.6	0	0	0	0	111.6	Y53 F71 L105 D111 L114	Y53-T109 HydrophobicContact CG-CG2 4.45Å; F71-T109 HydrophobicContact CE1-CG2 4.09Å; F71-T109 HydrophobicContact CZ-CG2 4.06Å; L105-T109 HydrophobicContact CD1-CG2 3.53Å; T109-D111 PolarHBondContact O-N 3.3Å; T109-D111 PolarHBondContact OG1-O 3.02Å; T109-L114 HydrophobicContact CG2-CD1 4.08Å; T109-L114 WeakPolarHBondContact OG1-CD1 2.96Å
110	T	89.9	Confident	94.2	Very high	143 Å²	143	53.3 Å²	53.3	88%	0.877	28%	0.276	S	S	*	.	S	Bend	trans	-70.6	-19.7	170.3	53	0	0	0	0	113.1	K112	T110-K112 PolarHBondContact O-N 2.75Å
111	D	90.1	Very high	94.1	Very high	41 Å²	41	54.7 Å²	54.7	22%	0.219	28%	0.284	C	S	.	.			trans	-73.9	112.4	178.7	-172.1	-3.8	0	0	0	111.8	Y53 T109 H113 L114	Y53-D111 HydrophobicContact CE1-CB 4.25Å; Y53-D111 PolarHBondContact OH-OD2 2.93Å; T109-D111 PolarHBondContact O-N 3.3Å; T109-D111 PolarHBondContact OG1-O 3.02Å; D111-H113 PolarHBondContact O-N 2.71Å; D111-H113 VanDerWaalsContact OD1-CB 3.31Å; D111-H113 WeakPolarHBondContact OD1-CB 3.35Å; D111-H113 IonicContact OD1-CD2 3.71Å; D111-H113 PolarHBondContact OD1-CD2 3.25Å; D111-H113 VanDerWaalsContact OD1-CD2 3.26Å; D111-H113 IonicContact OD1-CG 3.22Å; D111-H113 PolarHBondContact OD1-N 2.98Å; D111-L114 HydrophobicContact CB-CD1 4.4Å; D111-L114 HydrophobicContact CB-CG 4.34Å; D111-L114 PolarHBondContact O-N 3.12Å
112	K	91.4	Very high	94.1	Very high	174 Å²	174	54.6 Å²	54.6	76%	0.757	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-69.7	-21.3	178.5	-64.4	-176.8	-179.5	179.7	0	112.8	T110 L114 S115	T110-K112 PolarHBondContact O-N 2.75Å; K112-L114 PolarHBondContact O-N 3.23Å; K112-S115 PolarHBondContact O-N 3.38Å; K112-S115 VanDerWaalsContact O-N 3.12Å
113	H	92.8	Very high	94	Very high	134 Å²	134	54.5 Å²	54.5	62%	0.62	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-69.2	-14	177.7	-61.2	-67	0	0	0	112.6	D111 V133	D111-H113 PolarHBondContact O-N 2.71Å; D111-H113 VanDerWaalsContact OD1-CB 3.31Å; D111-H113 WeakPolarHBondContact OD1-CB 3.35Å; D111-H113 IonicContact OD1-CD2 3.71Å; D111-H113 PolarHBondContact OD1-CD2 3.25Å; D111-H113 VanDerWaalsContact OD1-CD2 3.26Å; D111-H113 IonicContact OD1-CG 3.22Å; D111-H113 PolarHBondContact OD1-N 2.98Å; H113-V133 HydrophobicContact CB-CB 4.49Å; H113-V133 HydrophobicContact CB-CG2 3.79Å
114	L	93.7	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-89.6	5	173	-61.2	-176.4	0	0	0	114.1	Y53 F71 T109 D111 K112 R123 I125 V127 V133	Y53-L114 HydrophobicContact CD2-CD1 4.3Å; Y53-L114 HydrophobicContact CE1-CD1 4.01Å; Y53-L114 HydrophobicContact CE2-CD1 3.81Å; F71-L114 HydrophobicContact CE2-CB 3.99Å; F71-L114 HydrophobicContact CE2-CD1 4.27Å; F71-L114 HydrophobicContact CZ-CB 3.97Å; F71-L114 HydrophobicContact CZ-CD1 3.87Å; T109-L114 HydrophobicContact CG2-CD1 4.08Å; T109-L114 WeakPolarHBondContact OG1-CD1 2.96Å; D111-L114 HydrophobicContact CB-CD1 4.4Å; D111-L114 HydrophobicContact CB-CG 4.34Å; D111-L114 PolarHBondContact O-N 3.12Å; K112-L114 PolarHBondContact O-N 3.23Å; L114-R123 PolarHBondContact O-NE 3.36Å; L114-R123 PolarHBondContact O-NH2 3.33Å; L114-I125 VanDerWaalsContact C-CD1 3.49Å; L114-I125 HydrophobicContact CB-CD1 4.21Å; L114-I125 HydrophobicContact CD2-CB 4.42Å; L114-I125 HydrophobicContact CD2-CD1 4.36Å; L114-I125 HydrophobicContact CD2-CG2 3.78Å; L114-I125 WeakPolarHBondContact O-CD1 3.19Å; L114-V127 HydrophobicContact CD2-CG2 4.1Å; L114-V133 HydrophobicContact CD2-CG2 3.89Å
115	S	93.5	Very high	94.1	Very high	24 Å²	24	54.4 Å²	54.4	17%	0.168	28%	0.283	C	S	.	.			trans	-144	48.7	175.1	51.4	0	0	0	0	112.9	K112 D117 G118	K112-S115 PolarHBondContact O-N 3.38Å; K112-S115 VanDerWaalsContact O-N 3.12Å; S115-D117 PolarHBondContact O-N 2.88Å; S115-G118 PolarHBondContact O-N 2.98Å
116	P	92.3	Very high	94.2	Very high	75 Å²	75	54.3 Å²	54.3	49%	0.487	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22	-172.3	32.5	-39.4	0	0	0	113.6	Y146	P116-Y146 HydrophobicContact CG-CD2 4.29Å; P116-Y146 HydrophobicContact CG-CE2 3.41Å; P116-Y146 VanDerWaalsContact CG-CE2 3.41Å
117	D	92.7	Very high	94.3	Very high	40 Å²	40	52 Å²	52	21%	0.214	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	18.8	179.1	69	-28.1	0	0	0	112.8	S115 Y120 R144 M145 Y146	S115-D117 PolarHBondContact O-N 2.88Å; D117-Y120 VanDerWaalsContact CG-OH 3.27Å; D117-Y120 PolarHBondContact OD1-OH 3.34Å; D117-Y120 WeakPolarHBondContact OD2-CE1 3.39Å; D117-Y120 PolarHBondContact OD2-OH 3.47Å; D117-R144 WeakPolarHBondContact OD2-CA 3.45Å; D117-M145 HydrophobicContact CB-CE 3.9Å; D117-M145 PolarHBondContact OD2-N 3.27Å; D117-Y146 WeakPolarHBondContact OD1-CD2 3.45Å
118	G	93.6	Very high	94.5	Very high	31 Å²	31	46.1 Å²	46.1	32%	0.32	25%	0.246	S	C	.	.			trans	112.8	178.3	175.6	0	0	0	0	0	115	S115	S115-G118 PolarHBondContact O-N 2.98Å
119	Q	94.6	Very high	94.6	Very high	129 Å²	129	43.9 Å²	43.9	60%	0.603	24%	0.237	S	C	*	.			trans	-108.5	48	-172.1	-66.6	-179.6	-16.4	0	0	112.4	E108	E108-Q119 HydrophobicContact CG-CB 4.38Å; E108-Q119 HydrophobicContact CG-CG 4.15Å
120	Y	95.3	Very high	94.8	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.153	25%	0.249	C	C	.	.			trans	-84.9	160.7	175.1	57.3	-95.7	0	0	0	111.6	D117 R123 R144 M145 Y146 A147	D117-Y120 VanDerWaalsContact CG-OH 3.27Å; D117-Y120 PolarHBondContact OD1-OH 3.34Å; D117-Y120 WeakPolarHBondContact OD2-CE1 3.39Å; D117-Y120 PolarHBondContact OD2-OH 3.47Å; Y120-R123 HydrophobicContact CD2-CB 4.31Å; Y120-R123 HydrophobicContact CE2-CB 4.06Å; Y120-R123 HydrophobicContact CE2-CG 3.96Å; Y120-R123 WeakPolarHBondContact O-CB 3.31Å; Y120-R123 PolarHBondContact O-NH1 2.95Å; Y120-R144 HydrophobicContact CD1-CB 4.35Å; Y120-R144 HydrophobicContact CD1-CG 3.86Å; Y120-R144 HydrophobicContact CD2-CB 4.35Å; Y120-R144 HydrophobicContact CD2-CG 4.34Å; Y120-R144 HydrophobicContact CE1-CB 3.88Å; Y120-R144 HydrophobicContact CE1-CG 3.83Å; Y120-R144 HydrophobicContact CE2-CB 3.9Å; Y120-R144 HydrophobicContact CE2-CG 4.34Å; Y120-R144 HydrophobicContact CG-CG 4.12Å; Y120-R144 WeakPolarHBondContact OH-CA 3.26Å; Y120-M145 PolarHBondContact OH-N 2.77Å; Y120-Y146 PolarHBondContact OH-N 3.44Å; Y120-A147 HydrophobicContact CD2-CB 4.16Å; Y120-A147 HydrophobicContact CE2-CB 3.64Å
121	V	96.3	Very high	95	Very high	35 Å²	35	43.4 Å²	43.4	21%	0.212	23%	0.231	C	C	.	.	S	Bend	trans	-131.7	149.6	176.1	-66	0	0	0	0	111.6	F71 L73 C76	F71-V121 HydrophobicContact CB-CG1 4.39Å; L73-V121 HydrophobicContact CB-CG2 4.29Å; L73-V121 HydrophobicContact CD1-CG2 3.85Å; L73-V121 HydrophobicContact CG-CG1 4.37Å; L73-V121 HydrophobicContact CG-CG2 3.93Å; C76-V121 HydrophobicContact CB-CG2 4.36Å
122	P	96.8	Very high	95.2	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.052	24%	0.24	C	C	.	.	S	Bend	cis	-73.4	145.2	-6.6	31.5	-34.1	0	0	0	111.7	F71 M82	F71-P122 VanDerWaalsContact O-CA 3.32Å; F71-P122 WeakPolarHBondContact O-CA 3.45Å; M82-P122 HydrophobicContact CB-CG 4.02Å; M82-P122 HydrophobicContact CG-CG 4.39Å
123	R	97.4	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.1	179.7	-174.1	169.7	75.7	-104.4	7.5	109.9	F71 E108 L114 Y120 I125 Y146	F71-R123 HydrophobicContact CB-CB 4.2Å; F71-R123 PolarHBondContact N-O 3.07Å; F71-R123 PolarHBondContact O-N 3.06Å; E108-R123 VanDerWaalsContact CD-NH2 3.25Å; E108-R123 IonicContact OE1-CZ 3.62Å; E108-R123 IonicContact OE1-NH1 3.08Å; E108-R123 PolarHBondContact OE1-NH1 2.84Å; E108-R123 IonicContact OE1-NH2 2.68Å; E108-R123 PolarHBondContact OE1-NH2 2.94Å; E108-R123 IonicContact OE2-CZ 3.44Å; E108-R123 IonicContact OE2-NH2 2.93Å; E108-R123 PolarHBondContact OE2-NH2 2.98Å; L114-R123 PolarHBondContact O-NE 3.36Å; L114-R123 PolarHBondContact O-NH2 3.33Å; Y120-R123 HydrophobicContact CD2-CB 4.31Å; Y120-R123 HydrophobicContact CE2-CB 4.06Å; Y120-R123 HydrophobicContact CE2-CG 3.96Å; Y120-R123 WeakPolarHBondContact O-CB 3.31Å; Y120-R123 PolarHBondContact O-NH1 2.95Å; R123-I125 HydrophobicContact CG-CD1 4.23Å; R123-I125 HydrophobicContact CG-CG1 4.21Å; R123-Y146 WeakPolarHBondContact CA-O 3.37Å
124	I	98.1	Very high	95.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.9	-176.4	-56.6	175.8	0	0	0	109.3	M68 V69 I70 M82 F126 Y146 Y148 L156	M68-I124 HydrophobicContact CE-CD1 4.08Å; M68-I124 HydrophobicContact CE-CG2 3.47Å; M68-I124 VanDerWaalsContact CE-CG2 3.47Å; M68-I124 HydrophobicContact CG-CG2 3.96Å; M68-I124 HydrophobicContact SD-CG2 4.38Å; V69-I124 WeakPolarHBondContact O-CA 3.46Å; I70-I124 HydrophobicContact CG1-CG1 4.36Å; I70-I124 HydrophobicContact CG2-CG1 4.32Å; M82-I124 HydrophobicContact CE-CD1 4.41Å; I124-F126 HydrophobicContact CG2-CE2 4.3Å; I124-F126 HydrophobicContact CG2-CZ 4.11Å; I124-Y146 PolarHBondContact N-O 3.13Å; I124-Y148 HydrophobicContact CB-CD2 3.91Å; I124-Y148 HydrophobicContact CB-CE2 3.82Å; I124-Y148 HydrophobicContact CD1-CD2 3.99Å; I124-Y148 HydrophobicContact CD1-CG 4.5Å; I124-Y148 HydrophobicContact CG1-CD2 4.15Å; I124-L156 HydrophobicContact CD1-CD1 3.99Å; I124-L156 HydrophobicContact CD1-CD2 3.68Å; I124-L156 HydrophobicContact CG2-CD1 4.08Å
125	I	97.9	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.8	-176.6	-62.4	179.2	0	0	0	109.5	V69 F71 L114 R123 V133 Y146	V69-I125 PolarHBondContact N-O 2.86Å; V69-I125 PolarHBondContact O-N 2.85Å; F71-I125 HydrophobicContact CE2-CD1 4.46Å; L114-I125 VanDerWaalsContact C-CD1 3.49Å; L114-I125 HydrophobicContact CB-CD1 4.21Å; L114-I125 HydrophobicContact CD2-CB 4.42Å; L114-I125 HydrophobicContact CD2-CD1 4.36Å; L114-I125 HydrophobicContact CD2-CG2 3.78Å; L114-I125 WeakPolarHBondContact O-CD1 3.19Å; R123-I125 HydrophobicContact CG-CD1 4.23Å; R123-I125 HydrophobicContact CG-CG1 4.21Å; I125-V133 HydrophobicContact CG2-CG1 3.6Å; I125-Y146 HydrophobicContact CD1-CG 4.48Å; I125-Y146 HydrophobicContact CG1-CD1 3.99Å; I125-Y146 HydrophobicContact CG1-CG 3.97Å
126	F	98.3	Very high	95.7	Very high	2 Å²	2	37 Å²	37	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138	175	-59.7	-80.2	0	0	0	110.3	L67 M68 L100 I124 R134 I137 L156 N159 M160 A163	L67-F126 CarbonylContact O-C 3.59Å; L67-F126 VanDerWaalsContact O-CA 3.27Å; L67-F126 WeakPolarHBondContact O-CA 3.32Å; M68-F126 HydrophobicContact CB-CD1 4.01Å; M68-F126 HydrophobicContact CB-CE1 3.9Å; M68-F126 HydrophobicContact CG-CD1 4.21Å; M68-F126 HydrophobicContact CG-CE1 3.72Å; M68-F126 HydrophobicContact CG-CZ 4.41Å; M68-F126 HydrophobicContact SD-CE1 3.89Å; M68-F126 HydrophobicContact SD-CZ 4.37Å; L100-F126 HydrophobicContact CD1-CE1 4.39Å; I124-F126 HydrophobicContact CG2-CE2 4.3Å; I124-F126 HydrophobicContact CG2-CZ 4.11Å; F126-R134 HydrophobicContact CB-CB 4.1Å; F126-R134 HydrophobicContact CB-CG 4.44Å; F126-R134 WeakPolarHBondContact O-CB 3.24Å; F126-R134 PolarHBondContact O-N 3.23Å; F126-I137 HydrophobicContact CB-CD1 4.33Å; F126-I137 HydrophobicContact CD2-CB 4.2Å; F126-I137 HydrophobicContact CD2-CD1 4.32Å; F126-I137 HydrophobicContact CD2-CG2 3.65Å; F126-I137 HydrophobicContact CE2-CG2 3.87Å; F126-I137 HydrophobicContact CG-CD1 4.49Å; F126-L156 HydrophobicContact CE2-CD1 4.47Å; F126-L156 HydrophobicContact CZ-CD1 4.03Å; F126-N159 HydrophobicContact CE2-CB 4.15Å; F126-M160 HydrophobicContact CE1-CB 4.47Å; F126-M160 HydrophobicContact CE1-CG 3.85Å; F126-M160 HydrophobicContact CZ-CB 4.47Å; F126-M160 HydrophobicContact CZ-CG 3.71Å; F126-A163 HydrophobicContact CB-CB 3.99Å; F126-A163 HydrophobicContact CD1-CB 3.63Å; F126-A163 HydrophobicContact CD2-CB 4.46Å; F126-A163 HydrophobicContact CE1-CB 4.22Å; F126-A163 HydrophobicContact CG-CB 3.76Å
127	V	97.9	Very high	95.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.9	175.7	-171.7	0	0	0	0	108.3	L57 P66 L67 V69 L114 V133	L57-V127 HydrophobicContact CD2-CG1 4Å; P66-V127 CarbonylContact C-O 3.56Å; P66-V127 WeakPolarHBondContact CA-O 3.43Å; L67-V127 HydrophobicContact CB-CB 4.17Å; L67-V127 HydrophobicContact CD2-CB 4.44Å; L67-V127 HydrophobicContact CD2-CG2 4.5Å; L67-V127 PolarHBondContact N-O 3.47Å; L67-V127 PolarHBondContact O-N 3.45Å; V69-V127 HydrophobicContact CG2-CG2 4.46Å; L114-V127 HydrophobicContact CD2-CG2 4.1Å; V127-V133 HydrophobicContact CG2-CG2 4.26Å
128	D	97.5	Very high	96.1	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	20%	0.201	C	C	.	.			trans	-73.7	151.7	176.9	-172.7	-92.1	0	0	0	110.8	S130 M131 T132 R134 L166 L167	D128-S130 PolarHBondContact O-N 3.37Å; D128-S130 WeakPolarHBondContact OD1-CB 3.34Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 PolarHBondContact OD1-OG 2.97Å; D128-M131 WeakPolarHBondContact O-CA 3.46Å; D128-M131 PolarHBondContact O-N 2.88Å; D128-T132 WeakPolarHBondContact CB-O 3.35Å; D128-T132 PolarHBondContact N-O 3.42Å; D128-R134 HydrophobicContact CB-CG 4.23Å; D128-L166 WeakPolarHBondContact OD2-CA 3.25Å; D128-L167 HydrophobicContact CB-CD1 4.05Å; D128-L167 HydrophobicContact CB-CG 4.26Å; D128-L167 PolarHBondContact OD2-N 3.42Å
129	P	96.5	Very high	96.2	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.071	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21	174.8	-26.6	35.9	0	0	0	114.7	M131 L166	P129-M131 PolarHBondContact O-N 3.36Å; P129-L166 HydrophobicContact CG-CD1 4.2Å; P129-L166 HydrophobicContact CG-CD2 3.83Å
130	S	94.8	Very high	96.2	Very high	61 Å²	61	34.8 Å²	34.8	43%	0.427	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	2.7	168.9	62.1	0	0	0	0	114.7	D128 T132	D128-S130 PolarHBondContact O-N 3.37Å; D128-S130 WeakPolarHBondContact OD1-CB 3.34Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 PolarHBondContact OD1-OG 2.97Å; S130-T132 PolarHBondContact O-N 2.97Å; S130-T132 PolarHBondContact OG-OG1 2.9Å; S130-T132 VanDerWaalsContact OG-OG1 3.14Å
131	M	93	Very high	96.1	Very high	98 Å²	98	35 Å²	35	48%	0.483	19%	0.193	S	C	.	.	S	Bend	trans	66.6	20.9	-173.2	-56.4	168.3	166.4	0	0	113.5	D128 P129	D128-M131 WeakPolarHBondContact O-CA 3.46Å; D128-M131 PolarHBondContact O-N 2.88Å; P129-M131 PolarHBondContact O-N 3.36Å
132	T	94.8	Very high	95.9	Very high	67 Å²	67	38.7 Å²	38.7	41%	0.411	22%	0.221	S	C	.	.			trans	-97.4	125.3	178.8	-55.5	0	0	0	0	110.5	D128 S130 R134 L167	D128-T132 WeakPolarHBondContact CB-O 3.35Å; D128-T132 PolarHBondContact N-O 3.42Å; S130-T132 PolarHBondContact O-N 2.97Å; S130-T132 PolarHBondContact OG-OG1 2.9Å; S130-T132 VanDerWaalsContact OG-OG1 3.14Å; T132-R134 PolarHBondContact O-N 3.28Å; T132-L167 HydrophobicContact CG2-CD1 3.91Å
133	V	96.4	Very high	95.8	Very high	26 Å²	26	43.5 Å²	43.5	16%	0.158	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-65.5	127.7	171.5	179.2	0	0	0	0	109.7	H113 L114 I125 V127 A135	H113-V133 HydrophobicContact CB-CB 4.49Å; H113-V133 HydrophobicContact CB-CG2 3.79Å; L114-V133 HydrophobicContact CD2-CG2 3.89Å; I125-V133 HydrophobicContact CG2-CG1 3.6Å; V127-V133 HydrophobicContact CG2-CG2 4.26Å; V133-A135 VanDerWaalsContact C-N 3.27Å; V133-A135 PolarHBondContact O-N 3.42Å
134	R	96.5	Very high	95.7	Very high	13 Å²	13	48.3 Å²	48.3	5%	0.049	26%	0.264	C	S	.	.			trans	-80.3	70.8	-179.3	-68.9	-65.2	-57.7	-89.9	-2.1	111.4	F126 D128 T132 D136 I137 K165	F126-R134 HydrophobicContact CB-CB 4.1Å; F126-R134 HydrophobicContact CB-CG 4.44Å; F126-R134 WeakPolarHBondContact O-CB 3.24Å; F126-R134 PolarHBondContact O-N 3.23Å; D128-R134 HydrophobicContact CB-CG 4.23Å; T132-R134 PolarHBondContact O-N 3.28Å; R134-D136 IonicContact CZ-OD1 3.59Å; R134-D136 IonicContact CZ-OD2 3.24Å; R134-D136 IonicContact NE-OD1 2.99Å; R134-D136 PolarHBondContact NE-OD1 3.45Å; R134-D136 IonicContact NE-OD2 3.4Å; R134-D136 IonicContact NH2-OD1 3.26Å; R134-D136 PolarHBondContact NH2-OD1 2.85Å; R134-D136 IonicContact NH2-OD2 2.69Å; R134-D136 PolarHBondContact NH2-OD2 3.24Å; R134-D136 PolarHBondContact O-N 3.37Å; R134-D136 VanDerWaalsContact O-N 3.12Å; R134-I137 HydrophobicContact CB-CB 4.5Å; R134-I137 HydrophobicContact CB-CD1 3.84Å; R134-I137 HydrophobicContact CB-CG1 4.02Å; R134-I137 HydrophobicContact CG-CD1 4.27Å; R134-I137 PolarHBondContact O-N 2.69Å; R134-K165 PolarHBondContact NH1-O 2.97Å
135	A	94.4	Very high	95.6	Very high	60 Å²	60	51.3 Å²	51.3	50%	0.496	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	179.6	0	0	0	0	0	113.6	V133 I137 Y146	V133-A135 VanDerWaalsContact C-N 3.27Å; V133-A135 PolarHBondContact O-N 3.42Å; A135-I137 PolarHBondContact O-N 2.71Å; A135-Y146 WeakPolarHBondContact CA-OH 3.08Å
136	D	94.7	Very high	95.5	Very high	72 Å²	72	51.6 Å²	51.6	39%	0.385	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.9	174.4	70.7	-64.2	0	0	0	114.1	R134 K162	R134-D136 IonicContact CZ-OD1 3.59Å; R134-D136 IonicContact CZ-OD2 3.24Å; R134-D136 IonicContact NE-OD1 2.99Å; R134-D136 PolarHBondContact NE-OD1 3.45Å; R134-D136 IonicContact NE-OD2 3.4Å; R134-D136 IonicContact NH2-OD1 3.26Å; R134-D136 PolarHBondContact NH2-OD1 2.85Å; R134-D136 IonicContact NH2-OD2 2.69Å; R134-D136 PolarHBondContact NH2-OD2 3.24Å; R134-D136 PolarHBondContact O-N 3.37Å; R134-D136 VanDerWaalsContact O-N 3.12Å; D136-K162 PolarHBondContact O-NZ 3.05Å; D136-K162 WeakPolarHBondContact OD2-CE 3.46Å; D136-K162 IonicContact OD2-NZ 2.75Å; D136-K162 PolarHBondContact OD2-NZ 2.78Å; D136-K162 VanDerWaalsContact OD2-NZ 3.15Å
137	I	97	Very high	95.5	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.284	C	S	.	.			trans	-105.8	97.2	179.7	-54.2	-177.9	0	0	0	108.8	F126 R134 A135 Y146 N159 K162 A163	F126-I137 HydrophobicContact CB-CD1 4.33Å; F126-I137 HydrophobicContact CD2-CB 4.2Å; F126-I137 HydrophobicContact CD2-CD1 4.32Å; F126-I137 HydrophobicContact CD2-CG2 3.65Å; F126-I137 HydrophobicContact CE2-CG2 3.87Å; F126-I137 HydrophobicContact CG-CD1 4.49Å; R134-I137 HydrophobicContact CB-CB 4.5Å; R134-I137 HydrophobicContact CB-CD1 3.84Å; R134-I137 HydrophobicContact CB-CG1 4.02Å; R134-I137 HydrophobicContact CG-CD1 4.27Å; R134-I137 PolarHBondContact O-N 2.69Å; A135-I137 PolarHBondContact O-N 2.71Å; I137-Y146 WeakPolarHBondContact O-CE1 3.33Å; I137-N159 HydrophobicContact CG2-CB 3.47Å; I137-N159 VanDerWaalsContact CG2-CB 3.47Å; I137-N159 VanDerWaalsContact CG2-CG 3.48Å; I137-K162 HydrophobicContact CD1-CB 4.37Å; I137-K162 HydrophobicContact CD1-CG 4.23Å; I137-K162 HydrophobicContact CG1-CD 4.03Å; I137-K162 HydrophobicContact CG1-CG 4.27Å; I137-A163 HydrophobicContact CD1-CB 3.72Å
138	T	96.6	Very high	95.5	Very high	55 Å²	55	52.3 Å²	52.3	34%	0.337	29%	0.285	S	S	.	.			trans	-117.7	153.2	-178.1	63.2	0	0	0	0	111.5	M145 Y146 N159	T138-M145 CarbonylContact C-O 3.51Å; T138-M145 VanDerWaalsContact CA-O 3.23Å; T138-M145 WeakPolarHBondContact CA-O 3.24Å; T138-M145 WeakPolarHBondContact CB-O 3.46Å; T138-M145 HydrophobicContact CG2-CB 4.01Å; T138-M145 HydrophobicContact CG2-SD 4.35Å; T138-Y146 HydrophobicContact CG2-CE1 4.48Å; T138-N159 PolarHBondContact O-ND2 2.92Å
139	G	95.1	Very high	95.4	Very high	13 Å²	13	55.3 Å²	55.3	13%	0.134	30%	0.299	C	S	.	.			trans	-74.5	-161.3	166.2	0	0	0	0	0	112.4	M145	G139-M145 PolarHBondContact N-O 3.08Å
140	R	95	Very high	95.4	Very high	160 Å²	160	57.2 Å²	57.2	60%	0.604	31%	0.311	S	S	*	.	S	Bend	trans	-81.9	-28.8	-172.7	179.6	177.4	-74.9	166.6	-0.6	113.8	D152 L155	R140-D152 IonicContact CZ-OD1 3.5Å; R140-D152 VanDerWaalsContact CZ-OD1 3.22Å; R140-D152 IonicContact NE-OD1 3.71Å; R140-D152 IonicContact NH1-OD1 3.15Å; R140-D152 PolarHBondContact NH1-OD1 2.75Å; R140-D152 VanDerWaalsContact NH1-OD1 3.08Å; R140-D152 IonicContact NH2-OD1 3.4Å; R140-L155 HydrophobicContact CB-CD2 4.19Å
141	Y	94.1	Very high	95.5	Very high	43 Å²	43	58.1 Å²	58.1	17%	0.169	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-93.1	117.4	-166.4	-48.1	-78.1	0	0	0	111.1	N143 R144 M145 A147 E149 D152	Y141-N143 VanDerWaalsContact C-N 3.28Å; Y141-N143 PolarHBondContact O-N 2.78Å; Y141-R144 CarbonylContact O-C 3.43Å; Y141-R144 PolarHBondContact O-N 2.99Å; Y141-R144 VanDerWaalsContact O-N 3.14Å; Y141-R144 VanDerWaalsContact O-O 3.08Å; Y141-M145 VanDerWaalsContact O-CA 3.3Å; Y141-M145 WeakPolarHBondContact O-CA 3.39Å; Y141-M145 PolarHBondContact O-N 3Å; Y141-M145 VanDerWaalsContact O-N 3.15Å; Y141-A147 HydrophobicContact CD2-CB 4.17Å; Y141-E149 HydrophobicContact CE2-CG 4Å; Y141-E149 WeakPolarHBondContact OH-CG 3.32Å; Y141-E149 PolarHBondContact OH-OE2 3.42Å; Y141-D152 VanDerWaalsContact CE2-OD2 3.28Å; Y141-D152 WeakPolarHBondContact CE2-OD2 3.44Å; Y141-D152 PolarHBondContact OH-OD2 3.28Å
142	S	91.8	Very high	95.7	Very high	114 Å²	114	53.6 Å²	53.6	80%	0.797	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	-179.1	54.4	0	0	0	0	113.7
143	N	93.2	Very high	95.8	Very high	108 Å²	108	51.5 Å²	51.5	58%	0.578	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.9	176.7	68.3	-32.9	0	0	0	113.6	Y141	Y141-N143 VanDerWaalsContact C-N 3.28Å; Y141-N143 PolarHBondContact O-N 2.78Å
144	R	95.4	Very high	95.9	Very high	101 Å²	101	58.1 Å²	58.1	38%	0.381	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-147.7	71.7	-179.2	-68.4	-179	-72.8	-169.5	1.6	108.4	D117 Y120 Y141 Y146 A147	D117-R144 WeakPolarHBondContact OD2-CA 3.45Å; Y120-R144 HydrophobicContact CD1-CB 4.35Å; Y120-R144 HydrophobicContact CD1-CG 3.86Å; Y120-R144 HydrophobicContact CD2-CB 4.35Å; Y120-R144 HydrophobicContact CD2-CG 4.34Å; Y120-R144 HydrophobicContact CE1-CB 3.88Å; Y120-R144 HydrophobicContact CE1-CG 3.83Å; Y120-R144 HydrophobicContact CE2-CB 3.9Å; Y120-R144 HydrophobicContact CE2-CG 4.34Å; Y120-R144 HydrophobicContact CG-CG 4.12Å; Y120-R144 WeakPolarHBondContact OH-CA 3.26Å; Y141-R144 CarbonylContact O-C 3.43Å; Y141-R144 PolarHBondContact O-N 2.99Å; Y141-R144 VanDerWaalsContact O-N 3.14Å; Y141-R144 VanDerWaalsContact O-O 3.08Å; R144-Y146 PolarHBondContact O-N 2.93Å; R144-Y146 VanDerWaalsContact O-N 3.09Å; R144-A147 HydrophobicContact CB-CB 3.75Å; R144-A147 WeakPolarHBondContact O-CB 3.26Å; R144-A147 PolarHBondContact O-N 3.02Å; R144-A147 VanDerWaalsContact O-N 3.09Å
145	M	96.3	Very high	96	Very high	65 Å²	65	60 Å²	60	32%	0.32	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.4	-167.8	-65.8	-167.7	-70.3	0	0	114.2	D117 Y120 T138 G139 Y141	D117-M145 HydrophobicContact CB-CE 3.9Å; D117-M145 PolarHBondContact OD2-N 3.27Å; Y120-M145 PolarHBondContact OH-N 2.77Å; T138-M145 CarbonylContact C-O 3.51Å; T138-M145 VanDerWaalsContact CA-O 3.23Å; T138-M145 WeakPolarHBondContact CA-O 3.24Å; T138-M145 WeakPolarHBondContact CB-O 3.46Å; T138-M145 HydrophobicContact CG2-CB 4.01Å; T138-M145 HydrophobicContact CG2-SD 4.35Å; G139-M145 PolarHBondContact N-O 3.08Å; Y141-M145 VanDerWaalsContact O-CA 3.3Å; Y141-M145 WeakPolarHBondContact O-CA 3.39Å; Y141-M145 PolarHBondContact O-N 3Å; Y141-M145 VanDerWaalsContact O-N 3.15Å
146	Y	97.3	Very high	96.2	Very high	5 Å²	5	57.2 Å²	57.2	2%	0.02	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	10.4	-178.3	-54.6	-78.4	0	0	0	112.3	P116 D117 Y120 R123 I124 I125 A135 I137 T138 R144 Y148	P116-Y146 HydrophobicContact CG-CD2 4.29Å; P116-Y146 HydrophobicContact CG-CE2 3.41Å; P116-Y146 VanDerWaalsContact CG-CE2 3.41Å; D117-Y146 WeakPolarHBondContact OD1-CD2 3.45Å; Y120-Y146 PolarHBondContact OH-N 3.44Å; R123-Y146 WeakPolarHBondContact CA-O 3.37Å; I124-Y146 PolarHBondContact N-O 3.13Å; I125-Y146 HydrophobicContact CD1-CG 4.48Å; I125-Y146 HydrophobicContact CG1-CD1 3.99Å; I125-Y146 HydrophobicContact CG1-CG 3.97Å; A135-Y146 WeakPolarHBondContact CA-OH 3.08Å; I137-Y146 WeakPolarHBondContact O-CE1 3.33Å; T138-Y146 HydrophobicContact CG2-CE1 4.48Å; R144-Y146 PolarHBondContact O-N 2.93Å; R144-Y146 VanDerWaalsContact O-N 3.09Å; Y146-Y148 WeakPolarHBondContact O-CD2 3.14Å; Y146-Y148 WeakPolarHBondContact O-CE2 3.44Å
147	A	96.9	Very high	96.3	Very high	12 Å²	12	55 Å²	55	10%	0.099	28%	0.283	C	S	.	.			trans	-80.6	143.3	170.8	0	0	0	0	0	111	Y120 Y141 R144	Y120-A147 HydrophobicContact CD2-CB 4.16Å; Y120-A147 HydrophobicContact CE2-CB 3.64Å; Y141-A147 HydrophobicContact CD2-CB 4.17Å; R144-A147 HydrophobicContact CB-CB 3.75Å; R144-A147 WeakPolarHBondContact O-CB 3.26Å; R144-A147 PolarHBondContact O-N 3.02Å; R144-A147 VanDerWaalsContact O-N 3.09Å
148	Y	97.4	Very high	96.4	Very high	6 Å²	6	57.9 Å²	57.9	2%	0.024	30%	0.304	C	S	.	.			trans	-133	131.5	173.2	-62.8	-95.4	0	0	0	108.7	I124 Y146 D152 L155 L156 N159	I124-Y148 HydrophobicContact CB-CD2 3.91Å; I124-Y148 HydrophobicContact CB-CE2 3.82Å; I124-Y148 HydrophobicContact CD1-CD2 3.99Å; I124-Y148 HydrophobicContact CD1-CG 4.5Å; I124-Y148 HydrophobicContact CG1-CD2 4.15Å; Y146-Y148 WeakPolarHBondContact O-CD2 3.14Å; Y146-Y148 WeakPolarHBondContact O-CE2 3.44Å; Y148-D152 HydrophobicContact CD1-CB 4.3Å; Y148-L155 HydrophobicContact CE1-CG 4.46Å; Y148-L156 HydrophobicContact CD1-CB 3.84Å; Y148-L156 HydrophobicContact CD1-CD1 4.24Å; Y148-L156 HydrophobicContact CD2-CD1 4.41Å; Y148-L156 HydrophobicContact CE1-CB 4.04Å; Y148-L156 HydrophobicContact CE1-CD1 4.01Å; Y148-L156 HydrophobicContact CE2-CD1 4.21Å; Y148-L156 HydrophobicContact CG-CB 4.47Å; Y148-L156 HydrophobicContact CG-CD1 4.43Å; Y148-N159 PolarHBondContact OH-ND2 2.91Å
149	E	96.1	Very high	96.5	Very high	71 Å²	71	56 Å²	56	33%	0.332	29%	0.291	S	S	.	.			trans	-95.4	164.3	169.9	-66.5	-174	177.7	0	0	110.2	Y141 S151 D152	Y141-E149 HydrophobicContact CE2-CG 4Å; Y141-E149 WeakPolarHBondContact OH-CG 3.32Å; Y141-E149 PolarHBondContact OH-OE2 3.42Å; E149-S151 PolarHBondContact O-N 2.99Å; E149-S151 VanDerWaalsContact O-N 3.09Å; E149-D152 PolarHBondContact N-OD2 3.24Å; E149-D152 WeakPolarHBondContact O-CA 3.25Å; E149-D152 WeakPolarHBondContact O-CB 3.35Å; E149-D152 PolarHBondContact O-N 2.84Å
150	P	97.1	Very high	96.6	Very high	50 Å²	50	55.3 Å²	55.3	33%	0.325	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-54.7	-31.7	179	-28.9	36.1	0	0	0	114.5	V85 D152 I153	V85-P150 HydrophobicContact CG1-CB 3.97Å; V85-P150 HydrophobicContact CG2-CB 3.97Å; P150-D152 PolarHBondContact O-N 2.82Å; P150-I153 PolarHBondContact O-N 3.45Å
151	S	97	Very high	96.8	Very high	81 Å²	81	52.6 Å²	52.6	57%	0.566	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.7	174.6	51.8	0	0	0	0	113.9	E149 I153	E149-S151 PolarHBondContact O-N 2.99Å; E149-S151 VanDerWaalsContact O-N 3.09Å; S151-I153 VanDerWaalsContact C-N 3.32Å
152	D	97.3	Very high	96.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.011	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-91.7	9.6	-177.1	-55.4	-42.6	0	0	0	112.4	R140 Y141 Y148 E149 P150 K154 L155 L156	R140-D152 IonicContact CZ-OD1 3.5Å; R140-D152 VanDerWaalsContact CZ-OD1 3.22Å; R140-D152 IonicContact NE-OD1 3.71Å; R140-D152 IonicContact NH1-OD1 3.15Å; R140-D152 PolarHBondContact NH1-OD1 2.75Å; R140-D152 VanDerWaalsContact NH1-OD1 3.08Å; R140-D152 IonicContact NH2-OD1 3.4Å; Y141-D152 VanDerWaalsContact CE2-OD2 3.28Å; Y141-D152 WeakPolarHBondContact CE2-OD2 3.44Å; Y141-D152 PolarHBondContact OH-OD2 3.28Å; Y148-D152 HydrophobicContact CD1-CB 4.3Å; E149-D152 PolarHBondContact N-OD2 3.24Å; E149-D152 WeakPolarHBondContact O-CA 3.25Å; E149-D152 WeakPolarHBondContact O-CB 3.35Å; E149-D152 PolarHBondContact O-N 2.84Å; P150-D152 PolarHBondContact O-N 2.82Å; D152-K154 PolarHBondContact O-N 3.46Å; D152-L155 HydrophobicContact CB-CB 4.41Å; D152-L155 CarbonylContact O-C 3.57Å; D152-L155 WeakPolarHBondContact O-CA 2.92Å; D152-L155 VanDerWaalsContact O-CB 3.3Å; D152-L155 WeakPolarHBondContact O-CB 3.4Å; D152-L155 PolarHBondContact O-N 3.42Å; D152-L156 PolarHBondContact O-N 3.49Å
153	I	97.3	Very high	97.2	Very high	23 Å²	23	49 Å²	49	12%	0.118	25%	0.25	C	S	.	.	H	α-helix	trans	-56	-37.9	-176	-159.2	62.6	0	0	0	113	M82 V85 D89 I92 P150 S151 L156 L157	M82-I153 HydrophobicContact CE-CD1 3.6Å; V85-I153 HydrophobicContact CB-CD1 4.37Å; V85-I153 HydrophobicContact CG2-CD1 3.85Å; V85-I153 HydrophobicContact CG2-CG1 4.43Å; D89-I153 HydrophobicContact CB-CG1 4.34Å; I92-I153 HydrophobicContact CD1-CD1 3.2Å; I92-I153 HydrophobicContact CD1-CG1 3.46Å; I92-I153 VanDerWaalsContact CD1-CG1 3.46Å; P150-I153 PolarHBondContact O-N 3.45Å; S151-I153 VanDerWaalsContact C-N 3.32Å; I153-L156 HydrophobicContact CD1-CD2 4.39Å; I153-L156 WeakPolarHBondContact O-CB 3.35Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L157 PolarHBondContact O-N 3.5Å
154	K	97.6	Very high	97.3	Very high	166 Å²	166	47.9 Å²	47.9	72%	0.722	24%	0.24	S	C	*	.	H	α-helix	trans	-69.3	-34	175.8	-64.5	-176	-179.8	-179.7	0	112.6	D152 S158	D152-K154 PolarHBondContact O-N 3.46Å; K154-S158 PolarHBondContact O-N 2.91Å; K154-S158 PolarHBondContact O-OG 3.01Å
155	L	98.1	Very high	97.3	Very high	53 Å²	53	50.7 Å²	50.7	28%	0.277	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-43.3	173.5	175.7	62.6	0	0	0	109.9	R140 Y148 D152 L157 S158 N159	R140-L155 HydrophobicContact CB-CD2 4.19Å; Y148-L155 HydrophobicContact CE1-CG 4.46Å; D152-L155 HydrophobicContact CB-CB 4.41Å; D152-L155 CarbonylContact O-C 3.57Å; D152-L155 WeakPolarHBondContact O-CA 2.92Å; D152-L155 VanDerWaalsContact O-CB 3.3Å; D152-L155 WeakPolarHBondContact O-CB 3.4Å; D152-L155 PolarHBondContact O-N 3.42Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 2.87Å; L155-S158 WeakPolarHBondContact O-CB 3.42Å; L155-S158 PolarHBondContact O-N 3.43Å; L155-S158 VanDerWaalsContact O-N 3.15Å; L155-N159 WeakPolarHBondContact O-CB 3.41Å; L155-N159 PolarHBondContact O-N 3.02Å
156	L	98.3	Very high	97.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-47.3	174.1	178.1	60.7	0	0	0	111.1	M68 M82 F86 I92 I124 F126 Y148 D152 I153 S158 N159 M160	M68-L156 HydrophobicContact CE-CD1 4.49Å; M82-L156 HydrophobicContact CE-CD2 3.42Å; M82-L156 VanDerWaalsContact CE-CD2 3.42Å; F86-L156 HydrophobicContact CD2-CD2 3.81Å; F86-L156 HydrophobicContact CE2-CD2 4.09Å; I92-L156 HydrophobicContact CD1-CD2 4.19Å; I92-L156 HydrophobicContact CD1-CG 4.44Å; I124-L156 HydrophobicContact CD1-CD1 3.99Å; I124-L156 HydrophobicContact CD1-CD2 3.68Å; I124-L156 HydrophobicContact CG2-CD1 4.08Å; F126-L156 HydrophobicContact CE2-CD1 4.47Å; F126-L156 HydrophobicContact CZ-CD1 4.03Å; Y148-L156 HydrophobicContact CD1-CB 3.84Å; Y148-L156 HydrophobicContact CD1-CD1 4.24Å; Y148-L156 HydrophobicContact CD2-CD1 4.41Å; Y148-L156 HydrophobicContact CE1-CB 4.04Å; Y148-L156 HydrophobicContact CE1-CD1 4.01Å; Y148-L156 HydrophobicContact CE2-CD1 4.21Å; Y148-L156 HydrophobicContact CG-CB 4.47Å; Y148-L156 HydrophobicContact CG-CD1 4.43Å; D152-L156 PolarHBondContact O-N 3.49Å; I153-L156 HydrophobicContact CD1-CD2 4.39Å; I153-L156 WeakPolarHBondContact O-CB 3.35Å; I153-L156 PolarHBondContact O-N 3.46Å; L156-S158 VanDerWaalsContact C-N 3.3Å; L156-S158 PolarHBondContact O-N 3.1Å; L156-N159 CarbonylContact O-C 3.58Å; L156-N159 WeakPolarHBondContact O-CB 3.07Å; L156-N159 PolarHBondContact O-N 2.8Å; L156-N159 VanDerWaalsContact O-N 3.09Å; L156-M160 HydrophobicContact CD1-CG 4.31Å; L156-M160 HydrophobicContact CG-CG 4.41Å; L156-M160 HydrophobicContact CG-SD 4.15Å; L156-M160 VanDerWaalsContact O-CG 3.31Å; L156-M160 WeakPolarHBondContact O-CG 3.32Å; L156-M160 PolarHBondContact O-N 2.93Å
157	L	98.3	Very high	96.9	Very high	25 Å²	25	53.5 Å²	53.5	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-42.9	175.9	179.3	61.7	0	0	0	112	D91 I92 V95 I153 L155 N159 M160 Q161	D91-L157 HydrophobicContact CB-CD1 4.22Å; D91-L157 HydrophobicContact CB-CD2 3.85Å; I92-L157 HydrophobicContact CD1-CB 4.48Å; I92-L157 HydrophobicContact CG1-CB 4.05Å; I92-L157 HydrophobicContact CG1-CD1 4.03Å; V95-L157 HydrophobicContact CG2-CD1 4.04Å; I153-L157 PolarHBondContact O-N 3.5Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 2.87Å; L157-N159 VanDerWaalsContact C-N 3.32Å; L157-N159 PolarHBondContact O-N 3.06Å; L157-M160 PolarHBondContact O-N 3.2Å; L157-Q161 WeakPolarHBondContact O-CG 3.35Å; L157-Q161 PolarHBondContact O-N 2.89Å
158	S	98.3	Very high	96.2	Very high	62 Å²	62	61.9 Å²	61.9	43%	0.434	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-38.9	175.9	-57.2	0	0	0	0	111.9	K154 L155 L156 Q161 K162	K154-S158 PolarHBondContact O-N 2.91Å; K154-S158 PolarHBondContact O-OG 3.01Å; L155-S158 WeakPolarHBondContact O-CB 3.42Å; L155-S158 PolarHBondContact O-N 3.43Å; L155-S158 VanDerWaalsContact O-N 3.15Å; L156-S158 VanDerWaalsContact C-N 3.3Å; L156-S158 PolarHBondContact O-N 3.1Å; S158-Q161 WeakPolarHBondContact O-CB 3.4Å; S158-Q161 PolarHBondContact O-N 3.43Å; S158-K162 PolarHBondContact O-N 2.77Å
159	N	98.4	Very high	94.6	Very high	15 Å²	15	67.4 Å²	67.4	8%	0.08	34%	0.34	C	S	.	.	H	α-helix	trans	-69.5	-38.6	176.6	-80.8	-8.6	0	0	0	112.3	F126 I137 T138 Y148 L155 L156 L157 Q161 K162 A163	F126-N159 HydrophobicContact CE2-CB 4.15Å; I137-N159 HydrophobicContact CG2-CB 3.47Å; I137-N159 VanDerWaalsContact CG2-CB 3.47Å; I137-N159 VanDerWaalsContact CG2-CG 3.48Å; T138-N159 PolarHBondContact O-ND2 2.92Å; Y148-N159 PolarHBondContact OH-ND2 2.91Å; L155-N159 WeakPolarHBondContact O-CB 3.41Å; L155-N159 PolarHBondContact O-N 3.02Å; L156-N159 CarbonylContact O-C 3.58Å; L156-N159 WeakPolarHBondContact O-CB 3.07Å; L156-N159 PolarHBondContact O-N 2.8Å; L156-N159 VanDerWaalsContact O-N 3.09Å; L157-N159 VanDerWaalsContact C-N 3.32Å; L157-N159 PolarHBondContact O-N 3.06Å; N159-Q161 VanDerWaalsContact C-N 3.32Å; N159-Q161 PolarHBondContact O-N 2.91Å; N159-K162 WeakPolarHBondContact O-CB 3.3Å; N159-K162 PolarHBondContact O-N 3.21Å; N159-A163 PolarHBondContact O-N 3.33Å
160	M	98.3	Very high	92.8	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-44.5	170.1	-67.6	168.9	77	0	0	110.5	M68 I92 V95 A96 L100 F126 L156 L157 K162 A163 K164	M68-M160 HydrophobicContact SD-CE 4.06Å; M68-M160 HydrophobicContact SD-CG 4.31Å; M68-M160 HydrophobicContact SD-SD 4.39Å; I92-M160 HydrophobicContact CB-SD 4.39Å; I92-M160 HydrophobicContact CG1-SD 4.01Å; I92-M160 HydrophobicContact CG2-CE 4.11Å; I92-M160 HydrophobicContact CG2-SD 4.03Å; V95-M160 HydrophobicContact CB-CE 4Å; V95-M160 HydrophobicContact CG1-CB 4.04Å; V95-M160 HydrophobicContact CG1-CE 3.95Å; A96-M160 HydrophobicContact CB-CE 4Å; L100-M160 HydrophobicContact CD1-CB 4.27Å; L100-M160 HydrophobicContact CD1-CE 3.52Å; L100-M160 HydrophobicContact CD1-CG 4.16Å; F126-M160 HydrophobicContact CE1-CB 4.47Å; F126-M160 HydrophobicContact CE1-CG 3.85Å; F126-M160 HydrophobicContact CZ-CB 4.47Å; F126-M160 HydrophobicContact CZ-CG 3.71Å; L156-M160 HydrophobicContact CD1-CG 4.31Å; L156-M160 HydrophobicContact CG-CG 4.41Å; L156-M160 HydrophobicContact CG-SD 4.15Å; L156-M160 VanDerWaalsContact O-CG 3.31Å; L156-M160 WeakPolarHBondContact O-CG 3.32Å; L156-M160 PolarHBondContact O-N 2.93Å; L157-M160 PolarHBondContact O-N 3.2Å; M160-K162 VanDerWaalsContact C-N 3.3Å; M160-K162 PolarHBondContact O-N 3.37Å; M160-A163 WeakPolarHBondContact O-CB 3.17Å; M160-A163 PolarHBondContact O-N 3.38Å; M160-K164 WeakPolarHBondContact O-CG 3.48Å; M160-K164 PolarHBondContact O-N 3.33Å
161	Q	97.8	Very high	90.1	Very high	103 Å²	103	81.5 Å²	81.5	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-34.7	175.1	-70.5	176.1	1.7	0	0	113	L157 S158 N159 K164	L157-Q161 WeakPolarHBondContact O-CG 3.35Å; L157-Q161 PolarHBondContact O-N 2.89Å; S158-Q161 WeakPolarHBondContact O-CB 3.4Å; S158-Q161 PolarHBondContact O-N 3.43Å; N159-Q161 VanDerWaalsContact C-N 3.32Å; N159-Q161 PolarHBondContact O-N 2.91Å; Q161-K164 WeakPolarHBondContact O-CB 3.49Å
162	K	97.5	Very high	89.7	Confident	81 Å²	81	81.6 Å²	81.6	35%	0.352	40%	0.4	S	S	.	.	H	α-helix	trans	-67.9	-40.3	173.3	-173.1	178	172.9	-166.3	0	111.4	D136 I137 S158 N159 M160 K164 K165	D136-K162 PolarHBondContact O-NZ 3.05Å; D136-K162 WeakPolarHBondContact OD2-CE 3.46Å; D136-K162 IonicContact OD2-NZ 2.75Å; D136-K162 PolarHBondContact OD2-NZ 2.78Å; D136-K162 VanDerWaalsContact OD2-NZ 3.15Å; I137-K162 HydrophobicContact CD1-CB 4.37Å; I137-K162 HydrophobicContact CD1-CG 4.23Å; I137-K162 HydrophobicContact CG1-CD 4.03Å; I137-K162 HydrophobicContact CG1-CG 4.27Å; S158-K162 PolarHBondContact O-N 2.77Å; N159-K162 WeakPolarHBondContact O-CB 3.3Å; N159-K162 PolarHBondContact O-N 3.21Å; M160-K162 VanDerWaalsContact C-N 3.3Å; M160-K162 PolarHBondContact O-N 3.37Å; K162-K164 VanDerWaalsContact C-N 3.27Å; K162-K164 PolarHBondContact O-N 2.89Å; K162-K165 WeakPolarHBondContact O-CB 3.46Å; K162-K165 PolarHBondContact O-N 3.04Å
163	A	97.3	Very high	89.3	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-34.9	178	0	0	0	0	0	112.3	P66 F126 I137 N159 M160 K165	P66-A163 WeakPolarHBondContact CG-O 3.36Å; F126-A163 HydrophobicContact CB-CB 3.99Å; F126-A163 HydrophobicContact CD1-CB 3.63Å; F126-A163 HydrophobicContact CD2-CB 4.46Å; F126-A163 HydrophobicContact CE1-CB 4.22Å; F126-A163 HydrophobicContact CG-CB 3.76Å; I137-A163 HydrophobicContact CD1-CB 3.72Å; N159-A163 PolarHBondContact O-N 3.33Å; M160-A163 WeakPolarHBondContact O-CB 3.17Å; M160-A163 PolarHBondContact O-N 3.38Å; A163-K165 PolarHBondContact O-N 3.48Å; A163-K165 VanDerWaalsContact O-N 3.14Å
164	K	95.6	Very high	88.9	Confident	84 Å²	84	89.2 Å²	89.2	37%	0.365	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.1	173.1	-66.3	175.1	60.8	164.2	0	113.8	V95 D99 M160 Q161 K162 L166	V95-K164 HydrophobicContact CG1-CD 4.14Å; D99-K164 HydrophobicContact CB-CD 3.8Å; D99-K164 HydrophobicContact CB-CG 3.97Å; D99-K164 VanDerWaalsContact OD1-CE 3.23Å; D99-K164 WeakPolarHBondContact OD1-CE 3.34Å; D99-K164 IonicContact OD1-NZ 2.8Å; D99-K164 PolarHBondContact OD1-NZ 2.98Å; D99-K164 WeakPolarHBondContact OD2-CE 3.46Å; D99-K164 IonicContact OD2-NZ 3.69Å; D99-K164 PolarHBondContact OD2-NZ 3.34Å; M160-K164 WeakPolarHBondContact O-CG 3.48Å; M160-K164 PolarHBondContact O-N 3.33Å; Q161-K164 WeakPolarHBondContact O-CB 3.49Å; K162-K164 VanDerWaalsContact C-N 3.27Å; K162-K164 PolarHBondContact O-N 2.89Å; K164-L166 PolarHBondContact O-N 2.54Å; K164-L166 VanDerWaalsContact O-N 3.14Å
165	K	95.1	Very high	88.4	Confident	160 Å²	160	84.7 Å²	84.7	70%	0.696	42%	0.42	S	S	*	.	S	Bend	trans	-80.2	95.5	173.7	-59.2	-178	-176.5	177.3	0	107.4	R134 K162 A163	R134-K165 PolarHBondContact NH1-O 2.97Å; K162-K165 WeakPolarHBondContact O-CB 3.46Å; K162-K165 PolarHBondContact O-N 3.04Å; A163-K165 PolarHBondContact O-N 3.48Å; A163-K165 VanDerWaalsContact O-N 3.14Å
166	L	94	Very high	87.8	Confident	59 Å²	59	86.7 Å²	86.7	31%	0.309	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-59.2	151.7	-179.3	-54	-172.8	0	0	0	111.1	P66 D128 P129 K164	P66-L166 HydrophobicContact CB-CD2 4.45Å; P66-L166 HydrophobicContact CG-CD2 4.17Å; D128-L166 WeakPolarHBondContact OD2-CA 3.25Å; P129-L166 HydrophobicContact CG-CD1 4.2Å; P129-L166 HydrophobicContact CG-CD2 3.83Å; K164-L166 PolarHBondContact O-N 2.54Å; K164-L166 VanDerWaalsContact O-N 3.14Å
167	L	91.2	Very high	87.1	Confident	70 Å²	70	92.5 Å²	92.5	37%	0.366	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-61.5	137.8	172.3	-64.5	176.9	0	0	0	109.5	D128 T132 T169	D128-L167 HydrophobicContact CB-CD1 4.05Å; D128-L167 HydrophobicContact CB-CG 4.26Å; D128-L167 PolarHBondContact OD2-N 3.42Å; T132-L167 HydrophobicContact CG2-CD1 3.91Å; L167-T169 PolarHBondContact O-N 3.24Å
168	K	81.9	Confident	86.3	Confident	188 Å²	188	97.3 Å²	97.3	82%	0.817	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-71.3	125.6	172.4	-66.2	-176.2	-179.5	-178.7	0	107.5	E170	K168-E170 PolarHBondContact O-N 3.05Å; K168-E170 VanDerWaalsContact O-N 3.16Å
169	T	64.5	Low	85.4	Confident	123 Å²	123	100 Å²	100	76%	0.755	49%	0.485	S	S	*	.			trans	-67.3	109	160.6	-8.5	0	0	0	0	106.3	L167 L171	L167-T169 PolarHBondContact O-N 3.24Å; T169-L171 PolarHBondContact O-N 3.17Å; T169-L171 VanDerWaalsContact O-N 3.09Å
170	E	57.4	Low	84.3	Confident	185 Å²	185	107.1 Å²	107.1	86%	0.864	52%	0.518	S	S	*	.			trans	-59.4	111.9	163	-63	-84.6	136.9	0	0	105.6	K168	K168-E170 PolarHBondContact O-N 3.05Å; K168-E170 VanDerWaalsContact O-N 3.16Å
171	L	41.1	Very low	83	Confident	232 Å²	232	116.8 Å²	116.8	100%	1.215	57%	0.566	S	S	*	*			trans	-101.9	0	174.4	-83.1	166	0	0	0	108.6	T169	T169-L171 PolarHBondContact O-N 3.17Å; T169-L171 VanDerWaalsContact O-N 3.09Å

Retrieved 171 of 171 residues in 528.2 ms (Link to these results)

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