A0A077YZ29_TRITR Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial

AlphaFold DB , UniProt , Accession A0A077YZ29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 262 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	39.6	Very low	38	Very low	239 Å²	239	171 Å²	171	100%	1.177	88%	0.88	S	S	*	*				0	82.2	0	-75.8	-153.9	-86.6	0	0	109.4
2	E	37.5	Very low	38	Very low	192 Å²	192	162.8 Å²	162.8	90%	0.897	87%	0.87	S	S	*	*			trans	171.6	-0.2	150.9	-108.6	-174.9	151.8	0	0	117.1
3	K	37.8	Very low	37.8	Very low	209 Å²	209	169.9 Å²	169.9	91%	0.909	88%	0.877	S	S	*	*	S	Bend	trans	-142.7	85.8	178.7	-72.8	-178	178.2	174.9	0	112.4
4	A	41.3	Very low	37.9	Very low	99 Å²	99	166.7 Å²	166.7	82%	0.818	88%	0.877	S	S	*	*			trans	170.5	76	153.1	0	0	0	0	0	110.7
5	M	36.5	Very low	37.8	Very low	196 Å²	196	159.9 Å²	159.9	97%	0.966	86%	0.863	S	S	*	*			trans	-166.4	84.6	166.2	-97.3	-63.9	-159	0	0	108.3
6	S	36.3	Very low	37.8	Very low	111 Å²	111	165.4 Å²	165.4	78%	0.776	87%	0.867	S	S	*	*			trans	-167.4	149.7	162	-169.1	0	0	0	0	110.1
7	V	41.2	Very low	37.4	Very low	123 Å²	123	166.4 Å²	166.4	75%	0.745	87%	0.872	S	S	*	*			trans	85.2	113.8	172.3	-166.4	0	0	0	0	112.5
8	L	34.6	Very low	37.7	Very low	163 Å²	163	162.1 Å²	162.1	85%	0.853	87%	0.865	S	S	*	*			cis	-164.2	146	18.4	-163.2	69.5	0	0	0	108.9
9	R	32.1	Very low	37.8	Very low	228 Å²	228	160.8 Å²	160.8	86%	0.86	86%	0.864	S	S	*	*			trans	-123.2	145.1	171.6	-147	-171.3	-120	-155.8	3.1	107.1
10	L	38.1	Very low	38.1	Very low	147 Å²	147	157.3 Å²	157.3	77%	0.77	86%	0.858	S	S	*	*			trans	104.5	142.4	165.8	-79.5	97.9	0	0	0	120.5
11	L	42.7	Very low	38.4	Very low	174 Å²	174	154.9 Å²	154.9	91%	0.911	85%	0.853	S	S	*	*			trans	90	114.8	170.2	-60.2	144.5	0	0	0	113.8
12	G	38.8	Very low	38.1	Very low	73 Å²	73	148.1 Å²	148.1	75%	0.753	83%	0.828	S	S	*	*			cis	117	93.3	22.6	0	0	0	0	0	109.7
13	R	35.5	Very low	37.9	Very low	255 Å²	255	146.3 Å²	146.3	96%	0.962	82%	0.824	S	S	*	*			trans	29.6	120.1	160.8	-92.5	177.3	166.4	-179.7	-3.9	119.7
14	S	38.6	Very low	37.8	Very low	125 Å²	125	145.3 Å²	145.3	87%	0.874	82%	0.815	S	S	*	*				137.3	123.5	119.8	-172	0	0	0	0	113.6
15	G	36	Very low	37.8	Very low	65 Å²	65	145 Å²	145	67%	0.67	81%	0.807	S	S	*	*			trans	87.7	94.5	142.6	0	0	0	0	0	118
16	R	37.7	Very low	37.9	Very low	248 Å²	248	143.9 Å²	143.9	94%	0.936	80%	0.797	S	S	*	*				155.9	117.8	116.7	-84.1	173.6	-175.4	-170.6	1.7	109.1	A18	R16-A18 PolarHBondContact O-N 2.97Å
17	L	32	Very low	38	Very low	181 Å²	181	143.6 Å²	143.6	95%	0.948	79%	0.793	S	S	*	*			trans	-63.9	96.5	166.4	-85.5	115.8	0	0	0	108.4
18	A	42.4	Very low	38.4	Very low	90 Å²	90	145.2 Å²	145.2	74%	0.744	80%	0.798	S	S	*	*			trans	-88.7	109.4	161.2	0	0	0	0	0	107.3	R16 A20	R16-A18 PolarHBondContact O-N 2.97Å; A18-A20 PolarHBondContact O-N 3.26Å
19	T	38.8	Very low	39.4	Very low	138 Å²	138	141.4 Å²	141.4	85%	0.847	79%	0.79	S	S	*	*			trans	-65.6	86.9	165.8	46.5	0	0	0	0	108.2	S21	T19-S21 PolarHBondContact O-N 2.9Å
20	A	45.3	Very low	40.6	Very low	90 Å²	90	136 Å²	136	74%	0.744	79%	0.785	S	S	*	*			trans	-68.9	114.9	168.3	0	0	0	0	0	107.5	A18 C22	A18-A20 PolarHBondContact O-N 3.26Å; A20-C22 PolarHBondContact O-N 2.89Å
21	S	43.9	Very low	41.6	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	79%	0.791	S	S	*	*			trans	-55.8	113.6	172.2	55	0	0	0	0	108.3	T19 N23	T19-S21 PolarHBondContact O-N 2.9Å; S21-N23 PolarHBondContact O-N 3.48Å
22	C	32.7	Very low	42.7	Very low	97 Å²	97	139.1 Å²	139.1	66%	0.655	78%	0.782	S	S	*	*			trans	-73.2	79.8	176.1	-169.9	0	0	0	0	107.8	A20 R24	A20-C22 PolarHBondContact O-N 2.89Å; C22-R24 PolarHBondContact O-N 3.02Å; C22-R24 VanDerWaalsContact SG-CG 3.59Å
23	N	34.6	Very low	44.6	Very low	153 Å²	153	142.3 Å²	142.3	82%	0.818	78%	0.775	S	S	*	*			trans	-68.8	77.7	156.1	-89.6	-3	0	0	0	106.9	S21 S25	S21-N23 PolarHBondContact O-N 3.48Å; N23-S25 PolarHBondContact O-N 2.85Å
24	R	35.7	Very low	47	Very low	189 Å²	189	136.7 Å²	136.7	71%	0.713	77%	0.772	S	S	*	*			trans	-62.7	85.8	161	-104.7	168.5	-176	-160	1.1	106.3	C22 F26	C22-R24 PolarHBondContact O-N 3.02Å; C22-R24 VanDerWaalsContact SG-CG 3.59Å; R24-F26 HydrophobicContact CB-CD2 4.44Å; R24-F26 PolarHBondContact O-N 2.73Å
25	S	39.8	Very low	49.6	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	77%	0.768	S	S	*	*			trans	-63	96.2	147.8	59.2	0	0	0	0	105.1	N23 C27	N23-S25 PolarHBondContact O-N 2.85Å; S25-C27 PolarHBondContact O-N 2.96Å; S25-C27 PolarHBondContact O-SG 2.87Å; S25-C27 VanDerWaalsContact O-SG 3.32Å
26	F	38.1	Very low	52.1	Low	172 Å²	172	139 Å²	139	75%	0.754	76%	0.762	S	S	*	*			trans	-62.1	77.5	152.2	-103.3	-92	0	0	0	105.5	R24 N28	R24-F26 HydrophobicContact CB-CD2 4.44Å; R24-F26 PolarHBondContact O-N 2.73Å; F26-N28 VanDerWaalsContact C-N 3.31Å; F26-N28 PolarHBondContact O-N 3.09Å
27	C	39.6	Very low	54.5	Low	104 Å²	104	136.3 Å²	136.3	70%	0.703	75%	0.752	S	S	*	*			trans	-71.2	92.7	-179.8	30.9	0	0	0	0	107.7	S25 A29	S25-C27 PolarHBondContact O-N 2.96Å; S25-C27 PolarHBondContact O-SG 2.87Å; S25-C27 VanDerWaalsContact O-SG 3.32Å; C27-A29 PolarHBondContact O-N 3.35Å
28	N	49.4	Very low	57.1	Low	158 Å²	158	130 Å²	130	85%	0.845	73%	0.727	S	S	*	*			trans	14.2	73.8	152.3	-65.2	-21.2	0	0	0	115	F26	F26-N28 VanDerWaalsContact C-N 3.31Å; F26-N28 PolarHBondContact O-N 3.09Å
29	A	55	Low	59.1	Low	83 Å²	83	128 Å²	128	69%	0.686	71%	0.706	S	S	*	*			trans	-66.2	132.8	153.9	0	0	0	0	0	106.3	C27 E31	C27-A29 PolarHBondContact O-N 3.35Å; A29-E31 PolarHBondContact O-N 3.09Å; A29-E31 VanDerWaalsContact O-N 3.08Å
30	P	57.6	Low	61.6	Low	115 Å²	115	124.7 Å²	124.7	75%	0.747	68%	0.683	S	S	*	*			trans	-53.9	123.7	178.8	22	-31.8	0	0	0	108.4	R32	P30-R32 PolarHBondContact O-N 3.14Å
31	E	59.8	Low	63.7	Low	194 Å²	194	123.8 Å²	123.8	91%	0.907	67%	0.67	S	S	*	*			trans	-55.4	103	179.9	-76.6	-175.1	165.3	0	0	108.9	A29 K33	A29-E31 PolarHBondContact O-N 3.09Å; A29-E31 VanDerWaalsContact O-N 3.08Å; E31-K33 PolarHBondContact O-N 2.94Å; E31-K33 VanDerWaalsContact O-N 3.1Å
32	R	65.1	Low	66	Low	191 Å²	191	123.8 Å²	123.8	72%	0.721	66%	0.661	S	S	*	*			trans	-67.8	110.9	172.9	-72	-175.6	178.3	-174.2	-2	106.8	P30	P30-R32 PolarHBondContact O-N 3.14Å
33	K	79	Confident	68.9	Low	141 Å²	141	120.8 Å²	120.8	61%	0.613	64%	0.64	S	S	*	*			trans	-59.3	128.4	172.7	-63.7	-175.7	-177.1	177	0	108.2	E31 T35 I36	E31-K33 PolarHBondContact O-N 2.94Å; E31-K33 VanDerWaalsContact O-N 3.1Å; K33-T35 PolarHBondContact O-N 2.88Å; K33-I36 HydrophobicContact CB-CB 4.45Å; K33-I36 HydrophobicContact CB-CD1 3.98Å; K33-I36 HydrophobicContact CB-CG1 4.04Å; K33-I36 HydrophobicContact CD-CD1 3.75Å; K33-I36 HydrophobicContact CG-CD1 4.33Å; K33-I36 PolarHBondContact O-N 2.91Å; K33-I36 VanDerWaalsContact O-N 3.09Å
34	P	86.6	Confident	71.6	Confident	136 Å²	136	116 Å²	116	88%	0.883	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-21.4	-170.8	23.7	-34.4	0	0	0	113.7
35	T	92.4	Very high	74.3	Confident	129 Å²	129	114.9 Å²	114.9	79%	0.791	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-14.7	-179.2	51.9	0	0	0	0	114.1	K33	K33-T35 PolarHBondContact O-N 2.88Å
36	I	88.1	Confident	76.8	Confident	109 Å²	109	118 Å²	118	56%	0.559	61%	0.606	S	S	*	*	S	Bend	trans	-98.6	123	-174.1	-58.1	-177.9	0	0	0	109.5	K33 A38	K33-I36 HydrophobicContact CB-CB 4.45Å; K33-I36 HydrophobicContact CB-CD1 3.98Å; K33-I36 HydrophobicContact CB-CG1 4.04Å; K33-I36 HydrophobicContact CD-CD1 3.75Å; K33-I36 HydrophobicContact CG-CD1 4.33Å; K33-I36 PolarHBondContact O-N 2.91Å; K33-I36 VanDerWaalsContact O-N 3.09Å; I36-A38 PolarHBondContact O-N 2.91Å
37	R	89.1	Confident	79.5	Confident	192 Å²	192	110.9 Å²	110.9	73%	0.725	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-67.4	117.7	169.1	179.6	178.6	171.9	171	-4.5	109.3	D71	R37-D71 IonicContact CZ-OD2 3.72Å; R37-D71 IonicContact NH2-OD2 2.87Å; R37-D71 PolarHBondContact NH2-OD2 2.95Å
38	A	85.3	Confident	82	Confident	50 Å²	50	106.7 Å²	106.7	41%	0.413	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-95	123.3	167.9	0	0	0	0	0	109.1	I36	I36-A38 PolarHBondContact O-N 2.91Å
39	P	85.4	Confident	84.1	Confident	48 Å²	48	103.4 Å²	103.4	31%	0.312	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-64.2	149.2	173.2	28.3	-33.8	0	0	0	110.3	P41 Q44 D71	P39-P41 WeakPolarHBondContact O-CD 3.43Å; P39-Q44 VanDerWaalsContact CB-NE2 3.31Å; P39-D71 WeakPolarHBondContact CB-OD1 3.42Å
40	D	90.4	Very high	85.9	Confident	68 Å²	68	101.5 Å²	101.5	36%	0.364	50%	0.504	S	S	.	.			trans	-79.6	114.7	-178	-178.9	2.3	0	0	0	109.8	N42 V43 Q44	D40-N42 PolarHBondContact O-N 3.04Å; D40-N42 VanDerWaalsContact O-N 3.12Å; D40-N42 PolarHBondContact OD1-N 2.83Å; D40-N42 VanDerWaalsContact OD1-N 3.08Å; D40-V43 HydrophobicContact CB-CB 4.13Å; D40-V43 HydrophobicContact CB-CG2 3.86Å; D40-V43 PolarHBondContact O-N 3.43Å; D40-Q44 PolarHBondContact O-N 3.37Å
41	P	90.5	Very high	87.7	Confident	71 Å²	71	96 Å²	96	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-59.9	-27.9	-177.9	25.3	-35.8	0	0	0	112.8	P39 R45	P39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-R45 WeakPolarHBondContact O-CB 3.46Å; P41-R45 PolarHBondContact O-N 3.2Å
42	N	92.4	Very high	89.3	Confident	106 Å²	106	90.2 Å²	90.2	57%	0.567	44%	0.438	S	S	*	.	H	α-helix	trans	-71.8	-34.9	177.6	-66.5	-40.9	0	0	0	112.1	D40 R46	D40-N42 PolarHBondContact O-N 3.04Å; D40-N42 VanDerWaalsContact O-N 3.12Å; D40-N42 PolarHBondContact OD1-N 2.83Å; D40-N42 VanDerWaalsContact OD1-N 3.08Å; N42-R46 VanDerWaalsContact O-CG 3.31Å; N42-R46 WeakPolarHBondContact O-CG 2.98Å; N42-R46 PolarHBondContact O-N 3.25Å; N42-R46 PolarHBondContact O-NE 2.86Å
43	V	91.9	Very high	90.8	Very high	35 Å²	35	84.9 Å²	84.9	21%	0.212	42%	0.418	C	S	.	.	H	α-helix	trans	-68.9	-47.4	174.3	174.6	0	0	0	0	109.4	D40 R45 R46 L47 D71	D40-V43 HydrophobicContact CB-CB 4.13Å; D40-V43 HydrophobicContact CB-CG2 3.86Å; D40-V43 PolarHBondContact O-N 3.43Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.31Å; V43-R46 PolarHBondContact O-N 3.33Å; V43-L47 HydrophobicContact CG1-CD1 3.73Å; V43-L47 HydrophobicContact CG1-CG 4.19Å; V43-L47 WeakPolarHBondContact O-CG 3.43Å; V43-L47 PolarHBondContact O-N 2.84Å; V43-D71 HydrophobicContact CG1-CB 4.35Å
44	Q	91.6	Very high	91.5	Very high	52 Å²	52	78.1 Å²	78.1	24%	0.243	39%	0.389	C	S	.	.	H	α-helix	trans	-54.6	-48	176.8	-67.7	-172.7	-20.2	0	0	112.2	P39 D40 L47 S48 L67 G70	P39-Q44 VanDerWaalsContact CB-NE2 3.31Å; D40-Q44 PolarHBondContact O-N 3.37Å; Q44-L47 PolarHBondContact O-N 3.41Å; Q44-S48 WeakPolarHBondContact O-CB 3.34Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 PolarHBondContact O-OG 3.03Å; Q44-L67 HydrophobicContact CB-CD1 4.39Å; Q44-G70 WeakPolarHBondContact CG-O 3.33Å
45	R	92.4	Very high	91.9	Very high	165 Å²	165	73.2 Å²	73.2	62%	0.623	35%	0.354	S	S	*	.	H	α-helix	trans	-58.7	-51.8	177.8	-176.9	175.7	179	153.5	3.2	111.3	P41 V43 L47 S48 E49	P41-R45 WeakPolarHBondContact O-CB 3.46Å; P41-R45 PolarHBondContact O-N 3.2Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.31Å; R45-L47 PolarHBondContact O-N 3.44Å; R45-S48 PolarHBondContact O-N 3.01Å; R45-S48 PolarHBondContact O-OG 2.92Å; R45-E49 HydrophobicContact CG-CG 4.46Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact CZ-OE1 3.5Å; R45-E49 IonicContact NE-OE1 2.69Å; R45-E49 PolarHBondContact NE-OE1 2.84Å; R45-E49 IonicContact NH2-OE1 3.41Å; R45-E49 WeakPolarHBondContact O-CG 3.24Å; R45-E49 PolarHBondContact O-N 3.32Å
46	R	93.1	Very high	92	Very high	158 Å²	158	74.1 Å²	74.1	60%	0.596	34%	0.343	S	S	*	.	H	α-helix	trans	-58.8	-44.2	179.6	-75.1	-174.9	-67.3	163.9	-2.6	112.4	N42 V43 E49 F50	N42-R46 VanDerWaalsContact O-CG 3.31Å; N42-R46 WeakPolarHBondContact O-CG 2.98Å; N42-R46 PolarHBondContact O-N 3.25Å; N42-R46 PolarHBondContact O-NE 2.86Å; V43-R46 PolarHBondContact O-N 3.33Å; R46-E49 PolarHBondContact O-N 2.94Å; R46-F50 VanDerWaalsContact O-CB 3.31Å; R46-F50 WeakPolarHBondContact O-CB 3.44Å; R46-F50 PolarHBondContact O-N 3.4Å
47	L	93.8	Very high	92.3	Very high	23 Å²	23	71.5 Å²	71.5	12%	0.12	33%	0.334	C	S	.	.	H	α-helix	trans	-67.6	-38.7	178.1	-68.1	175.9	0	0	0	112.1	V43 Q44 R45 F50 G51 L67 D71 L73	V43-L47 HydrophobicContact CG1-CD1 3.73Å; V43-L47 HydrophobicContact CG1-CG 4.19Å; V43-L47 WeakPolarHBondContact O-CG 3.43Å; V43-L47 PolarHBondContact O-N 2.84Å; Q44-L47 PolarHBondContact O-N 3.41Å; R45-L47 PolarHBondContact O-N 3.44Å; L47-F50 PolarHBondContact O-N 2.84Å; L47-G51 PolarHBondContact O-N 3.23Å; L47-L67 HydrophobicContact CB-CD2 3.71Å; L47-L67 HydrophobicContact CD1-CD2 4.28Å; L47-D71 VanDerWaalsContact CD1-C 3.5Å; L47-D71 WeakPolarHBondContact CD1-O 3.46Å; L47-L73 HydrophobicContact CB-CB 4.48Å; L47-L73 HydrophobicContact CD2-CB 4.26Å
48	S	93	Very high	92.5	Very high	17 Å²	17	63.4 Å²	63.4	12%	0.119	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-41.4	175.7	78.6	0	0	0	0	111.9	Q44 R45 G51 R52	Q44-S48 WeakPolarHBondContact O-CB 3.34Å; Q44-S48 PolarHBondContact O-N 3.26Å; Q44-S48 PolarHBondContact O-OG 3.03Å; R45-S48 PolarHBondContact O-N 3.01Å; R45-S48 PolarHBondContact O-OG 2.92Å; S48-G51 PolarHBondContact O-N 3.07Å; S48-R52 WeakPolarHBondContact O-CG 3.42Å; S48-R52 PolarHBondContact O-N 3.36Å; S48-R52 PolarHBondContact OG-NH1 2.92Å; S48-R52 VanDerWaalsContact OG-NH1 3.16Å
49	E	93.3	Very high	93	Very high	89 Å²	89	65 Å²	65	42%	0.416	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-43.1	176	-72.9	172.3	-176.6	0	0	110.9	R45 R46 R52 Y53	R45-E49 HydrophobicContact CG-CG 4.46Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact CZ-OE1 3.5Å; R45-E49 IonicContact NE-OE1 2.69Å; R45-E49 PolarHBondContact NE-OE1 2.84Å; R45-E49 IonicContact NH2-OE1 3.41Å; R45-E49 WeakPolarHBondContact O-CG 3.24Å; R45-E49 PolarHBondContact O-N 3.32Å; R46-E49 PolarHBondContact O-N 2.94Å; E49-R52 PolarHBondContact O-N 3.43Å; E49-Y53 WeakPolarHBondContact O-CB 3.18Å; E49-Y53 PolarHBondContact O-N 3.35Å
50	F	94.1	Very high	93.5	Very high	43 Å²	43	70.4 Å²	70.4	19%	0.189	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-44.4	175	180	-102.6	0	0	0	112.2	R46 L47 R52 Y53 V54 L73 C95 F97	R46-F50 VanDerWaalsContact O-CB 3.31Å; R46-F50 WeakPolarHBondContact O-CB 3.44Å; R46-F50 PolarHBondContact O-N 3.4Å; L47-F50 PolarHBondContact O-N 2.84Å; F50-R52 PolarHBondContact O-N 3.46Å; F50-Y53 WeakPolarHBondContact O-CB 3.46Å; F50-Y53 PolarHBondContact O-N 3.16Å; F50-V54 HydrophobicContact CD1-CG2 4.33Å; F50-V54 HydrophobicContact CE1-CG2 3.8Å; F50-V54 HydrophobicContact CE2-CG2 4.2Å; F50-V54 HydrophobicContact CZ-CG2 3.7Å; F50-V54 WeakPolarHBondContact O-CG2 3.49Å; F50-V54 PolarHBondContact O-N 2.91Å; F50-L73 HydrophobicContact CD1-CD2 3.54Å; F50-L73 HydrophobicContact CE1-CD2 4.05Å; F50-C95 HydrophobicContact CE2-CB 4.38Å; F50-C95 HydrophobicContact CZ-CB 4.12Å; F50-C95 VanDerWaalsContact CZ-SG 3.58Å; F50-F97 AromaticContact CE1-CE2 3.94Å; F50-F97 HydrophobicContact CE1-CE2 3.94Å; F50-F97 HydrophobicContact CE1-CZ 4.23Å; F50-F97 AromaticContact CZ-CE2 3.72Å; F50-F97 HydrophobicContact CZ-CE2 3.72Å; F50-F97 HydrophobicContact CZ-CZ 4.36Å
51	G	94.2	Very high	93.7	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-50.1	174.3	0	0	0	0	0	111.5	L47 S48 Y53 V54 H55 L65	L47-G51 PolarHBondContact O-N 3.23Å; S48-G51 PolarHBondContact O-N 3.07Å; G51-Y53 VanDerWaalsContact C-N 3.26Å; G51-Y53 PolarHBondContact O-N 2.96Å; G51-V54 PolarHBondContact O-N 3.33Å; G51-V54 VanDerWaalsContact O-N 3.16Å; G51-H55 PolarHBondContact O-N 3.17Å; G51-L65 WeakPolarHBondContact O-CD1 3.45Å
52	R	94.4	Very high	94	Very high	71 Å²	71	66.2 Å²	66.2	27%	0.268	30%	0.3	S	S	.	.	H	α-helix	trans	-57.9	-40.3	176	-72	-177.9	-165.9	105.4	-1.9	111.8	S48 E49 F50 H55 R56 V246 N247	S48-R52 WeakPolarHBondContact O-CG 3.42Å; S48-R52 PolarHBondContact O-N 3.36Å; S48-R52 PolarHBondContact OG-NH1 2.92Å; S48-R52 VanDerWaalsContact OG-NH1 3.16Å; E49-R52 PolarHBondContact O-N 3.43Å; F50-R52 PolarHBondContact O-N 3.46Å; R52-H55 PolarHBondContact O-N 2.7Å; R52-R56 WeakPolarHBondContact O-CG 3.4Å; R52-R56 PolarHBondContact O-N 3.19Å; R52-V246 HydrophobicContact CG-CG1 3.76Å; R52-N247 PolarHBondContact NE-O 3.34Å
53	Y	94.8	Very high	94.1	Very high	79 Å²	79	65.3 Å²	65.3	31%	0.31	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-49.5	175.4	176.5	-102.1	0	0	0	111.8	E49 F50 G51 H55 R56 C57 F88 H92 A94	E49-Y53 WeakPolarHBondContact O-CB 3.18Å; E49-Y53 PolarHBondContact O-N 3.35Å; F50-Y53 WeakPolarHBondContact O-CB 3.46Å; F50-Y53 PolarHBondContact O-N 3.16Å; G51-Y53 VanDerWaalsContact C-N 3.26Å; G51-Y53 PolarHBondContact O-N 2.96Å; Y53-H55 VanDerWaalsContact C-N 3.32Å; Y53-H55 PolarHBondContact O-N 3.4Å; Y53-R56 PolarHBondContact O-N 3.44Å; Y53-C57 PolarHBondContact O-N 2.91Å; Y53-C57 PolarHBondContact O-SG 3.1Å; Y53-C57 VanDerWaalsContact O-SG 3.41Å; Y53-F88 HydrophobicContact CE1-CZ 4.46Å; Y53-H92 AromaticContact CE1-CE1 3.77Å; Y53-H92 AromaticContact CZ-CE1 3.77Å; Y53-H92 PolarHBondContact OH-CE1 2.88Å; Y53-H92 PolarHBondContact OH-NE2 2.98Å; Y53-H92 VanDerWaalsContact OH-NE2 3.14Å; Y53-A94 HydrophobicContact CE1-CB 4.2Å
54	V	95	Very high	94.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-41.8	177.2	179	0	0	0	0	111.3	F50 G51 C57 M58 V62 I75 F88 L89	F50-V54 HydrophobicContact CD1-CG2 4.33Å; F50-V54 HydrophobicContact CE1-CG2 3.8Å; F50-V54 HydrophobicContact CE2-CG2 4.2Å; F50-V54 HydrophobicContact CZ-CG2 3.7Å; F50-V54 WeakPolarHBondContact O-CG2 3.49Å; F50-V54 PolarHBondContact O-N 2.91Å; G51-V54 PolarHBondContact O-N 3.33Å; G51-V54 VanDerWaalsContact O-N 3.16Å; V54-C57 PolarHBondContact O-N 2.87Å; V54-M58 HydrophobicContact CG1-CE 4.06Å; V54-M58 PolarHBondContact O-N 2.88Å; V54-V62 HydrophobicContact CG1-CG2 4.37Å; V54-I75 HydrophobicContact CB-CD1 4.46Å; V54-I75 HydrophobicContact CG1-CD1 4.1Å; V54-I75 HydrophobicContact CG2-CD1 4.47Å; V54-F88 HydrophobicContact CG1-CE1 4.27Å; V54-F88 HydrophobicContact CG2-CE1 4.36Å; V54-L89 HydrophobicContact CG2-CD2 4.34Å
55	H	95	Very high	94.3	Very high	32 Å²	32	64.7 Å²	64.7	15%	0.148	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-40.6	176.3	178	71.4	0	0	0	112.8	G51 R52 Y53 C57 M58 P59 V62 L65 L248	G51-H55 PolarHBondContact O-N 3.17Å; R52-H55 PolarHBondContact O-N 2.7Å; Y53-H55 VanDerWaalsContact C-N 3.32Å; Y53-H55 PolarHBondContact O-N 3.4Å; H55-C57 VanDerWaalsContact C-N 3.3Å; H55-C57 PolarHBondContact O-N 2.88Å; H55-M58 CarbonylContact O-C 3.58Å; H55-M58 PolarHBondContact O-N 2.9Å; H55-P59 WeakPolarHBondContact O-CA 3.44Å; H55-P59 WeakPolarHBondContact O-CD 3.47Å; H55-V62 HydrophobicContact CB-CG1 4.17Å; H55-V62 PolarHBondContact ND1-O 3.01Å; H55-L65 HydrophobicContact CB-CD1 3.97Å; H55-L248 HydrophobicContact CB-CD2 4.19Å
56	R	94.3	Very high	94.3	Very high	149 Å²	149	57.5 Å²	57.5	56%	0.562	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-36.5	174.8	-71.4	-179.9	-165.6	156.7	8.1	112.1	R52 Y53 D250	R52-R56 WeakPolarHBondContact O-CG 3.4Å; R52-R56 PolarHBondContact O-N 3.19Å; Y53-R56 PolarHBondContact O-N 3.44Å; R56-D250 IonicContact CZ-OD1 3.61Å; R56-D250 IonicContact CZ-OD2 3.8Å; R56-D250 IonicContact NE-OD1 3.72Å; R56-D250 IonicContact NE-OD2 2.92Å; R56-D250 PolarHBondContact NE-OD2 2.9Å; R56-D250 IonicContact NH2-OD1 2.7Å; R56-D250 PolarHBondContact NH2-OD1 3.44Å; R56-D250 IonicContact NH2-OD2 2.74Å; R56-D250 PolarHBondContact NH2-OD2 3.33Å
57	C	94.5	Very high	94.3	Very high	54 Å²	54	50.1 Å²	50.1	37%	0.365	23%	0.232	S	C	.	.	H	α-helix	trans	-71.8	-38.1	176.8	-69	0	0	0	0	112.6	Y53 V54 H55 F88	Y53-C57 PolarHBondContact O-N 2.91Å; Y53-C57 PolarHBondContact O-SG 3.1Å; Y53-C57 VanDerWaalsContact O-SG 3.41Å; V54-C57 PolarHBondContact O-N 2.87Å; H55-C57 VanDerWaalsContact C-N 3.3Å; H55-C57 PolarHBondContact O-N 2.88Å; C57-F88 HydrophobicContact CB-CE1 4.31Å; C57-F88 HydrophobicContact CB-CE2 3.91Å; C57-F88 HydrophobicContact CB-CZ 3.57Å
58	M	94.2	Very high	94.1	Very high	21 Å²	21	49.1 Å²	49.1	10%	0.103	23%	0.227	C	C	.	.			trans	-133	64.9	-175.6	-64.9	-170.5	-63.1	0	0	113	V54 H55 K60 Y61 V62 V85 F88	V54-M58 HydrophobicContact CG1-CE 4.06Å; V54-M58 PolarHBondContact O-N 2.88Å; H55-M58 CarbonylContact O-C 3.58Å; H55-M58 PolarHBondContact O-N 2.9Å; M58-K60 PolarHBondContact O-N 3.21Å; M58-Y61 PolarHBondContact O-N 3.41Å; M58-V62 HydrophobicContact CB-CG2 4.48Å; M58-V62 WeakPolarHBondContact O-CG2 3.35Å; M58-V62 PolarHBondContact O-N 3.41Å; M58-V85 HydrophobicContact CE-CB 4.02Å; M58-V85 HydrophobicContact CE-CG1 3.95Å; M58-V85 HydrophobicContact CE-CG2 3.8Å; M58-V85 HydrophobicContact SD-CG2 4.11Å; M58-F88 HydrophobicContact CE-CB 3.64Å; M58-F88 HydrophobicContact CE-CD1 3.3Å; M58-F88 HydrophobicContact CE-CD2 4.48Å; M58-F88 HydrophobicContact CE-CE1 4.07Å; M58-F88 HydrophobicContact CE-CG 3.55Å; M58-F88 HydrophobicContact SD-CB 3.59Å; M58-F88 VanDerWaalsContact SD-CB 3.59Å; M58-F88 HydrophobicContact SD-CD1 4.15Å; M58-F88 HydrophobicContact SD-CD2 4.32Å; M58-F88 HydrophobicContact SD-CG 3.76Å
59	P	94.2	Very high	93.6	Very high	84 Å²	84	52.8 Å²	52.8	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.5	-178.2	27.7	-35.4	0	0	0	112.8	H55 Y61	H55-P59 WeakPolarHBondContact O-CA 3.44Å; H55-P59 WeakPolarHBondContact O-CD 3.47Å; P59-Y61 VanDerWaalsContact C-N 3.34Å; P59-Y61 PolarHBondContact O-N 3.19Å
60	K	95.8	Very high	93	Very high	162 Å²	162	49 Å²	49	70%	0.704	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-36.4	179.9	-177.2	179.7	174.7	-169.6	0	112.9	M58	M58-K60 PolarHBondContact O-N 3.21Å
61	Y	96.1	Very high	92.7	Very high	46 Å²	46	48.7 Å²	48.7	18%	0.18	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-32.6	-169.2	-58.7	-64.7	0	0	0	113	M58 P59 Q63 I77 H78 P84 V85	M58-Y61 PolarHBondContact O-N 3.41Å; P59-Y61 VanDerWaalsContact C-N 3.34Å; P59-Y61 PolarHBondContact O-N 3.19Å; Y61-Q63 PolarHBondContact O-N 3.35Å; Y61-I77 CarbonylContact O-C 3.33Å; Y61-I77 VanDerWaalsContact O-CA 3.23Å; Y61-I77 WeakPolarHBondContact O-CA 3.39Å; Y61-H78 PolarHBondContact O-N 3.21Å; Y61-P84 HydrophobicContact CD2-CB 4.3Å; Y61-P84 HydrophobicContact CE2-CB 3.8Å; Y61-P84 HydrophobicContact CE2-CG 4.08Å; Y61-V85 HydrophobicContact CD2-CG2 4.37Å; Y61-V85 HydrophobicContact CG-CG2 4.28Å
62	V	95.4	Very high	92.7	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.5	-177	180	0	0	0	0	110.1	V54 H55 M58 L65 I75 I77	V54-V62 HydrophobicContact CG1-CG2 4.37Å; H55-V62 HydrophobicContact CB-CG1 4.17Å; H55-V62 PolarHBondContact ND1-O 3.01Å; M58-V62 HydrophobicContact CB-CG2 4.48Å; M58-V62 WeakPolarHBondContact O-CG2 3.35Å; M58-V62 PolarHBondContact O-N 3.41Å; V62-L65 HydrophobicContact CG1-CD2 3.85Å; V62-L65 HydrophobicContact CG1-CG 4.11Å; V62-I75 HydrophobicContact CG1-CG2 3.87Å; V62-I75 HydrophobicContact CG2-CG2 3.99Å; V62-I77 HydrophobicContact CG2-CG2 4.28Å
63	Q	94.2	Very high	92.7	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-44	-177.5	-66.4	178.8	-14.2	0	0	112.6	Y61 M76 Y135 L248	Y61-Q63 PolarHBondContact O-N 3.35Å; Q63-M76 PolarHBondContact N-O 3.36Å; Q63-Y135 PolarHBondContact NE2-OH 3.12Å; Q63-L248 WeakPolarHBondContact O-CD1 3.35Å
64	K	93.5	Very high	92.8	Very high	73 Å²	73	46 Å²	46	32%	0.317	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	147.2	-175.7	-179.8	177.9	161.5	170	0	110.5	M76 D245	K64-M76 HydrophobicContact CB-CB 4.3Å; K64-M76 HydrophobicContact CB-CE 3.61Å; K64-M76 HydrophobicContact CB-SD 4.41Å; K64-M76 HydrophobicContact CD-CE 3.38Å; K64-M76 HydrophobicContact CD-SD 4.46Å; K64-M76 HydrophobicContact CG-CE 3.38Å; K64-M76 PolarHBondContact N-O 2.94Å; K64-M76 WeakPolarHBondContact O-CB 3.31Å; K64-M76 PolarHBondContact O-N 3.08Å; K64-D245 WeakPolarHBondContact CE-OD1 3.23Å; K64-D245 WeakPolarHBondContact CE-OD2 3.49Å; K64-D245 IonicContact NZ-OD1 3.76Å; K64-D245 PolarHBondContact NZ-OD1 2.71Å; K64-D245 IonicContact NZ-OD2 3.62Å; K64-D245 PolarHBondContact NZ-OD2 3.29Å
65	L	94.2	Very high	92.8	Very high	2 Å²	2	46 Å²	46	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134	176.5	-65	173.1	0	0	0	109	G51 H55 V62 I75 V246 L248	G51-L65 WeakPolarHBondContact O-CD1 3.45Å; H55-L65 HydrophobicContact CB-CD1 3.97Å; V62-L65 HydrophobicContact CG1-CD2 3.85Å; V62-L65 HydrophobicContact CG1-CG 4.11Å; L65-I75 HydrophobicContact CD2-CB 4.13Å; L65-I75 HydrophobicContact CD2-CG1 3.87Å; L65-I75 HydrophobicContact CD2-CG2 3.85Å; L65-V246 HydrophobicContact CB-CB 3.88Å; L65-V246 HydrophobicContact CB-CG2 4.48Å; L65-V246 HydrophobicContact CD1-CG1 4.45Å; L65-V246 PolarHBondContact O-N 2.99Å; L65-L248 HydrophobicContact CB-CD2 4.33Å; L65-L248 HydrophobicContact CD1-CD2 3.69Å; L65-L248 HydrophobicContact CG-CD2 3.86Å
66	Q	93.7	Very high	92.9	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.1	178.1	68.9	-170.2	6	0	0	111.3	E74 M76 Y243 V244	Q66-E74 HydrophobicContact CG-CB 3.78Å; Q66-E74 HydrophobicContact CG-CG 4.47Å; Q66-E74 PolarHBondContact N-O 2.98Å; Q66-E74 PolarHBondContact NE2-OE2 3.4Å; Q66-E74 PolarHBondContact O-N 3.35Å; Q66-M76 HydrophobicContact CB-CE 4.38Å; Q66-M76 HydrophobicContact CG-CE 3.85Å; Q66-M76 VanDerWaalsContact OE1-CE 3.24Å; Q66-Y243 HydrophobicContact CG-CD2 4.23Å; Q66-V244 WeakPolarHBondContact CA-O 3.43Å
67	L	93.3	Very high	93	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110	173	-61.9	176.1	0	0	0	109.7	Q44 L47 E72 L73 Y243 V244 V246	Q44-L67 HydrophobicContact CB-CD1 4.39Å; L47-L67 HydrophobicContact CB-CD2 3.71Å; L47-L67 HydrophobicContact CD1-CD2 4.28Å; L67-E72 CarbonylContact C-O 3.52Å; L67-E72 WeakPolarHBondContact CA-O 3.43Å; L67-L73 HydrophobicContact CD2-CB 4.17Å; L67-L73 HydrophobicContact CD2-CD1 3.87Å; L67-Y243 WeakPolarHBondContact O-CA 3.44Å; L67-V244 HydrophobicContact CB-CB 4.25Å; L67-V244 PolarHBondContact N-O 3.22Å; L67-V244 PolarHBondContact O-N 3.32Å; L67-V246 HydrophobicContact CD1-CG2 4.43Å; L67-V246 HydrophobicContact CG-CG2 4.11Å
68	A	88.6	Confident	93.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.6	174	0	0	0	0	0	110.6	G70 D71 E72 E74 Y243	A68-G70 PolarHBondContact O-N 2.95Å; A68-D71 PolarHBondContact O-N 2.79Å; A68-E72 HydrophobicContact CB-CB 4.15Å; A68-E72 PolarHBondContact N-O 2.91Å; A68-E72 WeakPolarHBondContact O-CB 3.46Å; A68-E72 PolarHBondContact O-N 3.26Å; A68-E72 VanDerWaalsContact O-N 3.12Å; A68-E74 HydrophobicContact CB-CG 4.18Å; A68-E74 WeakPolarHBondContact CB-OE1 3.29Å; A68-Y243 VanDerWaalsContact CA-CD1 3.48Å; A68-Y243 HydrophobicContact CB-CD1 3.96Å; A68-Y243 HydrophobicContact CB-CE1 3.64Å
69	S	82.4	Confident	93.2	Very high	95 Å²	95	39.6 Å²	39.6	66%	0.664	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	18.3	-178.7	-54.6	0	0	0	0	114.7	D71	S69-D71 VanDerWaalsContact C-N 3.33Å; S69-D71 PolarHBondContact O-N 2.92Å
70	G	80.5	Confident	93.3	Very high	8 Å²	8	40.9 Å²	40.9	8%	0.082	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-44.1	-174.7	0	0	0	0	0	114.9	Q44 A68	Q44-G70 WeakPolarHBondContact CG-O 3.33Å; A68-G70 PolarHBondContact O-N 2.95Å
71	D	89.2	Confident	93.2	Very high	37 Å²	37	33.2 Å²	33.2	20%	0.198	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	2.8	-165.8	-56.2	-26.1	0	0	0	114.4	R37 P39 V43 L47 A68 S69	R37-D71 IonicContact CZ-OD2 3.72Å; R37-D71 IonicContact NH2-OD2 2.87Å; R37-D71 PolarHBondContact NH2-OD2 2.95Å; P39-D71 WeakPolarHBondContact CB-OD1 3.42Å; V43-D71 HydrophobicContact CG1-CB 4.35Å; L47-D71 VanDerWaalsContact CD1-C 3.5Å; L47-D71 WeakPolarHBondContact CD1-O 3.46Å; A68-D71 PolarHBondContact O-N 2.79Å; S69-D71 VanDerWaalsContact C-N 3.33Å; S69-D71 PolarHBondContact O-N 2.92Å
72	E	93.4	Very high	93.2	Very high	93 Å²	93	31 Å²	31	44%	0.435	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.4	-176.5	-61.3	-179.1	-176.6	0	0	111.4	L67 A68 E74 R131	L67-E72 CarbonylContact C-O 3.52Å; L67-E72 WeakPolarHBondContact CA-O 3.43Å; A68-E72 HydrophobicContact CB-CB 4.15Å; A68-E72 PolarHBondContact N-O 2.91Å; A68-E72 WeakPolarHBondContact O-CB 3.46Å; A68-E72 PolarHBondContact O-N 3.26Å; A68-E72 VanDerWaalsContact O-N 3.12Å; E72-E74 PolarHBondContact O-N 3.05Å; E72-R131 IonicContact OE2-CZ 3.31Å; E72-R131 IonicContact OE2-NE 2.75Å; E72-R131 PolarHBondContact OE2-NE 3.45Å; E72-R131 IonicContact OE2-NH2 2.98Å; E72-R131 PolarHBondContact OE2-NH2 3.11Å
73	L	95.2	Very high	93.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.9	177.4	-179.9	66.3	0	0	0	111.4	L47 F50 L67 I75 R131	L47-L73 HydrophobicContact CB-CB 4.48Å; L47-L73 HydrophobicContact CD2-CB 4.26Å; F50-L73 HydrophobicContact CD1-CD2 3.54Å; F50-L73 HydrophobicContact CE1-CD2 4.05Å; L67-L73 HydrophobicContact CD2-CB 4.17Å; L67-L73 HydrophobicContact CD2-CD1 3.87Å; L73-I75 HydrophobicContact CD2-CD1 4.36Å; L73-I75 HydrophobicContact CD2-CG1 4.31Å; L73-I75 HydrophobicContact CG-CG1 4.19Å; L73-R131 PolarHBondContact O-N 3.16Å
74	E	96.1	Very high	93.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126	168.6	-60.7	-173.3	179.9	0	0	110.6	Q66 A68 E72 R131 K133	Q66-E74 HydrophobicContact CG-CB 3.78Å; Q66-E74 HydrophobicContact CG-CG 4.47Å; Q66-E74 PolarHBondContact N-O 2.98Å; Q66-E74 PolarHBondContact NE2-OE2 3.4Å; Q66-E74 PolarHBondContact O-N 3.35Å; A68-E74 HydrophobicContact CB-CG 4.18Å; A68-E74 WeakPolarHBondContact CB-OE1 3.29Å; E72-E74 PolarHBondContact O-N 3.05Å; E74-R131 CarbonylContact C-O 3.6Å; E74-R131 VanDerWaalsContact CA-O 3.28Å; E74-R131 WeakPolarHBondContact CA-O 3.36Å; E74-R131 HydrophobicContact CG-CB 4.24Å; E74-R131 IonicContact OE1-CZ 3Å; E74-R131 IonicContact OE1-NH1 3.25Å; E74-R131 PolarHBondContact OE1-NH1 2.9Å; E74-R131 IonicContact OE1-NH2 3.8Å; E74-R131 PolarHBondContact OE1-NH2 3.3Å; E74-K133 HydrophobicContact CB-CD 4.44Å; E74-K133 VanDerWaalsContact CD-CE 3.48Å; E74-K133 HydrophobicContact CG-CD 4.49Å; E74-K133 IonicContact OE1-NZ 2.64Å; E74-K133 PolarHBondContact OE1-NZ 2.82Å; E74-K133 VanDerWaalsContact OE2-CD 3.25Å; E74-K133 WeakPolarHBondContact OE2-CD 3.21Å; E74-K133 WeakPolarHBondContact OE2-CE 3.4Å; E74-K133 IonicContact OE2-NZ 3.47Å; E74-K133 PolarHBondContact OE2-NZ 3.07Å
75	I	96	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	110.9	175.6	-51.1	-177.7	0	0	0	107.9	V54 V62 L65 L73 I77 L89 C130 R131 V132 K133	V54-I75 HydrophobicContact CB-CD1 4.46Å; V54-I75 HydrophobicContact CG1-CD1 4.1Å; V54-I75 HydrophobicContact CG2-CD1 4.47Å; V62-I75 HydrophobicContact CG1-CG2 3.87Å; V62-I75 HydrophobicContact CG2-CG2 3.99Å; L65-I75 HydrophobicContact CD2-CB 4.13Å; L65-I75 HydrophobicContact CD2-CG1 3.87Å; L65-I75 HydrophobicContact CD2-CG2 3.85Å; L73-I75 HydrophobicContact CD2-CD1 4.36Å; L73-I75 HydrophobicContact CD2-CG1 4.31Å; L73-I75 HydrophobicContact CG-CG1 4.19Å; I75-I77 HydrophobicContact CG2-CG2 3.75Å; I75-L89 HydrophobicContact CD1-CD2 4.5Å; I75-C130 VanDerWaalsContact CD1-SG 3.52Å; I75-R131 PolarHBondContact N-O 3.42Å; I75-V132 CarbonylContact O-C 3.59Å; I75-V132 WeakPolarHBondContact O-CA 3.19Å; I75-K133 PolarHBondContact O-N 2.84Å
76	M	95.7	Very high	93.7	Very high	40 Å²	40	27.1 Å²	27.1	20%	0.197	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.7	174.2	-73.5	177.5	-88.8	0	0	109.9	Q63 K64 Q66 K133	Q63-M76 PolarHBondContact N-O 3.36Å; K64-M76 HydrophobicContact CB-CB 4.3Å; K64-M76 HydrophobicContact CB-CE 3.61Å; K64-M76 HydrophobicContact CB-SD 4.41Å; K64-M76 HydrophobicContact CD-CE 3.38Å; K64-M76 HydrophobicContact CD-SD 4.46Å; K64-M76 HydrophobicContact CG-CE 3.38Å; K64-M76 PolarHBondContact N-O 2.94Å; K64-M76 WeakPolarHBondContact O-CB 3.31Å; K64-M76 PolarHBondContact O-N 3.08Å; Q66-M76 HydrophobicContact CB-CE 4.38Å; Q66-M76 HydrophobicContact CG-CE 3.85Å; Q66-M76 VanDerWaalsContact OE1-CE 3.24Å; M76-K133 HydrophobicContact CG-CB 4.23Å
77	I	97.1	Very high	93.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.8	-176.2	67.4	167.4	0	0	0	111.4	Y61 V62 I75 V82 V85 V132 K133 T134	Y61-I77 CarbonylContact O-C 3.33Å; Y61-I77 VanDerWaalsContact O-CA 3.23Å; Y61-I77 WeakPolarHBondContact O-CA 3.39Å; V62-I77 HydrophobicContact CG2-CG2 4.28Å; I75-I77 HydrophobicContact CG2-CG2 3.75Å; I77-V82 HydrophobicContact CD1-CG2 4.14Å; I77-V85 HydrophobicContact CD1-CB 4.13Å; I77-V85 HydrophobicContact CD1-CG1 4.33Å; I77-V85 HydrophobicContact CD1-CG2 4.27Å; I77-V85 HydrophobicContact CG2-CG1 4.2Å; I77-V85 HydrophobicContact CG2-CG2 4.16Å; I77-V132 HydrophobicContact CD1-CG1 3.47Å; I77-V132 VanDerWaalsContact CD1-CG1 3.47Å; I77-V132 HydrophobicContact CG1-CG1 3.78Å; I77-V132 HydrophobicContact CG2-CG1 4.13Å; I77-K133 WeakPolarHBondContact CG1-O 3.31Å; I77-K133 PolarHBondContact N-O 2.86Å; I77-T134 HydrophobicContact CD1-CG2 3.45Å; I77-T134 VanDerWaalsContact CD1-CG2 3.45Å; I77-T134 HydrophobicContact CG1-CG2 3.21Å
78	H	96.8	Very high	94	Very high	62 Å²	62	32.2 Å²	32.2	29%	0.287	17%	0.174	S	C	.	.			trans	-69.4	143.4	167.9	-167.1	-85.8	0	0	0	110.7	Y61 D80 G81 Y135	Y61-H78 PolarHBondContact O-N 3.21Å; H78-D80 VanDerWaalsContact C-N 3.34Å; H78-D80 IonicContact CE1-OD1 2.84Å; H78-D80 PolarHBondContact CE1-OD1 2.98Å; H78-D80 VanDerWaalsContact CE1-OD1 3.3Å; H78-D80 IonicContact CE1-OD2 3.71Å; H78-D80 PolarHBondContact CE1-OD2 2.76Å; H78-D80 VanDerWaalsContact CE1-OD2 3.27Å; H78-D80 VanDerWaalsContact ND1-CG 3.3Å; H78-D80 PolarHBondContact ND1-N 2.89Å; H78-D80 IonicContact ND1-OD1 2.76Å; H78-D80 PolarHBondContact ND1-OD1 2.75Å; H78-D80 IonicContact ND1-OD2 3.89Å; H78-D80 PolarHBondContact O-N 3.2Å; H78-G81 WeakPolarHBondContact O-CA 3.37Å; H78-G81 PolarHBondContact O-N 3.14Å; H78-Y135 PolarHBondContact CD2-OH 2.91Å; H78-Y135 VanDerWaalsContact CD2-OH 3.25Å
79	P	95.7	Very high	94.4	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.123	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-55	-41	179.8	19	-32.8	0	0	0	114.1	G81 V82 Y135 I142	P79-G81 PolarHBondContact O-N 3.28Å; P79-V82 WeakPolarHBondContact O-CG2 3.33Å; P79-V82 PolarHBondContact O-N 2.78Å; P79-V82 VanDerWaalsContact O-N 3.17Å; P79-Y135 HydrophobicContact CG-CE2 4.12Å; P79-I142 HydrophobicContact CB-CD1 4.4Å; P79-I142 HydrophobicContact CB-CG1 4.25Å
80	D	95.5	Very high	95	Very high	111 Å²	111	31 Å²	31	59%	0.594	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-60.9	-14.2	175.5	-51	1.6	0	0	0	114.3	H78	H78-D80 VanDerWaalsContact C-N 3.34Å; H78-D80 IonicContact CE1-OD1 2.84Å; H78-D80 PolarHBondContact CE1-OD1 2.98Å; H78-D80 VanDerWaalsContact CE1-OD1 3.3Å; H78-D80 IonicContact CE1-OD2 3.71Å; H78-D80 PolarHBondContact CE1-OD2 2.76Å; H78-D80 VanDerWaalsContact CE1-OD2 3.27Å; H78-D80 VanDerWaalsContact ND1-CG 3.3Å; H78-D80 PolarHBondContact ND1-N 2.89Å; H78-D80 IonicContact ND1-OD1 2.76Å; H78-D80 PolarHBondContact ND1-OD1 2.75Å; H78-D80 IonicContact ND1-OD2 3.89Å; H78-D80 PolarHBondContact O-N 3.2Å
81	G	94.8	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-95.7	3.3	-178.5	0	0	0	0	0	114.9	H78 P79 P84 V85	H78-G81 WeakPolarHBondContact O-CA 3.37Å; H78-G81 PolarHBondContact O-N 3.14Å; P79-G81 PolarHBondContact O-N 3.28Å; G81-P84 WeakPolarHBondContact O-CD 3.43Å; G81-V85 VanDerWaalsContact O-CB 3.27Å; G81-V85 WeakPolarHBondContact O-CB 3.33Å; G81-V85 WeakPolarHBondContact O-CG2 3.37Å; G81-V85 PolarHBondContact O-N 3.39Å
82	V	96.5	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-56.8	-173.8	169.3	0	0	0	0	111.4	I77 P79 M86 T134 I142 I145	I77-V82 HydrophobicContact CD1-CG2 4.14Å; P79-V82 WeakPolarHBondContact O-CG2 3.33Å; P79-V82 PolarHBondContact O-N 2.78Å; P79-V82 VanDerWaalsContact O-N 3.17Å; V82-M86 HydrophobicContact CG1-CG 4.47Å; V82-M86 VanDerWaalsContact O-CB 3.28Å; V82-M86 WeakPolarHBondContact O-CB 3.41Å; V82-M86 WeakPolarHBondContact O-CG 3.34Å; V82-M86 PolarHBondContact O-N 3.47Å; V82-T134 HydrophobicContact CG2-CG2 3.44Å; V82-T134 VanDerWaalsContact CG2-CG2 3.44Å; V82-I142 HydrophobicContact CG2-CG2 4.24Å; V82-I145 HydrophobicContact CG1-CG2 3.29Å
83	I	96.8	Very high	96.2	Very high	43 Å²	43	37.6 Å²	37.6	22%	0.221	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-52.3	-177.8	-63.6	171.3	0	0	0	111.8	V85 M86 Q87 D143 V148	I83-V85 VanDerWaalsContact C-N 3.34Å; I83-V85 PolarHBondContact O-N 3.02Å; I83-M86 PolarHBondContact O-N 2.96Å; I83-Q87 HydrophobicContact CG2-CG 4.25Å; I83-Q87 WeakPolarHBondContact O-CB 3.46Å; I83-Q87 WeakPolarHBondContact O-CG 3.13Å; I83-Q87 PolarHBondContact O-N 3.33Å; I83-D143 HydrophobicContact CD1-CB 3.64Å; I83-D143 HydrophobicContact CG1-CB 3.93Å; I83-V148 HydrophobicContact CG2-CG2 4.28Å
84	P	96.9	Very high	96.1	Very high	41 Å²	41	39 Å²	39	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-41.2	-178.1	-25.7	35.1	0	0	0	113.4	Y61 G81 F88	Y61-P84 HydrophobicContact CD2-CB 4.3Å; Y61-P84 HydrophobicContact CE2-CB 3.8Å; Y61-P84 HydrophobicContact CE2-CG 4.08Å; G81-P84 WeakPolarHBondContact O-CD 3.43Å; P84-F88 WeakPolarHBondContact O-CB 3.32Å; P84-F88 PolarHBondContact O-N 2.99Å
85	V	97	Very high	95.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-42.9	179.9	173.6	0	0	0	0	110.7	M58 Y61 I77 G81 I83 F88 L89 V132	M58-V85 HydrophobicContact CE-CB 4.02Å; M58-V85 HydrophobicContact CE-CG1 3.95Å; M58-V85 HydrophobicContact CE-CG2 3.8Å; M58-V85 HydrophobicContact SD-CG2 4.11Å; Y61-V85 HydrophobicContact CD2-CG2 4.37Å; Y61-V85 HydrophobicContact CG-CG2 4.28Å; I77-V85 HydrophobicContact CD1-CB 4.13Å; I77-V85 HydrophobicContact CD1-CG1 4.33Å; I77-V85 HydrophobicContact CD1-CG2 4.27Å; I77-V85 HydrophobicContact CG2-CG1 4.2Å; I77-V85 HydrophobicContact CG2-CG2 4.16Å; G81-V85 VanDerWaalsContact O-CB 3.27Å; G81-V85 WeakPolarHBondContact O-CB 3.33Å; G81-V85 WeakPolarHBondContact O-CG2 3.37Å; G81-V85 PolarHBondContact O-N 3.39Å; I83-V85 VanDerWaalsContact C-N 3.34Å; I83-V85 PolarHBondContact O-N 3.02Å; V85-F88 PolarHBondContact O-N 3.24Å; V85-L89 HydrophobicContact CG1-CD1 3.91Å; V85-L89 HydrophobicContact CG1-CG 4.33Å; V85-L89 WeakPolarHBondContact O-CB 3.31Å; V85-L89 VanDerWaalsContact O-CG 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.23Å; V85-L89 PolarHBondContact O-N 3.39Å; V85-V132 HydrophobicContact CG1-CG1 4.48Å
86	M	96.8	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-40.6	-179.4	-67.5	-67.8	-90.8	0	0	111.8	V82 I83 L89 K90 F100 Y119 L121 V132 I145 V148 F149	V82-M86 HydrophobicContact CG1-CG 4.47Å; V82-M86 VanDerWaalsContact O-CB 3.28Å; V82-M86 WeakPolarHBondContact O-CB 3.41Å; V82-M86 WeakPolarHBondContact O-CG 3.34Å; V82-M86 PolarHBondContact O-N 3.47Å; I83-M86 PolarHBondContact O-N 2.96Å; M86-L89 PolarHBondContact O-N 3.16Å; M86-K90 WeakPolarHBondContact O-CB 3.43Å; M86-K90 PolarHBondContact O-N 3.47Å; M86-F100 HydrophobicContact CE-CD2 4.49Å; M86-F100 HydrophobicContact CE-CE2 4.3Å; M86-Y119 HydrophobicContact CE-CD1 3.78Å; M86-Y119 HydrophobicContact CE-CE1 4.48Å; M86-Y119 HydrophobicContact CE-CG 3.85Å; M86-L121 HydrophobicContact CE-CD1 4.39Å; M86-L121 HydrophobicContact CE-CD2 4.13Å; M86-L121 HydrophobicContact SD-CD1 3.91Å; M86-V132 HydrophobicContact SD-CG2 4.37Å; M86-I145 HydrophobicContact CB-CG2 4.4Å; M86-I145 HydrophobicContact CE-CD1 3.61Å; M86-I145 HydrophobicContact CE-CG2 4.37Å; M86-I145 HydrophobicContact CG-CG2 4.02Å; M86-V148 HydrophobicContact CB-CG1 4.35Å; M86-F149 HydrophobicContact CB-CE2 4.35Å; M86-F149 HydrophobicContact CE-CD2 4.06Å; M86-F149 HydrophobicContact CE-CE2 3.87Å
87	Q	96.5	Very high	95.9	Very high	87 Å²	87	40.3 Å²	40.3	41%	0.407	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-47.1	171.9	-76.3	179.2	-26.9	0	0	111.6	I83 L89 K90 D91 V148	I83-Q87 HydrophobicContact CG2-CG 4.25Å; I83-Q87 WeakPolarHBondContact O-CB 3.46Å; I83-Q87 WeakPolarHBondContact O-CG 3.13Å; I83-Q87 PolarHBondContact O-N 3.33Å; Q87-L89 PolarHBondContact O-N 2.99Å; Q87-K90 PolarHBondContact O-N 2.82Å; Q87-D91 WeakPolarHBondContact O-CB 3.49Å; Q87-D91 PolarHBondContact O-N 3.43Å; Q87-V148 HydrophobicContact CG-CB 4.43Å; Q87-V148 HydrophobicContact CG-CG1 4.1Å; Q87-V148 HydrophobicContact CG-CG2 3.5Å
88	F	96.9	Very high	95.8	Very high	38 Å²	38	43.9 Å²	43.9	17%	0.167	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-47	177.7	176.1	-93.5	0	0	0	111.9	Y53 V54 C57 M58 P84 V85 K90 H92	Y53-F88 HydrophobicContact CE1-CZ 4.46Å; V54-F88 HydrophobicContact CG1-CE1 4.27Å; V54-F88 HydrophobicContact CG2-CE1 4.36Å; C57-F88 HydrophobicContact CB-CE1 4.31Å; C57-F88 HydrophobicContact CB-CE2 3.91Å; C57-F88 HydrophobicContact CB-CZ 3.57Å; M58-F88 HydrophobicContact CE-CB 3.64Å; M58-F88 HydrophobicContact CE-CD1 3.3Å; M58-F88 HydrophobicContact CE-CD2 4.48Å; M58-F88 HydrophobicContact CE-CE1 4.07Å; M58-F88 HydrophobicContact CE-CG 3.55Å; M58-F88 HydrophobicContact SD-CB 3.59Å; M58-F88 VanDerWaalsContact SD-CB 3.59Å; M58-F88 HydrophobicContact SD-CD1 4.15Å; M58-F88 HydrophobicContact SD-CD2 4.32Å; M58-F88 HydrophobicContact SD-CG 3.76Å; P84-F88 WeakPolarHBondContact O-CB 3.32Å; P84-F88 PolarHBondContact O-N 2.99Å; V85-F88 PolarHBondContact O-N 3.24Å; F88-K90 VanDerWaalsContact C-N 3.27Å; F88-K90 PolarHBondContact O-N 3.16Å; F88-H92 HydrophobicContact CD2-CB 4.08Å; F88-H92 HydrophobicContact CE1-CB 4.39Å; F88-H92 HydrophobicContact CE2-CB 3.93Å; F88-H92 AromaticContact CE2-CD2 3.4Å; F88-H92 WeakPolarHBondContact CE2-CD2 3.49Å; F88-H92 AromaticContact CE2-CG 3.68Å; F88-H92 HydrophobicContact CG-CB 4.39Å; F88-H92 HydrophobicContact CZ-CB 4.08Å; F88-H92 AromaticContact CZ-CD2 3.78Å; F88-H92 AromaticContact CZ-CG 3.73Å; F88-H92 WeakPolarHBondContact O-CB 3.28Å; F88-H92 PolarHBondContact O-N 3.05Å
89	L	96.4	Very high	95.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-35.3	179.9	-71.6	174.1	0	0	0	112.3	V54 I75 V85 M86 Q87 C95 Q96 F97 L121 V132	V54-L89 HydrophobicContact CG2-CD2 4.34Å; I75-L89 HydrophobicContact CD1-CD2 4.5Å; V85-L89 HydrophobicContact CG1-CD1 3.91Å; V85-L89 HydrophobicContact CG1-CG 4.33Å; V85-L89 WeakPolarHBondContact O-CB 3.31Å; V85-L89 VanDerWaalsContact O-CG 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.23Å; V85-L89 PolarHBondContact O-N 3.39Å; M86-L89 PolarHBondContact O-N 3.16Å; Q87-L89 PolarHBondContact O-N 2.99Å; L89-C95 HydrophobicContact CD2-CB 4.41Å; L89-C95 VanDerWaalsContact O-CB 3.29Å; L89-C95 WeakPolarHBondContact O-CB 3.34Å; L89-Q96 PolarHBondContact O-N 2.83Å; L89-F97 HydrophobicContact CB-CB 4.41Å; L89-F97 HydrophobicContact CB-CD2 4Å; L89-F97 HydrophobicContact CD2-CD2 4Å; L89-F97 HydrophobicContact CD2-CE2 4.1Å; L89-F97 WeakPolarHBondContact O-CB 3.44Å; L89-F97 PolarHBondContact O-N 3.23Å; L89-L121 HydrophobicContact CB-CD1 4.13Å; L89-L121 HydrophobicContact CD1-CD1 3.76Å; L89-V132 HydrophobicContact CD1-CG2 3.47Å; L89-V132 VanDerWaalsContact CD1-CG2 3.47Å
90	K	96.3	Very high	95.7	Very high	71 Å²	71	44.3 Å²	44.3	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-72.3	-51.4	177.4	-174.5	-175.5	169.9	-166.2	0	112.5	M86 Q87 F88 V148 F149	M86-K90 WeakPolarHBondContact O-CB 3.43Å; M86-K90 PolarHBondContact O-N 3.47Å; Q87-K90 PolarHBondContact O-N 2.82Å; F88-K90 VanDerWaalsContact C-N 3.27Å; F88-K90 PolarHBondContact O-N 3.16Å; K90-V148 HydrophobicContact CB-CG1 4.33Å; K90-V148 HydrophobicContact CD-CG1 3.7Å; K90-V148 PolarHBondContact NZ-O 2.76Å; K90-F149 HydrophobicContact CB-CE1 4.36Å; K90-F149 HydrophobicContact CB-CZ 3.85Å; K90-F149 HydrophobicContact CD-CD1 4.4Å; K90-F149 HydrophobicContact CD-CE1 3.92Å; K90-F149 HydrophobicContact CD-CZ 4.09Å; K90-F149 HydrophobicContact CG-CE1 4.04Å; K90-F149 HydrophobicContact CG-CZ 4.05Å
91	D	96.1	Very high	95.8	Very high	114 Å²	114	41.7 Å²	41.7	61%	0.61	22%	0.215	S	C	*	.	H	α-helix	trans	-92.7	-24.8	-165.3	-62.6	-25.3	0	0	0	113.4	Q87 H93	Q87-D91 WeakPolarHBondContact O-CB 3.49Å; Q87-D91 PolarHBondContact O-N 3.43Å; D91-H93 PolarHBondContact O-N 2.93Å
92	H	96.2	Very high	95.8	Very high	36 Å²	36	45.2 Å²	45.2	17%	0.167	23%	0.23	C	C	.	.			trans	-66.8	129.2	-176.4	-172.1	-86.6	0	0	0	111.4	Y53 F88 A94 C95 Q96	Y53-H92 AromaticContact CE1-CE1 3.77Å; Y53-H92 AromaticContact CZ-CE1 3.77Å; Y53-H92 PolarHBondContact OH-CE1 2.88Å; Y53-H92 PolarHBondContact OH-NE2 2.98Å; Y53-H92 VanDerWaalsContact OH-NE2 3.14Å; F88-H92 HydrophobicContact CD2-CB 4.08Å; F88-H92 HydrophobicContact CE1-CB 4.39Å; F88-H92 HydrophobicContact CE2-CB 3.93Å; F88-H92 AromaticContact CE2-CD2 3.4Å; F88-H92 WeakPolarHBondContact CE2-CD2 3.49Å; F88-H92 AromaticContact CE2-CG 3.68Å; F88-H92 HydrophobicContact CG-CB 4.39Å; F88-H92 HydrophobicContact CZ-CB 4.08Å; F88-H92 AromaticContact CZ-CD2 3.78Å; F88-H92 AromaticContact CZ-CG 3.73Å; F88-H92 WeakPolarHBondContact O-CB 3.28Å; F88-H92 PolarHBondContact O-N 3.05Å; H92-A94 VanDerWaalsContact CE1-CB 3.46Å; H92-A94 WeakPolarHBondContact CE1-CB 3.5Å; H92-A94 WeakPolarHBondContact ND1-CB 3.06Å; H92-A94 PolarHBondContact ND1-N 3.07Å; H92-A94 PolarHBondContact O-N 3.12Å; H92-A94 VanDerWaalsContact O-N 3.09Å; H92-C95 HydrophobicContact CB-CB 4.19Å; H92-C95 PolarHBondContact O-N 2.89Å; H92-Q96 PolarHBondContact O-N 2.9Å
93	H	94.7	Very high	95.8	Very high	126 Å²	126	45.2 Å²	45.2	58%	0.583	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.3	-175.1	69.8	-78.8	0	0	0	114.2	D91 Q96 Y126	D91-H93 PolarHBondContact O-N 2.93Å; H93-Q96 WeakPolarHBondContact O-CG 3.34Å; H93-Q96 PolarHBondContact O-NE2 3.08Å; H93-Y126 PolarHBondContact O-OH 3.29Å
94	A	92.9	Very high	95.7	Very high	30 Å²	30	46 Å²	46	25%	0.248	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.4	177.8	0	0	0	0	0	114.4	Y53 H92 Y126	Y53-A94 HydrophobicContact CE1-CB 4.2Å; H92-A94 VanDerWaalsContact CE1-CB 3.46Å; H92-A94 WeakPolarHBondContact CE1-CB 3.5Å; H92-A94 WeakPolarHBondContact ND1-CB 3.06Å; H92-A94 PolarHBondContact ND1-N 3.07Å; H92-A94 PolarHBondContact O-N 3.12Å; H92-A94 VanDerWaalsContact O-N 3.09Å; A94-Y126 WeakPolarHBondContact O-CE2 3.5Å
95	C	93	Very high	95.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-51	-175.8	-57	0	0	0	0	111.1	F50 L89 H92 F97 S123	F50-C95 HydrophobicContact CE2-CB 4.38Å; F50-C95 HydrophobicContact CZ-CB 4.12Å; F50-C95 VanDerWaalsContact CZ-SG 3.58Å; L89-C95 HydrophobicContact CD2-CB 4.41Å; L89-C95 VanDerWaalsContact O-CB 3.29Å; L89-C95 WeakPolarHBondContact O-CB 3.34Å; H92-C95 HydrophobicContact CB-CB 4.19Å; H92-C95 PolarHBondContact O-N 2.89Å; C95-F97 HydrophobicContact CB-CD2 3.92Å; C95-F97 HydrophobicContact CB-CE2 4.14Å; C95-F97 WeakPolarHBondContact O-CD2 3.15Å; C95-F97 PolarHBondContact O-N 2.82Å; C95-S123 WeakPolarHBondContact O-CB 3.34Å; C95-S123 PolarHBondContact O-OG 2.91Å
96	Q	94.7	Very high	95.7	Very high	60 Å²	60	47.3 Å²	47.3	28%	0.28	25%	0.245	S	C	.	.			trans	37.5	48.7	177	-65.4	-176.4	-9.1	0	0	114	L89 H92 H93 T98 S123 V125 Y126	L89-Q96 PolarHBondContact O-N 2.83Å; H92-Q96 PolarHBondContact O-N 2.9Å; H93-Q96 WeakPolarHBondContact O-CG 3.34Å; H93-Q96 PolarHBondContact O-NE2 3.08Å; Q96-T98 PolarHBondContact O-N 3.17Å; Q96-S123 WeakPolarHBondContact O-CA 3.46Å; Q96-S123 VanDerWaalsContact O-CB 3.24Å; Q96-S123 WeakPolarHBondContact O-CB 3.26Å; Q96-S123 PolarHBondContact O-OG 2.9Å; Q96-V125 VanDerWaalsContact OE1-CG2 3.24Å; Q96-Y126 HydrophobicContact CB-CD2 4.5Å; Q96-Y126 HydrophobicContact CB-CE2 4.18Å; Q96-Y126 HydrophobicContact CG-CE2 4.4Å
97	F	96.2	Very high	95.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	25%	0.246	C	C	.	.			trans	-79.2	72.2	173.4	-73.5	-79	0	0	0	109.6	F50 L89 C95 N99 L121 S123 A128 C130 F149	F50-F97 AromaticContact CE1-CE2 3.94Å; F50-F97 HydrophobicContact CE1-CE2 3.94Å; F50-F97 HydrophobicContact CE1-CZ 4.23Å; F50-F97 AromaticContact CZ-CE2 3.72Å; F50-F97 HydrophobicContact CZ-CE2 3.72Å; F50-F97 HydrophobicContact CZ-CZ 4.36Å; L89-F97 HydrophobicContact CB-CB 4.41Å; L89-F97 HydrophobicContact CB-CD2 4Å; L89-F97 HydrophobicContact CD2-CD2 4Å; L89-F97 HydrophobicContact CD2-CE2 4.1Å; L89-F97 WeakPolarHBondContact O-CB 3.44Å; L89-F97 PolarHBondContact O-N 3.23Å; C95-F97 HydrophobicContact CB-CD2 3.92Å; C95-F97 HydrophobicContact CB-CE2 4.14Å; C95-F97 WeakPolarHBondContact O-CD2 3.15Å; C95-F97 PolarHBondContact O-N 2.82Å; F97-N99 VanDerWaalsContact C-N 3.35Å; F97-L121 HydrophobicContact CB-CB 4.04Å; F97-L121 HydrophobicContact CB-CD1 4.18Å; F97-L121 HydrophobicContact CD1-CB 3.7Å; F97-L121 HydrophobicContact CE1-CB 4.48Å; F97-L121 HydrophobicContact CG-CB 4.04Å; F97-L121 HydrophobicContact CG-CD1 4.43Å; F97-S123 VanDerWaalsContact CD1-N 3.3Å; F97-A128 WeakPolarHBondContact CE1-O 3.43Å; F97-C130 HydrophobicContact CD1-CB 4.45Å; F97-C130 HydrophobicContact CE1-CB 3.64Å; F97-C130 HydrophobicContact CE2-CB 4.17Å; F97-C130 HydrophobicContact CZ-CB 3.49Å; F97-C130 VanDerWaalsContact CZ-CB 3.49Å; F97-F149 WeakPolarHBondContact O-CE1 3.32Å; F97-F149 WeakPolarHBondContact O-CZ 3.46Å
98	T	94.7	Very high	95.6	Very high	75 Å²	75	45 Å²	45	46%	0.46	24%	0.236	S	C	.	.			trans	-73.7	-27.4	-175	57.9	0	0	0	0	112.9	Q96	Q96-T98 PolarHBondContact O-N 3.17Å
99	N	95.5	Very high	95.5	Very high	69 Å²	69	47 Å²	47	37%	0.369	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.5	-174.5	-166.6	5.5	0	0	0	111.3	F97 L122 L124	F97-N99 VanDerWaalsContact C-N 3.35Å; N99-L122 HydrophobicContact CB-CB 4.2Å; N99-L122 PolarHBondContact N-O 2.99Å; N99-L122 VanDerWaalsContact N-O 3.1Å; N99-L122 PolarHBondContact O-N 2.94Å; N99-L124 HydrophobicContact CB-CG 4.49Å
100	F	95.8	Very high	95.3	Very high	21 Å²	21	52.9 Å²	52.9	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.2	173	-179.9	-100.2	0	0	0	108.9	M86 M103 Y119 L121 I145 F149 A152 Y155	M86-F100 HydrophobicContact CE-CD2 4.49Å; M86-F100 HydrophobicContact CE-CE2 4.3Å; F100-M103 HydrophobicContact CE2-CB 4.41Å; F100-M103 HydrophobicContact CZ-CB 3.64Å; F100-Y119 HydrophobicContact CE2-CD1 4.09Å; F100-L121 HydrophobicContact CD2-CD2 3.81Å; F100-I145 HydrophobicContact CD2-CD1 4.19Å; F100-I145 HydrophobicContact CE2-CD1 3.47Å; F100-I145 VanDerWaalsContact CE2-CD1 3.47Å; F100-I145 HydrophobicContact CZ-CD1 3.86Å; F100-F149 HydrophobicContact CB-CB 4.07Å; F100-F149 HydrophobicContact CB-CD1 3.68Å; F100-F149 HydrophobicContact CB-CE1 4.22Å; F100-F149 HydrophobicContact CB-CG 3.87Å; F100-F149 HydrophobicContact CD2-CB 4.37Å; F100-F149 HydrophobicContact CD2-CD2 4.15Å; F100-F149 HydrophobicContact CD2-CG 4.17Å; F100-F149 HydrophobicContact CG-CB 4.2Å; F100-F149 HydrophobicContact CG-CG 4.24Å; F100-A152 HydrophobicContact CD1-CB 4.43Å; F100-A152 HydrophobicContact CE1-CB 3.91Å; F100-A152 HydrophobicContact CE2-CB 4.49Å; F100-A152 HydrophobicContact CZ-CB 3.91Å; F100-Y155 HydrophobicContact CD1-CD2 4.38Å; F100-Y155 HydrophobicContact CD1-CE2 4.48Å; F100-Y155 AromaticContact CE1-CD2 3.6Å; F100-Y155 HydrophobicContact CE1-CD2 3.6Å; F100-Y155 HydrophobicContact CE1-CE2 4.05Å; F100-Y155 HydrophobicContact CE1-CG 4.24Å
101	I	96.2	Very high	95.1	Very high	56 Å²	56	53.8 Å²	53.8	29%	0.287	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-59	-174.9	-55	171.8	0	0	0	110.3	A120 L122 Y155	I101-A120 HydrophobicContact CB-CB 4.22Å; I101-A120 PolarHBondContact N-O 2.99Å; I101-L122 HydrophobicContact CD1-CB 3.63Å; I101-L122 HydrophobicContact CG1-CB 3.81Å; I101-Y155 PolarHBondContact O-OH 3.48Å
102	F	96	Very high	95	Very high	74 Å²	74	54.5 Å²	54.5	33%	0.325	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160	-179.2	69.1	-101.7	0	0	0	110.7	T104 A120 Y155	F102-T104 HydrophobicContact CD2-CG2 3.74Å; F102-T104 HydrophobicContact CE2-CG2 4Å; F102-A120 HydrophobicContact CD1-CB 3.59Å; F102-A120 HydrophobicContact CD2-CB 4.04Å; F102-A120 HydrophobicContact CE1-CB 3.39Å; F102-A120 HydrophobicContact CE2-CB 3.87Å; F102-A120 HydrophobicContact CG-CB 3.92Å; F102-A120 HydrophobicContact CZ-CB 3.55Å; F102-A120 PolarHBondContact O-N 3.39Å; F102-Y155 HydrophobicContact CB-CD1 4.46Å; F102-Y155 HydrophobicContact CB-CE1 3.88Å
103	M	95.7	Very high	94.9	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141	160.2	171.9	-170.5	73.1	0	0	109.4	F100 I117 V118 Y119 Y155 E156 V159 F167	F100-M103 HydrophobicContact CE2-CB 4.41Å; F100-M103 HydrophobicContact CZ-CB 3.64Å; M103-I117 HydrophobicContact CG-CG2 3.69Å; M103-I117 HydrophobicContact SD-CG2 3.79Å; M103-V118 CarbonylContact C-O 3.58Å; M103-V118 VanDerWaalsContact CA-O 3.26Å; M103-V118 WeakPolarHBondContact CA-O 3.23Å; M103-Y119 HydrophobicContact CB-CD1 3.98Å; M103-Y119 HydrophobicContact CB-CE1 4.35Å; M103-Y119 HydrophobicContact CG-CD1 3.79Å; M103-Y119 HydrophobicContact CG-CE1 3.78Å; M103-Y119 HydrophobicContact SD-CD1 3.84Å; M103-Y119 HydrophobicContact SD-CE1 3.23Å; M103-Y119 WeakPolarHBondContact SD-CE1 3.12Å; M103-Y155 WeakPolarHBondContact CE-O 3.09Å; M103-E156 HydrophobicContact CE-CB 4Å; M103-E156 HydrophobicContact CE-CG 3.44Å; M103-E156 VanDerWaalsContact CE-CG 3.44Å; M103-E156 HydrophobicContact SD-CG 4.13Å; M103-V159 HydrophobicContact CE-CB 4.06Å; M103-V159 HydrophobicContact CE-CG2 3.67Å; M103-V159 HydrophobicContact CG-CG2 4.49Å; M103-F167 HydrophobicContact CE-CE1 4.44Å; M103-F167 HydrophobicContact CE-CE2 4.36Å; M103-F167 HydrophobicContact CE-CZ 3.82Å; M103-F167 HydrophobicContact SD-CE1 4.24Å; M103-F167 HydrophobicContact SD-CZ 4.05Å
104	T	95.9	Very high	94.9	Very high	59 Å²	59	51.4 Å²	51.4	36%	0.362	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.2	175	52.6	0	0	0	0	110.1	F102 I117 V118	F102-T104 HydrophobicContact CD2-CG2 3.74Å; F102-T104 HydrophobicContact CE2-CG2 4Å; T104-I117 CarbonylContact O-C 3.36Å; T104-I117 WeakPolarHBondContact O-CA 3.13Å; T104-V118 PolarHBondContact N-O 2.75Å; T104-V118 PolarHBondContact O-N 2.98Å
105	A	96.8	Very high	95.1	Very high	7 Å²	7	50 Å²	50	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	151.4	166.5	0	0	0	0	0	110.2	E116 I117 V159 F163	A105-E116 CarbonylContact C-O 3.5Å; A105-E116 VanDerWaalsContact CA-O 3.31Å; A105-E116 WeakPolarHBondContact CA-O 3.48Å; A105-I117 HydrophobicContact CB-CG1 4.44Å; A105-V159 HydrophobicContact CB-CG1 3.75Å; A105-V159 HydrophobicContact CB-CG2 4.34Å; A105-F163 HydrophobicContact CB-CB 4.41Å; A105-F163 HydrophobicContact CB-CD1 4.24Å; A105-F163 HydrophobicContact CB-CD2 3.65Å; A105-F163 HydrophobicContact CB-CE1 4.45Å; A105-F163 HydrophobicContact CB-CE2 3.87Å; A105-F163 HydrophobicContact CB-CG 3.84Å; A105-F163 HydrophobicContact CB-CZ 4.27Å; A105-F163 WeakPolarHBondContact O-CE2 3.4Å; A105-F163 WeakPolarHBondContact O-CZ 3.31Å
106	V	96.5	Very high	95.2	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.376	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	119.8	176.2	-176.6	0	0	0	0	107.7	V108 E116 V118	V106-V108 HydrophobicContact CG1-CG2 4.02Å; V106-E116 HydrophobicContact CB-CB 4.41Å; V106-E116 PolarHBondContact N-O 3.18Å; V106-E116 PolarHBondContact O-N 2.87Å; V106-V118 HydrophobicContact CG2-CG2 4.43Å
107	D	96.4	Very high	95.3	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.032	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.1	175.1	-179.1	10.1	0	0	0	110.7	R114 F115 F163 R188 K189	D107-R114 VanDerWaalsContact CG-NE 3.31Å; D107-R114 WeakPolarHBondContact OD1-CD 3.1Å; D107-R114 WeakPolarHBondContact OD1-CG 3.35Å; D107-R114 IonicContact OD1-CZ 3.46Å; D107-R114 IonicContact OD1-NE 2.8Å; D107-R114 PolarHBondContact OD1-NE 3.26Å; D107-R114 IonicContact OD1-NH2 3.61Å; D107-R114 IonicContact OD2-CZ 3.3Å; D107-R114 IonicContact OD2-NE 2.92Å; D107-R114 PolarHBondContact OD2-NE 3.43Å; D107-R114 IonicContact OD2-NH2 3.74Å; D107-R114 PolarHBondContact OD2-NH2 3.46Å; D107-F115 HydrophobicContact CB-CD1 4.03Å; D107-F115 HydrophobicContact CB-CE1 3.97Å; D107-F163 HydrophobicContact CB-CD1 4.14Å; D107-F163 HydrophobicContact CB-CE1 4.08Å; D107-R188 VanDerWaalsContact OD2-CA 3.27Å; D107-R188 WeakPolarHBondContact OD2-CA 3.41Å; D107-K189 HydrophobicContact CB-CG 4.11Å; D107-K189 PolarHBondContact OD2-N 3.37Å
108	V	94.9	Very high	95.4	Very high	31 Å²	31	48.4 Å²	48.4	19%	0.188	27%	0.269	C	S	.	.			trans	-125.1	90.3	175.2	-172.2	0	0	0	0	108.8	V106 T110 R111 R114	V106-V108 HydrophobicContact CG1-CG2 4.02Å; V108-T110 WeakPolarHBondContact CG1-OG1 3.37Å; V108-T110 PolarHBondContact O-N 3.1Å; V108-R111 HydrophobicContact CB-CG 4.29Å; V108-R111 HydrophobicContact CG1-CG 3.87Å; V108-R111 PolarHBondContact O-N 3.48Å; V108-R111 VanDerWaalsContact O-N 3.14Å; V108-R114 PolarHBondContact N-O 2.52Å
109	P	94	Very high	95.5	Very high	80 Å²	80	44.9 Å²	44.9	52%	0.519	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.4	-172.1	25.8	-35.8	0	0	0	114.3	R111 K189	P109-R111 VanDerWaalsContact C-N 3.27Å; P109-R111 PolarHBondContact O-N 3.06Å; P109-K189 HydrophobicContact CG-CB 4.35Å
110	T	92.8	Very high	95.6	Very high	125 Å²	125	41.8 Å²	41.8	77%	0.767	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-9.3	177.9	55	0	0	0	0	113.6	V108	V108-T110 WeakPolarHBondContact CG1-OG1 3.37Å; V108-T110 PolarHBondContact O-N 3.1Å
111	R	92.5	Very high	95.6	Very high	89 Å²	89	40.9 Å²	40.9	34%	0.336	23%	0.227	S	C	.	.	S	Bend	trans	-97.5	150	179.8	-64.9	-179.9	-174.9	173.9	4	110.5	V108 P109 M113 E116	V108-R111 HydrophobicContact CB-CG 4.29Å; V108-R111 HydrophobicContact CG1-CG 3.87Å; V108-R111 PolarHBondContact O-N 3.48Å; V108-R111 VanDerWaalsContact O-N 3.14Å; P109-R111 VanDerWaalsContact C-N 3.27Å; P109-R111 PolarHBondContact O-N 3.06Å; R111-M113 VanDerWaalsContact C-N 3.29Å; R111-M113 VanDerWaalsContact CB-O 3.32Å; R111-M113 WeakPolarHBondContact CB-O 3.38Å; R111-M113 PolarHBondContact O-N 3.25Å; R111-E116 IonicContact CZ-OE2 3.4Å; R111-E116 IonicContact NH1-OE2 2.72Å; R111-E116 PolarHBondContact NH1-OE2 3.37Å; R111-E116 IonicContact NH2-OE2 3.39Å; R111-E116 PolarHBondContact NH2-OE2 3.46Å
112	P	92.9	Very high	95.7	Very high	130 Å²	130	39.3 Å²	39.3	84%	0.844	22%	0.219	S	C	*	.	S	Bend	trans	-62.9	-39.1	173.4	25.9	-33.6	0	0	0	111.5
113	M	94	Very high	95.7	Very high	70 Å²	70	35.8 Å²	35.8	35%	0.345	20%	0.204	S	C	.	.	S	Bend	trans	-93.4	96.6	168.5	-63.5	-66.1	-163.2	0	0	107.8	R111 F115 Y135 T136 D137	R111-M113 VanDerWaalsContact C-N 3.29Å; R111-M113 VanDerWaalsContact CB-O 3.32Å; R111-M113 WeakPolarHBondContact CB-O 3.38Å; R111-M113 PolarHBondContact O-N 3.25Å; M113-F115 PolarHBondContact O-N 2.87Å; M113-Y135 HydrophobicContact CB-CD2 3.92Å; M113-Y135 HydrophobicContact CB-CG 4.35Å; M113-Y135 HydrophobicContact CE-CD2 4.41Å; M113-Y135 HydrophobicContact CE-CE2 4.33Å; M113-Y135 HydrophobicContact CG-CD2 3.62Å; M113-Y135 HydrophobicContact CG-CE2 4.2Å; M113-Y135 HydrophobicContact CG-CG 4.48Å; M113-Y135 HydrophobicContact SD-CD2 4.35Å; M113-T136 CarbonylContact C-O 3.59Å; M113-D137 HydrophobicContact SD-CB 3.79Å
114	R	94.6	Very high	95.7	Very high	26 Å²	26	41 Å²	41	10%	0.098	23%	0.231	C	C	.	.			trans	-61.7	-39.3	-169.6	178.6	175.3	-178	173.1	2	113	D107 V108 T136 E138 D190	D107-R114 VanDerWaalsContact CG-NE 3.31Å; D107-R114 WeakPolarHBondContact OD1-CD 3.1Å; D107-R114 WeakPolarHBondContact OD1-CG 3.35Å; D107-R114 IonicContact OD1-CZ 3.46Å; D107-R114 IonicContact OD1-NE 2.8Å; D107-R114 PolarHBondContact OD1-NE 3.26Å; D107-R114 IonicContact OD1-NH2 3.61Å; D107-R114 IonicContact OD2-CZ 3.3Å; D107-R114 IonicContact OD2-NE 2.92Å; D107-R114 PolarHBondContact OD2-NE 3.43Å; D107-R114 IonicContact OD2-NH2 3.74Å; D107-R114 PolarHBondContact OD2-NH2 3.46Å; V108-R114 PolarHBondContact N-O 2.52Å; R114-T136 PolarHBondContact N-O 2.88Å; R114-E138 WeakPolarHBondContact CD-OE1 3.27Å; R114-E138 IonicContact CZ-OE1 2.8Å; R114-E138 IonicContact NE-OE1 3.77Å; R114-E138 IonicContact NH1-OE1 3.28Å; R114-E138 PolarHBondContact NH1-OE1 2.87Å; R114-D190 IonicContact CZ-OD1 2.73Å; R114-D190 IonicContact CZ-OD2 2.76Å; R114-D190 IonicContact NH1-OD1 3.51Å; R114-D190 IonicContact NH1-OD2 3.27Å; R114-D190 PolarHBondContact NH1-OD2 3.41Å; R114-D190 IonicContact NH2-OD1 3.54Å; R114-D190 PolarHBondContact NH2-OD1 3.48Å; R114-D190 IonicContact NH2-OD2 3.94Å; R114-D190 PolarHBondContact NH2-OD2 2.99Å
115	F	97	Very high	95.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.5	-172.8	-57.7	-57.6	0	0	0	111.5	D107 M113 Y135 T136 D137 E138 F163 V165 R188	D107-F115 HydrophobicContact CB-CD1 4.03Å; D107-F115 HydrophobicContact CB-CE1 3.97Å; M113-F115 PolarHBondContact O-N 2.87Å; F115-Y135 CarbonylContact O-C 3.47Å; F115-Y135 VanDerWaalsContact O-CA 3.26Å; F115-Y135 WeakPolarHBondContact O-CA 3.34Å; F115-T136 HydrophobicContact CB-CG2 3.87Å; F115-T136 HydrophobicContact CD2-CG2 4.34Å; F115-T136 PolarHBondContact N-O 3.29Å; F115-T136 PolarHBondContact O-N 2.9Å; F115-D137 WeakPolarHBondContact CD2-O 3.26Å; F115-E138 HydrophobicContact CE2-CB 4.28Å; F115-E138 HydrophobicContact CE2-CG 3.79Å; F115-E138 HydrophobicContact CZ-CG 4.29Å; F115-F163 HydrophobicContact CD1-CB 4.36Å; F115-F163 HydrophobicContact CD1-CD1 4.2Å; F115-F163 HydrophobicContact CE1-CB 4.17Å; F115-F163 HydrophobicContact CE1-CD1 4.14Å; F115-F163 VanDerWaalsContact CZ-O 3.29Å; F115-F163 WeakPolarHBondContact CZ-O 3.48Å; F115-V165 HydrophobicContact CB-CG2 4.07Å; F115-V165 HydrophobicContact CD2-CG2 3.64Å; F115-V165 HydrophobicContact CE2-CG2 4.24Å; F115-V165 HydrophobicContact CG-CG2 3.88Å; F115-R188 HydrophobicContact CE1-CG 4.31Å; F115-R188 HydrophobicContact CZ-CG 4.28Å
116	E	96.2	Very high	95.5	Very high	26 Å²	26	48 Å²	48	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.4	169	-177.7	-179.2	158.5	0	0	108.6	A105 V106 R111 V118 K133 T134	A105-E116 CarbonylContact C-O 3.5Å; A105-E116 VanDerWaalsContact CA-O 3.31Å; A105-E116 WeakPolarHBondContact CA-O 3.48Å; V106-E116 HydrophobicContact CB-CB 4.41Å; V106-E116 PolarHBondContact N-O 3.18Å; V106-E116 PolarHBondContact O-N 2.87Å; R111-E116 IonicContact CZ-OE2 3.4Å; R111-E116 IonicContact NH1-OE2 2.72Å; R111-E116 PolarHBondContact NH1-OE2 3.37Å; R111-E116 IonicContact NH2-OE2 3.39Å; R111-E116 PolarHBondContact NH2-OE2 3.46Å; E116-V118 HydrophobicContact CG-CG2 4.49Å; E116-K133 WeakPolarHBondContact OE1-CD 3.23Å; E116-K133 WeakPolarHBondContact OE1-CE 3.28Å; E116-K133 IonicContact OE1-NZ 3.2Å; E116-K133 PolarHBondContact OE1-NZ 3Å; E116-T134 CarbonylContact C-O 3.53Å; E116-T134 WeakPolarHBondContact CA-O 3.48Å
117	I	97.1	Very high	95.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.2	177.6	-51.4	-178.8	0	0	0	109	M103 T104 A105 Y119 K133 T134 T136 I142 V165 F167	M103-I117 HydrophobicContact CG-CG2 3.69Å; M103-I117 HydrophobicContact SD-CG2 3.79Å; T104-I117 CarbonylContact O-C 3.36Å; T104-I117 WeakPolarHBondContact O-CA 3.13Å; A105-I117 HydrophobicContact CB-CG1 4.44Å; I117-Y119 HydrophobicContact CB-CE2 4.38Å; I117-Y119 HydrophobicContact CG2-CD2 4.41Å; I117-Y119 HydrophobicContact CG2-CE1 4.24Å; I117-Y119 HydrophobicContact CG2-CE2 3.76Å; I117-K133 CarbonylContact O-C 3.47Å; I117-K133 WeakPolarHBondContact O-CA 3.37Å; I117-T134 WeakPolarHBondContact CB-OG1 3.45Å; I117-T134 PolarHBondContact N-O 3.33Å; I117-T134 PolarHBondContact O-N 3.31Å; I117-T134 PolarHBondContact O-OG1 3.01Å; I117-T136 HydrophobicContact CD1-CG2 4.28Å; I117-I142 HydrophobicContact CD1-CD1 3.37Å; I117-I142 HydrophobicContact CD1-CG1 4.48Å; I117-I142 HydrophobicContact CG1-CD1 4.29Å; I117-V165 HydrophobicContact CD1-CG1 3.9Å; I117-F167 HydrophobicContact CD1-CE1 4.15Å; I117-F167 HydrophobicContact CD1-CZ 4.13Å
118	V	97.3	Very high	95.3	Very high	10 Å²	10	53 Å²	53	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.3	-176.5	-173.2	0	0	0	0	108.9	M103 T104 V106 E116 K133	M103-V118 CarbonylContact C-O 3.58Å; M103-V118 VanDerWaalsContact CA-O 3.26Å; M103-V118 WeakPolarHBondContact CA-O 3.23Å; T104-V118 PolarHBondContact N-O 2.75Å; T104-V118 PolarHBondContact O-N 2.98Å; V106-V118 HydrophobicContact CG2-CG2 4.43Å; E116-V118 HydrophobicContact CG-CG2 4.49Å; V118-K133 HydrophobicContact CG1-CG 4.27Å; V118-K133 HydrophobicContact CG2-CG 4.2Å
119	Y	97.4	Very high	95.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.9	172.4	-54.7	-87.9	0	0	0	109.1	M86 F100 M103 I117 R131 V132 T134 I145	M86-Y119 HydrophobicContact CE-CD1 3.78Å; M86-Y119 HydrophobicContact CE-CE1 4.48Å; M86-Y119 HydrophobicContact CE-CG 3.85Å; F100-Y119 HydrophobicContact CE2-CD1 4.09Å; M103-Y119 HydrophobicContact CB-CD1 3.98Å; M103-Y119 HydrophobicContact CB-CE1 4.35Å; M103-Y119 HydrophobicContact CG-CD1 3.79Å; M103-Y119 HydrophobicContact CG-CE1 3.78Å; M103-Y119 HydrophobicContact SD-CD1 3.84Å; M103-Y119 HydrophobicContact SD-CE1 3.23Å; M103-Y119 WeakPolarHBondContact SD-CE1 3.12Å; I117-Y119 HydrophobicContact CB-CE2 4.38Å; I117-Y119 HydrophobicContact CG2-CD2 4.41Å; I117-Y119 HydrophobicContact CG2-CE1 4.24Å; I117-Y119 HydrophobicContact CG2-CE2 3.76Å; Y119-R131 CarbonylContact O-C 3.35Å; Y119-R131 VanDerWaalsContact O-CA 3.26Å; Y119-R131 WeakPolarHBondContact O-CA 3.49Å; Y119-V132 HydrophobicContact CD2-CB 4.41Å; Y119-V132 HydrophobicContact CD2-CG1 4.5Å; Y119-V132 PolarHBondContact N-O 2.79Å; Y119-V132 PolarHBondContact O-N 3.24Å; Y119-T134 HydrophobicContact CE2-CG2 4.12Å; Y119-I145 HydrophobicContact CD1-CD1 3.63Å; Y119-I145 HydrophobicContact CE1-CD1 3.58Å; Y119-I145 HydrophobicContact CE1-CG1 4.08Å; Y119-I145 HydrophobicContact CE1-CG2 4.32Å
120	A	96.8	Very high	95.4	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122	175.9	0	0	0	0	0	110.8	I101 F102	I101-A120 HydrophobicContact CB-CB 4.22Å; I101-A120 PolarHBondContact N-O 2.99Å; F102-A120 HydrophobicContact CD1-CB 3.59Å; F102-A120 HydrophobicContact CD2-CB 4.04Å; F102-A120 HydrophobicContact CE1-CB 3.39Å; F102-A120 HydrophobicContact CE2-CB 3.87Å; F102-A120 HydrophobicContact CG-CB 3.92Å; F102-A120 HydrophobicContact CZ-CB 3.55Å; F102-A120 PolarHBondContact O-N 3.39Å
121	L	96.9	Very high	95.6	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.6	-175.9	-64.1	179.3	0	0	0	111.6	M86 L89 F97 F100 R129 C130 V132 F149	M86-L121 HydrophobicContact CE-CD1 4.39Å; M86-L121 HydrophobicContact CE-CD2 4.13Å; M86-L121 HydrophobicContact SD-CD1 3.91Å; L89-L121 HydrophobicContact CB-CD1 4.13Å; L89-L121 HydrophobicContact CD1-CD1 3.76Å; F97-L121 HydrophobicContact CB-CB 4.04Å; F97-L121 HydrophobicContact CB-CD1 4.18Å; F97-L121 HydrophobicContact CD1-CB 3.7Å; F97-L121 HydrophobicContact CE1-CB 4.48Å; F97-L121 HydrophobicContact CG-CB 4.04Å; F97-L121 HydrophobicContact CG-CD1 4.43Å; F100-L121 HydrophobicContact CD2-CD2 3.81Å; L121-R129 WeakPolarHBondContact O-CA 3.39Å; L121-C130 PolarHBondContact N-O 3.2Å; L121-C130 PolarHBondContact O-N 3.47Å; L121-V132 HydrophobicContact CD1-CG2 4.31Å; L121-F149 HydrophobicContact CD2-CE1 4.48Å; L121-F149 HydrophobicContact CD2-CE2 3.9Å; L121-F149 HydrophobicContact CD2-CZ 3.79Å
122	L	96.9	Very high	95.8	Very high	24 Å²	24	48.7 Å²	48.7	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.2	175.6	173.5	67.6	0	0	0	110.9	N99 I101 L124 R129	N99-L122 HydrophobicContact CB-CB 4.2Å; N99-L122 PolarHBondContact N-O 2.99Å; N99-L122 VanDerWaalsContact N-O 3.1Å; N99-L122 PolarHBondContact O-N 2.94Å; I101-L122 HydrophobicContact CD1-CB 3.63Å; I101-L122 HydrophobicContact CG1-CB 3.81Å; L122-L124 HydrophobicContact CD2-CD2 3.85Å; L122-L124 HydrophobicContact CG-CD2 4.22Å; L122-R129 HydrophobicContact CD1-CG 3.77Å
123	S	96.5	Very high	96	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.2	165.2	-179.7	0	0	0	0	108.9	C95 Q96 F97 Y126 N127 A128	C95-S123 WeakPolarHBondContact O-CB 3.34Å; C95-S123 PolarHBondContact O-OG 2.91Å; Q96-S123 WeakPolarHBondContact O-CA 3.46Å; Q96-S123 VanDerWaalsContact O-CB 3.24Å; Q96-S123 WeakPolarHBondContact O-CB 3.26Å; Q96-S123 PolarHBondContact O-OG 2.9Å; F97-S123 VanDerWaalsContact CD1-N 3.3Å; S123-Y126 WeakPolarHBondContact OG-CD2 3.05Å; S123-Y126 PolarHBondContact OG-N 3.1Å; S123-N127 WeakPolarHBondContact O-CA 3.41Å; S123-N127 PolarHBondContact O-N 3.22Å; S123-A128 PolarHBondContact N-O 3.49Å; S123-A128 PolarHBondContact O-N 3.11Å
124	L	95.8	Very high	96.1	Very high	110 Å²	110	40.3 Å²	40.3	58%	0.576	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-34.8	176.7	-64.7	175.4	0	0	0	111.7	N99 L122	N99-L124 HydrophobicContact CB-CG 4.49Å; L122-L124 HydrophobicContact CD2-CD2 3.85Å; L122-L124 HydrophobicContact CG-CD2 4.22Å
125	V	95.8	Very high	96.2	Very high	95 Å²	95	42.1 Å²	42.1	58%	0.576	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-42.7	-177.3	178.5	0	0	0	0	111.3	Q96	Q96-V125 VanDerWaalsContact OE1-CG2 3.24Å
126	Y	94	Very high	96.2	Very high	119 Å²	119	42.3 Å²	42.3	47%	0.467	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.1	178.9	-60.4	-63.7	0	0	0	113.6	H93 A94 Q96 S123 A128	H93-Y126 PolarHBondContact O-OH 3.29Å; A94-Y126 WeakPolarHBondContact O-CE2 3.5Å; Q96-Y126 HydrophobicContact CB-CD2 4.5Å; Q96-Y126 HydrophobicContact CB-CE2 4.18Å; Q96-Y126 HydrophobicContact CG-CE2 4.4Å; S123-Y126 WeakPolarHBondContact OG-CD2 3.05Å; S123-Y126 PolarHBondContact OG-N 3.1Å; Y126-A128 PolarHBondContact O-N 3.13Å
127	N	94.2	Very high	96.1	Very high	141 Å²	141	43 Å²	43	75%	0.754	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	45	47.8	-171.9	-168.5	20.5	0	0	0	112.1	S123	S123-N127 WeakPolarHBondContact O-CA 3.41Å; S123-N127 PolarHBondContact O-N 3.22Å
128	A	93.7	Very high	95.9	Very high	31 Å²	31	46.7 Å²	46.7	26%	0.256	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.4	-174.2	0	0	0	0	0	110.5	F97 S123 Y126	F97-A128 WeakPolarHBondContact CE1-O 3.43Å; S123-A128 PolarHBondContact N-O 3.49Å; S123-A128 PolarHBondContact O-N 3.11Å; Y126-A128 PolarHBondContact O-N 3.13Å
129	R	95.6	Very high	95.7	Very high	180 Å²	180	53.5 Å²	53.5	68%	0.679	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.3	176.8	-66.9	-179.4	-177	175.9	-0.5	110.3	L121 L122	L121-R129 WeakPolarHBondContact O-CA 3.39Å; L122-R129 HydrophobicContact CD1-CG 3.77Å
130	C	94.8	Very high	95.6	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	143.7	174.5	-176.1	0	0	0	0	109.3	I75 F97 L121	I75-C130 VanDerWaalsContact CD1-SG 3.52Å; F97-C130 HydrophobicContact CD1-CB 4.45Å; F97-C130 HydrophobicContact CE1-CB 3.64Å; F97-C130 HydrophobicContact CE2-CB 4.17Å; F97-C130 HydrophobicContact CZ-CB 3.49Å; F97-C130 VanDerWaalsContact CZ-CB 3.49Å; L121-C130 PolarHBondContact N-O 3.2Å; L121-C130 PolarHBondContact O-N 3.47Å
131	R	96.8	Very high	95.5	Very high	52 Å²	52	58.7 Å²	58.7	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.1	172.3	-70	-169.4	-76.2	126.2	2.4	109.5	E72 L73 E74 I75 Y119	E72-R131 IonicContact OE2-CZ 3.31Å; E72-R131 IonicContact OE2-NE 2.75Å; E72-R131 PolarHBondContact OE2-NE 3.45Å; E72-R131 IonicContact OE2-NH2 2.98Å; E72-R131 PolarHBondContact OE2-NH2 3.11Å; L73-R131 PolarHBondContact O-N 3.16Å; E74-R131 CarbonylContact C-O 3.6Å; E74-R131 VanDerWaalsContact CA-O 3.28Å; E74-R131 WeakPolarHBondContact CA-O 3.36Å; E74-R131 HydrophobicContact CG-CB 4.24Å; E74-R131 IonicContact OE1-CZ 3Å; E74-R131 IonicContact OE1-NH1 3.25Å; E74-R131 PolarHBondContact OE1-NH1 2.9Å; E74-R131 IonicContact OE1-NH2 3.8Å; E74-R131 PolarHBondContact OE1-NH2 3.3Å; I75-R131 PolarHBondContact N-O 3.42Å; Y119-R131 CarbonylContact O-C 3.35Å; Y119-R131 VanDerWaalsContact O-CA 3.26Å; Y119-R131 WeakPolarHBondContact O-CA 3.49Å
132	V	97.1	Very high	95.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.3	173.6	-178.4	0	0	0	0	107.6	I75 I77 V85 M86 L89 Y119 L121	I75-V132 CarbonylContact O-C 3.59Å; I75-V132 WeakPolarHBondContact O-CA 3.19Å; I77-V132 HydrophobicContact CD1-CG1 3.47Å; I77-V132 VanDerWaalsContact CD1-CG1 3.47Å; I77-V132 HydrophobicContact CG1-CG1 3.78Å; I77-V132 HydrophobicContact CG2-CG1 4.13Å; V85-V132 HydrophobicContact CG1-CG1 4.48Å; M86-V132 HydrophobicContact SD-CG2 4.37Å; L89-V132 HydrophobicContact CD1-CG2 3.47Å; L89-V132 VanDerWaalsContact CD1-CG2 3.47Å; Y119-V132 HydrophobicContact CD2-CB 4.41Å; Y119-V132 HydrophobicContact CD2-CG1 4.5Å; Y119-V132 PolarHBondContact N-O 2.79Å; Y119-V132 PolarHBondContact O-N 3.24Å; L121-V132 HydrophobicContact CD1-CG2 4.31Å
133	K	96.9	Very high	95.4	Very high	22 Å²	22	60.2 Å²	60.2	10%	0.096	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.5	-176.2	-68.7	179.1	154.8	-164.5	0	110.7	E74 I75 M76 I77 E116 I117 V118	E74-K133 HydrophobicContact CB-CD 4.44Å; E74-K133 VanDerWaalsContact CD-CE 3.48Å; E74-K133 HydrophobicContact CG-CD 4.49Å; E74-K133 IonicContact OE1-NZ 2.64Å; E74-K133 PolarHBondContact OE1-NZ 2.82Å; E74-K133 VanDerWaalsContact OE2-CD 3.25Å; E74-K133 WeakPolarHBondContact OE2-CD 3.21Å; E74-K133 WeakPolarHBondContact OE2-CE 3.4Å; E74-K133 IonicContact OE2-NZ 3.47Å; E74-K133 PolarHBondContact OE2-NZ 3.07Å; I75-K133 PolarHBondContact O-N 2.84Å; M76-K133 HydrophobicContact CG-CB 4.23Å; I77-K133 WeakPolarHBondContact CG1-O 3.31Å; I77-K133 PolarHBondContact N-O 2.86Å; E116-K133 WeakPolarHBondContact OE1-CD 3.23Å; E116-K133 WeakPolarHBondContact OE1-CE 3.28Å; E116-K133 IonicContact OE1-NZ 3.2Å; E116-K133 PolarHBondContact OE1-NZ 3Å; I117-K133 CarbonylContact O-C 3.47Å; I117-K133 WeakPolarHBondContact O-CA 3.37Å; V118-K133 HydrophobicContact CG1-CG 4.27Å; V118-K133 HydrophobicContact CG2-CG 4.2Å
134	T	97	Very high	95.5	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	170	175.7	58.3	0	0	0	0	108.8	I77 V82 E116 I117 Y119	I77-T134 HydrophobicContact CD1-CG2 3.45Å; I77-T134 VanDerWaalsContact CD1-CG2 3.45Å; I77-T134 HydrophobicContact CG1-CG2 3.21Å; V82-T134 HydrophobicContact CG2-CG2 3.44Å; V82-T134 VanDerWaalsContact CG2-CG2 3.44Å; E116-T134 CarbonylContact C-O 3.53Å; E116-T134 WeakPolarHBondContact CA-O 3.48Å; I117-T134 WeakPolarHBondContact CB-OG1 3.45Å; I117-T134 PolarHBondContact N-O 3.33Å; I117-T134 PolarHBondContact O-N 3.31Å; I117-T134 PolarHBondContact O-OG1 3.01Å; Y119-T134 HydrophobicContact CE2-CG2 4.12Å
135	Y	96.8	Very high	95.5	Very high	64 Å²	64	55.2 Å²	55.2	25%	0.251	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.1	178.4	54.5	-97.3	0	0	0	109.9	Q63 H78 P79 M113 F115	Q63-Y135 PolarHBondContact NE2-OH 3.12Å; H78-Y135 PolarHBondContact CD2-OH 2.91Å; H78-Y135 VanDerWaalsContact CD2-OH 3.25Å; P79-Y135 HydrophobicContact CG-CE2 4.12Å; M113-Y135 HydrophobicContact CB-CD2 3.92Å; M113-Y135 HydrophobicContact CB-CG 4.35Å; M113-Y135 HydrophobicContact CE-CD2 4.41Å; M113-Y135 HydrophobicContact CE-CE2 4.33Å; M113-Y135 HydrophobicContact CG-CD2 3.62Å; M113-Y135 HydrophobicContact CG-CE2 4.2Å; M113-Y135 HydrophobicContact CG-CG 4.48Å; M113-Y135 HydrophobicContact SD-CD2 4.35Å; F115-Y135 CarbonylContact O-C 3.47Å; F115-Y135 VanDerWaalsContact O-CA 3.26Å; F115-Y135 WeakPolarHBondContact O-CA 3.34Å
136	T	96.6	Very high	95.5	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164.3	172.2	-163.9	0	0	0	0	111.2	M113 R114 F115 I117 T140 I142 V165	M113-T136 CarbonylContact C-O 3.59Å; R114-T136 PolarHBondContact N-O 2.88Å; F115-T136 HydrophobicContact CB-CG2 3.87Å; F115-T136 HydrophobicContact CD2-CG2 4.34Å; F115-T136 PolarHBondContact N-O 3.29Å; F115-T136 PolarHBondContact O-N 2.9Å; I117-T136 HydrophobicContact CD1-CG2 4.28Å; T136-T140 PolarHBondContact OG1-O 2.88Å; T136-I142 HydrophobicContact CG2-CD1 3.84Å; T136-V165 HydrophobicContact CG2-CG1 3.88Å; T136-V165 HydrophobicContact CG2-CG2 3.98Å
137	D	94.9	Very high	95.5	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	26%	0.26	C	S	.	.			trans	-94.5	-167	168	64.4	6.1	0	0	0	109.9	M113 F115 L139 T140	M113-D137 HydrophobicContact SD-CB 3.79Å; F115-D137 WeakPolarHBondContact CD2-O 3.26Å; D137-L139 PolarHBondContact OD1-N 2.94Å; D137-T140 VanDerWaalsContact OD1-CA 3.26Å; D137-T140 WeakPolarHBondContact OD1-CA 3.26Å; D137-T140 WeakPolarHBondContact OD1-CB 3.32Å; D137-T140 PolarHBondContact OD1-N 3.45Å; D137-T140 PolarHBondContact OD1-OG1 2.79Å; D137-T140 PolarHBondContact OD2-OG1 2.99Å
138	E	92.6	Very high	95.6	Very high	78 Å²	78	43.8 Å²	43.8	36%	0.364	23%	0.226	S	C	.	.	S	Bend	trans	-80.6	-17.6	-178.2	-51	-165.2	-177.3	0	0	114.2	R114 F115 R188	R114-E138 WeakPolarHBondContact CD-OE1 3.27Å; R114-E138 IonicContact CZ-OE1 2.8Å; R114-E138 IonicContact NE-OE1 3.77Å; R114-E138 IonicContact NH1-OE1 3.28Å; R114-E138 PolarHBondContact NH1-OE1 2.87Å; F115-E138 HydrophobicContact CE2-CB 4.28Å; F115-E138 HydrophobicContact CE2-CG 3.79Å; F115-E138 HydrophobicContact CZ-CG 4.29Å; E138-R188 IonicContact OE1-NH1 3.43Å; E138-R188 IonicContact OE2-CZ 3.75Å; E138-R188 IonicContact OE2-NH1 2.8Å; E138-R188 PolarHBondContact OE2-NH1 2.64Å; E138-R188 IonicContact OE2-NH2 3.2Å
139	L	93.5	Very high	95.7	Very high	153 Å²	153	42.8 Å²	42.8	80%	0.801	22%	0.216	S	C	*	.	S	Bend	trans	-114.5	-32.4	-168.2	-63.1	177.2	0	0	0	112.8	D137 P141	D137-L139 PolarHBondContact OD1-N 2.94Å; L139-P141 WeakPolarHBondContact O-CD 3.34Å
140	T	94.7	Very high	95.6	Very high	66 Å²	66	42.5 Å²	42.5	41%	0.405	22%	0.222	S	C	.	.	S	Bend	trans	-75.8	119.7	-179.7	-53.4	0	0	0	0	108.3	T136 D137	T136-T140 PolarHBondContact OG1-O 2.88Å; D137-T140 VanDerWaalsContact OD1-CA 3.26Å; D137-T140 WeakPolarHBondContact OD1-CA 3.26Å; D137-T140 WeakPolarHBondContact OD1-CB 3.32Å; D137-T140 PolarHBondContact OD1-N 3.45Å; D137-T140 PolarHBondContact OD1-OG1 2.79Å; D137-T140 PolarHBondContact OD2-OG1 2.99Å
141	P	95.1	Very high	95.6	Very high	47 Å²	47	44.7 Å²	44.7	31%	0.305	25%	0.246	S	C	.	.			trans	-80.7	154.8	178.8	38.1	-39.5	0	0	0	110.3	L139 T166 L168	L139-P141 WeakPolarHBondContact O-CD 3.34Å; P141-T166 VanDerWaalsContact CA-O 3.3Å; P141-T166 WeakPolarHBondContact CA-O 3.35Å; P141-T166 WeakPolarHBondContact CB-OG1 3.46Å; P141-L168 HydrophobicContact CB-CD1 4.32Å; P141-L168 HydrophobicContact CB-CD2 3.89Å; P141-L168 HydrophobicContact CB-CG 3.72Å; P141-L168 HydrophobicContact CG-CD1 3.74Å; P141-L168 HydrophobicContact CG-CD2 3.8Å; P141-L168 HydrophobicContact CG-CG 3.67Å
142	I	95.8	Very high	95.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.7	174.5	-81.3	178	0	0	0	110.1	P79 V82 I117 T136 S144 T166 F167 L168	P79-I142 HydrophobicContact CB-CD1 4.4Å; P79-I142 HydrophobicContact CB-CG1 4.25Å; V82-I142 HydrophobicContact CG2-CG2 4.24Å; I117-I142 HydrophobicContact CD1-CD1 3.37Å; I117-I142 HydrophobicContact CD1-CG1 4.48Å; I117-I142 HydrophobicContact CG1-CD1 4.29Å; T136-I142 HydrophobicContact CG2-CD1 3.84Å; I142-S144 PolarHBondContact O-N 2.72Å; I142-T166 PolarHBondContact N-O 3.24Å; I142-F167 HydrophobicContact CB-CD1 4.32Å; I142-F167 HydrophobicContact CB-CE1 4.42Å; I142-F167 HydrophobicContact CG2-CD1 4.12Å; I142-F167 HydrophobicContact CG2-CE1 4.1Å; I142-F167 CarbonylContact O-C 3.51Å; I142-F167 WeakPolarHBondContact O-CA 3.49Å; I142-L168 PolarHBondContact O-N 2.65Å
143	D	96.4	Very high	95.5	Very high	56 Å²	56	45.1 Å²	45.1	30%	0.299	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.2	175.1	-70.8	-25.5	0	0	0	112.1	I83	I83-D143 HydrophobicContact CD1-CB 3.64Å; I83-D143 HydrophobicContact CG1-CB 3.93Å
144	S	96.9	Very high	95.4	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	28%	0.275	C	S	.	.			trans	-65.3	134.7	176.9	179.7	0	0	0	0	111.8	I142 T146 E156 L168	I142-S144 PolarHBondContact O-N 2.72Å; S144-T146 VanDerWaalsContact C-N 3.34Å; S144-T146 WeakPolarHBondContact OG-CB 3.43Å; S144-T146 VanDerWaalsContact OG-CG2 3.23Å; S144-T146 WeakPolarHBondContact OG-CG2 3.38Å; S144-T146 PolarHBondContact OG-N 3.33Å; S144-T146 PolarHBondContact OG-OG1 2.92Å; S144-E156 WeakPolarHBondContact CA-OE2 3.42Å; S144-E156 WeakPolarHBondContact CB-OE2 3.15Å; S144-E156 VanDerWaalsContact OG-CD 3.27Å; S144-E156 PolarHBondContact OG-OE1 3.47Å; S144-E156 PolarHBondContact OG-OE2 3.4Å; S144-L168 WeakPolarHBondContact CB-O 3.5Å; S144-L168 PolarHBondContact N-O 2.97Å
145	I	96.4	Very high	95.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.			trans	-91.2	4	175	58.8	158.7	0	0	0	112.6	V82 M86 F100 Y119 S147 V148 F149 A152 E156	V82-I145 HydrophobicContact CG1-CG2 3.29Å; M86-I145 HydrophobicContact CB-CG2 4.4Å; M86-I145 HydrophobicContact CE-CD1 3.61Å; M86-I145 HydrophobicContact CE-CG2 4.37Å; M86-I145 HydrophobicContact CG-CG2 4.02Å; F100-I145 HydrophobicContact CD2-CD1 4.19Å; F100-I145 HydrophobicContact CE2-CD1 3.47Å; F100-I145 VanDerWaalsContact CE2-CD1 3.47Å; F100-I145 HydrophobicContact CZ-CD1 3.86Å; Y119-I145 HydrophobicContact CD1-CD1 3.63Å; Y119-I145 HydrophobicContact CE1-CD1 3.58Å; Y119-I145 HydrophobicContact CE1-CG1 4.08Å; Y119-I145 HydrophobicContact CE1-CG2 4.32Å; I145-S147 PolarHBondContact O-N 3.33Å; I145-S147 VanDerWaalsContact O-N 3.14Å; I145-V148 WeakPolarHBondContact O-CA 3.46Å; I145-V148 WeakPolarHBondContact O-CB 3.35Å; I145-V148 PolarHBondContact O-N 3.25Å; I145-F149 HydrophobicContact CD1-CD2 4.37Å; I145-F149 PolarHBondContact O-N 3.06Å; I145-A152 HydrophobicContact CD1-CB 3.51Å; I145-A152 HydrophobicContact CG1-CB 3.52Å; I145-E156 WeakPolarHBondContact CG1-OE1 3.33Å; I145-E156 PolarHBondContact N-OE1 3.43Å
146	T	96	Very high	95.5	Very high	21 Å²	21	52.4 Å²	52.4	13%	0.129	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.4	179	52.6	0	0	0	0	113.4	S144 V148 F149 E153	S144-T146 VanDerWaalsContact C-N 3.34Å; S144-T146 WeakPolarHBondContact OG-CB 3.43Å; S144-T146 VanDerWaalsContact OG-CG2 3.23Å; S144-T146 WeakPolarHBondContact OG-CG2 3.38Å; S144-T146 PolarHBondContact OG-N 3.33Å; S144-T146 PolarHBondContact OG-OG1 2.92Å; T146-V148 VanDerWaalsContact C-N 3.27Å; T146-V148 PolarHBondContact O-N 3.09Å; T146-F149 WeakPolarHBondContact CA-O 3.15Å; T146-F149 CarbonylContact O-C 3.47Å; T146-E153 HydrophobicContact CG2-CB 3.99Å
147	S	94.7	Very high	95.5	Very high	87 Å²	87	53 Å²	53	61%	0.608	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.8	173.9	63.5	0	0	0	0	113.6	I145	I145-S147 PolarHBondContact O-N 3.33Å; I145-S147 VanDerWaalsContact O-N 3.14Å
148	V	95.5	Very high	95.6	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.048	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-48.8	179.6	-171.6	0	0	0	0	110.4	I83 M86 Q87 K90 I145 T146	I83-V148 HydrophobicContact CG2-CG2 4.28Å; M86-V148 HydrophobicContact CB-CG1 4.35Å; Q87-V148 HydrophobicContact CG-CB 4.43Å; Q87-V148 HydrophobicContact CG-CG1 4.1Å; Q87-V148 HydrophobicContact CG-CG2 3.5Å; K90-V148 HydrophobicContact CB-CG1 4.33Å; K90-V148 HydrophobicContact CD-CG1 3.7Å; K90-V148 PolarHBondContact NZ-O 2.76Å; I145-V148 WeakPolarHBondContact O-CA 3.46Å; I145-V148 WeakPolarHBondContact O-CB 3.35Å; I145-V148 PolarHBondContact O-N 3.25Å; T146-V148 VanDerWaalsContact C-N 3.27Å; T146-V148 PolarHBondContact O-N 3.09Å
149	F	95.7	Very high	95.8	Very high	10 Å²	10	51 Å²	51	4%	0.044	27%	0.268	C	S	.	.			trans	-124.9	104.9	-179.3	-65.2	-74.2	0	0	0	109.6	M86 K90 F97 F100 L121 I145 T146 G151 A152	M86-F149 HydrophobicContact CB-CE2 4.35Å; M86-F149 HydrophobicContact CE-CD2 4.06Å; M86-F149 HydrophobicContact CE-CE2 3.87Å; K90-F149 HydrophobicContact CB-CE1 4.36Å; K90-F149 HydrophobicContact CB-CZ 3.85Å; K90-F149 HydrophobicContact CD-CD1 4.4Å; K90-F149 HydrophobicContact CD-CE1 3.92Å; K90-F149 HydrophobicContact CD-CZ 4.09Å; K90-F149 HydrophobicContact CG-CE1 4.04Å; K90-F149 HydrophobicContact CG-CZ 4.05Å; F97-F149 WeakPolarHBondContact O-CE1 3.32Å; F97-F149 WeakPolarHBondContact O-CZ 3.46Å; F100-F149 HydrophobicContact CB-CB 4.07Å; F100-F149 HydrophobicContact CB-CD1 3.68Å; F100-F149 HydrophobicContact CB-CE1 4.22Å; F100-F149 HydrophobicContact CB-CG 3.87Å; F100-F149 HydrophobicContact CD2-CB 4.37Å; F100-F149 HydrophobicContact CD2-CD2 4.15Å; F100-F149 HydrophobicContact CD2-CG 4.17Å; F100-F149 HydrophobicContact CG-CB 4.2Å; F100-F149 HydrophobicContact CG-CG 4.24Å; L121-F149 HydrophobicContact CD2-CE1 4.48Å; L121-F149 HydrophobicContact CD2-CE2 3.9Å; L121-F149 HydrophobicContact CD2-CZ 3.79Å; I145-F149 HydrophobicContact CD1-CD2 4.37Å; I145-F149 PolarHBondContact O-N 3.06Å; T146-F149 WeakPolarHBondContact CA-O 3.15Å; T146-F149 CarbonylContact O-C 3.47Å; F149-G151 PolarHBondContact O-N 3.27Å; F149-A152 HydrophobicContact CB-CB 4.28Å; F149-A152 VanDerWaalsContact O-CB 3.26Å; F149-A152 WeakPolarHBondContact O-CB 3.45Å; F149-A152 PolarHBondContact O-N 3.3Å
150	Q	94	Very high	96	Very high	173 Å²	173	46.5 Å²	46.5	81%	0.808	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.3	177.9	-68.8	177	-11.1	0	0	112.4	A152 E153	Q150-A152 PolarHBondContact O-N 3.1Å; Q150-A152 VanDerWaalsContact O-N 3.16Å; Q150-E153 PolarHBondContact O-N 2.97Å
151	G	93.1	Very high	96.1	Very high	50 Å²	50	43.4 Å²	43.4	52%	0.515	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.9	176.8	0	0	0	0	0	114.9	F149 E153 Y155	F149-G151 PolarHBondContact O-N 3.27Å; G151-E153 VanDerWaalsContact C-N 3.31Å; G151-Y155 WeakPolarHBondContact O-CD2 2.9Å
152	A	95.8	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-76	-17.6	178.8	0	0	0	0	0	113.6	F100 I145 F149 Q150 W154 Y155 E156	F100-A152 HydrophobicContact CD1-CB 4.43Å; F100-A152 HydrophobicContact CE1-CB 3.91Å; F100-A152 HydrophobicContact CE2-CB 4.49Å; F100-A152 HydrophobicContact CZ-CB 3.91Å; I145-A152 HydrophobicContact CD1-CB 3.51Å; I145-A152 HydrophobicContact CG1-CB 3.52Å; F149-A152 HydrophobicContact CB-CB 4.28Å; F149-A152 VanDerWaalsContact O-CB 3.26Å; F149-A152 WeakPolarHBondContact O-CB 3.45Å; F149-A152 PolarHBondContact O-N 3.3Å; Q150-A152 PolarHBondContact O-N 3.1Å; Q150-A152 VanDerWaalsContact O-N 3.16Å; A152-W154 VanDerWaalsContact C-N 3.3Å; A152-W154 PolarHBondContact O-N 3.46Å; A152-Y155 PolarHBondContact O-N 2.77Å; A152-Y155 VanDerWaalsContact O-N 3.11Å; A152-E156 PolarHBondContact O-N 2.9Å
153	E	96.2	Very high	96.2	Very high	61 Å²	61	43.1 Å²	43.1	29%	0.285	22%	0.216	S	C	.	.	H	α-helix	trans	-52	-47.1	-176.4	-173.9	-171.8	166.6	0	0	112.4	T146 Q150 G151 E156 R157 H170 P171	T146-E153 HydrophobicContact CG2-CB 3.99Å; Q150-E153 PolarHBondContact O-N 2.97Å; G151-E153 VanDerWaalsContact C-N 3.31Å; E153-E156 PolarHBondContact O-N 3.25Å; E153-R157 WeakPolarHBondContact O-CG 3.17Å; E153-R157 PolarHBondContact O-N 3.48Å; E153-R157 VanDerWaalsContact O-N 3.16Å; E153-H170 WeakPolarHBondContact CG-NE2 3.35Å; E153-H170 PolarHBondContact O-NE2 2.94Å; E153-H170 VanDerWaalsContact O-NE2 3.13Å; E153-P171 HydrophobicContact CG-CG 4.18Å
154	W	96.6	Very high	96.2	Very high	164 Å²	164	40.7 Å²	40.7	62%	0.621	21%	0.205	S	C	*	.	H	α-helix	trans	-71.3	-36.4	-177.6	-75.6	50	0	0	0	112.4	A152 R157 E158 L176	A152-W154 VanDerWaalsContact C-N 3.3Å; A152-W154 PolarHBondContact O-N 3.46Å; W154-R157 PolarHBondContact O-N 2.84Å; W154-E158 WeakPolarHBondContact O-CB 3.34Å; W154-E158 PolarHBondContact O-N 3.32Å; W154-L176 HydrophobicContact CE3-CD1 4.39Å; W154-L176 HydrophobicContact CE3-CD2 4.19Å; W154-L176 HydrophobicContact CZ3-CD1 4.47Å
155	Y	97.2	Very high	96.1	Very high	77 Å²	77	40.6 Å²	40.6	30%	0.302	20%	0.204	S	C	.	.	H	α-helix	trans	-70.2	-36.2	177.7	-68.2	-80	0	0	0	111.7	F100 I101 F102 M103 G151 A152 R157 E158 V159	F100-Y155 HydrophobicContact CD1-CD2 4.38Å; F100-Y155 HydrophobicContact CD1-CE2 4.48Å; F100-Y155 AromaticContact CE1-CD2 3.6Å; F100-Y155 HydrophobicContact CE1-CD2 3.6Å; F100-Y155 HydrophobicContact CE1-CE2 4.05Å; F100-Y155 HydrophobicContact CE1-CG 4.24Å; I101-Y155 PolarHBondContact O-OH 3.48Å; F102-Y155 HydrophobicContact CB-CD1 4.46Å; F102-Y155 HydrophobicContact CB-CE1 3.88Å; M103-Y155 WeakPolarHBondContact CE-O 3.09Å; G151-Y155 WeakPolarHBondContact O-CD2 2.9Å; A152-Y155 PolarHBondContact O-N 2.77Å; A152-Y155 VanDerWaalsContact O-N 3.11Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; Y155-E158 PolarHBondContact O-N 3.25Å; Y155-V159 WeakPolarHBondContact O-CB 3.2Å; Y155-V159 WeakPolarHBondContact O-CG2 3.37Å; Y155-V159 PolarHBondContact O-N 3Å
156	E	96.9	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-39.9	175.5	-73	-175.7	-156.5	0	0	111.1	M103 S144 I145 A152 E153 V159 Y160 F167 H170	M103-E156 HydrophobicContact CE-CB 4Å; M103-E156 HydrophobicContact CE-CG 3.44Å; M103-E156 VanDerWaalsContact CE-CG 3.44Å; M103-E156 HydrophobicContact SD-CG 4.13Å; S144-E156 WeakPolarHBondContact CA-OE2 3.42Å; S144-E156 WeakPolarHBondContact CB-OE2 3.15Å; S144-E156 VanDerWaalsContact OG-CD 3.27Å; S144-E156 PolarHBondContact OG-OE1 3.47Å; S144-E156 PolarHBondContact OG-OE2 3.4Å; I145-E156 WeakPolarHBondContact CG1-OE1 3.33Å; I145-E156 PolarHBondContact N-OE1 3.43Å; A152-E156 PolarHBondContact O-N 2.9Å; E153-E156 PolarHBondContact O-N 3.25Å; E156-V159 PolarHBondContact O-N 2.96Å; E156-Y160 WeakPolarHBondContact O-CB 3.3Å; E156-Y160 PolarHBondContact O-N 3.22Å; E156-F167 HydrophobicContact CB-CD2 3.79Å; E156-F167 HydrophobicContact CB-CE2 3.93Å; E156-F167 HydrophobicContact CB-CG 4.13Å; E156-F167 HydrophobicContact CB-CZ 4.38Å; E156-F167 HydrophobicContact CG-CD1 4.05Å; E156-F167 HydrophobicContact CG-CD2 4.15Å; E156-F167 HydrophobicContact CG-CE1 4.03Å; E156-F167 HydrophobicContact CG-CE2 4.14Å; E156-F167 HydrophobicContact CG-CG 4.11Å; E156-F167 HydrophobicContact CG-CZ 4.08Å; E156-F167 WeakPolarHBondContact O-CE2 3.34Å; E156-H170 IonicContact OE2-CD2 3.67Å; E156-H170 PolarHBondContact OE2-CD2 2.81Å; E156-H170 VanDerWaalsContact OE2-CD2 3.25Å
157	R	97	Very high	96.1	Very high	14 Å²	14	42.5 Å²	42.5	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-41.6	171.3	-69.1	179.2	64.2	-177.5	-10.9	113.3	E153 W154 Y155 Y160 D161 D172 L173 R174 R175 L176	E153-R157 WeakPolarHBondContact O-CG 3.17Å; E153-R157 PolarHBondContact O-N 3.48Å; E153-R157 VanDerWaalsContact O-N 3.16Å; W154-R157 PolarHBondContact O-N 2.84Å; Y155-R157 VanDerWaalsContact C-N 3.32Å; R157-Y160 PolarHBondContact O-N 2.94Å; R157-D161 WeakPolarHBondContact O-CB 3.12Å; R157-D161 PolarHBondContact O-N 2.86Å; R157-D172 WeakPolarHBondContact CD-O 3Å; R157-D172 PolarHBondContact NE-O 3.27Å; R157-D172 IonicContact NH1-OD2 3.75Å; R157-D172 PolarHBondContact NH1-OD2 3.4Å; R157-L173 HydrophobicContact CG-CD1 4.38Å; R157-R174 PolarHBondContact NE-O 2.78Å; R157-R174 VanDerWaalsContact NE-O 3.1Å; R157-R174 VanDerWaalsContact NH2-CG 3.27Å; R157-R175 PolarHBondContact NH2-O 2.76Å; R157-L176 HydrophobicContact CB-CB 4.34Å; R157-L176 HydrophobicContact CB-CD2 4.37Å
158	E	97.4	Very high	96.2	Very high	74 Å²	74	42.8 Å²	42.8	35%	0.346	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-46.9	175.9	178.2	178.8	-175	0	0	111.2	W154 Y155 Y160 D161 M162 L176 L177	W154-E158 WeakPolarHBondContact O-CB 3.34Å; W154-E158 PolarHBondContact O-N 3.32Å; Y155-E158 PolarHBondContact O-N 3.25Å; E158-Y160 VanDerWaalsContact C-N 3.33Å; E158-Y160 PolarHBondContact O-N 2.92Å; E158-D161 PolarHBondContact O-N 2.73Å; E158-M162 HydrophobicContact CG-CG 4.24Å; E158-M162 WeakPolarHBondContact O-CB 3.25Å; E158-M162 WeakPolarHBondContact O-CG 3.46Å; E158-M162 PolarHBondContact O-N 2.93Å; E158-L176 HydrophobicContact CB-CD2 4.48Å; E158-L177 HydrophobicContact CG-CD1 3.85Å
159	V	97.1	Very high	96.1	Very high	3 Å²	3	46 Å²	46	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-38.8	178.9	169.6	0	0	0	0	111.1	M103 A105 Y155 E156 F163 G164 V165 F167	M103-V159 HydrophobicContact CE-CB 4.06Å; M103-V159 HydrophobicContact CE-CG2 3.67Å; M103-V159 HydrophobicContact CG-CG2 4.49Å; A105-V159 HydrophobicContact CB-CG1 3.75Å; A105-V159 HydrophobicContact CB-CG2 4.34Å; Y155-V159 WeakPolarHBondContact O-CB 3.2Å; Y155-V159 WeakPolarHBondContact O-CG2 3.37Å; Y155-V159 PolarHBondContact O-N 3Å; E156-V159 PolarHBondContact O-N 2.96Å; V159-F163 HydrophobicContact CG1-CD2 4.45Å; V159-F163 WeakPolarHBondContact O-CB 3.36Å; V159-F163 PolarHBondContact O-N 2.86Å; V159-G164 PolarHBondContact O-N 3.34Å; V159-V165 HydrophobicContact CG1-CB 3.99Å; V159-V165 HydrophobicContact CG1-CG2 4.25Å; V159-F167 HydrophobicContact CB-CE2 4.01Å; V159-F167 HydrophobicContact CB-CZ 4.21Å; V159-F167 HydrophobicContact CG1-CE2 3.89Å; V159-F167 HydrophobicContact CG1-CZ 3.89Å
160	Y	96.9	Very high	96.1	Very high	60 Å²	60	46.6 Å²	46.6	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-47.3	171.8	168.9	-102.6	0	0	0	112	E156 R157 E158 G164 V165 T166 L173 R175 H185	E156-Y160 WeakPolarHBondContact O-CB 3.3Å; E156-Y160 PolarHBondContact O-N 3.22Å; R157-Y160 PolarHBondContact O-N 2.94Å; E158-Y160 VanDerWaalsContact C-N 3.33Å; E158-Y160 PolarHBondContact O-N 2.92Å; Y160-G164 WeakPolarHBondContact O-CA 3.24Å; Y160-G164 PolarHBondContact O-N 2.8Å; Y160-V165 WeakPolarHBondContact CA-O 3.44Å; Y160-V165 WeakPolarHBondContact CB-O 3.26Å; Y160-V165 WeakPolarHBondContact CD2-O 2.89Å; Y160-T166 HydrophobicContact CD2-CG2 4.33Å; Y160-T166 HydrophobicContact CE2-CG2 4.21Å; Y160-L173 HydrophobicContact CD1-CG 4.24Å; Y160-L173 HydrophobicContact CD2-CD2 3.91Å; Y160-L173 HydrophobicContact CD2-CG 4.18Å; Y160-L173 HydrophobicContact CE2-CD2 4.33Å; Y160-L173 HydrophobicContact CG-CD1 4.07Å; Y160-L173 HydrophobicContact CG-CD2 4.18Å; Y160-L173 HydrophobicContact CG-CG 3.96Å; Y160-R175 HydrophobicContact CE1-CG 4.32Å; Y160-H185 PolarHBondContact O-CE1 2.68Å; Y160-H185 VanDerWaalsContact O-CE1 3.27Å; Y160-H185 PolarHBondContact O-ND1 3.33Å
161	D	97.2	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-44.5	-177.9	-162.8	10.5	0	0	0	112.2	R157 E158 L176 L177 T178 H185	R157-D161 WeakPolarHBondContact O-CB 3.12Å; R157-D161 PolarHBondContact O-N 2.86Å; E158-D161 PolarHBondContact O-N 2.73Å; D161-L176 PolarHBondContact OD2-N 3.17Å; D161-L177 WeakPolarHBondContact OD2-CA 3.29Å; D161-L177 PolarHBondContact OD2-N 2.71Å; D161-T178 WeakPolarHBondContact OD1-CB 3.26Å; D161-T178 WeakPolarHBondContact OD1-CG2 3.13Å; D161-T178 PolarHBondContact OD1-OG1 3.05Å; D161-T178 PolarHBondContact OD2-N 3Å; D161-T178 PolarHBondContact OD2-OG1 3.33Å; D161-H185 PolarHBondContact O-ND1 2.98Å
162	M	97.2	Very high	96.3	Very high	23 Å²	23	43.2 Å²	43.2	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-80.3	-34.8	-174	-67.7	-58.7	96.9	0	0	114.2	E158 L177 T178 H185 P186 M187	E158-M162 HydrophobicContact CG-CG 4.24Å; E158-M162 WeakPolarHBondContact O-CB 3.25Å; E158-M162 WeakPolarHBondContact O-CG 3.46Å; E158-M162 PolarHBondContact O-N 2.93Å; M162-L177 HydrophobicContact CE-CB 3.84Å; M162-L177 HydrophobicContact CE-CD1 4.15Å; M162-L177 HydrophobicContact CG-CD1 4.08Å; M162-L177 HydrophobicContact SD-CD1 4.07Å; M162-T178 HydrophobicContact CE-CG2 3.53Å; M162-H185 CarbonylContact O-C 3.4Å; M162-H185 WeakPolarHBondContact O-CB 3.24Å; M162-P186 HydrophobicContact CE-CG 4.02Å; M162-P186 HydrophobicContact SD-CB 4.41Å; M162-P186 HydrophobicContact SD-CG 4.34Å; M162-M187 HydrophobicContact CB-CB 4.02Å; M162-M187 HydrophobicContact CB-CG 3.89Å; M162-M187 HydrophobicContact CG-CG 4.17Å; M162-M187 WeakPolarHBondContact O-CB 3.48Å; M162-M187 PolarHBondContact O-N 3.3Å; M162-M187 HydrophobicContact SD-CG 3.95Å
163	F	96.6	Very high	96.3	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.088	24%	0.241	C	C	.	.	H	α-helix	trans	-119.1	-19.8	-174.2	-63.2	-87.7	0	0	0	113.7	A105 D107 F115 V159 V165 M187 R188	A105-F163 HydrophobicContact CB-CB 4.41Å; A105-F163 HydrophobicContact CB-CD1 4.24Å; A105-F163 HydrophobicContact CB-CD2 3.65Å; A105-F163 HydrophobicContact CB-CE1 4.45Å; A105-F163 HydrophobicContact CB-CE2 3.87Å; A105-F163 HydrophobicContact CB-CG 3.84Å; A105-F163 HydrophobicContact CB-CZ 4.27Å; A105-F163 WeakPolarHBondContact O-CE2 3.4Å; A105-F163 WeakPolarHBondContact O-CZ 3.31Å; D107-F163 HydrophobicContact CB-CD1 4.14Å; D107-F163 HydrophobicContact CB-CE1 4.08Å; F115-F163 HydrophobicContact CD1-CB 4.36Å; F115-F163 HydrophobicContact CD1-CD1 4.2Å; F115-F163 HydrophobicContact CE1-CB 4.17Å; F115-F163 HydrophobicContact CE1-CD1 4.14Å; F115-F163 VanDerWaalsContact CZ-O 3.29Å; F115-F163 WeakPolarHBondContact CZ-O 3.48Å; V159-F163 HydrophobicContact CG1-CD2 4.45Å; V159-F163 WeakPolarHBondContact O-CB 3.36Å; V159-F163 PolarHBondContact O-N 2.86Å; F163-V165 HydrophobicContact CB-CG2 4.28Å; F163-M187 HydrophobicContact CD1-CB 4.21Å; F163-M187 HydrophobicContact CD2-CB 4.47Å; F163-M187 HydrophobicContact CE1-CB 3.72Å; F163-M187 HydrophobicContact CE2-CB 4.02Å; F163-M187 HydrophobicContact CZ-CB 3.62Å; F163-M187 HydrophobicContact CZ-CG 4.43Å; F163-R188 PolarHBondContact O-NE 2.81Å; F163-R188 PolarHBondContact O-NH2 2.77Å
164	G	95.4	Very high	96.2	Very high	6 Å²	6	49.3 Å²	49.3	6%	0.062	25%	0.252	C	S	.	.			trans	79.5	19.7	-177.8	0	0	0	0	0	114.4	V159 Y160 H185	V159-G164 PolarHBondContact O-N 3.34Å; Y160-G164 WeakPolarHBondContact O-CA 3.24Å; Y160-G164 PolarHBondContact O-N 2.8Å; G164-H185 WeakPolarHBondContact CA-CE1 3.18Å; G164-H185 WeakPolarHBondContact CA-ND1 3.49Å; G164-H185 VanDerWaalsContact CA-NE2 3.29Å; G164-H185 WeakPolarHBondContact CA-NE2 3.43Å; G164-H185 PolarHBondContact N-ND1 3.27Å
165	V	96	Very high	96.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	24%	0.237	C	C	.	.			trans	-76.8	130.1	172.6	177.1	0	0	0	0	109.2	F115 I117 T136 V159 Y160 F163 F167	F115-V165 HydrophobicContact CB-CG2 4.07Å; F115-V165 HydrophobicContact CD2-CG2 3.64Å; F115-V165 HydrophobicContact CE2-CG2 4.24Å; F115-V165 HydrophobicContact CG-CG2 3.88Å; I117-V165 HydrophobicContact CD1-CG1 3.9Å; T136-V165 HydrophobicContact CG2-CG1 3.88Å; T136-V165 HydrophobicContact CG2-CG2 3.98Å; V159-V165 HydrophobicContact CG1-CB 3.99Å; V159-V165 HydrophobicContact CG1-CG2 4.25Å; Y160-V165 WeakPolarHBondContact CA-O 3.44Å; Y160-V165 WeakPolarHBondContact CB-O 3.26Å; Y160-V165 WeakPolarHBondContact CD2-O 2.89Å; F163-V165 HydrophobicContact CB-CG2 4.28Å; V165-F167 HydrophobicContact CG1-CE2 4.26Å; V165-F167 HydrophobicContact CG1-CZ 4.18Å
166	T	95.6	Very high	96.1	Very high	51 Å²	51	44.5 Å²	44.5	31%	0.313	24%	0.237	S	C	.	.			trans	-94.6	140.1	178.8	52.4	0	0	0	0	111.2	P141 I142 Y160	P141-T166 VanDerWaalsContact CA-O 3.3Å; P141-T166 WeakPolarHBondContact CA-O 3.35Å; P141-T166 WeakPolarHBondContact CB-OG1 3.46Å; I142-T166 PolarHBondContact N-O 3.24Å; Y160-T166 HydrophobicContact CD2-CG2 4.33Å; Y160-T166 HydrophobicContact CE2-CG2 4.21Å
167	F	96.6	Very high	96.1	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.048	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.8	179.9	-66.8	-84.3	0	0	0	111.5	M103 I117 I142 E156 V159 V165 H170 L173	M103-F167 HydrophobicContact CE-CE1 4.44Å; M103-F167 HydrophobicContact CE-CE2 4.36Å; M103-F167 HydrophobicContact CE-CZ 3.82Å; M103-F167 HydrophobicContact SD-CE1 4.24Å; M103-F167 HydrophobicContact SD-CZ 4.05Å; I117-F167 HydrophobicContact CD1-CE1 4.15Å; I117-F167 HydrophobicContact CD1-CZ 4.13Å; I142-F167 HydrophobicContact CB-CD1 4.32Å; I142-F167 HydrophobicContact CB-CE1 4.42Å; I142-F167 HydrophobicContact CG2-CD1 4.12Å; I142-F167 HydrophobicContact CG2-CE1 4.1Å; I142-F167 CarbonylContact O-C 3.51Å; I142-F167 WeakPolarHBondContact O-CA 3.49Å; E156-F167 HydrophobicContact CB-CD2 3.79Å; E156-F167 HydrophobicContact CB-CE2 3.93Å; E156-F167 HydrophobicContact CB-CG 4.13Å; E156-F167 HydrophobicContact CB-CZ 4.38Å; E156-F167 HydrophobicContact CG-CD1 4.05Å; E156-F167 HydrophobicContact CG-CD2 4.15Å; E156-F167 HydrophobicContact CG-CE1 4.03Å; E156-F167 HydrophobicContact CG-CE2 4.14Å; E156-F167 HydrophobicContact CG-CG 4.11Å; E156-F167 HydrophobicContact CG-CZ 4.08Å; E156-F167 WeakPolarHBondContact O-CE2 3.34Å; V159-F167 HydrophobicContact CB-CE2 4.01Å; V159-F167 HydrophobicContact CB-CZ 4.21Å; V159-F167 HydrophobicContact CG1-CE2 3.89Å; V159-F167 HydrophobicContact CG1-CZ 3.89Å; V165-F167 HydrophobicContact CG1-CE2 4.26Å; V165-F167 HydrophobicContact CG1-CZ 4.18Å; F167-H170 HydrophobicContact CB-CB 4.29Å; F167-L173 HydrophobicContact CD2-CD1 4.26Å
168	L	95.8	Very high	96.1	Very high	92 Å²	92	50.1 Å²	50.1	48%	0.482	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.7	175	-65.6	-178	0	0	0	110.8	P141 I142 S144	P141-L168 HydrophobicContact CB-CD1 4.32Å; P141-L168 HydrophobicContact CB-CD2 3.89Å; P141-L168 HydrophobicContact CB-CG 3.72Å; P141-L168 HydrophobicContact CG-CD1 3.74Å; P141-L168 HydrophobicContact CG-CD2 3.8Å; P141-L168 HydrophobicContact CG-CG 3.67Å; I142-L168 PolarHBondContact O-N 2.65Å; S144-L168 WeakPolarHBondContact CB-O 3.5Å; S144-L168 PolarHBondContact N-O 2.97Å
169	G	93.6	Very high	96.1	Very high	76 Å²	76	51.2 Å²	51.2	78%	0.784	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	7.8	177.3	0	0	0	0	0	115.2
170	H	96	Very high	96	Very high	22 Å²	22	61.9 Å²	61.9	10%	0.102	32%	0.318	C	S	.	.			trans	-71	137.6	174.2	-172.8	-78	0	0	0	111.4	E153 E156 F167 D172 L173	E153-H170 WeakPolarHBondContact CG-NE2 3.35Å; E153-H170 PolarHBondContact O-NE2 2.94Å; E153-H170 VanDerWaalsContact O-NE2 3.13Å; E156-H170 IonicContact OE2-CD2 3.67Å; E156-H170 PolarHBondContact OE2-CD2 2.81Å; E156-H170 VanDerWaalsContact OE2-CD2 3.25Å; F167-H170 HydrophobicContact CB-CB 4.29Å; H170-D172 PolarHBondContact CE1-N 2.84Å; H170-D172 PolarHBondContact CE1-O 3.26Å; H170-D172 PolarHBondContact ND1-N 3.25Å; H170-D172 PolarHBondContact ND1-O 2.85Å; H170-L173 HydrophobicContact CB-CB 4.18Å; H170-L173 HydrophobicContact CB-CD1 4.37Å; H170-L173 WeakPolarHBondContact ND1-CA 3.45Å; H170-L173 PolarHBondContact ND1-N 3.34Å
171	P	96.1	Very high	95.8	Very high	95 Å²	95	62.1 Å²	62.1	62%	0.617	34%	0.339	S	S	*	.	S	Bend	trans	-69.1	-42.6	-176	25.5	-34.4	0	0	0	114.7	E153	E153-P171 HydrophobicContact CG-CG 4.18Å
172	D	95.5	Very high	95.7	Very high	58 Å²	58	64.2 Å²	64.2	31%	0.31	35%	0.348	S	S	.	.	S	Bend	trans	-139.8	74.4	-178.8	179.2	21.1	0	0	0	111.1	R157 H170 R174	R157-D172 WeakPolarHBondContact CD-O 3Å; R157-D172 PolarHBondContact NE-O 3.27Å; R157-D172 IonicContact NH1-OD2 3.75Å; R157-D172 PolarHBondContact NH1-OD2 3.4Å; H170-D172 PolarHBondContact CE1-N 2.84Å; H170-D172 PolarHBondContact CE1-O 3.26Å; H170-D172 PolarHBondContact ND1-N 3.25Å; H170-D172 PolarHBondContact ND1-O 2.85Å; D172-R174 PolarHBondContact O-N 2.88Å; D172-R174 WeakPolarHBondContact OD1-CD 3.42Å; D172-R174 IonicContact OD1-NE 2.91Å; D172-R174 PolarHBondContact OD1-NE 2.93Å; D172-R174 IonicContact OD2-CZ 3.17Å; D172-R174 VanDerWaalsContact OD2-CZ 3.31Å; D172-R174 IonicContact OD2-NE 3.91Å; D172-R174 PolarHBondContact OD2-NE 2.78Å; D172-R174 IonicContact OD2-NH2 2.89Å; D172-R174 PolarHBondContact OD2-NH2 2.88Å
173	L	95.2	Very high	95.5	Very high	51 Å²	51	71.1 Å²	71.1	27%	0.267	38%	0.38	S	S	.	.			trans	-83.1	99.6	-178.6	-165.2	71.4	0	0	0	110.4	R157 Y160 F167 H170	R157-L173 HydrophobicContact CG-CD1 4.38Å; Y160-L173 HydrophobicContact CD1-CG 4.24Å; Y160-L173 HydrophobicContact CD2-CD2 3.91Å; Y160-L173 HydrophobicContact CD2-CG 4.18Å; Y160-L173 HydrophobicContact CE2-CD2 4.33Å; Y160-L173 HydrophobicContact CG-CD1 4.07Å; Y160-L173 HydrophobicContact CG-CD2 4.18Å; Y160-L173 HydrophobicContact CG-CG 3.96Å; F167-L173 HydrophobicContact CD2-CD1 4.26Å; H170-L173 HydrophobicContact CB-CB 4.18Å; H170-L173 HydrophobicContact CB-CD1 4.37Å; H170-L173 WeakPolarHBondContact ND1-CA 3.45Å; H170-L173 PolarHBondContact ND1-N 3.34Å
174	R	95.5	Very high	95.4	Very high	137 Å²	137	71.7 Å²	71.7	52%	0.517	39%	0.392	S	S	.	.			trans	-147.7	166.6	174.6	64.7	-179.5	165	126.3	-0.8	110.3	R157 D172	R157-R174 PolarHBondContact NE-O 2.78Å; R157-R174 VanDerWaalsContact NE-O 3.1Å; R157-R174 VanDerWaalsContact NH2-CG 3.27Å; D172-R174 PolarHBondContact O-N 2.88Å; D172-R174 WeakPolarHBondContact OD1-CD 3.42Å; D172-R174 IonicContact OD1-NE 2.91Å; D172-R174 PolarHBondContact OD1-NE 2.93Å; D172-R174 IonicContact OD2-CZ 3.17Å; D172-R174 VanDerWaalsContact OD2-CZ 3.31Å; D172-R174 IonicContact OD2-NE 3.91Å; D172-R174 PolarHBondContact OD2-NE 2.78Å; D172-R174 IonicContact OD2-NH2 2.89Å; D172-R174 PolarHBondContact OD2-NH2 2.88Å
175	R	95.3	Very high	95.5	Very high	83 Å²	83	73.3 Å²	73.3	31%	0.313	40%	0.398	S	S	.	.			trans	-53.3	152.1	175.6	-60.8	167.4	-178	-124.7	16.2	111.8	R157 Y160 T178 F182	R157-R175 PolarHBondContact NH2-O 2.76Å; Y160-R175 HydrophobicContact CE1-CG 4.32Å; R175-T178 PolarHBondContact NH1-OG1 2.61Å; R175-F182 PolarHBondContact NH1-O 2.74Å; R175-F182 PolarHBondContact NH2-O 2.69Å
176	L	95.8	Very high	95.5	Very high	57 Å²	57	75.1 Å²	75.1	30%	0.298	41%	0.409	S	S	.	.	S	Bend	trans	-134.7	-42	-173.3	-178.1	64.4	0	0	0	112.4	W154 R157 E158 D161	W154-L176 HydrophobicContact CE3-CD1 4.39Å; W154-L176 HydrophobicContact CE3-CD2 4.19Å; W154-L176 HydrophobicContact CZ3-CD1 4.47Å; R157-L176 HydrophobicContact CB-CB 4.34Å; R157-L176 HydrophobicContact CB-CD2 4.37Å; E158-L176 HydrophobicContact CB-CD2 4.48Å; D161-L176 PolarHBondContact OD2-N 3.17Å
177	L	97.1	Very high	95.6	Very high	104 Å²	104	77.3 Å²	77.3	55%	0.545	42%	0.417	S	S	.	.	S	Bend	trans	-105.6	-32.5	-174.2	-59.1	-179.7	0	0	0	112.7	E158 D161 M162	E158-L177 HydrophobicContact CG-CD1 3.85Å; D161-L177 WeakPolarHBondContact OD2-CA 3.29Å; D161-L177 PolarHBondContact OD2-N 2.71Å; M162-L177 HydrophobicContact CE-CB 3.84Å; M162-L177 HydrophobicContact CE-CD1 4.15Å; M162-L177 HydrophobicContact CG-CD1 4.08Å; M162-L177 HydrophobicContact SD-CD1 4.07Å
178	T	96.2	Very high	95.5	Very high	28 Å²	28	78.6 Å²	78.6	17%	0.172	42%	0.422	C	S	.	.	S	Bend	trans	-79.1	161.6	-179.1	62.4	0	0	0	0	112.7	D161 M162 R175 F182 P186	D161-T178 WeakPolarHBondContact OD1-CB 3.26Å; D161-T178 WeakPolarHBondContact OD1-CG2 3.13Å; D161-T178 PolarHBondContact OD1-OG1 3.05Å; D161-T178 PolarHBondContact OD2-N 3Å; D161-T178 PolarHBondContact OD2-OG1 3.33Å; M162-T178 HydrophobicContact CE-CG2 3.53Å; R175-T178 PolarHBondContact NH1-OG1 2.61Å; T178-F182 HydrophobicContact CG2-CD1 3.72Å; T178-F182 HydrophobicContact CG2-CE1 4.06Å; T178-F182 HydrophobicContact CG2-CG 4.21Å; T178-P186 HydrophobicContact CG2-CG 3.84Å
179	D	96.7	Very high	95.5	Very high	98 Å²	98	80.9 Å²	80.9	52%	0.524	43%	0.428	S	S	.	.			trans	-62.6	153.8	171.8	-171.5	21.4	0	0	0	111.2	G181 F182	D179-G181 VanDerWaalsContact C-N 3.25Å; D179-G181 PolarHBondContact O-N 2.87Å; D179-F182 HydrophobicContact CB-CB 4.34Å; D179-F182 VanDerWaalsContact O-CB 3.24Å; D179-F182 WeakPolarHBondContact O-CB 3.37Å; D179-F182 PolarHBondContact O-N 3.47Å
180	Y	95.8	Very high	95.6	Very high	226 Å²	226	82 Å²	82	89%	0.886	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36	-171.9	-64.1	-76.4	0	0	0	113.4
181	G	93.2	Very high	95.6	Very high	65 Å²	65	82.7 Å²	82.7	67%	0.67	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	14.4	179.5	0	0	0	0	0	114.3	D179	D179-G181 VanDerWaalsContact C-N 3.25Å; D179-G181 PolarHBondContact O-N 2.87Å
182	F	94.9	Very high	95.6	Very high	45 Å²	45	80.3 Å²	80.3	20%	0.197	40%	0.404	C	S	.	.			trans	-63.3	145	-176.7	-172.3	-99.6	0	0	0	111.1	R175 T178 D179 G184 P186 F191	R175-F182 PolarHBondContact NH1-O 2.74Å; R175-F182 PolarHBondContact NH2-O 2.69Å; T178-F182 HydrophobicContact CG2-CD1 3.72Å; T178-F182 HydrophobicContact CG2-CE1 4.06Å; T178-F182 HydrophobicContact CG2-CG 4.21Å; D179-F182 HydrophobicContact CB-CB 4.34Å; D179-F182 VanDerWaalsContact O-CB 3.24Å; D179-F182 WeakPolarHBondContact O-CB 3.37Å; D179-F182 PolarHBondContact O-N 3.47Å; F182-G184 WeakPolarHBondContact CD1-O 3.24Å; F182-G184 WeakPolarHBondContact CE1-O 3.13Å; F182-P186 HydrophobicContact CE1-CG 3.62Å; F182-P186 HydrophobicContact CZ-CG 3.86Å; F182-F191 HydrophobicContact CE1-CE2 4.38Å; F182-F191 HydrophobicContact CE1-CZ 4.2Å; F182-F191 HydrophobicContact CE2-CZ 4.4Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; F182-F191 HydrophobicContact CZ-CE2 4.1Å; F182-F191 AromaticContact CZ-CZ 3.5Å; F182-F191 HydrophobicContact CZ-CZ 3.5Å
183	E	93.6	Very high	95.5	Very high	167 Å²	167	84.3 Å²	84.3	78%	0.78	42%	0.424	S	S	*	.			trans	-118	126.3	176	-67.8	-174.8	174	0	0	109.9
184	G	94	Very high	95.5	Very high	33 Å²	33	85 Å²	85	34%	0.34	43%	0.43	S	S	.	.	S	Bend	trans	101.5	-179.2	-177.6	0	0	0	0	0	114.5	F182	F182-G184 WeakPolarHBondContact CD1-O 3.24Å; F182-G184 WeakPolarHBondContact CE1-O 3.13Å
185	H	96.5	Very high	95.4	Very high	40 Å²	40	79 Å²	79	19%	0.185	41%	0.411	C	S	.	.			trans	-125.7	105.4	-173.3	-68.7	-62.2	0	0	0	109.6	Y160 D161 M162 G164 M187 R188	Y160-H185 PolarHBondContact O-CE1 2.68Å; Y160-H185 VanDerWaalsContact O-CE1 3.27Å; Y160-H185 PolarHBondContact O-ND1 3.33Å; D161-H185 PolarHBondContact O-ND1 2.98Å; M162-H185 CarbonylContact O-C 3.4Å; M162-H185 WeakPolarHBondContact O-CB 3.24Å; G164-H185 WeakPolarHBondContact CA-CE1 3.18Å; G164-H185 WeakPolarHBondContact CA-ND1 3.49Å; G164-H185 VanDerWaalsContact CA-NE2 3.29Å; G164-H185 WeakPolarHBondContact CA-NE2 3.43Å; G164-H185 PolarHBondContact N-ND1 3.27Å; H185-M187 VanDerWaalsContact C-N 3.33Å; H185-M187 PolarHBondContact O-N 3.01Å; H185-R188 HydrophobicContact CB-CG 3.8Å; H185-R188 PolarHBondContact O-N 3.41Å
186	P	96.6	Very high	95.4	Very high	38 Å²	38	81.7 Å²	81.7	25%	0.247	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.8	-164.6	-27.3	34.1	0	0	0	116.3	M162 T178 F182 R188 F191	M162-P186 HydrophobicContact CE-CG 4.02Å; M162-P186 HydrophobicContact SD-CB 4.41Å; M162-P186 HydrophobicContact SD-CG 4.34Å; T178-P186 HydrophobicContact CG2-CG 3.84Å; F182-P186 HydrophobicContact CE1-CG 3.62Å; F182-P186 HydrophobicContact CZ-CG 3.86Å; P186-R188 VanDerWaalsContact C-N 3.33Å; P186-F191 HydrophobicContact CB-CD1 4.44Å; P186-F191 HydrophobicContact CB-CE1 4.5Å
187	M	96.8	Very high	95.4	Very high	98 Å²	98	82.7 Å²	82.7	48%	0.483	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.3	-172.8	-69.3	-66.2	-71.5	0	0	113.5	M162 F163 H185	M162-M187 HydrophobicContact CB-CB 4.02Å; M162-M187 HydrophobicContact CB-CG 3.89Å; M162-M187 HydrophobicContact CG-CG 4.17Å; M162-M187 WeakPolarHBondContact O-CB 3.48Å; M162-M187 PolarHBondContact O-N 3.3Å; M162-M187 HydrophobicContact SD-CG 3.95Å; F163-M187 HydrophobicContact CD1-CB 4.21Å; F163-M187 HydrophobicContact CD2-CB 4.47Å; F163-M187 HydrophobicContact CE1-CB 3.72Å; F163-M187 HydrophobicContact CE2-CB 4.02Å; F163-M187 HydrophobicContact CZ-CB 3.62Å; F163-M187 HydrophobicContact CZ-CG 4.43Å; H185-M187 VanDerWaalsContact C-N 3.33Å; H185-M187 PolarHBondContact O-N 3.01Å
188	R	95.9	Very high	95.3	Very high	38 Å²	38	80.6 Å²	80.6	14%	0.143	42%	0.418	C	S	.	.	S	Bend	trans	-69	139.5	168.6	-62.1	-171.1	176	-161.4	-4.6	110.2	D107 F115 E138 F163 H185 P186 D190 F191	D107-R188 VanDerWaalsContact OD2-CA 3.27Å; D107-R188 WeakPolarHBondContact OD2-CA 3.41Å; F115-R188 HydrophobicContact CE1-CG 4.31Å; F115-R188 HydrophobicContact CZ-CG 4.28Å; E138-R188 IonicContact OE1-NH1 3.43Å; E138-R188 IonicContact OE2-CZ 3.75Å; E138-R188 IonicContact OE2-NH1 2.8Å; E138-R188 PolarHBondContact OE2-NH1 2.64Å; E138-R188 IonicContact OE2-NH2 3.2Å; F163-R188 PolarHBondContact O-NE 2.81Å; F163-R188 PolarHBondContact O-NH2 2.77Å; H185-R188 HydrophobicContact CB-CG 3.8Å; H185-R188 PolarHBondContact O-N 3.41Å; P186-R188 VanDerWaalsContact C-N 3.33Å; R188-D190 WeakPolarHBondContact CB-OD1 3.48Å; R188-D190 PolarHBondContact O-N 3.1Å; R188-F191 WeakPolarHBondContact O-CB 3.29Å; R188-F191 PolarHBondContact O-N 2.81Å
189	K	95.3	Very high	95.3	Very high	140 Å²	140	83.6 Å²	83.6	61%	0.609	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-15.2	-173	-62.4	-54.7	-178.5	-168	0	114.9	D107 P109	D107-K189 HydrophobicContact CB-CG 4.11Å; D107-K189 PolarHBondContact OD2-N 3.37Å; P109-K189 HydrophobicContact CG-CB 4.35Å
190	D	95.5	Very high	95.2	Very high	100 Å²	100	83.7 Å²	83.7	54%	0.535	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.6	172.2	50	-9	0	0	0	113	R114 R188	R114-D190 IonicContact CZ-OD1 2.73Å; R114-D190 IonicContact CZ-OD2 2.76Å; R114-D190 IonicContact NH1-OD1 3.51Å; R114-D190 IonicContact NH1-OD2 3.27Å; R114-D190 PolarHBondContact NH1-OD2 3.41Å; R114-D190 IonicContact NH2-OD1 3.54Å; R114-D190 PolarHBondContact NH2-OD1 3.48Å; R114-D190 IonicContact NH2-OD2 3.94Å; R114-D190 PolarHBondContact NH2-OD2 2.99Å; R188-D190 WeakPolarHBondContact CB-OD1 3.48Å; R188-D190 PolarHBondContact O-N 3.1Å
191	F	96.1	Very high	95.3	Very high	35 Å²	35	79.1 Å²	79.1	15%	0.154	41%	0.411	C	S	.	.	S	Bend	trans	-75.6	130.6	179.2	-165.1	-90.3	0	0	0	111.2	F182 P186 R188 Y196	F182-F191 HydrophobicContact CE1-CE2 4.38Å; F182-F191 HydrophobicContact CE1-CZ 4.2Å; F182-F191 HydrophobicContact CE2-CZ 4.4Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; F182-F191 HydrophobicContact CZ-CE2 4.1Å; F182-F191 AromaticContact CZ-CZ 3.5Å; F182-F191 HydrophobicContact CZ-CZ 3.5Å; P186-F191 HydrophobicContact CB-CD1 4.44Å; P186-F191 HydrophobicContact CB-CE1 4.5Å; R188-F191 WeakPolarHBondContact O-CB 3.29Å; R188-F191 PolarHBondContact O-N 2.81Å; F191-Y196 AromaticContact CD2-CE2 3.89Å; F191-Y196 HydrophobicContact CD2-CE2 3.89Å; F191-Y196 AromaticContact CE2-CD2 3.82Å; F191-Y196 HydrophobicContact CE2-CD2 3.82Å; F191-Y196 AromaticContact CE2-CE2 3.48Å; F191-Y196 HydrophobicContact CE2-CE2 3.48Å; F191-Y196 VanDerWaalsContact CE2-CE2 3.48Å; F191-Y196 HydrophobicContact CZ-CD2 4.11Å; F191-Y196 HydrophobicContact CZ-CE2 4.13Å
192	P	95.9	Very high	95.5	Very high	46 Å²	46	77.1 Å²	77.1	30%	0.299	39%	0.385	S	S	.	.			trans	-69.8	140.3	179.7	28.5	-34.1	0	0	0	110.9	V194 G195 Y196	P192-V194 PolarHBondContact O-N 3.23Å; P192-G195 PolarHBondContact O-N 3.19Å; P192-Y196 VanDerWaalsContact CD-CZ 3.49Å; P192-Y196 WeakPolarHBondContact CD-OH 3.48Å; P192-Y196 HydrophobicContact CG-CD1 4.18Å; P192-Y196 HydrophobicContact CG-CE1 3.72Å; P192-Y196 HydrophobicContact CG-CE2 4.18Å
193	L	94.2	Very high	95.6	Very high	141 Å²	141	81 Å²	81	74%	0.738	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.5	-178.5	178	62.8	0	0	0	113.6	F219	L193-F219 HydrophobicContact CD2-CD1 4.48Å; L193-F219 HydrophobicContact CD2-CD2 3.97Å; L193-F219 HydrophobicContact CD2-CE1 4.29Å; L193-F219 HydrophobicContact CD2-CE2 3.75Å; L193-F219 HydrophobicContact CD2-CG 4.33Å; L193-F219 HydrophobicContact CD2-CZ 3.92Å
194	V	94	Very high	95.7	Very high	65 Å²	65	81.6 Å²	81.6	39%	0.394	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.8	-175.9	-155.5	0	0	0	0	112	P192 I213 L215	P192-V194 PolarHBondContact O-N 3.23Å; V194-I213 HydrophobicContact CB-CD1 4.12Å; V194-I213 HydrophobicContact CG1-CD1 3.2Å; V194-I213 HydrophobicContact CG1-CG1 4.06Å; V194-L215 HydrophobicContact CB-CD1 4.48Å; V194-L215 HydrophobicContact CG1-CD1 3.79Å; V194-L215 HydrophobicContact CG1-CD2 3.94Å; V194-L215 HydrophobicContact CG1-CG 4.15Å; V194-L215 HydrophobicContact CG2-CD1 3.94Å
195	G	94.3	Very high	95.9	Very high	11 Å²	11	84.5 Å²	84.5	11%	0.113	42%	0.418	C	S	.	.			trans	78.3	-173.1	-167.7	0	0	0	0	0	113.3	P192	P192-G195 PolarHBondContact O-N 3.19Å
196	Y	94.9	Very high	95.8	Very high	140 Å²	140	92.2 Å²	92.2	55%	0.549	45%	0.446	S	S	.	.	S	Bend	trans	-102.5	-24.9	-176.2	-60.9	-70.7	0	0	0	113.4	F191 P192 P212 I213	F191-Y196 AromaticContact CD2-CE2 3.89Å; F191-Y196 HydrophobicContact CD2-CE2 3.89Å; F191-Y196 AromaticContact CE2-CD2 3.82Å; F191-Y196 HydrophobicContact CE2-CD2 3.82Å; F191-Y196 AromaticContact CE2-CE2 3.48Å; F191-Y196 HydrophobicContact CE2-CE2 3.48Å; F191-Y196 VanDerWaalsContact CE2-CE2 3.48Å; F191-Y196 HydrophobicContact CZ-CD2 4.11Å; F191-Y196 HydrophobicContact CZ-CE2 4.13Å; P192-Y196 VanDerWaalsContact CD-CZ 3.49Å; P192-Y196 WeakPolarHBondContact CD-OH 3.48Å; P192-Y196 HydrophobicContact CG-CD1 4.18Å; P192-Y196 HydrophobicContact CG-CE1 3.72Å; P192-Y196 HydrophobicContact CG-CE2 4.18Å; Y196-P212 WeakPolarHBondContact O-CA 3.33Å; Y196-I213 PolarHBondContact O-N 3.46Å
197	T	95.3	Very high	95.8	Very high	79 Å²	79	97.7 Å²	97.7	49%	0.485	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.3	-172.7	57	0	0	0	0	111.1	E211	T197-E211 CarbonylContact C-O 3.49Å; T197-E211 WeakPolarHBondContact CA-O 3.19Å
198	E	95.3	Very high	95.8	Very high	59 Å²	59	97.4 Å²	97.4	28%	0.276	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	166.3	166.5	68.7	-176.5	-153.8	0	0	110.6	S210 E211 I213 Q214	E198-S210 CarbonylContact O-C 3.59Å; E198-S210 WeakPolarHBondContact O-CA 3.15Å; E198-E211 PolarHBondContact N-O 2.75Å; E198-E211 PolarHBondContact O-N 3.28Å; E198-I213 HydrophobicContact CB-CD1 4.19Å; E198-I213 HydrophobicContact CB-CG1 4.27Å; E198-Q214 PolarHBondContact OE2-N 3.26Å
199	V	96.1	Very high	95.8	Very high	91 Å²	91	96.7 Å²	96.7	55%	0.552	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	127.4	-173.8	178.6	0	0	0	0	109.4	V208 I209	V199-V208 HydrophobicContact CB-CG1 4.48Å; V199-V208 HydrophobicContact CG1-CB 4.49Å; V199-V208 HydrophobicContact CG1-CG1 2.99Å; V199-I209 WeakPolarHBondContact CA-O 3.44Å
200	R	95.6	Very high	95.8	Very high	101 Å²	101	93.9 Å²	93.9	38%	0.381	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155	173.5	69.9	173.3	-175.6	82.5	0	111.9	D202 I209 E211	R200-D202 IonicContact NH1-OD1 2.71Å; R200-I209 HydrophobicContact CG-CD1 4.41Å; R200-I209 HydrophobicContact CG-CG1 4Å; R200-I209 PolarHBondContact N-O 3.2Å; R200-I209 PolarHBondContact O-N 2.63Å; R200-E211 WeakPolarHBondContact CD-OE2 3.47Å; R200-E211 IonicContact CZ-OE1 3.85Å; R200-E211 IonicContact CZ-OE2 3.29Å; R200-E211 IonicContact NE-OE1 3.33Å; R200-E211 PolarHBondContact NE-OE1 2.76Å; R200-E211 IonicContact NE-OE2 3.54Å; R200-E211 PolarHBondContact NE-OE2 2.74Å; R200-E211 IonicContact NH2-OE1 2.98Å; R200-E211 PolarHBondContact NH2-OE1 2.88Å; R200-E211 IonicContact NH2-OE2 3.33Å
201	Y	97.3	Very high	95.7	Very high	129 Å²	129	92 Å²	92	51%	0.506	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.4	170.1	-174.4	-106	0	0	0	109.8	N203 R206 V208	Y201-N203 WeakPolarHBondContact CE1-OD1 2.98Å; Y201-R206 WeakPolarHBondContact OH-CA 3.42Å; Y201-V208 HydrophobicContact CD2-CG2 4.19Å
202	D	96.9	Very high	95.7	Very high	23 Å²	23	95.1 Å²	95.1	12%	0.123	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.3	173.3	-173.3	9.1	0	0	0	110.2	R200 E204 L205 R206 R207 I209	R200-D202 IonicContact NH1-OD1 2.71Å; D202-E204 VanDerWaalsContact C-N 3.31Å; D202-E204 PolarHBondContact O-N 3.06Å; D202-E204 PolarHBondContact OD1-N 2.79Å; D202-L205 HydrophobicContact CB-CB 4.4Å; D202-L205 WeakPolarHBondContact OD2-CD1 3.46Å; D202-L205 VanDerWaalsContact OD2-CG 3.3Å; D202-L205 WeakPolarHBondContact OD2-CG 3.32Å; D202-R206 VanDerWaalsContact O-CA 3.3Å; D202-R206 WeakPolarHBondContact O-CA 2.99Å; D202-R206 PolarHBondContact O-N 3.45Å; D202-R207 PolarHBondContact N-O 3.03Å; D202-R207 PolarHBondContact O-N 2.85Å; D202-I209 HydrophobicContact CB-CD1 3.86Å; D202-I209 HydrophobicContact CB-CG1 4.09Å; D202-I209 HydrophobicContact CB-CG2 4.26Å
203	N	96.9	Very high	95.6	Very high	127 Å²	127	95.6 Å²	95.6	68%	0.679	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.8	-179.3	-82.2	-34.2	0	0	0	112.2	Y201 R206	Y201-N203 WeakPolarHBondContact CE1-OD1 2.98Å; N203-R206 WeakPolarHBondContact O-CG 3.27Å
204	E	97.2	Very high	95.6	Very high	179 Å²	179	95.5 Å²	95.5	84%	0.836	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-48.7	-178.2	-64.2	-173	177.3	0	0	110.9	D202 R206	D202-E204 VanDerWaalsContact C-N 3.31Å; D202-E204 PolarHBondContact O-N 3.06Å; D202-E204 PolarHBondContact OD1-N 2.79Å; E204-R206 VanDerWaalsContact C-N 3.31Å
205	L	96.5	Very high	95.6	Very high	95 Å²	95	96.2 Å²	96.2	50%	0.497	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.9	177.9	-60.9	177.9	0	0	0	113.5	D202 R207 I209	D202-L205 HydrophobicContact CB-CB 4.4Å; D202-L205 WeakPolarHBondContact OD2-CD1 3.46Å; D202-L205 VanDerWaalsContact OD2-CG 3.3Å; D202-L205 WeakPolarHBondContact OD2-CG 3.32Å; L205-R207 HydrophobicContact CB-CG 3.84Å; L205-R207 PolarHBondContact O-N 3.14Å; L205-I209 HydrophobicContact CD1-CG2 4.08Å
206	R	95.8	Very high	95.6	Very high	202 Å²	202	104.2 Å²	104.2	76%	0.762	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38.5	-175.3	-59.5	-178	178.3	175.8	-0.5	113.2	Y201 D202 N203 E204	Y201-R206 WeakPolarHBondContact OH-CA 3.42Å; D202-R206 VanDerWaalsContact O-CA 3.3Å; D202-R206 WeakPolarHBondContact O-CA 2.99Å; D202-R206 PolarHBondContact O-N 3.45Å; N203-R206 WeakPolarHBondContact O-CG 3.27Å; E204-R206 VanDerWaalsContact C-N 3.31Å
207	R	96.1	Very high	95.6	Very high	152 Å²	152	103.8 Å²	103.8	57%	0.574	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	163.5	-179.8	71.9	-177.8	-177.5	172.2	1.1	110.7	D202 L205 I209	D202-R207 PolarHBondContact N-O 3.03Å; D202-R207 PolarHBondContact O-N 2.85Å; L205-R207 HydrophobicContact CB-CG 3.84Å; L205-R207 PolarHBondContact O-N 3.14Å; R207-I209 HydrophobicContact CG-CG2 3.9Å
208	V	96.6	Very high	95.6	Very high	93 Å²	93	107.8 Å²	107.8	56%	0.564	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	130	169.7	177.8	0	0	0	0	108.5	V199 Y201	V199-V208 HydrophobicContact CB-CG1 4.48Å; V199-V208 HydrophobicContact CG1-CB 4.49Å; V199-V208 HydrophobicContact CG1-CG1 2.99Å; Y201-V208 HydrophobicContact CD2-CG2 4.19Å
209	I	95.6	Very high	95.5	Very high	23 Å²	23	111.3 Å²	111.3	12%	0.118	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.2	178.7	62.4	169.5	0	0	0	110.5	V199 R200 D202 L205 R207 E211	V199-I209 WeakPolarHBondContact CA-O 3.44Å; R200-I209 HydrophobicContact CG-CD1 4.41Å; R200-I209 HydrophobicContact CG-CG1 4Å; R200-I209 PolarHBondContact N-O 3.2Å; R200-I209 PolarHBondContact O-N 2.63Å; D202-I209 HydrophobicContact CB-CD1 3.86Å; D202-I209 HydrophobicContact CB-CG1 4.09Å; D202-I209 HydrophobicContact CB-CG2 4.26Å; L205-I209 HydrophobicContact CD1-CG2 4.08Å; R207-I209 HydrophobicContact CG-CG2 3.9Å; I209-E211 HydrophobicContact CD1-CG 3.97Å; I209-E211 VanDerWaalsContact CD1-OE1 3.23Å; I209-E211 WeakPolarHBondContact CD1-OE1 3.39Å; I209-E211 HydrophobicContact CG1-CG 4.32Å
210	S	95.5	Very high	95.5	Very high	80 Å²	80	114.6 Å²	114.6	56%	0.559	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.6	173.5	-51.5	0	0	0	0	109.3	E198	E198-S210 CarbonylContact O-C 3.59Å; E198-S210 WeakPolarHBondContact O-CA 3.15Å
211	E	94.6	Very high	95.4	Very high	60 Å²	60	117.4 Å²	117.4	28%	0.28	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	158.9	179.9	-69	-173	159.6	0	0	110.7	T197 E198 R200 I209 I213	T197-E211 CarbonylContact C-O 3.49Å; T197-E211 WeakPolarHBondContact CA-O 3.19Å; E198-E211 PolarHBondContact N-O 2.75Å; E198-E211 PolarHBondContact O-N 3.28Å; R200-E211 WeakPolarHBondContact CD-OE2 3.47Å; R200-E211 IonicContact CZ-OE1 3.85Å; R200-E211 IonicContact CZ-OE2 3.29Å; R200-E211 IonicContact NE-OE1 3.33Å; R200-E211 PolarHBondContact NE-OE1 2.76Å; R200-E211 IonicContact NE-OE2 3.54Å; R200-E211 PolarHBondContact NE-OE2 2.74Å; R200-E211 IonicContact NH2-OE1 2.98Å; R200-E211 PolarHBondContact NH2-OE1 2.88Å; R200-E211 IonicContact NH2-OE2 3.33Å; I209-E211 HydrophobicContact CD1-CG 3.97Å; I209-E211 VanDerWaalsContact CD1-OE1 3.23Å; I209-E211 WeakPolarHBondContact CD1-OE1 3.39Å; I209-E211 HydrophobicContact CG1-CG 4.32Å; E211-I213 PolarHBondContact O-N 2.99Å
212	P	95.6	Very high	95.3	Very high	101 Å²	101	117.9 Å²	117.9	66%	0.656	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-57.1	138	171.3	-22.8	34.1	0	0	0	111.2	Y196	Y196-P212 WeakPolarHBondContact O-CA 3.33Å
213	I	93.6	Very high	95.2	Very high	56 Å²	56	122.6 Å²	122.6	29%	0.287	59%	0.585	S	S	.	*			trans	-62.4	135.9	-171.6	-166.2	135.5	0	0	0	113.8	V194 Y196 E198 E211 L215	V194-I213 HydrophobicContact CB-CD1 4.12Å; V194-I213 HydrophobicContact CG1-CD1 3.2Å; V194-I213 HydrophobicContact CG1-CG1 4.06Å; Y196-I213 PolarHBondContact O-N 3.46Å; E198-I213 HydrophobicContact CB-CD1 4.19Å; E198-I213 HydrophobicContact CB-CG1 4.27Å; E211-I213 PolarHBondContact O-N 2.99Å; I213-L215 HydrophobicContact CD1-CD2 4.4Å; I213-L215 HydrophobicContact CG1-CD2 4.22Å; I213-L215 HydrophobicContact CG1-CG 4.25Å
214	Q	93.4	Very high	95.1	Very high	139 Å²	139	124.1 Å²	124.1	65%	0.65	59%	0.592	S	S	*	*			trans	-135	91.9	175.6	-67	-172.5	10.6	0	0	110.6	E198	E198-Q214 PolarHBondContact OE2-N 3.26Å
215	L	93.9	Very high	94.9	Very high	80 Å²	80	121.3 Å²	121.3	42%	0.419	59%	0.588	S	S	.	*			trans	-77.5	131.2	178.2	-63.7	-178.9	0	0	0	111.8	V194 I213 Q217	V194-L215 HydrophobicContact CB-CD1 4.48Å; V194-L215 HydrophobicContact CG1-CD1 3.79Å; V194-L215 HydrophobicContact CG1-CD2 3.94Å; V194-L215 HydrophobicContact CG1-CG 4.15Å; V194-L215 HydrophobicContact CG2-CD1 3.94Å; I213-L215 HydrophobicContact CD1-CD2 4.4Å; I213-L215 HydrophobicContact CG1-CD2 4.22Å; I213-L215 HydrophobicContact CG1-CG 4.25Å; L215-Q217 VanDerWaalsContact C-N 3.25Å; L215-Q217 PolarHBondContact O-N 3.21Å
216	M	95.3	Very high	94.8	Very high	179 Å²	179	120.5 Å²	120.5	88%	0.882	59%	0.59	S	S	*	*	S	Bend	trans	-67.5	-29.2	170.4	-63.6	-60.2	96.3	0	0	112.5
217	Q	95.5	Very high	94.7	Very high	131 Å²	131	116.7 Å²	116.7	61%	0.612	59%	0.591	S	S	*	*	S	Bend	trans	-131.6	121.1	173	-179.4	176.4	8.3	0	0	108.8	L215	L215-Q217 VanDerWaalsContact C-N 3.25Å; L215-Q217 PolarHBondContact O-N 3.21Å
218	E	94.4	Very high	94.6	Very high	163 Å²	163	119.5 Å²	119.5	76%	0.762	60%	0.602	S	S	*	*			trans	-65.9	151.6	176.3	-64.6	-178.4	172.8	0	0	112.1	R220	E218-R220 PolarHBondContact O-N 3.35Å; E218-R220 VanDerWaalsContact O-N 3.13Å
219	F	93.5	Very high	94.3	Very high	133 Å²	133	119.1 Å²	119.1	58%	0.583	59%	0.594	S	S	*	*			trans	-66.6	112.2	172.2	179.1	-99.4	0	0	0	110.2	L193 K221	L193-F219 HydrophobicContact CD2-CD1 4.48Å; L193-F219 HydrophobicContact CD2-CD2 3.97Å; L193-F219 HydrophobicContact CD2-CE1 4.29Å; L193-F219 HydrophobicContact CD2-CE2 3.75Å; L193-F219 HydrophobicContact CD2-CG 4.33Å; L193-F219 HydrophobicContact CD2-CZ 3.92Å; F219-K221 HydrophobicContact CE1-CB 4.36Å; F219-K221 PolarHBondContact O-N 3.01Å; F219-K221 VanDerWaalsContact O-N 3.15Å
220	R	95	Very high	94.1	Very high	161 Å²	161	121.7 Å²	121.7	61%	0.608	62%	0.618	S	S	*	*			trans	-77	101.4	177	-67.1	-178.5	-68.8	176.3	-0.8	109.9	E218 F222	E218-R220 PolarHBondContact O-N 3.35Å; E218-R220 VanDerWaalsContact O-N 3.13Å; R220-F222 HydrophobicContact CB-CE1 4.25Å; R220-F222 HydrophobicContact CB-CE2 4.49Å; R220-F222 HydrophobicContact CB-CZ 4.01Å; R220-F222 PolarHBondContact O-N 2.84Å
221	K	94.3	Very high	93.8	Very high	160 Å²	160	124.2 Å²	124.2	70%	0.696	62%	0.62	S	S	*	*			trans	-71.9	115.6	172.7	-174.9	-174.7	174.3	-167.8	0	109.7	F219 D223	F219-K221 HydrophobicContact CE1-CB 4.36Å; F219-K221 PolarHBondContact O-N 3.01Å; F219-K221 VanDerWaalsContact O-N 3.15Å; K221-D223 WeakPolarHBondContact CE-OD1 3.2Å; K221-D223 IonicContact NZ-OD1 2.71Å
222	F	95.7	Very high	93.5	Very high	139 Å²	139	126.3 Å²	126.3	61%	0.61	64%	0.638	S	S	*	*			trans	-95.2	120.4	172.8	-58.5	-61.2	0	0	0	110.2	R220 L224	R220-F222 HydrophobicContact CB-CE1 4.25Å; R220-F222 HydrophobicContact CB-CE2 4.49Å; R220-F222 HydrophobicContact CB-CZ 4.01Å; R220-F222 PolarHBondContact O-N 2.84Å; F222-L224 HydrophobicContact CB-CD2 3.97Å; F222-L224 HydrophobicContact CB-CG 4.07Å; F222-L224 PolarHBondContact O-N 2.76Å; F222-L224 VanDerWaalsContact O-N 3.11Å
223	D	94.4	Very high	93	Very high	122 Å²	122	125.3 Å²	125.3	65%	0.652	64%	0.638	S	S	*	*			trans	-82.4	86.9	171.6	-68.6	-25.7	0	0	0	109.1	K221 T225	K221-D223 WeakPolarHBondContact CE-OD1 3.2Å; K221-D223 IonicContact NZ-OD1 2.71Å; D223-T225 PolarHBondContact O-N 3Å
224	L	95.7	Very high	92.6	Very high	158 Å²	158	125 Å²	125	83%	0.827	64%	0.635	S	S	*	*			trans	-80.7	5.2	-178.6	-59.1	176.8	0	0	0	113.3	F222 S226	F222-L224 HydrophobicContact CB-CD2 3.97Å; F222-L224 HydrophobicContact CB-CG 4.07Å; F222-L224 PolarHBondContact O-N 2.76Å; F222-L224 VanDerWaalsContact O-N 3.11Å; L224-S226 PolarHBondContact O-N 3.2Å
225	T	93.2	Very high	92	Very high	121 Å²	121	124.6 Å²	124.6	74%	0.742	63%	0.631	S	S	*	*			trans	-69.8	120.9	-177.3	51	0	0	0	0	110.6	D223	D223-T225 PolarHBondContact O-N 3Å
226	S	93.9	Very high	91.4	Very high	77 Å²	77	129 Å²	129	54%	0.538	65%	0.649	S	S	.	*			trans	-66.9	138.4	171.2	173.5	0	0	0	0	110.5	L224 W228	L224-S226 PolarHBondContact O-N 3.2Å; S226-W228 PolarHBondContact O-N 2.8Å; S226-W228 PolarHBondContact OG-N 3.46Å; S226-W228 VanDerWaalsContact OG-N 3.11Å; S226-W228 PolarHBondContact OG-O 3.28Å
227	P	94	Very high	90.6	Very high	122 Å²	122	126.1 Å²	126.1	79%	0.792	63%	0.634	S	S	*	*	S	Bend	trans	-71.4	-16.3	171.9	30.9	-35.1	0	0	0	112.5
228	W	93.2	Very high	89.5	Confident	211 Å²	211	128.6 Å²	128.6	80%	0.799	64%	0.637	S	S	*	*	S	Bend	trans	-89.7	131.9	178.5	-56.6	101	0	0	0	111	S226 A230	S226-W228 PolarHBondContact O-N 2.8Å; S226-W228 PolarHBondContact OG-N 3.46Å; S226-W228 VanDerWaalsContact OG-N 3.11Å; S226-W228 PolarHBondContact OG-O 3.28Å; W228-A230 PolarHBondContact O-N 2.8Å
229	E	89.6	Confident	88.3	Confident	86 Å²	86	127 Å²	127	40%	0.402	63%	0.632	S	S	.	*			trans	-66.3	112.5	174.3	-172.3	-174.2	168	0	0	110.7	P232 K235	E229-P232 WeakPolarHBondContact OE1-CA 3.28Å; E229-K235 WeakPolarHBondContact OE1-CA 3.32Å; E229-K235 WeakPolarHBondContact OE1-CB 2.98Å; E229-K235 VanDerWaalsContact OE1-CG 3.32Å; E229-K235 WeakPolarHBondContact OE1-CG 3.41Å; E229-K235 PolarHBondContact OE1-N 3.02Å; E229-K235 WeakPolarHBondContact OE2-CD 3.45Å; E229-K235 VanDerWaalsContact OE2-CE 3.28Å; E229-K235 WeakPolarHBondContact OE2-CE 3.32Å; E229-K235 VanDerWaalsContact OE2-CG 3.28Å; E229-K235 WeakPolarHBondContact OE2-CG 3.3Å; E229-K235 IonicContact OE2-NZ 2.68Å
230	A	91.3	Very high	87.2	Confident	76 Å²	76	123.7 Å²	123.7	63%	0.628	62%	0.622	S	S	*	*	S	Bend	trans	-79.3	-27.3	-177.8	0	0	0	0	0	113.5	W228 P232	W228-A230 PolarHBondContact O-N 2.8Å; A230-P232 WeakPolarHBondContact O-CD 3.08Å
231	F	90	Very high	85.7	Confident	134 Å²	134	118.3 Å²	118.3	59%	0.588	61%	0.61	S	S	*	*			trans	-126.8	84.6	-172.8	-53.5	-71	0	0	0	112	A233 F234	F231-A233 PolarHBondContact O-N 3.22Å; F231-F234 HydrophobicContact CB-CD2 3.65Å; F231-F234 HydrophobicContact CB-CE2 4.29Å; F231-F234 HydrophobicContact CG-CD2 4.4Å; F231-F234 PolarHBondContact O-N 2.96Å
232	P	88.3	Confident	84.3	Confident	103 Å²	103	114.8 Å²	114.8	67%	0.669	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-56.1	-25.3	-177.3	-27	34.7	0	0	0	115	E229 A230 F234 K235	E229-P232 WeakPolarHBondContact OE1-CA 3.28Å; A230-P232 WeakPolarHBondContact O-CD 3.08Å; P232-F234 PolarHBondContact O-N 3.06Å; P232-K235 PolarHBondContact O-N 3.29Å
233	A	85.6	Confident	83.5	Confident	80 Å²	80	110.7 Å²	110.7	66%	0.661	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-63.5	-21.9	177.8	0	0	0	0	0	113.2	F231	F231-A233 PolarHBondContact O-N 3.22Å
234	F	84.1	Confident	82.8	Confident	49 Å²	49	108.6 Å²	108.6	22%	0.215	57%	0.574	C	S	.	*	G	3₁₀ helix	trans	-116.1	21	-174.8	-53.6	-69.8	0	0	0	113	F231 P232 H236 E237 M239 T242	F231-F234 HydrophobicContact CB-CD2 3.65Å; F231-F234 HydrophobicContact CB-CE2 4.29Å; F231-F234 HydrophobicContact CG-CD2 4.4Å; F231-F234 PolarHBondContact O-N 2.96Å; P232-F234 PolarHBondContact O-N 3.06Å; F234-H236 VanDerWaalsContact C-N 3.3Å; F234-H236 PolarHBondContact O-N 3.44Å; F234-E237 CarbonylContact C-O 3.5Å; F234-M239 HydrophobicContact CB-CG 4.38Å; F234-M239 HydrophobicContact CD1-CB 4.41Å; F234-M239 HydrophobicContact CD1-CG 4.2Å; F234-M239 HydrophobicContact CD2-CG 3.98Å; F234-M239 HydrophobicContact CE1-CB 4.33Å; F234-M239 HydrophobicContact CE1-CG 4.35Å; F234-M239 WeakPolarHBondContact CE1-O 3.3Å; F234-M239 HydrophobicContact CE2-CG 4.23Å; F234-M239 HydrophobicContact CG-CG 3.95Å; F234-M239 HydrophobicContact CZ-CG 4.37Å; F234-T242 HydrophobicContact CD1-CG2 4.43Å; F234-T242 HydrophobicContact CE1-CG2 3.24Å; F234-T242 HydrophobicContact CZ-CG2 3.36Å
235	K	82.2	Confident	82.2	Confident	131 Å²	131	104.9 Å²	104.9	57%	0.57	56%	0.555	S	S	*	*	S	Bend	trans	-55.3	-46.3	-175	-169.8	165.2	-173.8	170.2	0	113.9	E229 P232	E229-K235 WeakPolarHBondContact OE1-CA 3.32Å; E229-K235 WeakPolarHBondContact OE1-CB 2.98Å; E229-K235 VanDerWaalsContact OE1-CG 3.32Å; E229-K235 WeakPolarHBondContact OE1-CG 3.41Å; E229-K235 PolarHBondContact OE1-N 3.02Å; E229-K235 WeakPolarHBondContact OE2-CD 3.45Å; E229-K235 VanDerWaalsContact OE2-CE 3.28Å; E229-K235 WeakPolarHBondContact OE2-CE 3.32Å; E229-K235 VanDerWaalsContact OE2-CG 3.28Å; E229-K235 WeakPolarHBondContact OE2-CG 3.3Å; E229-K235 IonicContact OE2-NZ 2.68Å; P232-K235 PolarHBondContact O-N 3.29Å
236	H	81.3	Confident	81.7	Confident	172 Å²	172	99.6 Å²	99.6	80%	0.796	52%	0.522	S	S	*	.	S	Bend	trans	-113.8	-5.3	-174.1	-53.2	101.8	0	0	0	112.1	F234	F234-H236 VanDerWaalsContact C-N 3.3Å; F234-H236 PolarHBondContact O-N 3.44Å
237	E	76.6	Confident	81.1	Confident	120 Å²	120	101.4 Å²	101.4	56%	0.561	53%	0.526	S	S	*	.	S	Bend	trans	-122.5	148.8	-176	-63.3	-173.4	175.4	0	0	110.3	F234 S241	F234-E237 CarbonylContact C-O 3.5Å; E237-S241 WeakPolarHBondContact CB-OG 3.33Å; E237-S241 WeakPolarHBondContact OE2-CB 3.13Å; E237-S241 PolarHBondContact OE2-OG 2.92Å
238	R	72.5	Confident	80.2	Confident	182 Å²	182	98.2 Å²	98.2	69%	0.687	50%	0.502	S	S	*	.			trans	-64.9	150	175.7	-63.3	176.5	-178.3	166.3	0.1	108.9	T240 S241	R238-T240 WeakPolarHBondContact CB-OG1 3.44Å; R238-T240 PolarHBondContact O-N 3.49Å; R238-S241 VanDerWaalsContact O-CB 3.24Å; R238-S241 WeakPolarHBondContact O-CB 3.28Å; R238-S241 PolarHBondContact O-N 2.93Å; R238-S241 PolarHBondContact O-OG 3.07Å
239	M	70	Confident	79.1	Confident	131 Å²	131	93.7 Å²	93.7	65%	0.645	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-52.8	-29.5	174	-79.4	-172.5	-89.1	0	0	113.6	F234 S241 T242	F234-M239 HydrophobicContact CB-CG 4.38Å; F234-M239 HydrophobicContact CD1-CB 4.41Å; F234-M239 HydrophobicContact CD1-CG 4.2Å; F234-M239 HydrophobicContact CD2-CG 3.98Å; F234-M239 HydrophobicContact CE1-CB 4.33Å; F234-M239 HydrophobicContact CE1-CG 4.35Å; F234-M239 WeakPolarHBondContact CE1-O 3.3Å; F234-M239 HydrophobicContact CE2-CG 4.23Å; F234-M239 HydrophobicContact CG-CG 3.95Å; F234-M239 HydrophobicContact CZ-CG 4.37Å; M239-S241 PolarHBondContact O-N 2.95Å; M239-S241 VanDerWaalsContact O-N 3.1Å; M239-T242 PolarHBondContact O-N 2.82Å; M239-T242 PolarHBondContact O-OG1 3.47Å
240	T	70.9	Confident	77.3	Confident	62 Å²	62	93 Å²	93	38%	0.38	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-62.6	-10.2	173.3	57.6	0	0	0	0	114	R238 T242 Y243	R238-T240 WeakPolarHBondContact CB-OG1 3.44Å; R238-T240 PolarHBondContact O-N 3.49Å; T240-T242 VanDerWaalsContact C-N 3.27Å; T240-T242 PolarHBondContact O-N 2.9Å; T240-Y243 HydrophobicContact CG2-CD2 4.31Å; T240-Y243 HydrophobicContact CG2-CE2 3.65Å; T240-Y243 WeakPolarHBondContact O-CB 3.36Å; T240-Y243 WeakPolarHBondContact O-CD2 3.5Å; T240-Y243 VanDerWaalsContact O-CG 3.29Å; T240-Y243 PolarHBondContact O-N 3.21Å
241	S	62.6	Low	74.8	Confident	49 Å²	49	93.2 Å²	93.2	34%	0.343	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-72.7	-17.9	175.3	74.8	0	0	0	0	113.3	E237 R238 M239 Y243	E237-S241 WeakPolarHBondContact CB-OG 3.33Å; E237-S241 WeakPolarHBondContact OE2-CB 3.13Å; E237-S241 PolarHBondContact OE2-OG 2.92Å; R238-S241 VanDerWaalsContact O-CB 3.24Å; R238-S241 WeakPolarHBondContact O-CB 3.28Å; R238-S241 PolarHBondContact O-N 2.93Å; R238-S241 PolarHBondContact O-OG 3.07Å; M239-S241 PolarHBondContact O-N 2.95Å; M239-S241 VanDerWaalsContact O-N 3.1Å; S241-Y243 PolarHBondContact O-N 3.32Å
242	T	65	Low	72.2	Confident	86 Å²	86	96.5 Å²	96.5	53%	0.528	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-72.5	-10.9	170.3	44.1	0	0	0	0	113.9	F234 M239 T240 V244	F234-T242 HydrophobicContact CD1-CG2 4.43Å; F234-T242 HydrophobicContact CE1-CG2 3.24Å; F234-T242 HydrophobicContact CZ-CG2 3.36Å; M239-T242 PolarHBondContact O-N 2.82Å; M239-T242 PolarHBondContact O-OG1 3.47Å; T240-T242 VanDerWaalsContact C-N 3.27Å; T240-T242 PolarHBondContact O-N 2.9Å; T242-V244 PolarHBondContact O-N 3.05Å
243	Y	79	Confident	69.5	Low	52 Å²	52	96 Å²	96	20%	0.204	51%	0.512	C	S	.	.	S	Bend	trans	-65.5	129.4	174.3	-58.1	-25.4	0	0	0	109	Q66 L67 A68 T240 S241 D245	Q66-Y243 HydrophobicContact CG-CD2 4.23Å; L67-Y243 WeakPolarHBondContact O-CA 3.44Å; A68-Y243 VanDerWaalsContact CA-CD1 3.48Å; A68-Y243 HydrophobicContact CB-CD1 3.96Å; A68-Y243 HydrophobicContact CB-CE1 3.64Å; T240-Y243 HydrophobicContact CG2-CD2 4.31Å; T240-Y243 HydrophobicContact CG2-CE2 3.65Å; T240-Y243 WeakPolarHBondContact O-CB 3.36Å; T240-Y243 WeakPolarHBondContact O-CD2 3.5Å; T240-Y243 VanDerWaalsContact O-CG 3.29Å; T240-Y243 PolarHBondContact O-N 3.21Å; S241-Y243 PolarHBondContact O-N 3.32Å; Y243-D245 PolarHBondContact O-N 2.68Å
244	V	79.8	Confident	67.2	Low	78 Å²	78	100.1 Å²	100.1	47%	0.473	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	104	177.6	-179.1	0	0	0	0	106.6	Q66 L67 T242 V246	Q66-V244 WeakPolarHBondContact CA-O 3.43Å; L67-V244 HydrophobicContact CB-CB 4.25Å; L67-V244 PolarHBondContact N-O 3.22Å; L67-V244 PolarHBondContact O-N 3.32Å; T242-V244 PolarHBondContact O-N 3.05Å; V244-V246 PolarHBondContact O-N 3.47Å
245	D	83.2	Confident	64.8	Low	81 Å²	81	105.7 Å²	105.7	43%	0.433	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	121.2	174.4	-79	-4	0	0	0	108.9	K64 Y243 N247	K64-D245 WeakPolarHBondContact CE-OD1 3.23Å; K64-D245 WeakPolarHBondContact CE-OD2 3.49Å; K64-D245 IonicContact NZ-OD1 3.76Å; K64-D245 PolarHBondContact NZ-OD1 2.71Å; K64-D245 IonicContact NZ-OD2 3.62Å; K64-D245 PolarHBondContact NZ-OD2 3.29Å; Y243-D245 PolarHBondContact O-N 2.68Å; D245-N247 PolarHBondContact O-N 3.15Å
246	V	81.9	Confident	62.7	Low	9 Å²	9	108.9 Å²	108.9	6%	0.055	56%	0.563	C	S	.	*			trans	-86.9	104.6	178.1	-179.1	0	0	0	0	107.4	R52 L65 L67 V244 L248	R52-V246 HydrophobicContact CG-CG1 3.76Å; L65-V246 HydrophobicContact CB-CB 3.88Å; L65-V246 HydrophobicContact CB-CG2 4.48Å; L65-V246 HydrophobicContact CD1-CG1 4.45Å; L65-V246 PolarHBondContact O-N 2.99Å; L67-V246 HydrophobicContact CD1-CG2 4.43Å; L67-V246 HydrophobicContact CG-CG2 4.11Å; V244-V246 PolarHBondContact O-N 3.47Å; V246-L248 PolarHBondContact O-N 3.11Å
247	N	82	Confident	60.6	Low	115 Å²	115	106.2 Å²	106.2	62%	0.615	56%	0.564	S	S	*	*			trans	-52.1	123.5	176.1	-70.9	-23.3	0	0	0	110.6	R52 D245	R52-N247 PolarHBondContact NE-O 3.34Å; D245-N247 PolarHBondContact O-N 3.15Å
248	L	76.4	Confident	58.7	Low	56 Å²	56	103.6 Å²	103.6	29%	0.293	57%	0.569	S	S	.	*	S	Bend	trans	-75.4	-28.1	-177	-60.5	176.1	0	0	0	112.2	H55 Q63 L65 V246	H55-L248 HydrophobicContact CB-CD2 4.19Å; Q63-L248 WeakPolarHBondContact O-CD1 3.35Å; L65-L248 HydrophobicContact CB-CD2 4.33Å; L65-L248 HydrophobicContact CD1-CD2 3.69Å; L65-L248 HydrophobicContact CG-CD2 3.86Å; V246-L248 PolarHBondContact O-N 3.11Å
249	T	68.6	Low	57	Low	116 Å²	116	103.9 Å²	103.9	71%	0.712	58%	0.578	S	S	*	*	S	Bend	trans	-81.2	119.1	174.3	53.2	0	0	0	0	109.9	A251	T249-A251 PolarHBondContact O-N 3.38Å
250	D	53	Low	55.4	Low	70 Å²	70	103.3 Å²	103.3	37%	0.374	58%	0.582	S	S	.	*			trans	-59.2	122.9	167.2	-67	-42.2	0	0	0	109	R56 K252	R56-D250 IonicContact CZ-OD1 3.61Å; R56-D250 IonicContact CZ-OD2 3.8Å; R56-D250 IonicContact NE-OD1 3.72Å; R56-D250 IonicContact NE-OD2 2.92Å; R56-D250 PolarHBondContact NE-OD2 2.9Å; R56-D250 IonicContact NH2-OD1 2.7Å; R56-D250 PolarHBondContact NH2-OD1 3.44Å; R56-D250 IonicContact NH2-OD2 2.74Å; R56-D250 PolarHBondContact NH2-OD2 3.33Å; D250-K252 PolarHBondContact O-N 3.34Å
251	A	37.9	Very low	54	Low	81 Å²	81	110.3 Å²	110.3	67%	0.669	61%	0.607	S	S	*	*			trans	-62.3	85.7	171.3	0	0	0	0	0	109.5	T249 S253	T249-A251 PolarHBondContact O-N 3.38Å; A251-S253 PolarHBondContact O-N 3.11Å
252	K	35.6	Very low	53.1	Low	203 Å²	203	119.9 Å²	119.9	88%	0.883	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	31.6	169.5	-79.8	-174.6	172.9	178	0	112.3	D250	D250-K252 PolarHBondContact O-N 3.34Å
253	S	32.5	Very low	52.5	Low	94 Å²	94	121.6 Å²	121.6	66%	0.657	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	0.1	-170	57.5	0	0	0	0	116.9	A251	A251-S253 PolarHBondContact O-N 3.11Å
254	E	35.3	Very low	51.1	Low	165 Å²	165	125.3 Å²	125.3	77%	0.771	68%	0.676	S	S	*	*	S	Bend	trans	-101.4	-5.5	-178	-70.4	-166	159.7	0	0	116.3
255	D	35.2	Very low	49.5	Very low	166 Å²	166	127.9 Å²	127.9	89%	0.888	69%	0.687	S	S	*	*	S	Bend	trans	-104.2	12.7	-178.2	-75.7	-28.3	0	0	0	115.4
256	K	38.2	Very low	47.5	Very low	199 Å²	199	130.6 Å²	130.6	87%	0.865	70%	0.702	S	S	*	*	S	Bend	trans	-109.6	7.2	179.2	-75	-162.7	177.6	-171.5	0	116.2
257	S	36.5	Very low	45.4	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	74%	0.743	S	S	*	*	S	Bend	trans	-102.3	6.3	178.7	51.8	0	0	0	0	114.6
258	G	35.9	Very low	42.9	Very low	65 Å²	65	139.8 Å²	139.8	67%	0.67	75%	0.751	S	S	*	*			trans	-103.3	14.7	-178.6	0	0	0	0	0	116	V260	G258-V260 PolarHBondContact O-N 3.13Å
259	E	37.6	Very low	40.5	Very low	187 Å²	187	145.8 Å²	145.8	87%	0.874	78%	0.784	S	S	*	*			trans	-74.3	92	177.5	-128.4	173	-172.1	0	0	110.6	K261	E259-K261 PolarHBondContact O-N 3.45Å
260	V	37	Very low	38.4	Very low	120 Å²	120	148.1 Å²	148.1	73%	0.727	79%	0.79	S	S	*	*			trans	-9.6	106.8	156.7	-175.8	0	0	0	0	114.3	G258 Q262	G258-V260 PolarHBondContact O-N 3.13Å; V260-Q262 HydrophobicContact CG1-CG 4.08Å
261	K	41.2	Very low	37.1	Very low	209 Å²	209	154.6 Å²	154.6	91%	0.909	82%	0.824	S	S	*	*			trans	-85.9	106.7	148.5	-77.6	-176	175.8	-179.7	0	107.8	E259	E259-K261 PolarHBondContact O-N 3.45Å
262	Q	42.9	Very low	37.1	Very low	250 Å²	250	161.3 Å²	161.3	100%	1.168	84%	0.838	S	S	*	*			trans	-78.1	0	147.3	-79.7	-177.2	-14.5	0	0	108.9	V260	V260-Q262 HydrophobicContact CG1-CG 4.08Å

Retrieved 262 of 262 residues in 506.7 ms (Link to these results)

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