A0A087XU15_POEFO Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A087XU15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 381 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	33.2	Very low	259 Å²	259	135 Å²	135	100%	1.276	83%	0.828	S	S	*	*				0	102.4	0	-95.3	159.8	152.5	0	0	107.2
2	G	34.3	Very low	33	Very low	64 Å²	64	138.9 Å²	138.9	66%	0.66	84%	0.839	S	S	*	*			cis	-145.5	146	-7.8	0	0	0	0	0	106.8
3	D	37	Very low	32.5	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	82%	0.82	S	S	*	*				55.4	141.4	91.3	-77.2	-24.5	0	0	0	113.6
4	Q	37.5	Very low	32.6	Very low	155 Å²	155	134.3 Å²	134.3	72%	0.724	82%	0.82	S	S	*	*			cis	-175.5	137.3	-2	-105.2	166.5	26.8	0	0	103.1
5	D	36.1	Very low	32.5	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	82%	0.815	S	S	*	*				82.1	144.5	87.2	-129.2	-0.3	0	0	0	117.3
6	A	34.3	Very low	32.3	Very low	102 Å²	102	142.9 Å²	142.9	84%	0.843	81%	0.813	S	S	*	*			trans	68.5	148.7	167.1	0	0	0	0	0	119.5
7	G	28.8	Very low	32.3	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	81%	0.809	S	S	*	*			cis	147	161.1	9.6	0	0	0	0	0	109.8
8	S	29.1	Very low	32	Very low	107 Å²	107	146.9 Å²	146.9	75%	0.748	81%	0.813	S	S	*	*			trans	91.6	120.1	166.5	-160.1	0	0	0	0	119.4
9	D	32.2	Very low	32.3	Very low	159 Å²	159	145.4 Å²	145.4	85%	0.85	81%	0.81	S	S	*	*				-170.6	141.6	102.9	-92.3	-8.4	0	0	0	112.8
10	G	28.2	Very low	32.5	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	81%	0.814	S	S	*	*			trans	-121.4	-179.1	180	0	0	0	0	0	113.9
11	E	32.5	Very low	32.4	Very low	194 Å²	194	149.7 Å²	149.7	91%	0.907	81%	0.814	S	S	*	*			trans	72.1	122.3	156.6	-113.1	-176.1	178.2	0	0	121.1
12	L	30.5	Very low	32.2	Very low	182 Å²	182	145.2 Å²	145.2	95%	0.953	80%	0.795	S	S	*	*				-169.5	128.6	126.4	-109.8	137.8	0	0	0	112.1
13	G	27.2	Very low	32.3	Very low	58 Å²	58	149.4 Å²	149.4	60%	0.598	80%	0.801	S	S	*	*			trans	-121.3	-169.8	174.8	0	0	0	0	0	114.3
14	L	33.3	Very low	32.3	Very low	155 Å²	155	150.3 Å²	150.3	81%	0.812	80%	0.8	S	S	*	*			trans	84.5	139.3	173.6	-79.1	82.6	0	0	0	116.5
15	R	31.2	Very low	32.1	Very low	200 Å²	200	151 Å²	151	76%	0.755	80%	0.803	S	S	*	*			cis	-173.5	153.6	29.1	-140.7	170.9	-171.1	-179.6	5.4	115
16	R	30	Very low	32.1	Very low	206 Å²	206	152.3 Å²	152.3	78%	0.777	80%	0.802	S	S	*	*			trans	105.3	141.8	142.3	-73.1	-178.2	172.8	165.4	-1.2	118.4
17	Q	32	Very low	32.9	Very low	158 Å²	158	155.5 Å²	155.5	74%	0.738	80%	0.804	S	S	*	*			cis	176.4	148.7	-16.1	-167	170.3	12.9	0	0	106.9
18	F	27.4	Very low	33.8	Very low	201 Å²	201	157.1 Å²	157.1	88%	0.882	80%	0.801	S	S	*	*			trans	172	156.4	144.8	-96.6	-61.3	0	0	0	111.4
19	P	36.9	Very low	34.8	Very low	118 Å²	118	155.8 Å²	155.8	77%	0.766	80%	0.797	S	S	*	*				-117.5	167.6	-116.1	37.8	-21.7	0	0	0	116.4
20	K	35.6	Very low	35.8	Very low	203 Å²	203	155.4 Å²	155.4	88%	0.883	79%	0.787	S	S	*	*			trans	-90.2	132.9	167.5	-74.4	177.7	175.7	177.2	0	111.4
21	H	31.6	Very low	37.1	Very low	178 Å²	178	157.1 Å²	157.1	82%	0.824	78%	0.78	S	S	*	*			trans	164	135.6	144.8	-100.1	-72.2	0	0	0	106.2
22	L	30.3	Very low	38.4	Very low	165 Å²	165	152.4 Å²	152.4	86%	0.864	77%	0.768	S	S	*	*			cis	-143	145.7	33.5	-79.1	96.4	0	0	0	112.1
23	L	36.5	Very low	39.8	Very low	151 Å²	151	152.2 Å²	152.2	79%	0.791	76%	0.755	S	S	*	*			trans	-88.9	155.4	163.9	-141.3	88.9	0	0	0	109.8
24	H	37.1	Very low	41.9	Very low	164 Å²	164	155 Å²	155	76%	0.759	75%	0.751	S	S	*	*			trans	93.6	104.7	168.1	-74.6	-0.3	0	0	0	118.4
25	Q	33.3	Very low	43.9	Very low	170 Å²	170	154.4 Å²	154.4	79%	0.794	74%	0.738	S	S	*	*				-176.2	134.8	101	-96.3	178.9	14.3	0	0	113.8
26	K	35.8	Very low	46.2	Very low	181 Å²	181	146.9 Å²	146.9	79%	0.787	72%	0.724	S	S	*	*			trans	66.7	100.6	148.5	-63.5	-177.4	178.5	-178.7	0	120.6	P28	K26-P28 WeakPolarHBondContact O-CD 3.39Å
27	L	50.9	Low	48.4	Very low	169 Å²	169	140.3 Å²	140.3	89%	0.885	70%	0.703	S	S	*	*			trans	-85.9	115.4	149.2	-102.5	85.8	0	0	0	109.6
28	P	48.2	Very low	50.7	Low	109 Å²	109	137 Å²	137	71%	0.708	69%	0.69	S	S	*	*			trans	-138.2	-0.4	144.5	32.1	-15.5	0	0	0	114.6	K26	K26-P28 WeakPolarHBondContact O-CD 3.39Å
29	A	50.9	Low	53.2	Low	79 Å²	79	133.1 Å²	133.1	65%	0.653	68%	0.676	S	S	*	*	S	Bend	trans	-91.3	-18.8	-170.8	0	0	0	0	0	115.1
30	F	51.7	Low	55.2	Low	150 Å²	150	132.6 Å²	132.6	66%	0.658	67%	0.666	S	S	*	*	H	α-helix	trans	-78	-31.3	-169	-155	-99.7	0	0	0	113.8
31	N	56.7	Low	57.5	Low	109 Å²	109	126.8 Å²	126.8	58%	0.583	65%	0.651	S	S	*	*	H	α-helix	trans	-73.7	-36.2	-179.9	-91.4	2.6	0	0	0	113.1	W33 F34 Y35	N31-W33 PolarHBondContact O-N 3.42Å; N31-F34 PolarHBondContact O-N 3.3Å; N31-Y35 HydrophobicContact CB-CE2 4.28Å; N31-Y35 WeakPolarHBondContact O-CD2 3.02Å; N31-Y35 PolarHBondContact O-N 3.25Å
32	S	59.2	Low	59.9	Low	94 Å²	94	122.8 Å²	122.8	66%	0.657	64%	0.635	S	S	*	*	H	α-helix	trans	-68.7	-37.3	-173.9	-161	0	0	0	0	112.6	G36	S32-G36 PolarHBondContact O-N 3.47Å; S32-G36 VanDerWaalsContact O-N 3.08Å
33	W	60.1	Low	62.4	Low	179 Å²	179	120.2 Å²	120.2	68%	0.678	62%	0.621	S	S	*	*	H	α-helix	trans	-71.3	-34.6	178.7	-173.6	64.2	0	0	0	112.7	N31 G36 L37	N31-W33 PolarHBondContact O-N 3.42Å; W33-G36 PolarHBondContact O-N 3.41Å; W33-L37 HydrophobicContact CD2-CD1 3.73Å; W33-L37 HydrophobicContact CE3-CD1 3.82Å; W33-L37 HydrophobicContact CH2-CD1 3.65Å; W33-L37 HydrophobicContact CZ2-CD1 3.54Å; W33-L37 HydrophobicContact CZ3-CD1 3.78Å; W33-L37 PolarHBondContact O-N 2.78Å
34	F	71.3	Confident	64.4	Low	116 Å²	116	117.1 Å²	117.1	51%	0.509	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-44.3	176.7	-174.9	-100.4	0	0	0	112.1	N31 G36 L37 L38	N31-F34 PolarHBondContact O-N 3.3Å; F34-G36 VanDerWaalsContact C-N 3.32Å; F34-G36 PolarHBondContact O-N 3.31Å; F34-L37 PolarHBondContact O-N 2.99Å; F34-L38 PolarHBondContact O-N 3.47Å
35	Y	74.6	Confident	66.4	Low	142 Å²	142	115.6 Å²	115.6	56%	0.557	60%	0.6	S	S	*	*	H	α-helix	trans	-66.3	-34	174.1	-70	-66.2	0	0	0	112.3	N31 L38 M39	N31-Y35 HydrophobicContact CB-CE2 4.28Å; N31-Y35 WeakPolarHBondContact O-CD2 3.02Å; N31-Y35 PolarHBondContact O-N 3.25Å; Y35-L38 PolarHBondContact O-N 3.01Å; Y35-M39 VanDerWaalsContact O-CG 3.3Å; Y35-M39 WeakPolarHBondContact O-CG 3.42Å; Y35-M39 PolarHBondContact O-N 3.24Å
36	G	79.3	Confident	68.5	Low	43 Å²	43	111.5 Å²	111.5	44%	0.443	59%	0.587	S	S	.	*	H	α-helix	trans	-62	-44	172.4	0	0	0	0	0	113.1	S32 W33 F34 L40	S32-G36 PolarHBondContact O-N 3.47Å; S32-G36 VanDerWaalsContact O-N 3.08Å; W33-G36 PolarHBondContact O-N 3.41Å; F34-G36 VanDerWaalsContact C-N 3.32Å; F34-G36 PolarHBondContact O-N 3.31Å; G36-L40 WeakPolarHBondContact O-CB 3.45Å; G36-L40 PolarHBondContact O-N 3.38Å
37	L	77.6	Confident	70.2	Confident	67 Å²	67	106.2 Å²	106.2	35%	0.351	57%	0.569	S	S	.	*	H	α-helix	trans	-64.4	-41.9	175.3	-91.3	157.6	0	0	0	112.4	W33 F34 M39 L40 C41	W33-L37 HydrophobicContact CD2-CD1 3.73Å; W33-L37 HydrophobicContact CE3-CD1 3.82Å; W33-L37 HydrophobicContact CH2-CD1 3.65Å; W33-L37 HydrophobicContact CZ2-CD1 3.54Å; W33-L37 HydrophobicContact CZ3-CD1 3.78Å; W33-L37 PolarHBondContact O-N 2.78Å; F34-L37 PolarHBondContact O-N 2.99Å; L37-M39 PolarHBondContact O-N 3.21Å; L37-L40 PolarHBondContact O-N 3.42Å; L37-C41 PolarHBondContact O-N 3.37Å; L37-C41 PolarHBondContact O-SG 3.4Å
38	L	80.6	Confident	71.1	Confident	89 Å²	89	105.4 Å²	105.4	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-63.9	-42.6	179.3	-154.8	94.7	0	0	0	111.6	F34 Y35 L40 C41 L42	F34-L38 PolarHBondContact O-N 3.47Å; Y35-L38 PolarHBondContact O-N 3.01Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L38-C41 PolarHBondContact O-N 3.4Å; L38-L42 PolarHBondContact O-N 2.91Å
39	M	79.5	Confident	71.9	Confident	119 Å²	119	104.9 Å²	104.9	59%	0.586	55%	0.55	S	S	*	.	H	α-helix	trans	-66.9	-35.7	176.7	-71	-62.8	-71.9	0	0	112.2	Y35 L37 L42 L43	Y35-M39 VanDerWaalsContact O-CG 3.3Å; Y35-M39 WeakPolarHBondContact O-CG 3.42Å; Y35-M39 PolarHBondContact O-N 3.24Å; L37-M39 PolarHBondContact O-N 3.21Å; M39-L42 PolarHBondContact O-N 2.77Å; M39-L43 WeakPolarHBondContact O-CB 3.32Å; M39-L43 PolarHBondContact O-N 2.99Å
40	L	79.4	Confident	72.3	Confident	107 Å²	107	104.4 Å²	104.4	56%	0.56	55%	0.545	S	S	*	.	H	α-helix	trans	-65.2	-44.1	174.5	-165.2	84.6	0	0	0	111.3	G36 L37 L38 L43 V44	G36-L40 WeakPolarHBondContact O-CB 3.45Å; G36-L40 PolarHBondContact O-N 3.38Å; L37-L40 PolarHBondContact O-N 3.42Å; L38-L40 VanDerWaalsContact C-N 3.35Å; L40-L43 PolarHBondContact O-N 3.41Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 3.47Å
41	C	83.3	Confident	72.4	Confident	82 Å²	82	105.2 Å²	105.2	55%	0.554	55%	0.549	S	S	*	.	H	α-helix	trans	-63.2	-40.8	176.3	-73	0	0	0	0	112.3	L37 L38 V44 F45	L37-C41 PolarHBondContact O-N 3.37Å; L37-C41 PolarHBondContact O-SG 3.4Å; L38-C41 PolarHBondContact O-N 3.4Å; C41-V44 PolarHBondContact O-N 2.99Å; C41-F45 WeakPolarHBondContact O-CB 3.32Å; C41-F45 PolarHBondContact O-N 3.13Å
42	L	82.1	Confident	72.2	Confident	94 Å²	94	104.5 Å²	104.5	49%	0.492	55%	0.552	S	S	.	*	H	α-helix	trans	-63.2	-41.7	174.9	-109.3	150.9	0	0	0	112	L38 M39 F45 V46	L38-L42 PolarHBondContact O-N 2.91Å; M39-L42 PolarHBondContact O-N 2.77Å; L42-F45 PolarHBondContact O-N 3.24Å; L42-V46 VanDerWaalsContact O-CG2 3.28Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.29Å
43	L	81.4	Confident	71.9	Confident	110 Å²	110	107.2 Å²	107.2	58%	0.576	56%	0.559	S	S	*	*	H	α-helix	trans	-62.4	-45.5	175.3	-109.4	155.6	0	0	0	112.1	M39 L40 F45 V46 V47	M39-L43 WeakPolarHBondContact O-CB 3.32Å; M39-L43 PolarHBondContact O-N 2.99Å; L40-L43 PolarHBondContact O-N 3.41Å; L43-F45 VanDerWaalsContact C-N 3.31Å; L43-F45 PolarHBondContact O-N 3.02Å; L43-V46 PolarHBondContact O-N 3.5Å; L43-V47 WeakPolarHBondContact O-CB 3.44Å; L43-V47 VanDerWaalsContact O-CG2 3.24Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 3.43Å
44	V	79.8	Confident	70.9	Confident	86 Å²	86	102.8 Å²	102.8	52%	0.521	56%	0.556	S	S	.	*	H	α-helix	trans	-62.9	-39.6	177.5	172.4	0	0	0	0	111.1	L40 C41 V47 F48	L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 3.47Å; C41-V44 PolarHBondContact O-N 2.99Å; V44-V47 PolarHBondContact O-N 3.04Å; V44-F48 WeakPolarHBondContact O-CB 3.25Å; V44-F48 PolarHBondContact O-N 3.42Å
45	F	79.5	Confident	69.9	Low	132 Å²	132	103.9 Å²	103.9	58%	0.579	57%	0.573	S	S	*	*	H	α-helix	trans	-67.9	-42.3	178.2	-172.1	-105.6	0	0	0	112.4	C41 L42 L43 V47 F48 L49	C41-F45 WeakPolarHBondContact O-CB 3.32Å; C41-F45 PolarHBondContact O-N 3.13Å; L42-F45 PolarHBondContact O-N 3.24Å; L43-F45 VanDerWaalsContact C-N 3.31Å; L43-F45 PolarHBondContact O-N 3.02Å; F45-V47 VanDerWaalsContact C-N 3.34Å; F45-V47 PolarHBondContact O-N 3.37Å; F45-F48 PolarHBondContact O-N 2.97Å; F45-L49 HydrophobicContact CD1-CD1 3.8Å; F45-L49 HydrophobicContact CD1-CG 4.42Å; F45-L49 HydrophobicContact CE1-CD1 3.37Å; F45-L49 HydrophobicContact CE1-CG 4.15Å; F45-L49 HydrophobicContact CZ-CD1 3.89Å; F45-L49 HydrophobicContact CZ-CD2 4.48Å; F45-L49 HydrophobicContact CZ-CG 4.3Å; F45-L49 WeakPolarHBondContact O-CG 3.45Å; F45-L49 PolarHBondContact O-N 3.05Å
46	V	76	Confident	68.1	Low	85 Å²	85	105.2 Å²	105.2	52%	0.515	59%	0.588	S	S	.	*	H	α-helix	trans	-64	-39.6	175.2	170.9	0	0	0	0	111.3	L42 L43 L49 A50	L42-V46 VanDerWaalsContact O-CG2 3.28Å; L42-V46 WeakPolarHBondContact O-CG2 3.49Å; L42-V46 PolarHBondContact O-N 3.29Å; L43-V46 PolarHBondContact O-N 3.5Å; V46-L49 PolarHBondContact O-N 2.96Å; V46-A50 VanDerWaalsContact O-CB 3.31Å; V46-A50 WeakPolarHBondContact O-CB 3.47Å; V46-A50 PolarHBondContact O-N 3.49Å
47	V	72.4	Confident	65.9	Low	69 Å²	69	107.5 Å²	107.5	42%	0.418	60%	0.597	S	S	.	*	H	α-helix	trans	-63.1	-44.3	173.7	170.4	0	0	0	0	110.6	L43 V44 F45 L49 A50 F51	L43-V47 WeakPolarHBondContact O-CB 3.44Å; L43-V47 VanDerWaalsContact O-CG2 3.24Å; L43-V47 WeakPolarHBondContact O-CG2 3.36Å; L43-V47 PolarHBondContact O-N 3.43Å; V44-V47 PolarHBondContact O-N 3.04Å; F45-V47 VanDerWaalsContact C-N 3.34Å; F45-V47 PolarHBondContact O-N 3.37Å; V47-L49 VanDerWaalsContact C-N 3.34Å; V47-L49 PolarHBondContact O-N 3.08Å; V47-A50 PolarHBondContact O-N 3.17Å; V47-F51 HydrophobicContact CG1-CD2 3.65Å; V47-F51 HydrophobicContact CG1-CE2 3.71Å; V47-F51 VanDerWaalsContact O-CD2 3.23Å; V47-F51 WeakPolarHBondContact O-CD2 3.08Å; V47-F51 PolarHBondContact O-N 3.06Å
48	F	70.5	Confident	64	Low	153 Å²	153	116.2 Å²	116.2	67%	0.671	63%	0.626	S	S	*	*	H	α-helix	trans	-62.3	-39.5	178	-121.1	-90.6	0	0	0	113	V44 F45 F51 S52	V44-F48 WeakPolarHBondContact O-CB 3.25Å; V44-F48 PolarHBondContact O-N 3.42Å; F45-F48 PolarHBondContact O-N 2.97Å; F48-F51 PolarHBondContact O-N 3.08Å; F48-S52 WeakPolarHBondContact O-CB 3.41Å; F48-S52 PolarHBondContact O-N 3.11Å; F48-S52 VanDerWaalsContact O-N 3.13Å
49	L	63.3	Low	62	Low	98 Å²	98	116.6 Å²	116.6	51%	0.513	64%	0.636	S	S	.	*	H	α-helix	trans	-70	-38.9	175.3	-70.1	177.2	0	0	0	112	F45 V46 V47 F51 S52	F45-L49 HydrophobicContact CD1-CD1 3.8Å; F45-L49 HydrophobicContact CD1-CG 4.42Å; F45-L49 HydrophobicContact CE1-CD1 3.37Å; F45-L49 HydrophobicContact CE1-CG 4.15Å; F45-L49 HydrophobicContact CZ-CD1 3.89Å; F45-L49 HydrophobicContact CZ-CD2 4.48Å; F45-L49 HydrophobicContact CZ-CG 4.3Å; F45-L49 WeakPolarHBondContact O-CG 3.45Å; F45-L49 PolarHBondContact O-N 3.05Å; V46-L49 PolarHBondContact O-N 2.96Å; V47-L49 VanDerWaalsContact C-N 3.34Å; V47-L49 PolarHBondContact O-N 3.08Å; L49-F51 VanDerWaalsContact C-N 3.28Å; L49-F51 PolarHBondContact O-N 3.33Å; L49-S52 PolarHBondContact O-N 2.55Å; L49-S52 VanDerWaalsContact O-N 3.15Å
50	A	59.4	Low	60	Low	68 Å²	68	118.6 Å²	118.6	56%	0.562	64%	0.644	S	S	*	*	H	α-helix	trans	-66.1	-28.5	175.8	0	0	0	0	0	113.2	V46 V47	V46-A50 VanDerWaalsContact O-CB 3.31Å; V46-A50 WeakPolarHBondContact O-CB 3.47Å; V46-A50 PolarHBondContact O-N 3.49Å; V47-A50 PolarHBondContact O-N 3.17Å
51	F	54.3	Low	58.2	Low	167 Å²	167	118.1 Å²	118.1	73%	0.732	65%	0.646	S	S	*	*	H	α-helix	trans	-86	-13.1	173.3	-84	-73.3	0	0	0	114	V47 F48 L49	V47-F51 HydrophobicContact CG1-CD2 3.65Å; V47-F51 HydrophobicContact CG1-CE2 3.71Å; V47-F51 VanDerWaalsContact O-CD2 3.23Å; V47-F51 WeakPolarHBondContact O-CD2 3.08Å; V47-F51 PolarHBondContact O-N 3.06Å; F48-F51 PolarHBondContact O-N 3.08Å; L49-F51 VanDerWaalsContact C-N 3.28Å; L49-F51 PolarHBondContact O-N 3.33Å
52	S	53	Low	56.3	Low	94 Å²	94	122.1 Å²	122.1	66%	0.657	65%	0.654	S	S	*	*	H	α-helix	trans	-83.6	-19.5	178.2	-172.3	0	0	0	0	112.8	F48 L49	F48-S52 WeakPolarHBondContact O-CB 3.41Å; F48-S52 PolarHBondContact O-N 3.11Å; F48-S52 VanDerWaalsContact O-N 3.13Å; L49-S52 PolarHBondContact O-N 2.55Å; L49-S52 VanDerWaalsContact O-N 3.15Å
53	D	51.5	Low	54.3	Low	151 Å²	151	121 Å²	121	81%	0.807	65%	0.653	S	S	*	*	S	Bend	trans	-124.6	69.3	-174.4	-118.3	-9.6	0	0	0	111.2
54	S	40.5	Very low	52.2	Low	86 Å²	86	121.4 Å²	121.4	60%	0.601	66%	0.656	S	S	*	*			trans	-151.8	100.7	157.9	59.2	0	0	0	0	109.8	L56	S54-L56 PolarHBondContact O-N 3.46Å; S54-L56 VanDerWaalsContact O-N 3.15Å
55	T	50.5	Low	50.3	Low	140 Å²	140	123.9 Å²	123.9	86%	0.859	66%	0.662	S	S	*	*			trans	-56.8	106.7	162.2	48.3	0	0	0	0	109.5
56	L	36.8	Very low	48.3	Very low	169 Å²	169	125.1 Å²	125.1	89%	0.885	66%	0.662	S	S	*	*			trans	-153.6	159.3	167.7	-133.5	77.7	0	0	0	112.6	S54	S54-L56 PolarHBondContact O-N 3.46Å; S54-L56 VanDerWaalsContact O-N 3.15Å
57	S	32.3	Very low	46.5	Very low	91 Å²	91	126.3 Å²	126.3	64%	0.636	66%	0.662	S	S	*	*			trans	-67.6	154.9	-143.2	56.8	0	0	0	0	121.1	S59	S57-S59 VanDerWaalsContact C-N 3.31Å; S57-S59 PolarHBondContact O-N 2.92Å
58	W	38.8	Very low	44.8	Very low	251 Å²	251	130.7 Å²	130.7	95%	0.951	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	41.9	-176.8	-113	60.2	0	0	0	117.7
59	S	38	Very low	43.2	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	11.2	176.5	62.3	0	0	0	0	116.6	S57	S57-S59 VanDerWaalsContact C-N 3.31Å; S57-S59 PolarHBondContact O-N 2.92Å
60	E	37.9	Very low	41.9	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.752	68%	0.677	S	S	*	*	S	Bend	trans	-122.9	6.1	174	-66.1	-153.5	152.1	0	0	115.3	F62 S63	E60-F62 PolarHBondContact O-N 3.34Å; E60-S63 PolarHBondContact O-N 3.44Å
61	T	40.8	Very low	40.6	Very low	98 Å²	98	138 Å²	138	60%	0.601	69%	0.685	S	S	*	*	H	α-helix	trans	-68.2	-10	170.9	22.8	0	0	0	0	113.9	S63	T61-S63 VanDerWaalsContact C-N 3.35Å; T61-S63 PolarHBondContact O-N 3.08Å
62	F	42.9	Very low	39.7	Very low	165 Å²	165	136.8 Å²	136.8	72%	0.724	68%	0.68	S	S	*	*	H	α-helix	trans	-82.9	-4.7	179.1	-102.4	-86.3	0	0	0	115.3	E60	E60-F62 PolarHBondContact O-N 3.34Å
63	S	41	Very low	38.8	Very low	70 Å²	70	139.2 Å²	139.2	49%	0.49	69%	0.685	S	S	.	*	H	α-helix	trans	-97.2	-39.5	178.7	177.8	0	0	0	0	112.4	E60 T61 R66 Q67	E60-S63 PolarHBondContact O-N 3.44Å; T61-S63 VanDerWaalsContact C-N 3.35Å; T61-S63 PolarHBondContact O-N 3.08Å; S63-R66 PolarHBondContact O-N 2.94Å; S63-Q67 PolarHBondContact O-N 2.86Å; S63-Q67 VanDerWaalsContact O-N 3.12Å
64	L	37.3	Very low	37.9	Very low	119 Å²	119	139 Å²	139	62%	0.623	68%	0.679	S	S	*	*	H	α-helix	trans	-73.1	-29.4	-177.8	-84.4	156.2	0	0	0	113.3	R66 Q67 Y68	L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 2.94Å; L64-Q67 PolarHBondContact O-N 3.47Å; L64-Y68 WeakPolarHBondContact O-CB 3.3Å; L64-Y68 PolarHBondContact O-N 2.93Å
65	Q	40.6	Very low	37.8	Very low	138 Å²	138	140.1 Å²	140.1	65%	0.645	69%	0.687	S	S	*	*	H	α-helix	trans	-69	-30.1	173.1	-162.4	165.6	-18.6	0	0	112.2	Q69	Q65-Q69 PolarHBondContact O-N 2.78Å; Q65-Q69 VanDerWaalsContact O-N 3.12Å
66	R	37.4	Very low	36.7	Very low	158 Å²	158	139.7 Å²	139.7	60%	0.596	68%	0.678	S	S	*	*	H	α-helix	trans	-76.1	-32.1	175.2	-121.3	-175.9	-74.9	-143.5	0.3	112.3	S63 L64 R70	S63-R66 PolarHBondContact O-N 2.94Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 2.94Å; R66-R70 WeakPolarHBondContact O-CG 3.45Å; R66-R70 PolarHBondContact O-N 3.3Å
67	Q	36.6	Very low	36.4	Very low	110 Å²	110	139.9 Å²	139.9	51%	0.514	67%	0.674	S	S	.	*	H	α-helix	trans	-77	-34.8	170.8	-86.1	179.4	-14.7	0	0	112.8	S63 L64 Q69 R70 F71	S63-Q67 PolarHBondContact O-N 2.86Å; S63-Q67 VanDerWaalsContact O-N 3.12Å; L64-Q67 PolarHBondContact O-N 3.47Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 2.98Å; Q67-R70 PolarHBondContact O-N 2.92Å; Q67-F71 PolarHBondContact O-N 3.23Å
68	Y	36.4	Very low	36.1	Very low	162 Å²	162	140.2 Å²	140.2	64%	0.635	67%	0.672	S	S	*	*	H	α-helix	trans	-62.4	-40.1	173.4	-145.4	-93.4	0	0	0	111.5	L64 R70 F72	L64-Y68 WeakPolarHBondContact O-CB 3.3Å; L64-Y68 PolarHBondContact O-N 2.93Å; Y68-R70 VanDerWaalsContact C-N 3.34Å; Y68-R70 PolarHBondContact O-N 3.43Å; Y68-F72 HydrophobicContact CD1-CD2 4.05Å; Y68-F72 HydrophobicContact CD1-CE2 4.17Å; Y68-F72 AromaticContact CE1-CD2 3.95Å; Y68-F72 HydrophobicContact CE1-CD2 3.95Å; Y68-F72 AromaticContact CE1-CE2 3.59Å; Y68-F72 HydrophobicContact CE1-CE2 3.59Å; Y68-F72 PolarHBondContact O-N 2.75Å
69	Q	38.7	Very low	35.7	Very low	130 Å²	130	135.2 Å²	135.2	61%	0.607	66%	0.664	S	S	*	*	H	α-helix	trans	-68	-27.4	171.3	-80.2	-175.9	-29.1	0	0	113.8	Q65 Q67 N73	Q65-Q69 PolarHBondContact O-N 2.78Å; Q65-Q69 VanDerWaalsContact O-N 3.12Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 2.98Å; Q69-N73 WeakPolarHBondContact O-CB 3.36Å; Q69-N73 PolarHBondContact O-N 2.91Å
70	R	35.1	Very low	35.3	Very low	175 Å²	175	135.8 Å²	135.8	66%	0.66	66%	0.664	S	S	*	*	H	α-helix	trans	-78.6	-36.8	175.2	-79.5	177.8	176.4	171.4	-0.8	112.5	R66 Q67 Y68 N73 Q74	R66-R70 WeakPolarHBondContact O-CG 3.45Å; R66-R70 PolarHBondContact O-N 3.3Å; Q67-R70 PolarHBondContact O-N 2.92Å; Y68-R70 VanDerWaalsContact C-N 3.34Å; Y68-R70 PolarHBondContact O-N 3.43Å; R70-N73 PolarHBondContact O-N 3.36Å; R70-Q74 PolarHBondContact O-N 3.5Å
71	F	31.3	Very low	34.7	Very low	166 Å²	166	134.1 Å²	134.1	73%	0.728	67%	0.667	S	S	*	*	H	α-helix	trans	-69.2	-37.3	177.5	-119.5	-88.1	0	0	0	112.4	Q67 N73 Q74	Q67-F71 PolarHBondContact O-N 3.23Å; F71-N73 VanDerWaalsContact C-N 3.3Å; F71-N73 PolarHBondContact O-N 3.31Å; F71-Q74 PolarHBondContact O-N 3.18Å
72	F	36.4	Very low	34.2	Very low	143 Å²	143	133.5 Å²	133.5	63%	0.627	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-14.1	172.8	-90.4	-84.3	0	0	0	114.3	Y68	Y68-F72 HydrophobicContact CD1-CD2 4.05Å; Y68-F72 HydrophobicContact CD1-CE2 4.17Å; Y68-F72 AromaticContact CE1-CD2 3.95Å; Y68-F72 HydrophobicContact CE1-CD2 3.95Å; Y68-F72 AromaticContact CE1-CE2 3.59Å; Y68-F72 HydrophobicContact CE1-CE2 3.59Å; Y68-F72 PolarHBondContact O-N 2.75Å
73	N	33.9	Very low	33.9	Very low	145 Å²	145	132.7 Å²	132.7	78%	0.775	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-3.7	172.9	-96.6	-10.5	0	0	0	113.6	Q69 R70 F71	Q69-N73 WeakPolarHBondContact O-CB 3.36Å; Q69-N73 PolarHBondContact O-N 2.91Å; R70-N73 PolarHBondContact O-N 3.36Å; F71-N73 VanDerWaalsContact C-N 3.3Å; F71-N73 PolarHBondContact O-N 3.31Å
74	Q	33.2	Very low	33.5	Very low	145 Å²	145	136.8 Å²	136.8	68%	0.678	68%	0.681	S	S	*	*	S	Bend	trans	-110	93.6	173.3	-80.5	179.9	-24.9	0	0	110	R70 F71	R70-Q74 PolarHBondContact O-N 3.5Å; F71-Q74 PolarHBondContact O-N 3.18Å
75	S	37.1	Very low	33.5	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	69%	0.685	S	S	*	*			trans	49.2	77.1	156.2	57.6	0	0	0	0	116.9
76	I	27.6	Very low	33.3	Very low	131 Å²	131	134.7 Å²	134.7	67%	0.672	68%	0.677	S	S	*	*			trans	-106.9	97.1	135.5	-53.8	-177	0	0	0	106.2	V78	I76-V78 HydrophobicContact CB-CG2 4.5Å; I76-V78 HydrophobicContact CG2-CG2 3.44Å; I76-V78 VanDerWaalsContact CG2-CG2 3.44Å; I76-V78 PolarHBondContact O-N 3.09Å
77	Q	30.3	Very low	33.2	Very low	173 Å²	173	133 Å²	133	81%	0.808	69%	0.687	S	S	*	*			trans	-66.2	83.5	155.6	-77.5	-149.7	-30.3	0	0	107.5	N79	Q77-N79 PolarHBondContact O-N 3.34Å
78	V	27.4	Very low	33.5	Very low	98 Å²	98	136.9 Å²	136.9	59%	0.594	70%	0.702	S	S	*	*			trans	-74.1	115.5	151.3	-176	0	0	0	0	104.3	I76 T80	I76-V78 HydrophobicContact CB-CG2 4.5Å; I76-V78 HydrophobicContact CG2-CG2 3.44Å; I76-V78 VanDerWaalsContact CG2-CG2 3.44Å; I76-V78 PolarHBondContact O-N 3.09Å; V78-T80 HydrophobicContact CG1-CG2 4.36Å; V78-T80 PolarHBondContact O-N 3.12Å; V78-T80 PolarHBondContact O-OG1 3.41Å
79	N	29.4	Very low	33.7	Very low	146 Å²	146	135.1 Å²	135.1	78%	0.781	70%	0.7	S	S	*	*			trans	-63.7	74.7	170.3	-83.2	-23.5	0	0	0	109.7	Q77	Q77-N79 PolarHBondContact O-N 3.34Å
80	T	29.2	Very low	33.4	Very low	109 Å²	109	138.6 Å²	138.6	67%	0.669	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-80.9	129.1	155.6	42	0	0	0	0	107.1	V78 A82	V78-T80 HydrophobicContact CG1-CG2 4.36Å; V78-T80 PolarHBondContact O-N 3.12Å; V78-T80 PolarHBondContact O-OG1 3.41Å; T80-A82 PolarHBondContact O-N 3.46Å
81	P	26.9	Very low	33.4	Very low	125 Å²	125	133.5 Å²	133.5	81%	0.812	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-57.7	119.8	-177.1	21.1	-29.8	0	0	0	109.3	Y83	P81-Y83 PolarHBondContact O-N 3.25Å
82	A	29.2	Very low	33.7	Very low	86 Å²	86	132.4 Å²	132.4	71%	0.711	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.1	172.5	0	0	0	0	0	108.3	T80 L84	T80-A82 PolarHBondContact O-N 3.46Å; A82-L84 PolarHBondContact O-N 3.2Å
83	Y	37.5	Very low	33.5	Very low	148 Å²	148	131.4 Å²	131.4	58%	0.58	70%	0.698	S	S	*	*			trans	-52.3	110.4	165.8	-71.9	-87.7	0	0	0	108.3	P81 I85 Y344	P81-Y83 PolarHBondContact O-N 3.25Å; Y83-I85 PolarHBondContact O-N 2.91Å; Y83-Y344 HydrophobicContact CD1-CD2 4.41Å; Y83-Y344 AromaticContact CD1-CE2 3.97Å; Y83-Y344 HydrophobicContact CD1-CE2 3.97Å; Y83-Y344 HydrophobicContact CE1-CE2 4.09Å
84	L	33.3	Very low	33.5	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	69%	0.693	S	S	*	*			trans	-68.1	99.7	170	-86.4	157	0	0	0	107.4	A82 P86	A82-L84 PolarHBondContact O-N 3.2Å; L84-P86 VanDerWaalsContact O-CD 3.29Å; L84-P86 WeakPolarHBondContact O-CD 3.41Å
85	I	36.3	Very low	33.6	Very low	138 Å²	138	129.1 Å²	129.1	71%	0.708	70%	0.695	S	S	*	*			trans	-65	119.4	165.2	-61.2	172.8	0	0	0	106.7	Y83 H89	Y83-I85 PolarHBondContact O-N 2.91Å; I85-H89 HydrophobicContact CG2-CB 4.41Å
86	P	36.6	Very low	33.5	Very low	75 Å²	75	130.5 Å²	130.5	49%	0.487	69%	0.691	S	S	.	*			trans	-62.3	142.6	178.3	-22.1	33.4	0	0	0	111.5	L84 K88 H89	L84-P86 VanDerWaalsContact O-CD 3.29Å; L84-P86 WeakPolarHBondContact O-CD 3.41Å; P86-K88 PolarHBondContact O-N 2.62Å; P86-H89 PolarHBondContact O-N 3.19Å
87	P	35.2	Very low	33.9	Very low	123 Å²	123	133.6 Å²	133.6	80%	0.799	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-64.1	-10.1	-171.2	19.6	-29.6	0	0	0	115.5
88	K	42.1	Very low	34	Very low	191 Å²	191	134 Å²	134	83%	0.83	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-83.7	-11.5	177.5	-74.2	-172.5	176.2	-178.3	0	115.1	P86	P86-K88 PolarHBondContact O-N 2.62Å
89	H	41.8	Very low	34.6	Very low	126 Å²	126	138.7 Å²	138.7	58%	0.583	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-87	-7.6	176.5	-82.1	-71	0	0	0	114.8	I85 P86 A91	I85-H89 HydrophobicContact CG2-CB 4.41Å; P86-H89 PolarHBondContact O-N 3.19Å; H89-A91 VanDerWaalsContact C-N 3.33Å
90	R	32.8	Very low	34.9	Very low	202 Å²	202	138.3 Å²	138.3	76%	0.762	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-26.7	175.4	-157.5	176.5	-163.9	178	4.5	112.6
91	A	34.3	Very low	35.4	Very low	68 Å²	68	139.6 Å²	139.6	56%	0.562	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-33.4	-177.5	0	0	0	0	0	113.2	H89 L93 N94 T95	H89-A91 VanDerWaalsContact C-N 3.33Å; A91-L93 PolarHBondContact O-N 2.83Å; A91-N94 PolarHBondContact O-N 3.09Å; A91-T95 PolarHBondContact O-OG1 3.41Å
92	F	38.3	Very low	36.1	Very low	143 Å²	143	139.2 Å²	139.2	63%	0.627	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-73	-26.8	-179	-160.5	-94.9	0	0	0	113.1	N94 T95 M96	F92-N94 VanDerWaalsContact C-N 3.28Å; F92-N94 PolarHBondContact O-N 2.9Å; F92-T95 PolarHBondContact O-N 2.9Å; F92-M96 HydrophobicContact CE1-CE 4.38Å
93	L	32.1	Very low	36.2	Very low	123 Å²	123	141.2 Å²	141.2	64%	0.644	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-70.5	-22.8	178.3	-75	165.6	0	0	0	113.2	A91	A91-L93 PolarHBondContact O-N 2.83Å
94	N	32.9	Very low	36.7	Very low	126 Å²	126	140.2 Å²	140.2	67%	0.674	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-84.5	-14.9	-178.9	-70.8	-15.6	0	0	0	113.1	A91 F92	A91-N94 PolarHBondContact O-N 3.09Å; F92-N94 VanDerWaalsContact C-N 3.28Å; F92-N94 PolarHBondContact O-N 2.9Å
95	T	34.8	Very low	37	Very low	115 Å²	115	141.6 Å²	141.6	71%	0.706	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-11.9	-178.2	-29.1	0	0	0	0	113.3	A91 F92	A91-T95 PolarHBondContact O-OG1 3.41Å; F92-T95 PolarHBondContact O-N 2.9Å
96	M	35.1	Very low	37.1	Very low	139 Å²	139	138.6 Å²	138.6	69%	0.685	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	16	177.6	-67.2	-151.3	-73.1	0	0	114.2	F92 E98	F92-M96 HydrophobicContact CE1-CE 4.38Å; M96-E98 PolarHBondContact O-N 2.94Å
97	K	35.8	Very low	37.3	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	75%	0.746	S	S	*	*			trans	-87.6	66.1	165.5	-84	-173.2	176.2	179.9	0	109.8
98	E	32.6	Very low	37.7	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	75%	0.751	S	S	*	*			trans	-126.9	132.2	157.4	-156	164.1	-157.7	0	0	109.5	M96	M96-E98 PolarHBondContact O-N 2.94Å
99	K	40.8	Very low	38.2	Very low	196 Å²	196	137.7 Å²	137.7	85%	0.852	73%	0.725	S	S	*	*			trans	-62.6	137.7	-162.6	-75.6	169.4	172.9	173.7	0	112.1
100	T	34.5	Very low	39	Very low	137 Å²	137	134.6 Å²	134.6	84%	0.84	71%	0.71	S	S	*	*			trans	-152.6	121.1	138.9	-9.5	0	0	0	0	109.2
101	T	40.7	Very low	40.1	Very low	137 Å²	137	128 Å²	128	84%	0.84	69%	0.688	S	S	*	*			trans	-82.8	130.4	170	-30.9	0	0	0	0	107.9
102	P	42	Very low	41.3	Very low	116 Å²	116	124.9 Å²	124.9	75%	0.753	66%	0.662	S	S	*	*			trans	-111	133	164.5	23.1	-6	0	0	0	112.3
103	T	31.1	Very low	42.3	Very low	128 Å²	128	124 Å²	124	79%	0.785	66%	0.656	S	S	*	*			trans	-65.3	149.8	161.7	-32.4	0	0	0	0	109.4	E105	T103-E105 PolarHBondContact O-N 2.62Å; T103-E105 VanDerWaalsContact O-N 3.07Å
104	P	47.1	Very low	43.5	Very low	127 Å²	127	123 Å²	123	83%	0.825	66%	0.657	S	S	*	*			trans	-84.3	92.1	-163.4	32.4	-32.4	0	0	0	112.5
105	E	39.5	Very low	45	Very low	185 Å²	185	122.4 Å²	122.4	86%	0.864	65%	0.65	S	S	*	*			trans	-79.2	140.9	151.6	-73.6	179.6	172.3	0	0	108.5	T103 L107	T103-E105 PolarHBondContact O-N 2.62Å; T103-E105 VanDerWaalsContact O-N 3.07Å; E105-L107 PolarHBondContact O-N 3.28Å
106	G	39.8	Very low	46.9	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	66%	0.656	S	S	*	*			trans	-45.1	128.9	-171.2	0	0	0	0	0	112.9	Q108	G106-Q108 PolarHBondContact O-N 2.98Å
107	L	39.2	Very low	49.3	Very low	106 Å²	106	120.3 Å²	120.3	56%	0.555	63%	0.633	S	S	*	*			trans	-54.5	96.9	-177.5	-87.3	134.2	0	0	0	110.7	E105 Y109	E105-L107 PolarHBondContact O-N 3.28Å; L107-Y109 HydrophobicContact CB-CD1 4.48Å; L107-Y109 HydrophobicContact CB-CE1 3.94Å; L107-Y109 HydrophobicContact CB-CE2 4.3Å; L107-Y109 HydrophobicContact CD2-CE1 4.08Å; L107-Y109 WeakPolarHBondContact O-CD2 3.22Å; L107-Y109 PolarHBondContact O-N 2.71Å
108	Q	44.6	Very low	51.9	Low	194 Å²	194	119.8 Å²	119.8	91%	0.907	63%	0.626	S	S	*	*			trans	-74.2	94.5	171.5	-160.4	176.2	32.8	0	0	107.3	G106	G106-Q108 PolarHBondContact O-N 2.98Å
109	Y	53.1	Low	54.9	Low	69 Å²	69	112.9 Å²	112.9	27%	0.271	59%	0.593	S	S	.	*			trans	-67.6	146	176.5	-60.1	-64.2	0	0	0	110.4	L107 E111 P276 E278	L107-Y109 HydrophobicContact CB-CD1 4.48Å; L107-Y109 HydrophobicContact CB-CE1 3.94Å; L107-Y109 HydrophobicContact CB-CE2 4.3Å; L107-Y109 HydrophobicContact CD2-CE1 4.08Å; L107-Y109 WeakPolarHBondContact O-CD2 3.22Å; L107-Y109 PolarHBondContact O-N 2.71Å; Y109-E111 PolarHBondContact O-N 3.42Å; Y109-P276 HydrophobicContact CD1-CB 3.82Å; Y109-P276 HydrophobicContact CD1-CG 3.4Å; Y109-P276 HydrophobicContact CE1-CB 3.88Å; Y109-P276 HydrophobicContact CE1-CG 3.95Å; Y109-P276 HydrophobicContact CG-CB 4.22Å; Y109-P276 HydrophobicContact CG-CG 3.82Å; Y109-E278 HydrophobicContact CE2-CB 4.41Å; Y109-E278 HydrophobicContact CE2-CG 4.16Å; Y109-E278 PolarHBondContact OH-OE1 3.1Å
110	H	57.4	Low	57.4	Low	61 Å²	61	107.3 Å²	107.3	28%	0.282	58%	0.576	S	S	.	*			trans	-74.1	98.2	175.2	-175.7	-72.3	0	0	0	110.4	L203 N204	H110-L203 HydrophobicContact CB-CD1 4.14Å; H110-L203 WeakPolarHBondContact CD2-CB 3.32Å; H110-L203 WeakPolarHBondContact CE1-CB 3.45Å; H110-L203 PolarHBondContact CE1-O 2.95Å; H110-L203 PolarHBondContact ND1-O 3.4Å; H110-L203 WeakPolarHBondContact NE2-CB 3.23Å; H110-N204 PolarHBondContact CE1-OD1 3.11Å; H110-N204 PolarHBondContact NE2-OD1 3.41Å
111	E	57.6	Low	60.3	Low	63 Å²	63	101.8 Å²	101.8	29%	0.294	54%	0.54	S	S	.	.			trans	-86.3	126.7	167.2	-173.1	157.4	-134.7	0	0	108.7	Y109 Y113 M279 K312 P313	Y109-E111 PolarHBondContact O-N 3.42Å; E111-Y113 HydrophobicContact CB-CD2 4.31Å; E111-Y113 PolarHBondContact O-N 3.43Å; E111-M279 HydrophobicContact CB-CE 3.99Å; E111-M279 HydrophobicContact CG-CE 3.96Å; E111-K312 WeakPolarHBondContact OE1-CE 3.36Å; E111-P313 HydrophobicContact CG-CG 4.35Å
112	A	59.2	Low	62.8	Low	3 Å²	3	97 Å²	97	3%	0.025	51%	0.51	C	S	.	.			trans	-70.7	84	171.7	0	0	0	0	0	107.8	T206 I207 P313	A112-T206 HydrophobicContact CB-CG2 4.14Å; A112-I207 HydrophobicContact CB-CD1 4.34Å; A112-I207 HydrophobicContact CB-CG1 4.16Å; A112-P313 HydrophobicContact CB-CB 3.96Å; A112-P313 HydrophobicContact CB-CG 4.39Å; A112-P313 WeakPolarHBondContact O-CB 3.48Å; A112-P313 WeakPolarHBondContact O-CG 3.07Å
113	Y	58.6	Low	65.2	Low	125 Å²	125	92.8 Å²	92.8	49%	0.49	48%	0.481	S	S	.	.			trans	-53	125	-169.1	-112.9	-96.7	0	0	0	112.1	E111 H115 Y117	E111-Y113 HydrophobicContact CB-CD2 4.31Å; E111-Y113 PolarHBondContact O-N 3.43Å; Y113-H115 VanDerWaalsContact C-N 3.32Å; Y113-H115 AromaticContact CD1-CD2 3.82Å; Y113-H115 AromaticContact CD1-CE1 3.43Å; Y113-H115 VanDerWaalsContact CD1-CE1 3.43Å; Y113-H115 WeakPolarHBondContact CD1-CE1 3.48Å; Y113-H115 AromaticContact CD1-NE2 3.26Å; Y113-H115 VanDerWaalsContact CD1-NE2 3.26Å; Y113-H115 WeakPolarHBondContact CD1-NE2 3.39Å; Y113-H115 AromaticContact CE1-CE1 3.75Å; Y113-H115 AromaticContact CE1-NE2 3.82Å; Y113-H115 AromaticContact CG-NE2 3.97Å; Y113-H115 PolarHBondContact O-N 3.49Å; Y113-H115 VanDerWaalsContact O-N 3.11Å; Y113-Y117 VanDerWaalsContact O-CE2 3.29Å; Y113-Y117 WeakPolarHBondContact O-CE2 3.42Å; Y113-Y117 PolarHBondContact O-OH 3.23Å
114	P	56.5	Low	68.1	Low	103 Å²	103	88.2 Å²	88.2	67%	0.669	45%	0.453	S	S	*	.			trans	-85.6	77.1	171.2	33	-30.4	0	0	0	108.9
115	H	65.1	Low	70.2	Confident	113 Å²	113	87.2 Å²	87.2	52%	0.523	44%	0.438	S	S	.	.			trans	-82.1	160.5	164.2	-73	-50.7	0	0	0	110.5	Y113 Y117	Y113-H115 VanDerWaalsContact C-N 3.32Å; Y113-H115 AromaticContact CD1-CD2 3.82Å; Y113-H115 AromaticContact CD1-CE1 3.43Å; Y113-H115 VanDerWaalsContact CD1-CE1 3.43Å; Y113-H115 WeakPolarHBondContact CD1-CE1 3.48Å; Y113-H115 AromaticContact CD1-NE2 3.26Å; Y113-H115 VanDerWaalsContact CD1-NE2 3.26Å; Y113-H115 WeakPolarHBondContact CD1-NE2 3.39Å; Y113-H115 AromaticContact CE1-CE1 3.75Å; Y113-H115 AromaticContact CE1-NE2 3.82Å; Y113-H115 AromaticContact CG-NE2 3.97Å; Y113-H115 PolarHBondContact O-N 3.49Å; Y113-H115 VanDerWaalsContact O-N 3.11Å; H115-Y117 HydrophobicContact CB-CE1 4.1Å; H115-Y117 HydrophobicContact CB-CE2 4.25Å; H115-Y117 WeakPolarHBondContact O-CD2 3.26Å; H115-Y117 WeakPolarHBondContact O-CE2 3.47Å; H115-Y117 PolarHBondContact O-N 2.03Å
116	N	74.7	Confident	72.6	Confident	157 Å²	157	80.4 Å²	80.4	84%	0.84	41%	0.409	S	S	*	.			trans	-70.6	84.9	167	-72.8	-18.6	0	0	0	108.8
117	Y	85.8	Confident	75	Confident	52 Å²	52	77.2 Å²	77.2	20%	0.204	37%	0.374	C	S	.	.			trans	-68.3	142.5	176.3	-63.9	-68.2	0	0	0	110.6	Y113 H115 S196 N197 F198 I207 V211	Y113-Y117 VanDerWaalsContact O-CE2 3.29Å; Y113-Y117 WeakPolarHBondContact O-CE2 3.42Å; Y113-Y117 PolarHBondContact O-OH 3.23Å; H115-Y117 HydrophobicContact CB-CE1 4.1Å; H115-Y117 HydrophobicContact CB-CE2 4.25Å; H115-Y117 WeakPolarHBondContact O-CD2 3.26Å; H115-Y117 WeakPolarHBondContact O-CE2 3.47Å; H115-Y117 PolarHBondContact O-N 2.03Å; Y117-S196 WeakPolarHBondContact CB-OG 3.34Å; Y117-N197 VanDerWaalsContact CA-OD1 3.28Å; Y117-N197 WeakPolarHBondContact CA-OD1 3.29Å; Y117-F198 HydrophobicContact CD1-CB 3.7Å; Y117-F198 HydrophobicContact CE1-CB 3.39Å; Y117-I207 HydrophobicContact CD1-CG2 4.47Å; Y117-I207 HydrophobicContact CD2-CG2 3.75Å; Y117-I207 HydrophobicContact CE1-CG2 4.1Å; Y117-I207 HydrophobicContact CE2-CB 4.23Å; Y117-I207 HydrophobicContact CE2-CD1 4.46Å; Y117-I207 HydrophobicContact CE2-CG1 3.97Å; Y117-I207 HydrophobicContact CE2-CG2 3.28Å; Y117-I207 HydrophobicContact CG-CG2 4.32Å; Y117-I207 VanDerWaalsContact CZ-CG2 3.47Å; Y117-I207 WeakPolarHBondContact OH-CD1 3.39Å; Y117-V211 HydrophobicContact CD2-CG2 4.49Å; Y117-V211 HydrophobicContact CG-CG2 4.48Å
118	R	90.8	Very high	77.1	Confident	187 Å²	187	78.5 Å²	78.5	71%	0.706	38%	0.375	S	S	*	.			trans	-119.1	136.6	-178.3	-62.1	-179.3	-175.8	171.6	0.1	109	V120 S196 N197	R118-V120 PolarHBondContact O-N 3.3Å; R118-S196 WeakPolarHBondContact O-CA 3.31Å; R118-S196 PolarHBondContact O-OG 3.05Å; R118-N197 PolarHBondContact N-OD1 2.94Å; R118-N197 PolarHBondContact O-N 2.79Å; R118-N197 VanDerWaalsContact O-N 3.13Å; R118-N197 PolarHBondContact O-OD1 3.34Å
119	F	94.3	Very high	78.3	Confident	37 Å²	37	74.5 Å²	74.5	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.2	171.5	-57.9	-79.2	0	0	0	109.1	D122 I194 Q195 V211 D214 W215	F119-D122 HydrophobicContact CB-CB 3.88Å; F119-I194 HydrophobicContact CD1-CG2 3.72Å; F119-I194 HydrophobicContact CE1-CG2 3.88Å; F119-Q195 CarbonylContact C-O 3.52Å; F119-Q195 WeakPolarHBondContact CA-O 3.38Å; F119-V211 HydrophobicContact CD1-CG1 4.5Å; F119-V211 HydrophobicContact CE1-CG1 3.7Å; F119-V211 HydrophobicContact CZ-CG1 4.36Å; F119-D214 VanDerWaalsContact CE2-OD2 3.27Å; F119-D214 WeakPolarHBondContact CE2-OD2 3.36Å; F119-D214 HydrophobicContact CZ-CB 4.45Å; F119-D214 WeakPolarHBondContact CZ-OD2 3.21Å; F119-W215 AromaticContact CD1-CD1 3.9Å; F119-W215 HydrophobicContact CE1-CB 3.78Å; F119-W215 AromaticContact CE1-CD1 3.57Å; F119-W215 HydrophobicContact CE1-CG 4.08Å; F119-W215 HydrophobicContact CZ-CB 3.77Å; F119-W215 AromaticContact CZ-CD1 3.95Å; F119-W215 HydrophobicContact CZ-CG 4.3Å
120	V	93.9	Very high	79.2	Confident	79 Å²	79	76.8 Å²	76.8	48%	0.479	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-26.7	172.4	-59.9	0	0	0	0	110.9	R118 Q195 N197	R118-V120 PolarHBondContact O-N 3.3Å; V120-Q195 HydrophobicContact CG2-CB 3.67Å; V120-Q195 HydrophobicContact CG2-CG 3.54Å; V120-Q195 WeakPolarHBondContact CG2-O 3.36Å; V120-Q195 VanDerWaalsContact CG2-OE1 3.26Å; V120-Q195 PolarHBondContact N-O 2.97Å; V120-N197 HydrophobicContact CG1-CB 4.11Å
121	M	95.3	Very high	80.6	Confident	20 Å²	20	77.6 Å²	77.6	10%	0.099	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.1	163.3	-72.3	-174.5	-94	0	0	107.8	L183 N187 I194 Q195	M121-L183 HydrophobicContact CE-CB 4.29Å; M121-L183 HydrophobicContact CE-CD2 3.49Å; M121-L183 VanDerWaalsContact CE-CD2 3.49Å; M121-L183 HydrophobicContact CE-CG 3.67Å; M121-N187 HydrophobicContact SD-CB 3.63Å; M121-I194 CarbonylContact O-C 3.54Å; M121-I194 WeakPolarHBondContact O-CA 3.47Å; M121-Q195 HydrophobicContact CB-CB 4Å; M121-Q195 HydrophobicContact CE-CB 3.99Å; M121-Q195 PolarHBondContact N-O 3.45Å; M121-Q195 PolarHBondContact O-N 3.38Å
122	D	92.7	Very high	82.3	Confident	37 Å²	37	74.8 Å²	74.8	20%	0.198	38%	0.381	C	S	.	.			trans	-115.1	-38.6	-167	-171.3	21.7	0	0	0	113.1	F119 P124 W215 R219	F119-D122 HydrophobicContact CB-CB 3.88Å; D122-P124 VanDerWaalsContact C-CD 3.48Å; D122-P124 VanDerWaalsContact C-N 3.32Å; D122-W215 PolarHBondContact O-NE1 3.42Å; D122-W215 VanDerWaalsContact OD1-CD1 3.31Å; D122-W215 PolarHBondContact OD1-NE1 3.27Å; D122-R219 IonicContact OD1-CZ 2.71Å; D122-R219 VanDerWaalsContact OD1-CZ 3.23Å; D122-R219 IonicContact OD1-NE 2.69Å; D122-R219 PolarHBondContact OD1-NE 3.38Å; D122-R219 IonicContact OD1-NH1 3.17Å; D122-R219 IonicContact OD1-NH2 3.83Å; D122-R219 PolarHBondContact OD1-NH2 2.95Å; D122-R219 VanDerWaalsContact OD1-NH2 3.14Å; D122-R219 IonicContact OD2-CZ 3.59Å; D122-R219 IonicContact OD2-NE 3.61Å; D122-R219 PolarHBondContact OD2-NE 3.36Å; D122-R219 IonicContact OD2-NH2 3.4Å; D122-R219 PolarHBondContact OD2-NH2 2.81Å
123	N	93.3	Very high	84.2	Confident	28 Å²	28	76 Å²	76	15%	0.15	39%	0.385	C	S	.	.			trans	42.6	47.8	-177.3	-65.8	-38.9	0	0	0	114.4	E125 V126 N187 L193	N123-E125 PolarHBondContact O-N 3.35Å; N123-E125 VanDerWaalsContact O-N 3.08Å; N123-V126 HydrophobicContact CB-CG1 4.06Å; N123-V126 WeakPolarHBondContact O-CG1 3.45Å; N123-V126 WeakPolarHBondContact O-CG2 3.38Å; N123-V126 PolarHBondContact O-N 2.99Å; N123-N187 PolarHBondContact ND2-OD1 2.94Å; N123-N187 PolarHBondContact OD1-ND2 3.44Å; N123-L193 PolarHBondContact ND2-O 3.39Å
124	P	91.4	Very high	86.1	Confident	32 Å²	32	70 Å²	70	21%	0.208	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-65.4	-22.1	-169.8	28.9	-36.8	0	0	0	113.6	D122 V126 R219	D122-P124 VanDerWaalsContact C-CD 3.48Å; D122-P124 VanDerWaalsContact C-N 3.32Å; P124-V126 PolarHBondContact O-N 3.31Å; P124-R219 HydrophobicContact CB-CB 4.49Å; P124-R219 HydrophobicContact CB-CG 4.36Å
125	E	90.9	Very high	88.1	Confident	106 Å²	106	65.1 Å²	65.1	50%	0.495	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-65.8	-23.6	-178.2	-55.8	-51.5	122.2	0	0	113	N123 C127 K128	N123-E125 PolarHBondContact O-N 3.35Å; N123-E125 VanDerWaalsContact O-N 3.08Å; E125-C127 PolarHBondContact O-N 2.98Å; E125-C127 VanDerWaalsContact O-N 3.14Å; E125-K128 PolarHBondContact O-N 2.68Å; E125-K128 VanDerWaalsContact O-N 3.07Å; E125-K128 IonicContact OE1-NZ 2.68Å; E125-K128 PolarHBondContact OE1-NZ 3.24Å; E125-K128 WeakPolarHBondContact OE2-CD 3.49Å; E125-K128 IonicContact OE2-NZ 2.63Å
126	V	90.7	Very high	89.7	Confident	42 Å²	42	59.7 Å²	59.7	26%	0.255	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-61	-26.6	-176.5	-59.6	0	0	0	0	113.7	N123 P124 L167 L169 N191 W215	N123-V126 HydrophobicContact CB-CG1 4.06Å; N123-V126 WeakPolarHBondContact O-CG1 3.45Å; N123-V126 WeakPolarHBondContact O-CG2 3.38Å; N123-V126 PolarHBondContact O-N 2.99Å; P124-V126 PolarHBondContact O-N 3.31Å; V126-L167 HydrophobicContact CB-CD2 4.29Å; V126-L167 HydrophobicContact CG2-CD2 3.98Å; V126-L169 HydrophobicContact CB-CD2 4.48Å; V126-L169 HydrophobicContact CG2-CD1 4.06Å; V126-L169 HydrophobicContact CG2-CD2 3.92Å; V126-N191 VanDerWaalsContact CG1-O 3.28Å; V126-N191 WeakPolarHBondContact CG1-O 3.34Å; V126-W215 HydrophobicContact CG2-CH2 3.81Å; V126-W215 HydrophobicContact CG2-CZ2 3.98Å
127	C	90.6	Very high	90.8	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.047	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-102.3	-7.1	178.6	-172.6	0	0	0	0	113.4	E125 P132 L167 W215 C220	E125-C127 PolarHBondContact O-N 2.98Å; E125-C127 VanDerWaalsContact O-N 3.14Å; C127-P132 VanDerWaalsContact SG-CD 3.54Å; C127-L167 HydrophobicContact CB-CD2 4.43Å; C127-W215 HydrophobicContact CB-CH2 4.15Å; C127-C220 HydrophobicContact CB-CB 3.61Å; C127-C220 WeakPolarHBondContact CB-SG 3.5Å; C127-C220 WeakPolarHBondContact SG-CA 3.37Å; C127-C220 WeakPolarHBondContact SG-CB 3.36Å; C127-C220 CovalentContact SG-SG 2.02Å; C127-C220 PolarHBondContact SG-SG 3.41Å
128	K	83	Confident	91.5	Very high	133 Å²	133	49.8 Å²	49.8	58%	0.578	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-29.9	178.4	-67.5	-179.1	-173.4	169.2	0	113.1	E125 N130	E125-K128 PolarHBondContact O-N 2.68Å; E125-K128 VanDerWaalsContact O-N 3.07Å; E125-K128 IonicContact OE1-NZ 2.68Å; E125-K128 PolarHBondContact OE1-NZ 3.24Å; E125-K128 WeakPolarHBondContact OE2-CD 3.49Å; E125-K128 IonicContact OE2-NZ 2.63Å; K128-N130 PolarHBondContact O-N 2.66Å
129	V	70.3	Confident	91.8	Very high	111 Å²	111	41.2 Å²	41.2	67%	0.673	22%	0.224	S	C	*	.	S	Bend	trans	-76.1	-19.7	-166.5	176.3	0	0	0	0	113.7
130	N	71.6	Confident	92	Very high	116 Å²	116	39.6 Å²	39.6	62%	0.62	22%	0.217	S	C	*	.	S	Bend	trans	-165.4	131.2	164	-78.3	-56.4	0	0	0	106.1	K128 P132	K128-N130 PolarHBondContact O-N 2.66Å; N130-P132 WeakPolarHBondContact O-CD 3.4Å; N130-P132 VanDerWaalsContact O-N 3.08Å
131	S	85.9	Confident	92	Very high	79 Å²	79	37.5 Å²	37.5	55%	0.552	21%	0.208	S	C	*	.			trans	-62.4	113.2	179.6	-57.1	0	0	0	0	109.9	A222	S131-A222 WeakPolarHBondContact OG-CB 3.37Å
132	P	94.9	Very high	92	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.026	20%	0.203	C	C	.	.			trans	-73.1	145.3	-173.7	28.7	-32.2	0	0	0	110.5	C127 N130 V135 T165 L167 A223 A224	C127-P132 VanDerWaalsContact SG-CD 3.54Å; N130-P132 WeakPolarHBondContact O-CD 3.4Å; N130-P132 VanDerWaalsContact O-N 3.08Å; P132-V135 HydrophobicContact CB-CG2 4.23Å; P132-V135 HydrophobicContact CG-CG2 3.54Å; P132-T165 HydrophobicContact CB-CG2 4.16Å; P132-L167 HydrophobicContact CB-CB 4.22Å; P132-A223 HydrophobicContact CG-CB 3.93Å; P132-A223 WeakPolarHBondContact O-CA 3.34Å; P132-A223 WeakPolarHBondContact O-CB 3.5Å; P132-A224 PolarHBondContact O-N 3.47Å
133	F	97.8	Very high	92.1	Very high	27 Å²	27	37.6 Å²	37.6	12%	0.118	21%	0.214	C	C	.	.	S	Bend	trans	-67.3	-41.7	170.5	173.9	-101.1	0	0	0	110.7	E164 T165 A224 Y225 V241 L244 K245	F133-E164 HydrophobicContact CB-CB 3.7Å; F133-E164 HydrophobicContact CB-CG 4.18Å; F133-E164 HydrophobicContact CD1-CB 3.78Å; F133-E164 HydrophobicContact CD1-CG 3.84Å; F133-E164 HydrophobicContact CD2-CG 4.2Å; F133-E164 HydrophobicContact CE1-CG 4.27Å; F133-E164 HydrophobicContact CG-CB 3.79Å; F133-E164 HydrophobicContact CG-CG 3.8Å; F133-T165 WeakPolarHBondContact CB-O 3.24Å; F133-T165 PolarHBondContact N-O 3.49Å; F133-A224 HydrophobicContact CD2-CB 4.1Å; F133-A224 HydrophobicContact CE2-CB 4.44Å; F133-A224 WeakPolarHBondContact O-CB 3.37Å; F133-A224 PolarHBondContact O-N 3.2Å; F133-Y225 HydrophobicContact CE1-CD2 4.22Å; F133-Y225 AromaticContact CE2-CD2 3.98Å; F133-Y225 HydrophobicContact CE2-CD2 3.98Å; F133-Y225 AromaticContact CE2-CE2 3.87Å; F133-Y225 HydrophobicContact CE2-CE2 3.87Å; F133-Y225 AromaticContact CZ-CD2 3.78Å; F133-Y225 HydrophobicContact CZ-CD2 3.78Å; F133-Y225 AromaticContact CZ-CE2 3.77Å; F133-Y225 HydrophobicContact CZ-CE2 3.77Å; F133-Y225 PolarHBondContact O-N 3.41Å; F133-V241 HydrophobicContact CD1-CG1 4.32Å; F133-V241 HydrophobicContact CE1-CG1 3.96Å; F133-V241 HydrophobicContact CE1-CG2 4.45Å; F133-L244 HydrophobicContact CE1-CB 4Å; F133-L244 HydrophobicContact CE1-CD1 4.15Å; F133-L244 HydrophobicContact CZ-CB 3.77Å; F133-K245 HydrophobicContact CE2-CG 4.48Å; F133-K245 HydrophobicContact CZ-CG 3.97Å
134	L	98.6	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131.8	-177.2	176.8	64.2	0	0	0	111.2	L136 T165 V166 L167 Y225 M227 L240 V241 L244	L134-L136 HydrophobicContact CD1-CD2 4.36Å; L134-L136 HydrophobicContact CD2-CD2 3.8Å; L134-L136 HydrophobicContact CD2-CG 4.46Å; L134-L136 HydrophobicContact CG-CD2 3.98Å; L134-L136 HydrophobicContact CG-CG 4.46Å; L134-T165 PolarHBondContact N-O 3.2Å; L134-V166 HydrophobicContact CB-CG1 4.38Å; L134-V166 HydrophobicContact CB-CG2 4.3Å; L134-V166 HydrophobicContact CD2-CG1 4.27Å; L134-V166 HydrophobicContact CG-CG1 4.37Å; L134-V166 WeakPolarHBondContact O-CA 3.41Å; L134-L167 PolarHBondContact O-N 2.74Å; L134-Y225 WeakPolarHBondContact CA-O 3.45Å; L134-M227 HydrophobicContact CD1-CB 4.35Å; L134-L240 HydrophobicContact CD2-CD2 3.65Å; L134-L240 HydrophobicContact CD2-CG 4.04Å; L134-V241 HydrophobicContact CD2-CG2 4.25Å; L134-L244 HydrophobicContact CD1-CD1 4.24Å
135	V	98.4	Very high	92.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.5	169.5	-169.4	0	0	0	0	110.2	P132 M137 L167 L169 L216 A223 Y225 A226 M227	P132-V135 HydrophobicContact CB-CG2 4.23Å; P132-V135 HydrophobicContact CG-CG2 3.54Å; V135-M137 HydrophobicContact CG1-CG 4.2Å; V135-M137 HydrophobicContact CG1-SD 3.61Å; V135-L167 CarbonylContact C-O 3.29Å; V135-L167 WeakPolarHBondContact CA-O 3.49Å; V135-L167 HydrophobicContact CG1-CD2 4.47Å; V135-L169 HydrophobicContact CG1-CD1 4.07Å; V135-L216 HydrophobicContact CB-CD2 4.15Å; V135-L216 HydrophobicContact CG1-CD2 4.13Å; V135-L216 HydrophobicContact CG2-CD2 4.41Å; V135-A223 HydrophobicContact CG2-CB 3.76Å; V135-Y225 PolarHBondContact N-O 3.42Å; V135-A226 HydrophobicContact CB-CB 4.29Å; V135-A226 CarbonylContact O-C 3.51Å; V135-A226 WeakPolarHBondContact O-CA 3.43Å; V135-M227 PolarHBondContact O-N 2.69Å
136	L	98.9	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	108.7	173.9	-56.7	177.7	0	0	0	108.9	L134 W155 V166 L167 T168 L169 M227 L235 V237 L240	L134-L136 HydrophobicContact CD1-CD2 4.36Å; L134-L136 HydrophobicContact CD2-CD2 3.8Å; L134-L136 HydrophobicContact CD2-CG 4.46Å; L134-L136 HydrophobicContact CG-CD2 3.98Å; L134-L136 HydrophobicContact CG-CG 4.46Å; L136-W155 HydrophobicContact CD1-CE3 4.23Å; L136-W155 HydrophobicContact CD1-CZ3 4.06Å; L136-V166 HydrophobicContact CD1-CG1 3.96Å; L136-V166 HydrophobicContact CG-CG1 4.06Å; L136-L167 PolarHBondContact N-O 3.33Å; L136-T168 HydrophobicContact CB-CG2 4.38Å; L136-L169 PolarHBondContact O-N 2.97Å; L136-M227 HydrophobicContact CD2-CB 3.87Å; L136-M227 HydrophobicContact CD2-CG 4.46Å; L136-M227 HydrophobicContact CD2-SD 4.13Å; L136-L235 HydrophobicContact CD1-CD2 3.88Å; L136-L235 HydrophobicContact CD2-CD2 3.89Å; L136-V237 HydrophobicContact CD1-CG2 4.06Å; L136-L240 HydrophobicContact CD2-CD2 4.25Å
137	M	98.8	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	94.1	179.4	-59	-65.3	-79.6	0	0	109	V135 L169 V171 I194 I212 W215 L216 M227 K228 V229	V135-M137 HydrophobicContact CG1-CG 4.2Å; V135-M137 HydrophobicContact CG1-SD 3.61Å; M137-L169 HydrophobicContact SD-CB 4.23Å; M137-L169 HydrophobicContact SD-CD1 4.19Å; M137-V171 HydrophobicContact CE-CG2 3.77Å; M137-I194 HydrophobicContact CE-CD1 3.78Å; M137-I194 HydrophobicContact SD-CD1 4.47Å; M137-I212 HydrophobicContact CB-CD1 4.12Å; M137-I212 HydrophobicContact CB-CG1 4.18Å; M137-I212 HydrophobicContact CB-CG2 3.76Å; M137-I212 HydrophobicContact CE-CB 4.21Å; M137-I212 HydrophobicContact CE-CG1 4.11Å; M137-I212 HydrophobicContact CE-CG2 3.85Å; M137-I212 HydrophobicContact CG-CG2 3.75Å; M137-W215 HydrophobicContact CE-CB 4.49Å; M137-W215 HydrophobicContact CE-CD2 4.44Å; M137-W215 HydrophobicContact CE-CE3 3.93Å; M137-W215 HydrophobicContact SD-CE3 4.46Å; M137-L216 HydrophobicContact CE-CD2 4.41Å; M137-L216 HydrophobicContact CE-CG 4.17Å; M137-L216 HydrophobicContact CG-CD1 4.1Å; M137-L216 HydrophobicContact CG-CD2 4.29Å; M137-L216 HydrophobicContact CG-CG 4.38Å; M137-L216 HydrophobicContact SD-CD2 4.08Å; M137-L216 HydrophobicContact SD-CG 4.4Å; M137-M227 PolarHBondContact N-O 3.45Å; M137-K228 WeakPolarHBondContact O-CA 3.36Å; M137-V229 PolarHBondContact O-N 2.89Å
138	V	98.8	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.6	-173.5	-172.8	0	0	0	0	110.3	V140 I151 W155 T168 L169 F170 V171 V229	V138-V140 PolarHBondContact O-N 3.46Å; V138-I151 HydrophobicContact CG1-CD1 3.74Å; V138-W155 HydrophobicContact CG1-CH2 4.38Å; V138-W155 HydrophobicContact CG2-CH2 3.68Å; V138-W155 HydrophobicContact CG2-CZ3 4.07Å; V138-T168 HydrophobicContact CG2-CG2 3.78Å; V138-L169 PolarHBondContact N-O 3.46Å; V138-F170 HydrophobicContact CB-CD1 3.69Å; V138-F170 HydrophobicContact CB-CE1 4.07Å; V138-F170 HydrophobicContact CG1-CD1 3.8Å; V138-F170 HydrophobicContact CG1-CE1 3.97Å; V138-F170 HydrophobicContact CG2-CD1 4.24Å; V138-F170 HydrophobicContact CG2-CE1 4.21Å; V138-V171 PolarHBondContact O-N 2.92Å; V138-V229 CarbonylContact C-O 3.59Å; V138-V229 VanDerWaalsContact CA-O 3.32Å; V138-V229 WeakPolarHBondContact CA-O 3.37Å; V138-V229 HydrophobicContact CB-CG1 4.37Å; V138-V229 HydrophobicContact CG2-CG1 3.88Å
139	T	98.3	Very high	94.2	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	116.1	174.3	46.7	0	0	0	0	110.7	K208 I212 K228 V229 D230 S231	T139-K208 HydrophobicContact CG2-CD 3.57Å; T139-K208 HydrophobicContact CG2-CG 3.99Å; T139-I212 HydrophobicContact CG2-CD1 3.52Å; T139-K228 HydrophobicContact CG2-CG 4.18Å; T139-K228 WeakPolarHBondContact OG1-CE 3.18Å; T139-V229 PolarHBondContact N-O 3.06Å; T139-V229 PolarHBondContact OG1-O 2.9Å; T139-D230 PolarHBondContact OG1-OD1 3.03Å; T139-S231 WeakPolarHBondContact O-CB 3.33Å; T139-S231 PolarHBondContact O-N 3.07Å
140	V	97.3	Very high	95.5	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	17%	0.174	C	C	.	.			trans	-142	155.9	-177.7	66.5	0	0	0	0	110	V138 N144 A147 R148 F170 V171 L172 K208	V138-V140 PolarHBondContact O-N 3.46Å; V140-N144 HydrophobicContact CG2-CB 3.93Å; V140-A147 HydrophobicContact CG2-CB 4.2Å; V140-R148 HydrophobicContact CG1-CG 3.81Å; V140-R148 HydrophobicContact CG2-CG 4.04Å; V140-F170 HydrophobicContact CG1-CB 3.97Å; V140-F170 HydrophobicContact CG1-CD1 4Å; V140-F170 HydrophobicContact CG1-CG 4.4Å; V140-V171 PolarHBondContact N-O 3.01Å; V140-L172 HydrophobicContact CG1-CD2 3.48Å; V140-L172 VanDerWaalsContact CG1-CD2 3.48Å; V140-L172 WeakPolarHBondContact O-CD2 3.15Å; V140-K208 PolarHBondContact O-NZ 3.02Å
141	A	95.5	Very high	96.8	Very high	35 Å²	35	22.1 Å²	22.1	29%	0.289	14%	0.144	S	C	.	.			trans	-83.4	148.4	174.5	0	0	0	0	0	110.5	S143 N144 R148	A141-S143 VanDerWaalsContact C-N 3.27Å; A141-S143 PolarHBondContact O-N 3.06Å; A141-N144 HydrophobicContact CB-CB 4.38Å; A141-N144 PolarHBondContact O-N 3.5Å; A141-R148 PolarHBondContact O-NH1 2.85Å
142	P	94.9	Very high	97.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-42.8	179.6	-28.3	35.8	0	0	0	112.9	N144 R148 L172 G173 D175 H178 L183 D200	P142-N144 VanDerWaalsContact C-N 3.27Å; P142-N144 PolarHBondContact O-N 2.9Å; P142-R148 PolarHBondContact O-NH1 3.3Å; P142-R148 PolarHBondContact O-NH2 2.84Å; P142-L172 HydrophobicContact CG-CB 4.39Å; P142-L172 HydrophobicContact CG-CD2 4.4Å; P142-G173 WeakPolarHBondContact CG-O 3.17Å; P142-D175 HydrophobicContact CB-CB 4.09Å; P142-D175 HydrophobicContact CG-CB 3.88Å; P142-H178 HydrophobicContact CB-CB 3.98Å; P142-H178 PolarHBondContact O-CE1 2.84Å; P142-H178 VanDerWaalsContact O-CE1 3.23Å; P142-L183 HydrophobicContact CB-CD2 4.45Å; P142-D200 WeakPolarHBondContact CD-OD2 3.48Å
143	S	93.8	Very high	97.6	Very high	60 Å²	60	22.7 Å²	22.7	42%	0.42	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15	178.8	42.3	0	0	0	0	114.9	A141 V145 D175	A141-S143 VanDerWaalsContact C-N 3.27Å; A141-S143 PolarHBondContact O-N 3.06Å; S143-V145 VanDerWaalsContact C-N 3.31Å; S143-V145 PolarHBondContact O-N 2.85Å; S143-V145 VanDerWaalsContact O-N 3.1Å; S143-D175 PolarHBondContact OG-OD2 3.04Å
144	N	95.3	Very high	97.6	Very high	57 Å²	57	21.7 Å²	21.7	31%	0.305	14%	0.143	S	C	.	.			trans	-90.4	61.1	-177.9	-164.5	-3.6	0	0	0	112.6	V140 A141 P142 A146 A147 R148	V140-N144 HydrophobicContact CG2-CB 3.93Å; A141-N144 HydrophobicContact CB-CB 4.38Å; A141-N144 PolarHBondContact O-N 3.5Å; P142-N144 VanDerWaalsContact C-N 3.27Å; P142-N144 PolarHBondContact O-N 2.9Å; N144-A146 VanDerWaalsContact C-N 3.27Å; N144-A146 PolarHBondContact O-N 3.04Å; N144-A147 HydrophobicContact CB-CB 4.47Å; N144-A147 VanDerWaalsContact CG-CB 3.44Å; N144-A147 WeakPolarHBondContact ND2-CB 3.48Å; N144-A147 PolarHBondContact O-N 2.92Å; N144-A147 VanDerWaalsContact OD1-CB 3.26Å; N144-A147 WeakPolarHBondContact OD1-CB 3.04Å; N144-A147 PolarHBondContact OD1-N 2.82Å; N144-A147 VanDerWaalsContact OD1-N 3.1Å; N144-R148 PolarHBondContact O-N 3.31Å; N144-R148 PolarHBondContact O-NH1 3.35Å
145	V	95.9	Very high	97.6	Very high	54 Å²	54	22 Å²	22	33%	0.327	14%	0.144	S	C	.	.	H	α-helix	trans	-58.3	-41.4	176.3	-173.9	0	0	0	0	110.6	S143 A147 R148 D149	S143-V145 VanDerWaalsContact C-N 3.31Å; S143-V145 PolarHBondContact O-N 2.85Å; S143-V145 VanDerWaalsContact O-N 3.1Å; V145-A147 VanDerWaalsContact C-N 3.29Å; V145-A147 PolarHBondContact O-N 2.89Å; V145-R148 PolarHBondContact O-N 3.33Å; V145-D149 PolarHBondContact O-N 2.92Å
146	A	97.5	Very high	97.6	Very high	62 Å²	62	22.7 Å²	22.7	51%	0.512	15%	0.151	S	C	.	.	H	α-helix	trans	-60.3	-34	-178.3	0	0	0	0	0	113.8	N144 A150	N144-A146 VanDerWaalsContact C-N 3.27Å; N144-A146 PolarHBondContact O-N 3.04Å; A146-A150 VanDerWaalsContact O-CB 3.28Å; A146-A150 WeakPolarHBondContact O-CB 3.01Å; A146-A150 PolarHBondContact O-N 3.31Å; A146-A150 VanDerWaalsContact O-N 3.08Å
147	A	98.3	Very high	97.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-70.4	-43.6	172.9	0	0	0	0	0	112	V140 N144 V145 D149 A150 I151 S364	V140-A147 HydrophobicContact CG2-CB 4.2Å; N144-A147 HydrophobicContact CB-CB 4.47Å; N144-A147 VanDerWaalsContact CG-CB 3.44Å; N144-A147 WeakPolarHBondContact ND2-CB 3.48Å; N144-A147 PolarHBondContact O-N 2.92Å; N144-A147 VanDerWaalsContact OD1-CB 3.26Å; N144-A147 WeakPolarHBondContact OD1-CB 3.04Å; N144-A147 PolarHBondContact OD1-N 2.82Å; N144-A147 VanDerWaalsContact OD1-N 3.1Å; V145-A147 VanDerWaalsContact C-N 3.29Å; V145-A147 PolarHBondContact O-N 2.89Å; A147-D149 VanDerWaalsContact C-N 3.35Å; A147-D149 PolarHBondContact O-N 3.34Å; A147-A150 PolarHBondContact O-N 3.28Å; A147-I151 WeakPolarHBondContact O-CB 3.41Å; A147-I151 VanDerWaalsContact O-CG1 3.26Å; A147-I151 WeakPolarHBondContact O-CG1 3.3Å; A147-I151 PolarHBondContact O-N 3.13Å; A147-S364 VanDerWaalsContact CA-OG 3.27Å; A147-S364 WeakPolarHBondContact CA-OG 3.43Å; A147-S364 PolarHBondContact N-OG 3.23Å
148	R	98.4	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-47.5	176.5	-63.1	-166.8	-68.7	-84.2	9.1	111.1	V140 A141 P142 N144 V145 A150 I151 R152 F170 E186	V140-R148 HydrophobicContact CG1-CG 3.81Å; V140-R148 HydrophobicContact CG2-CG 4.04Å; A141-R148 PolarHBondContact O-NH1 2.85Å; P142-R148 PolarHBondContact O-NH1 3.3Å; P142-R148 PolarHBondContact O-NH2 2.84Å; N144-R148 PolarHBondContact O-N 3.31Å; N144-R148 PolarHBondContact O-NH1 3.35Å; V145-R148 PolarHBondContact O-N 3.33Å; R148-A150 PolarHBondContact O-N 2.74Å; R148-I151 PolarHBondContact O-N 3.32Å; R148-R152 WeakPolarHBondContact O-CG 3.48Å; R148-R152 PolarHBondContact O-N 3.29Å; R148-F170 HydrophobicContact CB-CD1 4.26Å; R148-F170 HydrophobicContact CB-CE1 4.05Å; R148-F170 HydrophobicContact CB-CE2 4.37Å; R148-F170 HydrophobicContact CB-CZ 4.1Å; R148-F170 HydrophobicContact CG-CB 4.5Å; R148-F170 HydrophobicContact CG-CD1 3.7Å; R148-F170 HydrophobicContact CG-CD2 4.44Å; R148-F170 HydrophobicContact CG-CE1 3.96Å; R148-F170 HydrophobicContact CG-CG 3.96Å; R148-F170 HydrophobicContact CG-CZ 4.43Å; R148-E186 IonicContact CZ-OE1 2.73Å; R148-E186 IonicContact CZ-OE2 3.31Å; R148-E186 IonicContact NE-OE1 3.69Å; R148-E186 PolarHBondContact NE-OE1 3.29Å; R148-E186 IonicContact NE-OE2 2.77Å; R148-E186 PolarHBondContact NE-OE2 3.46Å; R148-E186 IonicContact NH2-OE1 2.73Å; R148-E186 IonicContact NH2-OE2 3.24Å; R148-E186 PolarHBondContact NH2-OE2 3.25Å
149	D	98.5	Very high	97.1	Very high	73 Å²	73	41.4 Å²	41.4	39%	0.39	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-40.9	178.7	-67.3	-15.6	0	0	0	112.7	V145 A147 I151 R152 A153	V145-D149 PolarHBondContact O-N 2.92Å; A147-D149 VanDerWaalsContact C-N 3.35Å; A147-D149 PolarHBondContact O-N 3.34Å; D149-I151 VanDerWaalsContact C-N 3.33Å; D149-I151 PolarHBondContact O-N 3.15Å; D149-R152 PolarHBondContact O-N 3.22Å; D149-R152 IonicContact OD1-NH1 3.49Å; D149-R152 PolarHBondContact OD1-NH1 3.34Å; D149-A153 VanDerWaalsContact O-CB 3.28Å; D149-A153 WeakPolarHBondContact O-CB 3.28Å; D149-A153 PolarHBondContact O-N 2.98Å
150	A	98.8	Very high	97	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-41.6	175.7	0	0	0	0	0	111.5	A146 A147 R148 A153 T154 L367 K368	A146-A150 VanDerWaalsContact O-CB 3.28Å; A146-A150 WeakPolarHBondContact O-CB 3.01Å; A146-A150 PolarHBondContact O-N 3.31Å; A146-A150 VanDerWaalsContact O-N 3.08Å; A147-A150 PolarHBondContact O-N 3.28Å; R148-A150 PolarHBondContact O-N 2.74Å; A150-A153 PolarHBondContact O-N 3.27Å; A150-T154 WeakPolarHBondContact O-CB 3.24Å; A150-T154 VanDerWaalsContact O-CG2 3.25Å; A150-T154 WeakPolarHBondContact O-CG2 3.44Å; A150-T154 PolarHBondContact O-N 3.08Å; A150-T154 VanDerWaalsContact O-N 3.09Å; A150-T154 PolarHBondContact O-OG1 3.16Å; A150-L367 HydrophobicContact CB-CD2 4.1Å; A150-K368 HydrophobicContact CB-CD 4.27Å; A150-K368 HydrophobicContact CB-CG 3.99Å
151	I	98.9	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-46.5	177.5	-69.4	170.4	0	0	0	110.7	V138 A147 R148 D149 A153 T154 W155 G156 T168 F170 L367	V138-I151 HydrophobicContact CG1-CD1 3.74Å; A147-I151 WeakPolarHBondContact O-CB 3.41Å; A147-I151 VanDerWaalsContact O-CG1 3.26Å; A147-I151 WeakPolarHBondContact O-CG1 3.3Å; A147-I151 PolarHBondContact O-N 3.13Å; R148-I151 PolarHBondContact O-N 3.32Å; D149-I151 VanDerWaalsContact C-N 3.33Å; D149-I151 PolarHBondContact O-N 3.15Å; I151-A153 PolarHBondContact O-N 2.95Å; I151-T154 CarbonylContact O-C 3.57Å; I151-T154 PolarHBondContact O-N 3.34Å; I151-T154 PolarHBondContact O-OG1 3.04Å; I151-W155 HydrophobicContact CB-CH2 4.39Å; I151-W155 HydrophobicContact CB-CZ2 4.13Å; I151-W155 HydrophobicContact CD1-CH2 3.85Å; I151-W155 HydrophobicContact CD1-CZ2 3.46Å; I151-W155 VanDerWaalsContact CD1-CZ2 3.46Å; I151-W155 HydrophobicContact CG1-CH2 4.06Å; I151-W155 HydrophobicContact CG1-CZ2 3.44Å; I151-W155 VanDerWaalsContact CG1-CZ2 3.44Å; I151-W155 HydrophobicContact CG2-CD2 4.04Å; I151-W155 HydrophobicContact CG2-CE3 3.89Å; I151-W155 HydrophobicContact CG2-CH2 3.46Å; I151-W155 VanDerWaalsContact CG2-CH2 3.46Å; I151-W155 HydrophobicContact CG2-CZ2 3.63Å; I151-W155 HydrophobicContact CG2-CZ3 3.59Å; I151-G156 WeakPolarHBondContact O-CA 3.47Å; I151-G156 PolarHBondContact O-N 2.98Å; I151-T168 HydrophobicContact CG2-CG2 4.31Å; I151-F170 HydrophobicContact CB-CE1 3.98Å; I151-F170 HydrophobicContact CB-CZ 3.99Å; I151-F170 HydrophobicContact CD1-CE1 4.02Å; I151-F170 HydrophobicContact CG2-CE1 3.84Å; I151-F170 HydrophobicContact CG2-CZ 3.76Å; I151-L367 HydrophobicContact CG1-CD2 3.93Å
152	R	98.6	Very high	97.2	Very high	33 Å²	33	48.8 Å²	48.8	13%	0.125	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-34.4	174.6	-71.3	177.5	-172.9	122.7	-0.4	112.8	R148 D149 T154 K157 F170 E186 D192	R148-R152 WeakPolarHBondContact O-CG 3.48Å; R148-R152 PolarHBondContact O-N 3.29Å; D149-R152 PolarHBondContact O-N 3.22Å; D149-R152 IonicContact OD1-NH1 3.49Å; D149-R152 PolarHBondContact OD1-NH1 3.34Å; R152-T154 VanDerWaalsContact C-N 3.34Å; R152-K157 WeakPolarHBondContact O-CA 3.44Å; R152-K157 VanDerWaalsContact O-CB 3.23Å; R152-K157 WeakPolarHBondContact O-CB 3.34Å; R152-F170 HydrophobicContact CG-CE2 3.89Å; R152-F170 HydrophobicContact CG-CZ 4Å; R152-E186 IonicContact CZ-OE1 3.6Å; R152-E186 VanDerWaalsContact CZ-OE1 3.24Å; R152-E186 IonicContact NH1-OE1 3.64Å; R152-E186 PolarHBondContact NH1-OE1 3.11Å; R152-E186 IonicContact NH2-OE1 3.33Å; R152-E186 PolarHBondContact NH2-OE1 3.15Å; R152-D192 IonicContact CZ-OD1 2.71Å; R152-D192 IonicContact CZ-OD2 3.69Å; R152-D192 IonicContact NE-OD1 3.38Å; R152-D192 IonicContact NE-OD2 3.74Å; R152-D192 PolarHBondContact NE-OD2 3.33Å; R152-D192 IonicContact NH2-OD1 3.04Å; R152-D192 PolarHBondContact NH2-OD1 3.34Å; R152-D192 IonicContact NH2-OD2 2.8Å; R152-D192 PolarHBondContact NH2-OD2 3.3Å
153	A	98.4	Very high	97.3	Very high	63 Å²	63	52 Å²	52	52%	0.521	30%	0.299	S	S	.	.	H	α-helix	trans	-82.3	-10.4	177.8	0	0	0	0	0	113.8	D149 A150 I151	D149-A153 VanDerWaalsContact O-CB 3.28Å; D149-A153 WeakPolarHBondContact O-CB 3.28Å; D149-A153 PolarHBondContact O-N 2.98Å; A150-A153 PolarHBondContact O-N 3.27Å; I151-A153 PolarHBondContact O-N 2.95Å
154	T	98.7	Very high	97.4	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.031	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-117.2	-173.2	60.8	0	0	0	0	111.9	A150 I151 R152 G156 K157 L367 K368 W371	A150-T154 WeakPolarHBondContact O-CB 3.24Å; A150-T154 VanDerWaalsContact O-CG2 3.25Å; A150-T154 WeakPolarHBondContact O-CG2 3.44Å; A150-T154 PolarHBondContact O-N 3.08Å; A150-T154 VanDerWaalsContact O-N 3.09Å; A150-T154 PolarHBondContact O-OG1 3.16Å; I151-T154 CarbonylContact O-C 3.57Å; I151-T154 PolarHBondContact O-N 3.34Å; I151-T154 PolarHBondContact O-OG1 3.04Å; R152-T154 VanDerWaalsContact C-N 3.34Å; T154-G156 VanDerWaalsContact C-N 3.27Å; T154-G156 PolarHBondContact O-N 3.25Å; T154-K157 VanDerWaalsContact O-CB 3.28Å; T154-K157 WeakPolarHBondContact O-CB 3.2Å; T154-K157 PolarHBondContact O-N 2.91Å; T154-L367 HydrophobicContact CG2-CG 4.3Å; T154-K368 HydrophobicContact CG2-CG 4.49Å; T154-W371 VanDerWaalsContact CB-CG 3.47Å; T154-W371 HydrophobicContact CG2-CB 3.59Å; T154-W371 VanDerWaalsContact CG2-CD1 3.49Å; T154-W371 HydrophobicContact CG2-CD2 4.35Å; T154-W371 HydrophobicContact CG2-CG 3.52Å
155	W	98.4	Very high	97.5	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.6	-172	54.8	-106.8	0	0	0	113.9	L136 V138 I151 K157 T168 V229 M233 L235 V237 W371	L136-W155 HydrophobicContact CD1-CE3 4.23Å; L136-W155 HydrophobicContact CD1-CZ3 4.06Å; V138-W155 HydrophobicContact CG1-CH2 4.38Å; V138-W155 HydrophobicContact CG2-CH2 3.68Å; V138-W155 HydrophobicContact CG2-CZ3 4.07Å; I151-W155 HydrophobicContact CB-CH2 4.39Å; I151-W155 HydrophobicContact CB-CZ2 4.13Å; I151-W155 HydrophobicContact CD1-CH2 3.85Å; I151-W155 HydrophobicContact CD1-CZ2 3.46Å; I151-W155 VanDerWaalsContact CD1-CZ2 3.46Å; I151-W155 HydrophobicContact CG1-CH2 4.06Å; I151-W155 HydrophobicContact CG1-CZ2 3.44Å; I151-W155 VanDerWaalsContact CG1-CZ2 3.44Å; I151-W155 HydrophobicContact CG2-CD2 4.04Å; I151-W155 HydrophobicContact CG2-CE3 3.89Å; I151-W155 HydrophobicContact CG2-CH2 3.46Å; I151-W155 VanDerWaalsContact CG2-CH2 3.46Å; I151-W155 HydrophobicContact CG2-CZ2 3.63Å; I151-W155 HydrophobicContact CG2-CZ3 3.59Å; W155-K157 VanDerWaalsContact C-N 3.32Å; W155-T168 HydrophobicContact CZ3-CG2 4.27Å; W155-V229 HydrophobicContact CH2-CG1 4.02Å; W155-M233 PolarHBondContact NE1-O 3.49Å; W155-L235 HydrophobicContact CB-CB 4.43Å; W155-L235 WeakPolarHBondContact CB-O 3.39Å; W155-L235 HydrophobicContact CD2-CB 3.81Å; W155-L235 HydrophobicContact CD2-CD2 4.47Å; W155-L235 HydrophobicContact CE3-CB 4.13Å; W155-L235 HydrophobicContact CE3-CD2 3.92Å; W155-L235 HydrophobicContact CG-CB 3.95Å; W155-L235 HydrophobicContact CZ3-CD2 4.02Å; W155-V237 HydrophobicContact CB-CG2 4.26Å; W155-V237 WeakPolarHBondContact O-CG2 3.16Å; W155-W371 HydrophobicContact CB-CE3 4.29Å; W155-W371 HydrophobicContact CB-CH2 3.58Å; W155-W371 HydrophobicContact CB-CZ2 4.12Å; W155-W371 HydrophobicContact CB-CZ3 3.68Å
156	G	98.1	Very high	97.6	Very high	14 Å²	14	49.2 Å²	49.2	14%	0.144	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	0.2	178.3	0	0	0	0	0	114.2	I151 T154 T168	I151-G156 WeakPolarHBondContact O-CA 3.47Å; I151-G156 PolarHBondContact O-N 2.98Å; T154-G156 VanDerWaalsContact C-N 3.27Å; T154-G156 PolarHBondContact O-N 3.25Å; G156-T168 PolarHBondContact O-OG1 2.69Å
157	K	96.5	Very high	97.6	Very high	141 Å²	141	47.1 Å²	47.1	61%	0.613	26%	0.258	S	S	*	.	S	Bend	trans	-73.7	-46.9	-171.9	-172.8	-176.5	174.2	-174.6	0	113.7	R152 T154 W155	R152-K157 WeakPolarHBondContact O-CA 3.44Å; R152-K157 VanDerWaalsContact O-CB 3.23Å; R152-K157 WeakPolarHBondContact O-CB 3.34Å; T154-K157 VanDerWaalsContact O-CB 3.28Å; T154-K157 WeakPolarHBondContact O-CB 3.2Å; T154-K157 PolarHBondContact O-N 2.91Å; W155-K157 VanDerWaalsContact C-N 3.32Å
158	D	94.7	Very high	97.6	Very high	72 Å²	72	47.9 Å²	47.9	39%	0.385	26%	0.263	S	S	.	.			trans	-85.1	126.6	-165.2	-62.8	-32.4	0	0	0	110.7	V161	D158-V161 HydrophobicContact CB-CG2 3.99Å
159	R	94.8	Very high	97.6	Very high	181 Å²	181	47.9 Å²	47.9	68%	0.683	26%	0.263	S	S	*	.	S	Bend	trans	-87.5	-15.5	178.7	-68.9	-169.4	175	-169.1	-2.2	114.1	T165 V166	R159-T165 CarbonylContact O-C 3.6Å; R159-T165 WeakPolarHBondContact O-CA 3.06Å; R159-V166 WeakPolarHBondContact CA-O 3.48Å; R159-V166 PolarHBondContact O-N 3.37Å
160	V	96.9	Very high	97.6	Very high	100 Å²	100	44.5 Å²	44.5	61%	0.606	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.9	176.7	-178.9	0	0	0	0	107.9	E164	V160-E164 CarbonylContact C-O 3.59Å; V160-E164 VanDerWaalsContact CA-O 3.29Å; V160-E164 WeakPolarHBondContact CA-O 3.46Å
161	V	97.7	Very high	97.6	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.2	-176.8	-179.4	0	0	0	0	107.9	D158 G163 E164 V166 V237 D238 V241	D158-V161 HydrophobicContact CB-CG2 3.99Å; V161-G163 PolarHBondContact O-N 2.79Å; V161-G163 VanDerWaalsContact O-N 3.13Å; V161-E164 PolarHBondContact N-O 2.79Å; V161-E164 PolarHBondContact O-N 2.63Å; V161-V166 HydrophobicContact CB-CG2 3.94Å; V161-V166 HydrophobicContact CG2-CB 4.48Å; V161-V166 HydrophobicContact CG2-CG2 4.13Å; V161-V237 HydrophobicContact CB-CG1 4.22Å; V161-V237 HydrophobicContact CG1-CB 4.33Å; V161-V237 HydrophobicContact CG1-CG1 3.97Å; V161-V237 HydrophobicContact CG2-CG1 4.05Å; V161-D238 HydrophobicContact CG1-CB 4.43Å; V161-D238 WeakPolarHBondContact CG1-OD1 3.48Å; V161-V241 HydrophobicContact CB-CG2 4.45Å; V161-V241 HydrophobicContact CG1-CG2 4.25Å
162	Q	97.6	Very high	97.5	Very high	91 Å²	91	44.4 Å²	44.4	43%	0.425	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	35.7	-178.7	-57.5	-65.7	-39.9	0	0	113.6	E164 D238 V241 I242 K245	Q162-E164 VanDerWaalsContact C-N 3.27Å; Q162-E164 PolarHBondContact O-N 3.18Å; Q162-D238 HydrophobicContact CG-CB 4.3Å; Q162-D238 PolarHBondContact NE2-OD1 2.94Å; Q162-V241 HydrophobicContact CB-CB 4.17Å; Q162-V241 HydrophobicContact CB-CG1 3.7Å; Q162-V241 HydrophobicContact CG-CB 4.34Å; Q162-V241 HydrophobicContact CG-CG1 4.4Å; Q162-I242 HydrophobicContact CG-CD1 4.39Å; Q162-I242 HydrophobicContact CG-CG1 4.03Å; Q162-K245 PolarHBondContact O-NZ 3.36Å
163	G	96.8	Very high	97.4	Very high	67 Å²	67	42.9 Å²	42.9	69%	0.691	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	0.2	-178.8	0	0	0	0	0	115.2	V161	V161-G163 PolarHBondContact O-N 2.79Å; V161-G163 VanDerWaalsContact O-N 3.13Å
164	E	97.4	Very high	97.1	Very high	54 Å²	54	43.2 Å²	43.2	25%	0.252	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.6	-177.3	-60.7	-57.2	156.7	0	0	112.2	F133 V160 V161 Q162 V166 V241 K245	F133-E164 HydrophobicContact CB-CB 3.7Å; F133-E164 HydrophobicContact CB-CG 4.18Å; F133-E164 HydrophobicContact CD1-CB 3.78Å; F133-E164 HydrophobicContact CD1-CG 3.84Å; F133-E164 HydrophobicContact CD2-CG 4.2Å; F133-E164 HydrophobicContact CE1-CG 4.27Å; F133-E164 HydrophobicContact CG-CB 3.79Å; F133-E164 HydrophobicContact CG-CG 3.8Å; V160-E164 CarbonylContact C-O 3.59Å; V160-E164 VanDerWaalsContact CA-O 3.29Å; V160-E164 WeakPolarHBondContact CA-O 3.46Å; V161-E164 PolarHBondContact N-O 2.79Å; V161-E164 PolarHBondContact O-N 2.63Å; Q162-E164 VanDerWaalsContact C-N 3.27Å; Q162-E164 PolarHBondContact O-N 3.18Å; E164-V166 PolarHBondContact O-N 3.31Å; E164-V241 HydrophobicContact CB-CG1 4.09Å; E164-V241 HydrophobicContact CG-CG1 3.74Å; E164-K245 HydrophobicContact CG-CD 3.85Å; E164-K245 WeakPolarHBondContact OE1-CE 3.35Å; E164-K245 IonicContact OE1-NZ 3.86Å; E164-K245 PolarHBondContact OE1-NZ 3.14Å
165	T	97.1	Very high	96.6	Very high	54 Å²	54	44.5 Å²	44.5	33%	0.331	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.6	173.8	-61.3	0	0	0	0	110.3	P132 F133 L134 R159	P132-T165 HydrophobicContact CB-CG2 4.16Å; F133-T165 WeakPolarHBondContact CB-O 3.24Å; F133-T165 PolarHBondContact N-O 3.49Å; L134-T165 PolarHBondContact N-O 3.2Å; R159-T165 CarbonylContact O-C 3.6Å; R159-T165 WeakPolarHBondContact O-CA 3.06Å
166	V	97.8	Very high	95.7	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.9	176.7	-176.2	0	0	0	0	109.5	L134 L136 R159 V161 E164 V237 V241	L134-V166 HydrophobicContact CB-CG1 4.38Å; L134-V166 HydrophobicContact CB-CG2 4.3Å; L134-V166 HydrophobicContact CD2-CG1 4.27Å; L134-V166 HydrophobicContact CG-CG1 4.37Å; L134-V166 WeakPolarHBondContact O-CA 3.41Å; L136-V166 HydrophobicContact CD1-CG1 3.96Å; L136-V166 HydrophobicContact CG-CG1 4.06Å; R159-V166 WeakPolarHBondContact CA-O 3.48Å; R159-V166 PolarHBondContact O-N 3.37Å; V161-V166 HydrophobicContact CB-CG2 3.94Å; V161-V166 HydrophobicContact CG2-CB 4.48Å; V161-V166 HydrophobicContact CG2-CG2 4.13Å; E164-V166 PolarHBondContact O-N 3.31Å; V166-V237 HydrophobicContact CG1-CG1 4.12Å; V166-V237 HydrophobicContact CG2-CG1 4.27Å; V166-V241 HydrophobicContact CG2-CG2 4.07Å
167	L	97.1	Very high	94.5	Very high	18 Å²	18	63 Å²	63	9%	0.094	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	126	179.6	-178.7	64	0	0	0	110.3	V126 C127 P132 L134 V135 L136 L169	V126-L167 HydrophobicContact CB-CD2 4.29Å; V126-L167 HydrophobicContact CG2-CD2 3.98Å; C127-L167 HydrophobicContact CB-CD2 4.43Å; P132-L167 HydrophobicContact CB-CB 4.22Å; L134-L167 PolarHBondContact O-N 2.74Å; V135-L167 CarbonylContact C-O 3.29Å; V135-L167 WeakPolarHBondContact CA-O 3.49Å; V135-L167 HydrophobicContact CG1-CD2 4.47Å; L136-L167 PolarHBondContact N-O 3.33Å; L167-L169 HydrophobicContact CD1-CD2 4.2Å; L167-L169 HydrophobicContact CD2-CD1 3.89Å; L167-L169 HydrophobicContact CD2-CD2 4.3Å; L167-L169 HydrophobicContact CD2-CG 4.16Å; L167-L169 HydrophobicContact CG-CD1 4.27Å; L167-L169 HydrophobicContact CG-CD2 4.13Å; L167-L169 HydrophobicContact CG-CG 3.99Å
168	T	98.3	Very high	93.5	Very high	17 Å²	17	58 Å²	58	10%	0.104	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125	175.4	-53.1	0	0	0	0	109.8	L136 V138 I151 W155 G156 F170	L136-T168 HydrophobicContact CB-CG2 4.38Å; V138-T168 HydrophobicContact CG2-CG2 3.78Å; I151-T168 HydrophobicContact CG2-CG2 4.31Å; W155-T168 HydrophobicContact CZ3-CG2 4.27Å; G156-T168 PolarHBondContact O-OG1 2.69Å; T168-F170 HydrophobicContact CG2-CZ 4.45Å
169	L	98.4	Very high	93.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.7	178.7	-58.2	173.5	0	0	0	110.2	V126 V135 L136 M137 V138 L167 D192 I194 W215	V126-L169 HydrophobicContact CB-CD2 4.48Å; V126-L169 HydrophobicContact CG2-CD1 4.06Å; V126-L169 HydrophobicContact CG2-CD2 3.92Å; V135-L169 HydrophobicContact CG1-CD1 4.07Å; L136-L169 PolarHBondContact O-N 2.97Å; M137-L169 HydrophobicContact SD-CB 4.23Å; M137-L169 HydrophobicContact SD-CD1 4.19Å; V138-L169 PolarHBondContact N-O 3.46Å; L167-L169 HydrophobicContact CD1-CD2 4.2Å; L167-L169 HydrophobicContact CD2-CD1 3.89Å; L167-L169 HydrophobicContact CD2-CD2 4.3Å; L167-L169 HydrophobicContact CD2-CG 4.16Å; L167-L169 HydrophobicContact CG-CD1 4.27Å; L167-L169 HydrophobicContact CG-CD2 4.13Å; L167-L169 HydrophobicContact CG-CG 3.99Å; L169-D192 CarbonylContact C-O 3.13Å; L169-D192 WeakPolarHBondContact CA-O 3.39Å; L169-D192 HydrophobicContact CD2-CB 4.44Å; L169-I194 HydrophobicContact CB-CD1 4.01Å; L169-I194 HydrophobicContact CD1-CD1 3.79Å; L169-I194 HydrophobicContact CG-CD1 4.46Å; L169-W215 HydrophobicContact CD1-CE3 4.37Å; L169-W215 HydrophobicContact CD1-CH2 3.37Å; L169-W215 HydrophobicContact CD1-CZ2 4.04Å; L169-W215 HydrophobicContact CD1-CZ3 3.56Å
170	F	98.7	Very high	92.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	179.6	-61.5	-78.2	0	0	0	110.7	V138 V140 R148 I151 R152 T168 D192 L193 I194	V138-F170 HydrophobicContact CB-CD1 3.69Å; V138-F170 HydrophobicContact CB-CE1 4.07Å; V138-F170 HydrophobicContact CG1-CD1 3.8Å; V138-F170 HydrophobicContact CG1-CE1 3.97Å; V138-F170 HydrophobicContact CG2-CD1 4.24Å; V138-F170 HydrophobicContact CG2-CE1 4.21Å; V140-F170 HydrophobicContact CG1-CB 3.97Å; V140-F170 HydrophobicContact CG1-CD1 4Å; V140-F170 HydrophobicContact CG1-CG 4.4Å; R148-F170 HydrophobicContact CB-CD1 4.26Å; R148-F170 HydrophobicContact CB-CE1 4.05Å; R148-F170 HydrophobicContact CB-CE2 4.37Å; R148-F170 HydrophobicContact CB-CZ 4.1Å; R148-F170 HydrophobicContact CG-CB 4.5Å; R148-F170 HydrophobicContact CG-CD1 3.7Å; R148-F170 HydrophobicContact CG-CD2 4.44Å; R148-F170 HydrophobicContact CG-CE1 3.96Å; R148-F170 HydrophobicContact CG-CG 3.96Å; R148-F170 HydrophobicContact CG-CZ 4.43Å; I151-F170 HydrophobicContact CB-CE1 3.98Å; I151-F170 HydrophobicContact CB-CZ 3.99Å; I151-F170 HydrophobicContact CD1-CE1 4.02Å; I151-F170 HydrophobicContact CG2-CE1 3.84Å; I151-F170 HydrophobicContact CG2-CZ 3.76Å; R152-F170 HydrophobicContact CG-CE2 3.89Å; R152-F170 HydrophobicContact CG-CZ 4Å; T168-F170 HydrophobicContact CG2-CZ 4.45Å; F170-D192 HydrophobicContact CD2-CB 4.33Å; F170-D192 WeakPolarHBondContact CE2-OD2 3.45Å; F170-D192 PolarHBondContact N-O 3.03Å; F170-L193 HydrophobicContact CB-CD2 3.75Å; F170-L193 HydrophobicContact CD2-CD2 4.09Å; F170-L193 HydrophobicContact CG-CD2 4.29Å; F170-I194 PolarHBondContact O-N 2.77Å
171	V	98.4	Very high	92.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125	-178.6	-170.3	0	0	0	0	111.7	M137 V138 V140 I194 K208 V211 I212	M137-V171 HydrophobicContact CE-CG2 3.77Å; V138-V171 PolarHBondContact O-N 2.92Å; V140-V171 PolarHBondContact N-O 3.01Å; V171-I194 CarbonylContact C-O 3.56Å; V171-I194 WeakPolarHBondContact CA-O 3.5Å; V171-I194 HydrophobicContact CG2-CB 4.27Å; V171-I194 HydrophobicContact CG2-CD1 4.26Å; V171-K208 HydrophobicContact CG1-CG 4.19Å; V171-V211 HydrophobicContact CG1-CG1 4.29Å; V171-I212 HydrophobicContact CB-CD1 4.34Å; V171-I212 HydrophobicContact CB-CG1 4.04Å; V171-I212 HydrophobicContact CG1-CG1 3.97Å; V171-I212 HydrophobicContact CG2-CD1 4.29Å; V171-I212 HydrophobicContact CG2-CG1 3.73Å
172	L	97.3	Very high	92.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.6	-168.5	-58.4	172.6	0	0	0	110.9	V140 P142 L183 L193 I194 Q195 S196	V140-L172 HydrophobicContact CG1-CD2 3.48Å; V140-L172 VanDerWaalsContact CG1-CD2 3.48Å; V140-L172 WeakPolarHBondContact O-CD2 3.15Å; P142-L172 HydrophobicContact CG-CB 4.39Å; P142-L172 HydrophobicContact CG-CD2 4.4Å; L172-L183 HydrophobicContact CD1-CD1 3.87Å; L172-L183 HydrophobicContact CD1-CD2 4.01Å; L172-L183 HydrophobicContact CD1-CG 4.37Å; L172-L193 HydrophobicContact CD1-CB 4.28Å; L172-L193 HydrophobicContact CD1-CD1 4.07Å; L172-L193 HydrophobicContact CD1-CD2 4.14Å; L172-L193 HydrophobicContact CD1-CG 4.41Å; L172-I194 PolarHBondContact N-O 2.84Å; L172-Q195 HydrophobicContact CB-CB 4.14Å; L172-Q195 HydrophobicContact CB-CG 3.99Å; L172-Q195 WeakPolarHBondContact O-CA 3.31Å; L172-S196 PolarHBondContact O-N 3.37Å; L172-S196 VanDerWaalsContact O-N 3.07Å
173	G	95.3	Very high	92	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-160.8	158.7	0	0	0	0	0	111.8	P142 Q195 S196 F198 D200	P142-G173 WeakPolarHBondContact CG-O 3.17Å; G173-Q195 PolarHBondContact O-NE2 3.5Å; G173-S196 WeakPolarHBondContact CA-O 3.49Å; G173-F198 CarbonylContact C-O 3.6Å; G173-F198 VanDerWaalsContact CA-CZ 3.4Å; G173-F198 WeakPolarHBondContact CA-O 3.49Å; G173-D200 PolarHBondContact N-OD2 3.32Å
174	L	93.2	Very high	91.8	Very high	70 Å²	70	58 Å²	58	37%	0.366	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.9	170.2	-54.8	179.8	0	0	0	110	N197 F198 D200	L174-N197 HydrophobicContact CD1-CB 4.17Å; L174-F198 PolarHBondContact N-O 3.15Å; L174-D200 WeakPolarHBondContact O-CB 2.98Å; L174-D200 PolarHBondContact O-N 3.12Å
175	D	88.2	Confident	91.8	Very high	32 Å²	32	60.9 Å²	60.9	17%	0.171	29%	0.287	C	S	.	.			trans	-126.5	126.9	171.6	-179.4	-5.8	0	0	0	108.1	P142 S143 R177 H178	P142-D175 HydrophobicContact CB-CB 4.09Å; P142-D175 HydrophobicContact CG-CB 3.88Å; S143-D175 PolarHBondContact OG-OD2 3.04Å; D175-R177 PolarHBondContact O-N 3.3Å; D175-R177 VanDerWaalsContact O-N 3.1Å; D175-R177 PolarHBondContact OD1-N 2.9Å; D175-R177 IonicContact OD1-NE 2.97Å; D175-H178 HydrophobicContact CB-CB 3.94Å; D175-H178 PolarHBondContact O-N 3.36Å
176	K	79.9	Confident	91.8	Very high	194 Å²	194	59.1 Å²	59.1	84%	0.843	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22	179.8	-66.9	-174.6	179	-177.2	0	112.9	L199	K176-L199 HydrophobicContact CG-CD1 4.32Å
177	R	72.4	Confident	91.7	Very high	215 Å²	215	59.8 Å²	59.8	81%	0.811	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-5.6	-175.5	-62.7	178.5	-67.5	-179.7	-0.4	113.2	D175	D175-R177 PolarHBondContact O-N 3.3Å; D175-R177 VanDerWaalsContact O-N 3.1Å; D175-R177 PolarHBondContact OD1-N 2.9Å; D175-R177 IonicContact OD1-NE 2.97Å
178	H	76.3	Confident	91.7	Very high	38 Å²	38	65.7 Å²	65.7	18%	0.176	31%	0.305	C	S	.	.	S	Bend	trans	-93.7	141.3	-173	-164.9	64.3	0	0	0	112.2	P142 D175 V180	P142-H178 HydrophobicContact CB-CB 3.98Å; P142-H178 PolarHBondContact O-CE1 2.84Å; P142-H178 VanDerWaalsContact O-CE1 3.23Å; D175-H178 HydrophobicContact CB-CB 3.94Å; D175-H178 PolarHBondContact O-N 3.36Å; H178-V180 PolarHBondContact O-N 3.38Å
179	D	84.4	Confident	91.6	Very high	66 Å²	66	71.9 Å²	71.9	35%	0.353	33%	0.333	S	S	.	.			trans	-79.9	108.3	178.1	-175.6	-18.7	0	0	0	109.1	E181 K182 L183	D179-E181 PolarHBondContact O-N 2.98Å; D179-E181 PolarHBondContact OD1-N 3.49Å; D179-E181 VanDerWaalsContact OD1-N 3.11Å; D179-K182 HydrophobicContact CB-CB 4.17Å; D179-K182 HydrophobicContact CB-CD 4.01Å; D179-K182 HydrophobicContact CB-CG 4.16Å; D179-K182 PolarHBondContact O-N 3.23Å; D179-K182 PolarHBondContact OD1-N 2.94Å; D179-K182 WeakPolarHBondContact OD2-CD 3.43Å; D179-K182 VanDerWaalsContact OD2-CE 3.24Å; D179-K182 WeakPolarHBondContact OD2-CE 3.46Å; D179-K182 WeakPolarHBondContact OD2-CG 3.39Å; D179-K182 IonicContact OD2-NZ 3.72Å; D179-L183 PolarHBondContact O-N 2.79Å
180	V	86.9	Confident	91.5	Very high	91 Å²	91	74.5 Å²	74.5	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-61.2	-35.6	-176.8	177.4	0	0	0	0	111.3	H178 L183 Q184	H178-V180 PolarHBondContact O-N 3.38Å; V180-L183 PolarHBondContact O-N 3.37Å; V180-Q184 HydrophobicContact CG1-CG 4.47Å; V180-Q184 WeakPolarHBondContact O-CG 3.35Å; V180-Q184 PolarHBondContact O-N 2.02Å
181	E	90	Very high	91.3	Very high	131 Å²	131	78.3 Å²	78.3	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-67.8	-42.1	-178.5	-64.7	-178.7	-178.7	0	0	110.9	D179 L183 Q184 Q185	D179-E181 PolarHBondContact O-N 2.98Å; D179-E181 PolarHBondContact OD1-N 3.49Å; D179-E181 VanDerWaalsContact OD1-N 3.11Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 3.35Å; E181-Q184 PolarHBondContact O-N 3.07Å; E181-Q185 WeakPolarHBondContact O-CG 3.09Å; E181-Q185 PolarHBondContact O-N 3.14Å
182	K	92.9	Very high	91.3	Very high	131 Å²	131	79.3 Å²	79.3	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-62.6	-39.5	175.5	-72.9	-179.8	-175.2	166.8	0	112.4	D179 Q184 Q185 E186	D179-K182 HydrophobicContact CB-CB 4.17Å; D179-K182 HydrophobicContact CB-CD 4.01Å; D179-K182 HydrophobicContact CB-CG 4.16Å; D179-K182 PolarHBondContact O-N 3.23Å; D179-K182 PolarHBondContact OD1-N 2.94Å; D179-K182 WeakPolarHBondContact OD2-CD 3.43Å; D179-K182 VanDerWaalsContact OD2-CE 3.24Å; D179-K182 WeakPolarHBondContact OD2-CE 3.46Å; D179-K182 WeakPolarHBondContact OD2-CG 3.39Å; D179-K182 IonicContact OD2-NZ 3.72Å; K182-Q184 VanDerWaalsContact C-N 3.34Å; K182-Q185 PolarHBondContact O-N 3.28Å; K182-E186 WeakPolarHBondContact O-CB 3.37Å; K182-E186 PolarHBondContact O-N 3.26Å
183	L	94.1	Very high	91.3	Very high	2 Å²	2	79.3 Å²	79.3	1%	0.01	37%	0.371	C	S	.	.	H	α-helix	trans	-67.8	-36.9	177.6	-161.2	64	0	0	0	111.9	M121 P142 L172 D179 V180 E181 E186 N187 L193	M121-L183 HydrophobicContact CE-CB 4.29Å; M121-L183 HydrophobicContact CE-CD2 3.49Å; M121-L183 VanDerWaalsContact CE-CD2 3.49Å; M121-L183 HydrophobicContact CE-CG 3.67Å; P142-L183 HydrophobicContact CB-CD2 4.45Å; L172-L183 HydrophobicContact CD1-CD1 3.87Å; L172-L183 HydrophobicContact CD1-CD2 4.01Å; L172-L183 HydrophobicContact CD1-CG 4.37Å; D179-L183 PolarHBondContact O-N 2.79Å; V180-L183 PolarHBondContact O-N 3.37Å; E181-L183 VanDerWaalsContact C-N 3.32Å; E181-L183 PolarHBondContact O-N 3.35Å; L183-E186 PolarHBondContact O-N 3.19Å; L183-N187 WeakPolarHBondContact O-CB 3.42Å; L183-N187 PolarHBondContact O-N 2.79Å; L183-L193 HydrophobicContact CD1-CD1 3.62Å; L183-L193 HydrophobicContact CG-CD1 3.96Å
184	Q	94.4	Very high	91.4	Very high	99 Å²	99	79.3 Å²	79.3	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-42.7	173.9	-74.2	176.7	-11	0	0	111.8	V180 E181 K182 N187 Q188	V180-Q184 HydrophobicContact CG1-CG 4.47Å; V180-Q184 WeakPolarHBondContact O-CG 3.35Å; V180-Q184 PolarHBondContact O-N 2.02Å; E181-Q184 PolarHBondContact O-N 3.07Å; K182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-N187 PolarHBondContact O-N 2.85Å; Q184-Q188 WeakPolarHBondContact O-CG 3.2Å; Q184-Q188 PolarHBondContact O-N 2.94Å
185	Q	96.1	Very high	91.6	Very high	113 Å²	113	76.7 Å²	76.7	53%	0.528	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-45.2	174.5	-71.5	170.4	8	0	0	111.3	E181 K182 N187 Q188 Q189	E181-Q185 WeakPolarHBondContact O-CG 3.09Å; E181-Q185 PolarHBondContact O-N 3.14Å; K182-Q185 PolarHBondContact O-N 3.28Å; Q185-N187 VanDerWaalsContact C-N 3.31Å; Q185-N187 PolarHBondContact O-N 3.29Å; Q185-Q188 PolarHBondContact O-N 3.16Å; Q185-Q189 PolarHBondContact O-N 2.82Å; Q185-Q189 VanDerWaalsContact O-N 3.07Å
186	E	96.9	Very high	91.9	Very high	17 Å²	17	75.2 Å²	75.2	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-58	-45.1	173.7	-175.3	-173.3	170.9	0	0	111.1	R148 R152 K182 L183 Q188 Q189 H190 L193	R148-E186 IonicContact CZ-OE1 2.73Å; R148-E186 IonicContact CZ-OE2 3.31Å; R148-E186 IonicContact NE-OE1 3.69Å; R148-E186 PolarHBondContact NE-OE1 3.29Å; R148-E186 IonicContact NE-OE2 2.77Å; R148-E186 PolarHBondContact NE-OE2 3.46Å; R148-E186 IonicContact NH2-OE1 2.73Å; R148-E186 IonicContact NH2-OE2 3.24Å; R148-E186 PolarHBondContact NH2-OE2 3.25Å; R152-E186 IonicContact CZ-OE1 3.6Å; R152-E186 VanDerWaalsContact CZ-OE1 3.24Å; R152-E186 IonicContact NH1-OE1 3.64Å; R152-E186 PolarHBondContact NH1-OE1 3.11Å; R152-E186 IonicContact NH2-OE1 3.33Å; R152-E186 PolarHBondContact NH2-OE1 3.15Å; K182-E186 WeakPolarHBondContact O-CB 3.37Å; K182-E186 PolarHBondContact O-N 3.26Å; L183-E186 PolarHBondContact O-N 3.19Å; E186-Q188 PolarHBondContact O-N 3.38Å; E186-Q189 PolarHBondContact O-N 2.77Å; E186-H190 PolarHBondContact O-CD2 2.88Å; E186-H190 PolarHBondContact O-N 3.38Å; E186-L193 HydrophobicContact CB-CD1 4.44Å; E186-L193 HydrophobicContact CG-CD1 4.27Å
187	N	96.4	Very high	92.5	Very high	19 Å²	19	69 Å²	69	10%	0.102	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-42	178.4	-169.4	55.2	0	0	0	112.4	M121 N123 L183 Q184 Q185 Q189 H190 N191 L193	M121-N187 HydrophobicContact SD-CB 3.63Å; N123-N187 PolarHBondContact ND2-OD1 2.94Å; N123-N187 PolarHBondContact OD1-ND2 3.44Å; L183-N187 WeakPolarHBondContact O-CB 3.42Å; L183-N187 PolarHBondContact O-N 2.79Å; Q184-N187 PolarHBondContact O-N 2.85Å; Q185-N187 VanDerWaalsContact C-N 3.31Å; Q185-N187 PolarHBondContact O-N 3.29Å; N187-Q189 PolarHBondContact O-N 3.16Å; N187-H190 PolarHBondContact O-N 3.47Å; N187-N191 VanDerWaalsContact O-CA 3.27Å; N187-N191 WeakPolarHBondContact O-CA 3.49Å; N187-N191 PolarHBondContact O-N 2.74Å; N187-N191 PolarHBondContact O-OD1 3.04Å; N187-L193 HydrophobicContact CB-CD1 4.04Å; N187-L193 HydrophobicContact CB-CG 4.38Å; N187-L193 WeakPolarHBondContact OD1-CB 3.46Å
188	Q	96.4	Very high	93.5	Very high	141 Å²	141	59 Å²	59	66%	0.659	29%	0.287	S	S	*	.	H	α-helix	trans	-61.4	-36.5	176.7	-73.3	170.8	0.7	0	0	111.8	Q184 Q185 E186 N191	Q184-Q188 WeakPolarHBondContact O-CG 3.2Å; Q184-Q188 PolarHBondContact O-N 2.94Å; Q185-Q188 PolarHBondContact O-N 3.16Å; E186-Q188 PolarHBondContact O-N 3.38Å; Q188-N191 PolarHBondContact O-ND2 3.21Å
189	Q	96.6	Very high	94.3	Very high	148 Å²	148	61 Å²	61	69%	0.692	30%	0.299	S	S	*	.	H	α-helix	trans	-72.7	-42.7	179.2	-177.5	176.6	-13.1	0	0	112.7	Q185 E186 N187	Q185-Q189 PolarHBondContact O-N 2.82Å; Q185-Q189 VanDerWaalsContact O-N 3.07Å; E186-Q189 PolarHBondContact O-N 2.77Å; N187-Q189 PolarHBondContact O-N 3.16Å
190	H	96.4	Very high	94.7	Very high	56 Å²	56	59.1 Å²	59.1	26%	0.259	29%	0.289	S	S	.	.	H	α-helix	trans	-107.4	-26.7	-168.3	-64.5	-69.9	0	0	0	114.8	E186 N187 D192	E186-H190 PolarHBondContact O-CD2 2.88Å; E186-H190 PolarHBondContact O-N 3.38Å; N187-H190 PolarHBondContact O-N 3.47Å; H190-D192 VanDerWaalsContact CB-OD1 3.29Å; H190-D192 WeakPolarHBondContact CB-OD1 3.39Å; H190-D192 PolarHBondContact O-N 3.06Å
191	N	95.5	Very high	94.9	Very high	82 Å²	82	57 Å²	57	44%	0.439	28%	0.276	S	S	.	.			trans	50.4	38.3	-176.5	-59.7	-77	0	0	0	113.2	V126 N187 Q188	V126-N191 VanDerWaalsContact CG1-O 3.28Å; V126-N191 WeakPolarHBondContact CG1-O 3.34Å; N187-N191 VanDerWaalsContact O-CA 3.27Å; N187-N191 WeakPolarHBondContact O-CA 3.49Å; N187-N191 PolarHBondContact O-N 2.74Å; N187-N191 PolarHBondContact O-OD1 3.04Å; Q188-N191 PolarHBondContact O-ND2 3.21Å
192	D	97.1	Very high	94.8	Very high	20 Å²	20	55.7 Å²	55.7	11%	0.107	27%	0.267	C	S	.	.			trans	-127	9.2	-174.6	64.2	4.5	0	0	0	113.5	R152 L169 F170 H190	R152-D192 IonicContact CZ-OD1 2.71Å; R152-D192 IonicContact CZ-OD2 3.69Å; R152-D192 IonicContact NE-OD1 3.38Å; R152-D192 IonicContact NE-OD2 3.74Å; R152-D192 PolarHBondContact NE-OD2 3.33Å; R152-D192 IonicContact NH2-OD1 3.04Å; R152-D192 PolarHBondContact NH2-OD1 3.34Å; R152-D192 IonicContact NH2-OD2 2.8Å; R152-D192 PolarHBondContact NH2-OD2 3.3Å; L169-D192 CarbonylContact C-O 3.13Å; L169-D192 WeakPolarHBondContact CA-O 3.39Å; L169-D192 HydrophobicContact CD2-CB 4.44Å; F170-D192 HydrophobicContact CD2-CB 4.33Å; F170-D192 WeakPolarHBondContact CE2-OD2 3.45Å; F170-D192 PolarHBondContact N-O 3.03Å; H190-D192 VanDerWaalsContact CB-OD1 3.29Å; H190-D192 WeakPolarHBondContact CB-OD1 3.39Å; H190-D192 PolarHBondContact O-N 3.06Å
193	L	97.8	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.7	179.5	-53.7	-172.1	0	0	0	111.7	N123 F170 L172 L183 E186 N187	N123-L193 PolarHBondContact ND2-O 3.39Å; F170-L193 HydrophobicContact CB-CD2 3.75Å; F170-L193 HydrophobicContact CD2-CD2 4.09Å; F170-L193 HydrophobicContact CG-CD2 4.29Å; L172-L193 HydrophobicContact CD1-CB 4.28Å; L172-L193 HydrophobicContact CD1-CD1 4.07Å; L172-L193 HydrophobicContact CD1-CD2 4.14Å; L172-L193 HydrophobicContact CD1-CG 4.41Å; L183-L193 HydrophobicContact CD1-CD1 3.62Å; L183-L193 HydrophobicContact CG-CD1 3.96Å; E186-L193 HydrophobicContact CB-CD1 4.44Å; E186-L193 HydrophobicContact CG-CD1 4.27Å; N187-L193 HydrophobicContact CB-CD1 4.04Å; N187-L193 HydrophobicContact CB-CG 4.38Å; N187-L193 WeakPolarHBondContact OD1-CB 3.46Å
194	I	97.8	Very high	94.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.5	164.3	-60.5	163.3	0	0	0	106.2	F119 M121 M137 L169 F170 V171 L172 W215	F119-I194 HydrophobicContact CD1-CG2 3.72Å; F119-I194 HydrophobicContact CE1-CG2 3.88Å; M121-I194 CarbonylContact O-C 3.54Å; M121-I194 WeakPolarHBondContact O-CA 3.47Å; M137-I194 HydrophobicContact CE-CD1 3.78Å; M137-I194 HydrophobicContact SD-CD1 4.47Å; L169-I194 HydrophobicContact CB-CD1 4.01Å; L169-I194 HydrophobicContact CD1-CD1 3.79Å; L169-I194 HydrophobicContact CG-CD1 4.46Å; F170-I194 PolarHBondContact O-N 2.77Å; V171-I194 CarbonylContact C-O 3.56Å; V171-I194 WeakPolarHBondContact CA-O 3.5Å; V171-I194 HydrophobicContact CG2-CB 4.27Å; V171-I194 HydrophobicContact CG2-CD1 4.26Å; L172-I194 PolarHBondContact N-O 2.84Å; I194-W215 HydrophobicContact CD1-CD2 3.44Å; I194-W215 VanDerWaalsContact CD1-CD2 3.44Å; I194-W215 VanDerWaalsContact CD1-CE2 3.45Å; I194-W215 HydrophobicContact CD1-CE3 3.88Å; I194-W215 HydrophobicContact CD1-CG 3.77Å; I194-W215 HydrophobicContact CD1-CH2 4.33Å; I194-W215 HydrophobicContact CD1-CZ2 3.93Å; I194-W215 HydrophobicContact CD1-CZ3 4.3Å; I194-W215 HydrophobicContact CG1-CD2 4.37Å; I194-W215 HydrophobicContact CG1-CG 4.49Å; I194-W215 HydrophobicContact CG1-CZ2 4.43Å; I194-W215 HydrophobicContact CG2-CG 4.24Å
195	Q	97	Very high	94.6	Very high	16 Å²	16	50 Å²	50	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.5	176.4	-169.5	-177.6	38	0	0	110.2	F119 V120 M121 L172 G173	F119-Q195 CarbonylContact C-O 3.52Å; F119-Q195 WeakPolarHBondContact CA-O 3.38Å; V120-Q195 HydrophobicContact CG2-CB 3.67Å; V120-Q195 HydrophobicContact CG2-CG 3.54Å; V120-Q195 WeakPolarHBondContact CG2-O 3.36Å; V120-Q195 VanDerWaalsContact CG2-OE1 3.26Å; V120-Q195 PolarHBondContact N-O 2.97Å; M121-Q195 HydrophobicContact CB-CB 4Å; M121-Q195 HydrophobicContact CE-CB 3.99Å; M121-Q195 PolarHBondContact N-O 3.45Å; M121-Q195 PolarHBondContact O-N 3.38Å; L172-Q195 HydrophobicContact CB-CB 4.14Å; L172-Q195 HydrophobicContact CB-CG 3.99Å; L172-Q195 WeakPolarHBondContact O-CA 3.31Å; G173-Q195 PolarHBondContact O-NE2 3.5Å
196	S	95.2	Very high	94.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.7	175.3	-171	0	0	0	0	111.3	Y117 R118 L172 G173 F198	Y117-S196 WeakPolarHBondContact CB-OG 3.34Å; R118-S196 WeakPolarHBondContact O-CA 3.31Å; R118-S196 PolarHBondContact O-OG 3.05Å; L172-S196 PolarHBondContact O-N 3.37Å; L172-S196 VanDerWaalsContact O-N 3.07Å; G173-S196 WeakPolarHBondContact CA-O 3.49Å; S196-F198 PolarHBondContact O-N 3.11Å
197	N	92.9	Very high	94.5	Very high	63 Å²	63	44.2 Å²	44.2	34%	0.337	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	42.8	-168.9	71.3	-24.6	0	0	0	115	Y117 R118 V120 L174	Y117-N197 VanDerWaalsContact CA-OD1 3.28Å; Y117-N197 WeakPolarHBondContact CA-OD1 3.29Å; R118-N197 PolarHBondContact N-OD1 2.94Å; R118-N197 PolarHBondContact O-N 2.79Å; R118-N197 VanDerWaalsContact O-N 3.13Å; R118-N197 PolarHBondContact O-OD1 3.34Å; V120-N197 HydrophobicContact CG1-CB 4.11Å; L174-N197 HydrophobicContact CD1-CB 4.17Å
198	F	92.3	Very high	94.6	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	150.9	171.7	68.2	-86.2	0	0	0	110.8	Y117 G173 L174 S196 D200 N204 I207 K208 V211	Y117-F198 HydrophobicContact CD1-CB 3.7Å; Y117-F198 HydrophobicContact CE1-CB 3.39Å; G173-F198 CarbonylContact C-O 3.6Å; G173-F198 VanDerWaalsContact CA-CZ 3.4Å; G173-F198 WeakPolarHBondContact CA-O 3.49Å; L174-F198 PolarHBondContact N-O 3.15Å; S196-F198 PolarHBondContact O-N 3.11Å; F198-D200 HydrophobicContact CE2-CB 4.46Å; F198-D200 PolarHBondContact O-N 3.03Å; F198-N204 HydrophobicContact CD2-CB 4.47Å; F198-I207 HydrophobicContact CB-CG2 3.57Å; F198-I207 HydrophobicContact CD1-CG2 3.94Å; F198-I207 HydrophobicContact CD2-CB 4.48Å; F198-I207 HydrophobicContact CD2-CG2 3.94Å; F198-I207 HydrophobicContact CG-CG2 3.54Å; F198-K208 HydrophobicContact CE1-CB 4.42Å; F198-K208 HydrophobicContact CE2-CB 3.76Å; F198-K208 HydrophobicContact CE2-CG 4.34Å; F198-K208 HydrophobicContact CZ-CB 3.52Å; F198-K208 HydrophobicContact CZ-CD 4.26Å; F198-K208 HydrophobicContact CZ-CG 3.7Å; F198-V211 HydrophobicContact CD1-CG2 4.12Å; F198-V211 HydrophobicContact CE1-CG2 4.16Å
199	L	92.6	Very high	94.6	Very high	80 Å²	80	37 Å²	37	42%	0.419	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.4	174.9	-175.7	70.3	0	0	0	110.3	K176 T201 N204	K176-L199 HydrophobicContact CG-CD1 4.32Å; L199-T201 HydrophobicContact CD2-CG2 3.78Å; L199-T201 HydrophobicContact CG-CG2 3.79Å; L199-T201 PolarHBondContact O-N 3.04Å; L199-T201 VanDerWaalsContact O-N 3.08Å; L199-N204 WeakPolarHBondContact O-CB 3.5Å; L199-N204 PolarHBondContact O-ND2 3.32Å
200	D	92.8	Very high	94.6	Very high	28 Å²	28	31.3 Å²	31.3	15%	0.15	16%	0.158	C	C	.	.			trans	-78.3	95.1	-176.4	-153.9	-28.5	0	0	0	111.3	P142 G173 L174 F198 K208	P142-D200 WeakPolarHBondContact CD-OD2 3.48Å; G173-D200 PolarHBondContact N-OD2 3.32Å; L174-D200 WeakPolarHBondContact O-CB 2.98Å; L174-D200 PolarHBondContact O-N 3.12Å; F198-D200 HydrophobicContact CE2-CB 4.46Å; F198-D200 PolarHBondContact O-N 3.03Å; D200-K208 WeakPolarHBondContact OD1-CE 3.3Å; D200-K208 IonicContact OD1-NZ 2.78Å; D200-K208 PolarHBondContact OD1-NZ 3.07Å; D200-K208 VanDerWaalsContact OD2-CE 3.25Å; D200-K208 WeakPolarHBondContact OD2-CE 3.31Å; D200-K208 IonicContact OD2-NZ 2.68Å; D200-K208 PolarHBondContact OD2-NZ 2.84Å
201	T	91.6	Very high	94.6	Very high	46 Å²	46	29 Å²	29	28%	0.282	15%	0.148	S	C	.	.			trans	-133.2	159.5	176.3	75	0	0	0	0	110.1	L199 L203 N204 L205	L199-T201 HydrophobicContact CD2-CG2 3.78Å; L199-T201 HydrophobicContact CG-CG2 3.79Å; L199-T201 PolarHBondContact O-N 3.04Å; L199-T201 VanDerWaalsContact O-N 3.08Å; T201-L203 PolarHBondContact O-N 3.44Å; T201-L203 PolarHBondContact OG1-N 3.45Å; T201-N204 PolarHBondContact O-N 3.15Å; T201-N204 PolarHBondContact OG1-N 3.47Å; T201-N204 PolarHBondContact OG1-ND2 2.71Å; T201-L205 PolarHBondContact O-N 2.74Å
202	Y	88.4	Confident	94.8	Very high	103 Å²	103	25.1 Å²	25.1	40%	0.404	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-55	-38.7	174.2	-178.5	-99	0	0	0	112.5	N204 L205 W273	Y202-N204 PolarHBondContact O-N 2.93Å; Y202-L205 HydrophobicContact CD2-CD1 3.55Å; Y202-L205 HydrophobicContact CE2-CD1 3.61Å; Y202-L205 HydrophobicContact CG-CD1 4.3Å; Y202-L205 WeakPolarHBondContact O-CD1 3.4Å; Y202-L205 VanDerWaalsContact O-CG 3.23Å; Y202-L205 WeakPolarHBondContact O-CG 3.46Å; Y202-L205 PolarHBondContact O-N 2.71Å; Y202-W273 PolarHBondContact OH-NE1 3.19Å
203	L	90.4	Very high	94.8	Very high	67 Å²	67	24.1 Å²	24.1	35%	0.351	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-70.9	-22	-179.5	-61.2	175.9	0	0	0	112.6	H110 T201 N315	H110-L203 HydrophobicContact CB-CD1 4.14Å; H110-L203 WeakPolarHBondContact CD2-CB 3.32Å; H110-L203 WeakPolarHBondContact CE1-CB 3.45Å; H110-L203 PolarHBondContact CE1-O 2.95Å; H110-L203 PolarHBondContact ND1-O 3.4Å; H110-L203 WeakPolarHBondContact NE2-CB 3.23Å; T201-L203 PolarHBondContact O-N 3.44Å; T201-L203 PolarHBondContact OG1-N 3.45Å; L203-N315 HydrophobicContact CB-CB 4.36Å; L203-N315 HydrophobicContact CD2-CB 3.94Å; L203-N315 WeakPolarHBondContact O-CB 3.25Å
204	N	93.2	Very high	94.8	Very high	20 Å²	20	26.6 Å²	26.6	11%	0.107	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-93.5	13.3	177.6	-72.7	-27.4	0	0	0	113.9	H110 F198 L199 T201 Y202 T206 I207 K208	H110-N204 PolarHBondContact CE1-OD1 3.11Å; H110-N204 PolarHBondContact NE2-OD1 3.41Å; F198-N204 HydrophobicContact CD2-CB 4.47Å; L199-N204 WeakPolarHBondContact O-CB 3.5Å; L199-N204 PolarHBondContact O-ND2 3.32Å; T201-N204 PolarHBondContact O-N 3.15Å; T201-N204 PolarHBondContact OG1-N 3.47Å; T201-N204 PolarHBondContact OG1-ND2 2.71Å; Y202-N204 PolarHBondContact O-N 2.93Å; N204-T206 PolarHBondContact O-N 3.43Å; N204-I207 HydrophobicContact CB-CD1 3.98Å; N204-I207 WeakPolarHBondContact O-CB 3.24Å; N204-I207 PolarHBondContact O-N 2.9Å; N204-I207 WeakPolarHBondContact OD1-CD1 3.4Å; N204-K208 PolarHBondContact O-N 3.4Å; N204-K208 VanDerWaalsContact O-N 3.11Å
205	L	94.3	Very high	94.8	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.131	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-33.8	177.9	-76	173.9	0	0	0	112.8	T201 Y202 I207 K208 T209 E317	T201-L205 PolarHBondContact O-N 2.74Å; Y202-L205 HydrophobicContact CD2-CD1 3.55Å; Y202-L205 HydrophobicContact CE2-CD1 3.61Å; Y202-L205 HydrophobicContact CG-CD1 4.3Å; Y202-L205 WeakPolarHBondContact O-CD1 3.4Å; Y202-L205 VanDerWaalsContact O-CG 3.23Å; Y202-L205 WeakPolarHBondContact O-CG 3.46Å; Y202-L205 PolarHBondContact O-N 2.71Å; L205-I207 VanDerWaalsContact C-N 3.33Å; L205-I207 PolarHBondContact O-N 2.69Å; L205-K208 WeakPolarHBondContact O-CB 3.17Å; L205-K208 PolarHBondContact O-N 2.81Å; L205-T209 PolarHBondContact O-N 3.17Å; L205-T209 PolarHBondContact O-OG1 2.7Å; L205-E317 HydrophobicContact CB-CB 4.06Å; L205-E317 HydrophobicContact CB-CG 4.49Å
206	T	95.6	Very high	94.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.012	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-40.8	174.1	-57.6	0	0	0	0	112.4	A112 N204 T209 M210 P313 F314 E317 Y320	A112-T206 HydrophobicContact CB-CG2 4.14Å; N204-T206 PolarHBondContact O-N 3.43Å; T206-T209 PolarHBondContact O-N 3.36Å; T206-M210 WeakPolarHBondContact O-CG 3.41Å; T206-M210 PolarHBondContact O-N 3.34Å; T206-P313 HydrophobicContact CG2-CB 4.21Å; T206-F314 WeakPolarHBondContact CB-O 3.09Å; T206-F314 PolarHBondContact OG1-O 3.46Å; T206-E317 WeakPolarHBondContact OG1-CA 3.21Å; T206-Y320 HydrophobicContact CG2-CD1 3.52Å; T206-Y320 HydrophobicContact CG2-CD2 4.16Å; T206-Y320 HydrophobicContact CG2-CE1 3.94Å; T206-Y320 HydrophobicContact CG2-CG 3.64Å
207	I	95.5	Very high	94.9	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-62.5	-48.7	173.3	-68.9	154	0	0	0	110.2	A112 Y117 F198 N204 L205 T209 M210 V211	A112-I207 HydrophobicContact CB-CD1 4.34Å; A112-I207 HydrophobicContact CB-CG1 4.16Å; Y117-I207 HydrophobicContact CD1-CG2 4.47Å; Y117-I207 HydrophobicContact CD2-CG2 3.75Å; Y117-I207 HydrophobicContact CE1-CG2 4.1Å; Y117-I207 HydrophobicContact CE2-CB 4.23Å; Y117-I207 HydrophobicContact CE2-CD1 4.46Å; Y117-I207 HydrophobicContact CE2-CG1 3.97Å; Y117-I207 HydrophobicContact CE2-CG2 3.28Å; Y117-I207 HydrophobicContact CG-CG2 4.32Å; Y117-I207 VanDerWaalsContact CZ-CG2 3.47Å; Y117-I207 WeakPolarHBondContact OH-CD1 3.39Å; F198-I207 HydrophobicContact CB-CG2 3.57Å; F198-I207 HydrophobicContact CD1-CG2 3.94Å; F198-I207 HydrophobicContact CD2-CB 4.48Å; F198-I207 HydrophobicContact CD2-CG2 3.94Å; F198-I207 HydrophobicContact CG-CG2 3.54Å; N204-I207 HydrophobicContact CB-CD1 3.98Å; N204-I207 WeakPolarHBondContact O-CB 3.24Å; N204-I207 PolarHBondContact O-N 2.9Å; N204-I207 WeakPolarHBondContact OD1-CD1 3.4Å; L205-I207 VanDerWaalsContact C-N 3.33Å; L205-I207 PolarHBondContact O-N 2.69Å; I207-T209 VanDerWaalsContact C-N 3.27Å; I207-T209 PolarHBondContact O-N 3.01Å; I207-M210 PolarHBondContact O-N 3.41Å; I207-M210 VanDerWaalsContact O-N 3.1Å; I207-V211 HydrophobicContact CG2-CG2 4.38Å; I207-V211 WeakPolarHBondContact O-CG2 3.18Å; I207-V211 PolarHBondContact O-N 3.49Å
208	K	96.6	Very high	95	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-42.9	178.5	-175.6	175.3	-66.7	-171.6	0	111.7	T139 V140 V171 F198 D200 N204 L205 V211 I212	T139-K208 HydrophobicContact CG2-CD 3.57Å; T139-K208 HydrophobicContact CG2-CG 3.99Å; V140-K208 PolarHBondContact O-NZ 3.02Å; V171-K208 HydrophobicContact CG1-CG 4.19Å; F198-K208 HydrophobicContact CE1-CB 4.42Å; F198-K208 HydrophobicContact CE2-CB 3.76Å; F198-K208 HydrophobicContact CE2-CG 4.34Å; F198-K208 HydrophobicContact CZ-CB 3.52Å; F198-K208 HydrophobicContact CZ-CD 4.26Å; F198-K208 HydrophobicContact CZ-CG 3.7Å; D200-K208 WeakPolarHBondContact OD1-CE 3.3Å; D200-K208 IonicContact OD1-NZ 2.78Å; D200-K208 PolarHBondContact OD1-NZ 3.07Å; D200-K208 VanDerWaalsContact OD2-CE 3.25Å; D200-K208 WeakPolarHBondContact OD2-CE 3.31Å; D200-K208 IonicContact OD2-NZ 2.68Å; D200-K208 PolarHBondContact OD2-NZ 2.84Å; N204-K208 PolarHBondContact O-N 3.4Å; N204-K208 VanDerWaalsContact O-N 3.11Å; L205-K208 WeakPolarHBondContact O-CB 3.17Å; L205-K208 PolarHBondContact O-N 2.81Å; K208-V211 WeakPolarHBondContact O-CB 3.39Å; K208-V211 PolarHBondContact O-N 2.68Å; K208-I212 WeakPolarHBondContact O-CG1 3.39Å; K208-I212 PolarHBondContact O-N 3.4Å
209	T	97.8	Very high	95.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-41.3	176.7	-65	0	0	0	0	112.1	L205 T206 I207 V211 I212 M213 Y294 E317 I321	L205-T209 PolarHBondContact O-N 3.17Å; L205-T209 PolarHBondContact O-OG1 2.7Å; T206-T209 PolarHBondContact O-N 3.36Å; I207-T209 VanDerWaalsContact C-N 3.27Å; I207-T209 PolarHBondContact O-N 3.01Å; T209-V211 VanDerWaalsContact C-N 3.3Å; T209-V211 PolarHBondContact O-N 3.46Å; T209-I212 VanDerWaalsContact O-CB 3.3Å; T209-I212 WeakPolarHBondContact O-CB 3.23Å; T209-I212 PolarHBondContact O-N 3.34Å; T209-I212 VanDerWaalsContact O-N 3.15Å; T209-M213 HydrophobicContact CG2-CE 4.05Å; T209-M213 WeakPolarHBondContact O-CG 3.48Å; T209-M213 PolarHBondContact O-N 2.94Å; T209-Y294 VanDerWaalsContact CG2-OH 3.29Å; T209-Y294 WeakPolarHBondContact CG2-OH 3.47Å; T209-E317 HydrophobicContact CG2-CG 4.37Å; T209-E317 WeakPolarHBondContact OG1-CG 3.49Å; T209-I321 HydrophobicContact CG2-CD1 3.82Å; T209-I321 HydrophobicContact CG2-CG1 3.86Å
210	M	97	Very high	95.3	Very high	29 Å²	29	26.4 Å²	26.4	14%	0.143	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-31.1	175.6	-65.5	-46.6	-57	0	0	112.6	T206 I207 M213 D214 F304 V305 Y320 I321	T206-M210 WeakPolarHBondContact O-CG 3.41Å; T206-M210 PolarHBondContact O-N 3.34Å; I207-M210 PolarHBondContact O-N 3.41Å; I207-M210 VanDerWaalsContact O-N 3.1Å; M210-M213 HydrophobicContact CE-CB 4.32Å; M210-M213 HydrophobicContact CE-CG 4.45Å; M210-M213 PolarHBondContact O-N 3.5Å; M210-M213 HydrophobicContact SD-CG 4.46Å; M210-D214 WeakPolarHBondContact O-CB 3.41Å; M210-D214 PolarHBondContact O-N 2.94Å; M210-F304 HydrophobicContact CE-CB 4.48Å; M210-V305 HydrophobicContact CE-CG2 4.17Å; M210-Y320 HydrophobicContact CG-CE1 4.16Å; M210-Y320 HydrophobicContact SD-CD1 4.3Å; M210-Y320 HydrophobicContact SD-CE1 3.78Å; M210-I321 HydrophobicContact SD-CD1 4.31Å
211	V	96.6	Very high	95.4	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-40.3	169.5	167.4	0	0	0	0	111.4	Y117 F119 V171 F198 I207 K208 T209 M213 D214 W215	Y117-V211 HydrophobicContact CD2-CG2 4.49Å; Y117-V211 HydrophobicContact CG-CG2 4.48Å; F119-V211 HydrophobicContact CD1-CG1 4.5Å; F119-V211 HydrophobicContact CE1-CG1 3.7Å; F119-V211 HydrophobicContact CZ-CG1 4.36Å; V171-V211 HydrophobicContact CG1-CG1 4.29Å; F198-V211 HydrophobicContact CD1-CG2 4.12Å; F198-V211 HydrophobicContact CE1-CG2 4.16Å; I207-V211 HydrophobicContact CG2-CG2 4.38Å; I207-V211 WeakPolarHBondContact O-CG2 3.18Å; I207-V211 PolarHBondContact O-N 3.49Å; K208-V211 WeakPolarHBondContact O-CB 3.39Å; K208-V211 PolarHBondContact O-N 2.68Å; T209-V211 VanDerWaalsContact C-N 3.3Å; T209-V211 PolarHBondContact O-N 3.46Å; V211-M213 VanDerWaalsContact C-N 3.33Å; V211-D214 PolarHBondContact O-N 3.08Å; V211-W215 WeakPolarHBondContact O-CB 3.02Å; V211-W215 PolarHBondContact O-N 2.94Å
212	I	98.3	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-48.2	171.6	-73.2	165.7	0	0	0	110.3	M137 T139 V171 K208 T209 W215 L216 K228	M137-I212 HydrophobicContact CB-CD1 4.12Å; M137-I212 HydrophobicContact CB-CG1 4.18Å; M137-I212 HydrophobicContact CB-CG2 3.76Å; M137-I212 HydrophobicContact CE-CB 4.21Å; M137-I212 HydrophobicContact CE-CG1 4.11Å; M137-I212 HydrophobicContact CE-CG2 3.85Å; M137-I212 HydrophobicContact CG-CG2 3.75Å; T139-I212 HydrophobicContact CG2-CD1 3.52Å; V171-I212 HydrophobicContact CB-CD1 4.34Å; V171-I212 HydrophobicContact CB-CG1 4.04Å; V171-I212 HydrophobicContact CG1-CG1 3.97Å; V171-I212 HydrophobicContact CG2-CD1 4.29Å; V171-I212 HydrophobicContact CG2-CG1 3.73Å; K208-I212 WeakPolarHBondContact O-CG1 3.39Å; K208-I212 PolarHBondContact O-N 3.4Å; T209-I212 VanDerWaalsContact O-CB 3.3Å; T209-I212 WeakPolarHBondContact O-CB 3.23Å; T209-I212 PolarHBondContact O-N 3.34Å; T209-I212 VanDerWaalsContact O-N 3.15Å; I212-W215 PolarHBondContact O-N 2.88Å; I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 3Å; I212-K228 HydrophobicContact CD1-CG 3.92Å
213	M	98.2	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-43.1	-179.4	-59.9	-53	171.7	0	0	111.8	T209 M210 V211 L216 A217 Y294 F296 P301 F304 V305 I321	T209-M213 HydrophobicContact CG2-CE 4.05Å; T209-M213 WeakPolarHBondContact O-CG 3.48Å; T209-M213 PolarHBondContact O-N 2.94Å; M210-M213 HydrophobicContact CE-CB 4.32Å; M210-M213 HydrophobicContact CE-CG 4.45Å; M210-M213 PolarHBondContact O-N 3.5Å; M210-M213 HydrophobicContact SD-CG 4.46Å; V211-M213 VanDerWaalsContact C-N 3.33Å; M213-L216 PolarHBondContact O-N 3Å; M213-A217 WeakPolarHBondContact O-CB 3.07Å; M213-A217 PolarHBondContact O-N 3.15Å; M213-Y294 HydrophobicContact CE-CE2 4.36Å; M213-F296 HydrophobicContact CE-CD1 4.49Å; M213-F296 HydrophobicContact CE-CE1 3.9Å; M213-F296 HydrophobicContact CE-CE2 4.38Å; M213-F296 HydrophobicContact CE-CZ 3.84Å; M213-F296 HydrophobicContact SD-CE2 3.97Å; M213-F296 HydrophobicContact SD-CZ 3.86Å; M213-P301 HydrophobicContact CB-CB 4.25Å; M213-P301 VanDerWaalsContact O-CB 3.29Å; M213-P301 WeakPolarHBondContact O-CB 3.44Å; M213-P301 HydrophobicContact SD-CB 4.22Å; M213-P301 HydrophobicContact SD-CG 4.15Å; M213-F304 HydrophobicContact CE-CD2 3.87Å; M213-F304 HydrophobicContact CE-CE2 4.22Å; M213-F304 HydrophobicContact CG-CB 4.28Å; M213-F304 HydrophobicContact CG-CD2 4.31Å; M213-F304 HydrophobicContact SD-CD2 3.83Å; M213-V305 HydrophobicContact CB-CG2 3.79Å; M213-I321 HydrophobicContact CE-CD1 3.95Å
214	D	96.4	Very high	96.3	Very high	52 Å²	52	23.7 Å²	23.7	28%	0.278	15%	0.145	S	C	.	.	H	α-helix	trans	-63.2	-44.1	177.2	-177	49.5	0	0	0	112.1	F119 M210 V211 L216 A217 T218 V305	F119-D214 VanDerWaalsContact CE2-OD2 3.27Å; F119-D214 WeakPolarHBondContact CE2-OD2 3.36Å; F119-D214 HydrophobicContact CZ-CB 4.45Å; F119-D214 WeakPolarHBondContact CZ-OD2 3.21Å; M210-D214 WeakPolarHBondContact O-CB 3.41Å; M210-D214 PolarHBondContact O-N 2.94Å; V211-D214 PolarHBondContact O-N 3.08Å; D214-L216 PolarHBondContact O-N 3.47Å; D214-A217 PolarHBondContact O-N 3.02Å; D214-T218 WeakPolarHBondContact O-CB 3.38Å; D214-T218 WeakPolarHBondContact O-CG2 3.37Å; D214-T218 PolarHBondContact O-N 3.26Å; D214-T218 PolarHBondContact O-OG1 3.04Å; D214-V305 HydrophobicContact CB-CG2 4.21Å
215	W	97.4	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-45.7	178.4	-167.5	92.4	0	0	0	111.9	F119 D122 V126 C127 M137 L169 I194 V211 I212 A217 T218 R219 C220	F119-W215 AromaticContact CD1-CD1 3.9Å; F119-W215 HydrophobicContact CE1-CB 3.78Å; F119-W215 AromaticContact CE1-CD1 3.57Å; F119-W215 HydrophobicContact CE1-CG 4.08Å; F119-W215 HydrophobicContact CZ-CB 3.77Å; F119-W215 AromaticContact CZ-CD1 3.95Å; F119-W215 HydrophobicContact CZ-CG 4.3Å; D122-W215 PolarHBondContact O-NE1 3.42Å; D122-W215 VanDerWaalsContact OD1-CD1 3.31Å; D122-W215 PolarHBondContact OD1-NE1 3.27Å; V126-W215 HydrophobicContact CG2-CH2 3.81Å; V126-W215 HydrophobicContact CG2-CZ2 3.98Å; C127-W215 HydrophobicContact CB-CH2 4.15Å; M137-W215 HydrophobicContact CE-CB 4.49Å; M137-W215 HydrophobicContact CE-CD2 4.44Å; M137-W215 HydrophobicContact CE-CE3 3.93Å; M137-W215 HydrophobicContact SD-CE3 4.46Å; L169-W215 HydrophobicContact CD1-CE3 4.37Å; L169-W215 HydrophobicContact CD1-CH2 3.37Å; L169-W215 HydrophobicContact CD1-CZ2 4.04Å; L169-W215 HydrophobicContact CD1-CZ3 3.56Å; I194-W215 HydrophobicContact CD1-CD2 3.44Å; I194-W215 VanDerWaalsContact CD1-CD2 3.44Å; I194-W215 VanDerWaalsContact CD1-CE2 3.45Å; I194-W215 HydrophobicContact CD1-CE3 3.88Å; I194-W215 HydrophobicContact CD1-CG 3.77Å; I194-W215 HydrophobicContact CD1-CH2 4.33Å; I194-W215 HydrophobicContact CD1-CZ2 3.93Å; I194-W215 HydrophobicContact CD1-CZ3 4.3Å; I194-W215 HydrophobicContact CG1-CD2 4.37Å; I194-W215 HydrophobicContact CG1-CG 4.49Å; I194-W215 HydrophobicContact CG1-CZ2 4.43Å; I194-W215 HydrophobicContact CG2-CG 4.24Å; V211-W215 WeakPolarHBondContact O-CB 3.02Å; V211-W215 PolarHBondContact O-N 2.94Å; I212-W215 PolarHBondContact O-N 2.88Å; W215-A217 PolarHBondContact O-N 3Å; W215-T218 PolarHBondContact O-N 3.28Å; W215-R219 HydrophobicContact CD2-CB 3.94Å; W215-R219 HydrophobicContact CD2-CG 4.1Å; W215-R219 HydrophobicContact CE3-CB 4.35Å; W215-R219 HydrophobicContact CG-CB 4.4Å; W215-R219 HydrophobicContact CG-CG 4.08Å; W215-R219 HydrophobicContact CH2-CB 4.27Å; W215-R219 HydrophobicContact CZ2-CB 3.86Å; W215-R219 HydrophobicContact CZ2-CG 4.38Å; W215-R219 WeakPolarHBondContact O-CA 3.41Å; W215-R219 WeakPolarHBondContact O-CB 3.33Å; W215-R219 PolarHBondContact O-N 3Å; W215-C220 HydrophobicContact CE3-CB 4.11Å; W215-C220 HydrophobicContact CH2-CB 4.05Å; W215-C220 HydrophobicContact CZ3-CB 3.45Å; W215-C220 VanDerWaalsContact CZ3-CB 3.45Å
216	L	97.8	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-44.3	176.6	-71.5	170.5	0	0	0	111.7	V135 M137 I212 M213 D214 T218 C220 A226 F296 P301	V135-L216 HydrophobicContact CB-CD2 4.15Å; V135-L216 HydrophobicContact CG1-CD2 4.13Å; V135-L216 HydrophobicContact CG2-CD2 4.41Å; M137-L216 HydrophobicContact CE-CD2 4.41Å; M137-L216 HydrophobicContact CE-CG 4.17Å; M137-L216 HydrophobicContact CG-CD1 4.1Å; M137-L216 HydrophobicContact CG-CD2 4.29Å; M137-L216 HydrophobicContact CG-CG 4.38Å; M137-L216 HydrophobicContact SD-CD2 4.08Å; M137-L216 HydrophobicContact SD-CG 4.4Å; I212-L216 HydrophobicContact CG2-CD1 3.88Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 3Å; M213-L216 PolarHBondContact O-N 3Å; D214-L216 PolarHBondContact O-N 3.47Å; L216-T218 VanDerWaalsContact C-N 3.3Å; L216-T218 PolarHBondContact O-N 3Å; L216-C220 HydrophobicContact CD2-CB 4.28Å; L216-C220 CarbonylContact O-C 3.45Å; L216-C220 PolarHBondContact O-N 3.44Å; L216-A226 HydrophobicContact CD1-CB 3.56Å; L216-A226 HydrophobicContact CD2-CB 4.05Å; L216-A226 HydrophobicContact CG-CB 4.48Å; L216-F296 HydrophobicContact CD1-CE2 3.6Å; L216-F296 HydrophobicContact CD1-CZ 3.67Å; L216-P301 HydrophobicContact CB-CB 3.92Å; L216-P301 HydrophobicContact CB-CG 3.85Å; L216-P301 HydrophobicContact CD1-CG 4.04Å
217	A	96.6	Very high	97	Very high	20 Å²	20	21.6 Å²	21.6	17%	0.165	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-35.8	179.6	0	0	0	0	0	113	M213 D214 W215 P301 T302	M213-A217 WeakPolarHBondContact O-CB 3.07Å; M213-A217 PolarHBondContact O-N 3.15Å; D214-A217 PolarHBondContact O-N 3.02Å; W215-A217 PolarHBondContact O-N 3Å; A217-P301 HydrophobicContact CB-CB 4.12Å; A217-T302 WeakPolarHBondContact CB-OG1 3.41Å
218	T	95.1	Very high	97.1	Very high	76 Å²	76	21.2 Å²	21.2	47%	0.466	13%	0.132	S	C	.	.	H	α-helix	trans	-103.3	-32.4	-170.7	57.9	0	0	0	0	114	D214 W215 L216	D214-T218 WeakPolarHBondContact O-CB 3.38Å; D214-T218 WeakPolarHBondContact O-CG2 3.37Å; D214-T218 PolarHBondContact O-N 3.26Å; D214-T218 PolarHBondContact O-OG1 3.04Å; W215-T218 PolarHBondContact O-N 3.28Å; L216-T218 VanDerWaalsContact C-N 3.3Å; L216-T218 PolarHBondContact O-N 3Å
219	R	95.6	Very high	97.2	Very high	63 Å²	63	21 Å²	21	24%	0.238	13%	0.131	C	C	.	.	H	α-helix	trans	-108.2	-24.4	-175.7	-50.2	-46.6	-164	-51.9	-9.5	113.9	D122 P124 W215 P221	D122-R219 IonicContact OD1-CZ 2.71Å; D122-R219 VanDerWaalsContact OD1-CZ 3.23Å; D122-R219 IonicContact OD1-NE 2.69Å; D122-R219 PolarHBondContact OD1-NE 3.38Å; D122-R219 IonicContact OD1-NH1 3.17Å; D122-R219 IonicContact OD1-NH2 3.83Å; D122-R219 PolarHBondContact OD1-NH2 2.95Å; D122-R219 VanDerWaalsContact OD1-NH2 3.14Å; D122-R219 IonicContact OD2-CZ 3.59Å; D122-R219 IonicContact OD2-NE 3.61Å; D122-R219 PolarHBondContact OD2-NE 3.36Å; D122-R219 IonicContact OD2-NH2 3.4Å; D122-R219 PolarHBondContact OD2-NH2 2.81Å; P124-R219 HydrophobicContact CB-CB 4.49Å; P124-R219 HydrophobicContact CB-CG 4.36Å; W215-R219 HydrophobicContact CD2-CB 3.94Å; W215-R219 HydrophobicContact CD2-CG 4.1Å; W215-R219 HydrophobicContact CE3-CB 4.35Å; W215-R219 HydrophobicContact CG-CB 4.4Å; W215-R219 HydrophobicContact CG-CG 4.08Å; W215-R219 HydrophobicContact CH2-CB 4.27Å; W215-R219 HydrophobicContact CZ2-CB 3.86Å; W215-R219 HydrophobicContact CZ2-CG 4.38Å; W215-R219 WeakPolarHBondContact O-CA 3.41Å; W215-R219 WeakPolarHBondContact O-CB 3.33Å; W215-R219 PolarHBondContact O-N 3Å; R219-P221 VanDerWaalsContact C-CD 3.44Å
220	C	96.6	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.141	C	C	.	.			trans	-134.1	44.7	-173.5	-160.7	0	0	0	0	114	C127 W215 L216 A222 A223 N298	C127-C220 HydrophobicContact CB-CB 3.61Å; C127-C220 WeakPolarHBondContact CB-SG 3.5Å; C127-C220 WeakPolarHBondContact SG-CA 3.37Å; C127-C220 WeakPolarHBondContact SG-CB 3.36Å; C127-C220 CovalentContact SG-SG 2.02Å; C127-C220 PolarHBondContact SG-SG 3.41Å; W215-C220 HydrophobicContact CE3-CB 4.11Å; W215-C220 HydrophobicContact CH2-CB 4.05Å; W215-C220 HydrophobicContact CZ3-CB 3.45Å; W215-C220 VanDerWaalsContact CZ3-CB 3.45Å; L216-C220 HydrophobicContact CD2-CB 4.28Å; L216-C220 CarbonylContact O-C 3.45Å; L216-C220 PolarHBondContact O-N 3.44Å; C220-A222 PolarHBondContact O-N 2.7Å; C220-A223 PolarHBondContact O-N 2.96Å; C220-N298 PolarHBondContact O-ND2 2.83Å
221	P	95.3	Very high	97.3	Very high	87 Å²	87	22.2 Å²	22.2	57%	0.565	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.5	-172.5	29.1	-37	0	0	0	113.7	R219 A223 N298	R219-P221 VanDerWaalsContact C-CD 3.44Å; P221-A223 VanDerWaalsContact C-N 3.34Å; P221-A223 PolarHBondContact O-N 3.33Å; P221-N298 PolarHBondContact O-ND2 2.78Å
222	A	94.8	Very high	97.3	Very high	61 Å²	61	25.1 Å²	25.1	50%	0.504	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.8	-175.5	0	0	0	0	0	114.4	S131 C220	S131-A222 WeakPolarHBondContact OG-CB 3.37Å; C220-A222 PolarHBondContact O-N 2.7Å
223	A	97.2	Very high	97.3	Very high	8 Å²	8	25.1 Å²	25.1	7%	0.066	16%	0.155	C	C	.	.			trans	-64	149.8	176.1	0	0	0	0	0	111.2	P132 V135 C220 P221 N298	P132-A223 HydrophobicContact CG-CB 3.93Å; P132-A223 WeakPolarHBondContact O-CA 3.34Å; P132-A223 WeakPolarHBondContact O-CB 3.5Å; V135-A223 HydrophobicContact CG2-CB 3.76Å; C220-A223 PolarHBondContact O-N 2.96Å; P221-A223 VanDerWaalsContact C-N 3.34Å; P221-A223 PolarHBondContact O-N 3.33Å; A223-N298 HydrophobicContact CB-CB 4.3Å; A223-N298 WeakPolarHBondContact O-CB 3.33Å; A223-N298 PolarHBondContact O-ND2 3.32Å
224	A	97.4	Very high	97.3	Very high	31 Å²	31	25.1 Å²	25.1	26%	0.256	16%	0.155	S	C	.	.	S	Bend	trans	-78.6	-48	176.4	0	0	0	0	0	111.2	P132 F133 N298	P132-A224 PolarHBondContact O-N 3.47Å; F133-A224 HydrophobicContact CD2-CB 4.1Å; F133-A224 HydrophobicContact CE2-CB 4.44Å; F133-A224 WeakPolarHBondContact O-CB 3.37Å; F133-A224 PolarHBondContact O-N 3.2Å; A224-N298 PolarHBondContact O-N 3.41Å; A224-N298 VanDerWaalsContact O-N 3.08Å
225	Y	98.8	Very high	97.4	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.9	179.5	-58.8	-79.6	0	0	0	111.1	F133 L134 V135 L244 I249 P250 Q251 Y254 F296	F133-Y225 HydrophobicContact CE1-CD2 4.22Å; F133-Y225 AromaticContact CE2-CD2 3.98Å; F133-Y225 HydrophobicContact CE2-CD2 3.98Å; F133-Y225 AromaticContact CE2-CE2 3.87Å; F133-Y225 HydrophobicContact CE2-CE2 3.87Å; F133-Y225 AromaticContact CZ-CD2 3.78Å; F133-Y225 HydrophobicContact CZ-CD2 3.78Å; F133-Y225 AromaticContact CZ-CE2 3.77Å; F133-Y225 HydrophobicContact CZ-CE2 3.77Å; F133-Y225 PolarHBondContact O-N 3.41Å; L134-Y225 WeakPolarHBondContact CA-O 3.45Å; V135-Y225 PolarHBondContact N-O 3.42Å; Y225-L244 HydrophobicContact CD1-CD2 4Å; Y225-L244 HydrophobicContact CD2-CB 4.28Å; Y225-L244 HydrophobicContact CD2-CD1 4.01Å; Y225-L244 HydrophobicContact CD2-CD2 4.31Å; Y225-L244 HydrophobicContact CD2-CG 4.43Å; Y225-L244 HydrophobicContact CE1-CD2 4.05Å; Y225-L244 HydrophobicContact CE2-CB 4.1Å; Y225-L244 HydrophobicContact CE2-CD2 4.33Å; Y225-L244 HydrophobicContact CG-CD1 4.04Å; Y225-L244 HydrophobicContact CG-CD2 4.13Å; Y225-I249 HydrophobicContact CE1-CG2 4.41Å; Y225-P250 WeakPolarHBondContact CE1-O 3.29Å; Y225-P250 PolarHBondContact OH-O 2.97Å; Y225-Q251 WeakPolarHBondContact OH-CG 3.1Å; Y225-Y254 HydrophobicContact CD1-CD1 4.47Å; Y225-Y254 HydrophobicContact CE1-CD1 4.01Å; Y225-F296 WeakPolarHBondContact CA-O 3.39Å
226	A	98.8	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.6	164.6	0	0	0	0	0	110	V135 L216 V295 F296	V135-A226 HydrophobicContact CB-CB 4.29Å; V135-A226 CarbonylContact O-C 3.51Å; V135-A226 WeakPolarHBondContact O-CA 3.43Å; L216-A226 HydrophobicContact CD1-CB 3.56Å; L216-A226 HydrophobicContact CD2-CB 4.05Å; L216-A226 HydrophobicContact CG-CB 4.48Å; A226-V295 WeakPolarHBondContact O-CA 3.32Å; A226-F296 HydrophobicContact CB-CD2 4.2Å; A226-F296 HydrophobicContact CB-CE2 3.54Å; A226-F296 HydrophobicContact CB-CZ 3.74Å; A226-F296 PolarHBondContact N-O 3.34Å; A226-F296 PolarHBondContact O-N 2.8Å
227	M	98.8	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.6	175	-179.5	178.9	-178.5	0	0	108.7	L134 V135 L136 M137 V229 L235 L240 Y294 V295 T358	L134-M227 HydrophobicContact CD1-CB 4.35Å; V135-M227 PolarHBondContact O-N 2.69Å; L136-M227 HydrophobicContact CD2-CB 3.87Å; L136-M227 HydrophobicContact CD2-CG 4.46Å; L136-M227 HydrophobicContact CD2-SD 4.13Å; M137-M227 PolarHBondContact N-O 3.45Å; M227-V229 HydrophobicContact CE-CB 4.05Å; M227-V229 HydrophobicContact CE-CG2 4Å; M227-V229 HydrophobicContact CG-CB 4.39Å; M227-L235 HydrophobicContact CE-CD1 3.74Å; M227-L235 HydrophobicContact SD-CD1 3.87Å; M227-L235 HydrophobicContact SD-CD2 4.12Å; M227-L240 HydrophobicContact SD-CD2 3.5Å; M227-L240 WeakPolarHBondContact SD-CD2 3.44Å; M227-Y294 VanDerWaalsContact CA-O 3.3Å; M227-Y294 WeakPolarHBondContact CA-O 3.16Å; M227-Y294 WeakPolarHBondContact CG-O 3.39Å; M227-V295 HydrophobicContact CB-CG2 4.14Å; M227-V295 HydrophobicContact CG-CG2 3.93Å; M227-V295 HydrophobicContact SD-CG2 4.04Å; M227-T358 HydrophobicContact CE-CG2 3.85Å
228	K	98.8	Very high	97.6	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.8	161.4	-179.9	-94.7	169.9	173.2	0	107.5	M137 T139 I212 D230 G291 G293 Y294 F296 E317	M137-K228 WeakPolarHBondContact O-CA 3.36Å; T139-K228 HydrophobicContact CG2-CG 4.18Å; T139-K228 WeakPolarHBondContact OG1-CE 3.18Å; I212-K228 HydrophobicContact CD1-CG 3.92Å; K228-D230 WeakPolarHBondContact CE-OD1 3.46Å; K228-D230 IonicContact NZ-OD1 3.01Å; K228-D230 PolarHBondContact NZ-OD1 2.71Å; K228-D230 IonicContact NZ-OD2 3.23Å; K228-G291 PolarHBondContact NZ-O 3.26Å; K228-G293 CarbonylContact O-C 3.48Å; K228-G293 WeakPolarHBondContact O-CA 3.3Å; K228-Y294 HydrophobicContact CB-CE1 4.27Å; K228-Y294 HydrophobicContact CB-CE2 3.93Å; K228-Y294 HydrophobicContact CD-CD1 4.45Å; K228-Y294 HydrophobicContact CD-CE1 3.73Å; K228-Y294 HydrophobicContact CG-CE1 4.45Å; K228-Y294 PolarHBondContact N-O 3.04Å; K228-Y294 PolarHBondContact O-N 3.44Å; K228-F296 HydrophobicContact CB-CE1 4.38Å; K228-E317 IonicContact NZ-OE1 2.77Å; K228-E317 PolarHBondContact NZ-OE1 2.87Å
229	V	98.7	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141.7	-179.5	65.1	0	0	0	0	110.9	M137 V138 T139 W155 M227 M233	M137-V229 PolarHBondContact O-N 2.89Å; V138-V229 CarbonylContact C-O 3.59Å; V138-V229 VanDerWaalsContact CA-O 3.32Å; V138-V229 WeakPolarHBondContact CA-O 3.37Å; V138-V229 HydrophobicContact CB-CG1 4.37Å; V138-V229 HydrophobicContact CG2-CG1 3.88Å; T139-V229 PolarHBondContact N-O 3.06Å; T139-V229 PolarHBondContact OG1-O 2.9Å; W155-V229 HydrophobicContact CH2-CG1 4.02Å; M227-V229 HydrophobicContact CE-CB 4.05Å; M227-V229 HydrophobicContact CE-CG2 4Å; M227-V229 HydrophobicContact CG-CB 4.39Å; V229-M233 HydrophobicContact CG2-CB 3.87Å; V229-M233 HydrophobicContact CG2-CG 3.75Å
230	D	98.4	Very high	97.9	Very high	40 Å²	40	18.4 Å²	18.4	21%	0.214	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	154.7	176.4	-70.5	-23.9	0	0	0	111.9	T139 K228 D232 M233 M292	T139-D230 PolarHBondContact OG1-OD1 3.03Å; K228-D230 WeakPolarHBondContact CE-OD1 3.46Å; K228-D230 IonicContact NZ-OD1 3.01Å; K228-D230 PolarHBondContact NZ-OD1 2.71Å; K228-D230 IonicContact NZ-OD2 3.23Å; D230-D232 VanDerWaalsContact CB-OD1 3.26Å; D230-D232 WeakPolarHBondContact CB-OD1 3.23Å; D230-D232 PolarHBondContact O-N 3.43Å; D230-M233 HydrophobicContact CB-CG 4.09Å; D230-M233 WeakPolarHBondContact O-CB 3.5Å; D230-M233 WeakPolarHBondContact O-CG 3.48Å; D230-M292 PolarHBondContact N-O 2.86Å
231	S	98.1	Very high	98	Very high	18 Å²	18	18.4 Å²	18.4	13%	0.126	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-11.1	-177.6	66	0	0	0	0	115.3	T139 M233	T139-S231 WeakPolarHBondContact O-CB 3.33Å; T139-S231 PolarHBondContact O-N 3.07Å; S231-M233 VanDerWaalsContact C-N 3.34Å
232	D	97.3	Very high	98.1	Very high	67 Å²	67	17.8 Å²	17.8	36%	0.358	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	28.1	178.9	61.5	-14.2	0	0	0	112	D230 L361	D230-D232 VanDerWaalsContact CB-OD1 3.26Å; D230-D232 WeakPolarHBondContact CB-OD1 3.23Å; D230-D232 PolarHBondContact O-N 3.43Å; D232-L361 WeakPolarHBondContact O-CA 3.28Å; D232-L361 VanDerWaalsContact O-CB 3.28Å; D232-L361 WeakPolarHBondContact O-CB 3.28Å; D232-L361 PolarHBondContact O-N 2.72Å
233	M	97.8	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144	-177.6	-61.4	-57.7	-67.8	0	0	112.7	W155 V229 D230 S231 M292 Y359 I360	W155-M233 PolarHBondContact NE1-O 3.49Å; V229-M233 HydrophobicContact CG2-CB 3.87Å; V229-M233 HydrophobicContact CG2-CG 3.75Å; D230-M233 HydrophobicContact CB-CG 4.09Å; D230-M233 WeakPolarHBondContact O-CB 3.5Å; D230-M233 WeakPolarHBondContact O-CG 3.48Å; S231-M233 VanDerWaalsContact C-N 3.34Å; M233-M292 HydrophobicContact CE-CB 3.86Å; M233-M292 HydrophobicContact CE-CG 4Å; M233-M292 HydrophobicContact CE-SD 4.09Å; M233-M292 WeakPolarHBondContact CG-O 3.28Å; M233-M292 HydrophobicContact SD-CB 3.86Å; M233-Y359 WeakPolarHBondContact CA-O 3.45Å; M233-Y359 WeakPolarHBondContact CE-O 3.37Å; M233-I360 HydrophobicContact CE-CG1 3.92Å; M233-I360 HydrophobicContact SD-CB 4.07Å; M233-I360 HydrophobicContact SD-CG1 3.51Å; M233-I360 VanDerWaalsContact SD-CG1 3.51Å
234	F	97.9	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.9	149.2	177.5	-76.9	0	0	0	107.7	N236 F353 Y359 L361 L367 W371 Y374	F234-N236 HydrophobicContact CE1-CB 4.16Å; F234-F353 HydrophobicContact CB-CE1 4.24Å; F234-F353 AromaticContact CD1-CD1 3.77Å; F234-F353 HydrophobicContact CD1-CD1 3.77Å; F234-F353 HydrophobicContact CD1-CE1 4.1Å; F234-F353 AromaticContact CD2-CD1 3.94Å; F234-F353 HydrophobicContact CD2-CD1 3.94Å; F234-F353 HydrophobicContact CD2-CE1 4.08Å; F234-F353 AromaticContact CE1-CD1 3.72Å; F234-F353 HydrophobicContact CE1-CD1 3.72Å; F234-F353 HydrophobicContact CE1-CE1 4.5Å; F234-F353 AromaticContact CE2-CD1 3.86Å; F234-F353 HydrophobicContact CE2-CD1 3.86Å; F234-F353 HydrophobicContact CE2-CE1 4.44Å; F234-F353 AromaticContact CG-CD1 3.9Å; F234-F353 HydrophobicContact CG-CD1 3.9Å; F234-F353 AromaticContact CG-CE1 3.9Å; F234-F353 HydrophobicContact CG-CE1 3.9Å; F234-F353 HydrophobicContact CZ-CB 4.43Å; F234-F353 AromaticContact CZ-CD1 3.78Å; F234-F353 HydrophobicContact CZ-CD1 3.78Å; F234-Y359 PolarHBondContact N-O 3.09Å; F234-Y359 PolarHBondContact O-N 3.12Å; F234-L361 HydrophobicContact CB-CD1 3.92Å; F234-L361 HydrophobicContact CB-CD2 4.31Å; F234-L361 HydrophobicContact CB-CG 4.15Å; F234-L367 HydrophobicContact CB-CD1 4.45Å; F234-L367 HydrophobicContact CD2-CD1 4.31Å; F234-W371 HydrophobicContact CD2-CE3 4.05Å; F234-W371 AromaticContact CE2-CE3 3.44Å; F234-W371 HydrophobicContact CE2-CE3 3.44Å; F234-W371 VanDerWaalsContact CE2-CE3 3.44Å; F234-W371 AromaticContact CE2-CZ3 3.92Å; F234-W371 HydrophobicContact CE2-CZ3 3.92Å; F234-W371 AromaticContact CZ-CE3 3.86Å; F234-W371 HydrophobicContact CZ-CE3 3.86Å; F234-W371 AromaticContact CZ-CZ3 3.85Å; F234-W371 HydrophobicContact CZ-CZ3 3.85Å; F234-Y374 HydrophobicContact CE2-CD1 4.46Å; F234-Y374 HydrophobicContact CE2-CG 4.41Å; F234-Y374 HydrophobicContact CZ-CD1 4.01Å; F234-Y374 HydrophobicContact CZ-CD2 4.38Å; F234-Y374 HydrophobicContact CZ-CE1 4.36Å; F234-Y374 HydrophobicContact CZ-CG 4.03Å
235	L	98.5	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.6	178.6	-176.1	64.9	0	0	0	110	L136 W155 M227 V237 L240 I357 T358	L136-L235 HydrophobicContact CD1-CD2 3.88Å; L136-L235 HydrophobicContact CD2-CD2 3.89Å; W155-L235 HydrophobicContact CB-CB 4.43Å; W155-L235 WeakPolarHBondContact CB-O 3.39Å; W155-L235 HydrophobicContact CD2-CB 3.81Å; W155-L235 HydrophobicContact CD2-CD2 4.47Å; W155-L235 HydrophobicContact CE3-CB 4.13Å; W155-L235 HydrophobicContact CE3-CD2 3.92Å; W155-L235 HydrophobicContact CG-CB 3.95Å; W155-L235 HydrophobicContact CZ3-CD2 4.02Å; M227-L235 HydrophobicContact CE-CD1 3.74Å; M227-L235 HydrophobicContact SD-CD1 3.87Å; M227-L235 HydrophobicContact SD-CD2 4.12Å; L235-V237 HydrophobicContact CD2-CG2 3.94Å; L235-V237 HydrophobicContact CG-CG2 4Å; L235-V237 PolarHBondContact O-N 2.81Å; L235-L240 HydrophobicContact CD1-CD2 4.4Å; L235-I357 CarbonylContact C-O 3.56Å; L235-I357 WeakPolarHBondContact CA-O 3.4Å; L235-I357 HydrophobicContact CD1-CG2 3.92Å; L235-T358 HydrophobicContact CD1-CG2 4.14Å
236	N	98.3	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.			trans	-89.5	89.6	170.5	-165.5	-36.2	0	0	0	109.2	F234 D238 N239 L240 F353 I356 I357 Y374	F234-N236 HydrophobicContact CE1-CB 4.16Å; N236-D238 VanDerWaalsContact C-N 3.28Å; N236-D238 PolarHBondContact O-N 3.18Å; N236-D238 PolarHBondContact OD1-N 3.3Å; N236-N239 HydrophobicContact CB-CB 4.13Å; N236-N239 PolarHBondContact ND2-ND2 3.48Å; N236-N239 PolarHBondContact O-N 2.88Å; N236-N239 PolarHBondContact OD1-N 2.96Å; N236-N239 VanDerWaalsContact OD1-N 3.12Å; N236-L240 PolarHBondContact O-N 3.01Å; N236-L240 VanDerWaalsContact O-N 3.09Å; N236-F353 PolarHBondContact ND2-O 2.92Å; N236-I356 WeakPolarHBondContact CB-O 3.34Å; N236-I357 PolarHBondContact N-O 3.43Å; N236-Y374 PolarHBondContact ND2-OH 3.48Å
237	V	98.7	Very high	98.2	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-33.3	-176.6	-172.4	0	0	0	0	111.4	L136 W155 V161 V166 L235 L240 V241	L136-V237 HydrophobicContact CD1-CG2 4.06Å; W155-V237 HydrophobicContact CB-CG2 4.26Å; W155-V237 WeakPolarHBondContact O-CG2 3.16Å; V161-V237 HydrophobicContact CB-CG1 4.22Å; V161-V237 HydrophobicContact CG1-CB 4.33Å; V161-V237 HydrophobicContact CG1-CG1 3.97Å; V161-V237 HydrophobicContact CG2-CG1 4.05Å; V166-V237 HydrophobicContact CG1-CG1 4.12Å; V166-V237 HydrophobicContact CG2-CG1 4.27Å; L235-V237 HydrophobicContact CD2-CG2 3.94Å; L235-V237 HydrophobicContact CG-CG2 4Å; L235-V237 PolarHBondContact O-N 2.81Å; V237-L240 PolarHBondContact O-N 3.09Å; V237-V241 HydrophobicContact CG1-CG2 4.24Å; V237-V241 WeakPolarHBondContact O-CG2 3.43Å; V237-V241 PolarHBondContact O-N 2.94Å
238	D	98.3	Very high	98	Very high	40 Å²	40	32 Å²	32	21%	0.214	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-53.1	174.3	-69.1	-75.8	0	0	0	111.2	V161 Q162 N236 L240 V241 I242	V161-D238 HydrophobicContact CG1-CB 4.43Å; V161-D238 WeakPolarHBondContact CG1-OD1 3.48Å; Q162-D238 HydrophobicContact CG-CB 4.3Å; Q162-D238 PolarHBondContact NE2-OD1 2.94Å; N236-D238 VanDerWaalsContact C-N 3.28Å; N236-D238 PolarHBondContact O-N 3.18Å; N236-D238 PolarHBondContact OD1-N 3.3Å; D238-L240 VanDerWaalsContact C-N 3.28Å; D238-L240 PolarHBondContact O-N 3.28Å; D238-V241 PolarHBondContact O-N 2.96Å; D238-I242 WeakPolarHBondContact O-CB 3.22Å; D238-I242 WeakPolarHBondContact O-CD1 3.4Å; D238-I242 VanDerWaalsContact O-CG1 3.25Å; D238-I242 WeakPolarHBondContact O-CG1 3.2Å; D238-I242 PolarHBondContact O-N 3.4Å
239	N	98.5	Very high	98	Very high	26 Å²	26	33.2 Å²	33.2	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-36.6	178.7	-75.1	-13	0	0	0	112.4	N236 M243 S354 I356 I357	N236-N239 HydrophobicContact CB-CB 4.13Å; N236-N239 PolarHBondContact ND2-ND2 3.48Å; N236-N239 PolarHBondContact O-N 2.88Å; N236-N239 PolarHBondContact OD1-N 2.96Å; N236-N239 VanDerWaalsContact OD1-N 3.12Å; N239-M243 WeakPolarHBondContact O-CB 3.25Å; N239-M243 PolarHBondContact O-N 3.38Å; N239-S354 PolarHBondContact ND2-O 3.49Å; N239-I356 PolarHBondContact ND2-O 2.65Å; N239-I357 HydrophobicContact CB-CG1 3.79Å
240	L	98.8	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-49.8	176.3	175.7	54.9	0	0	0	111.5	L134 L136 M227 L235 N236 V237 D238 I242 M243 L244 V295 I357	L134-L240 HydrophobicContact CD2-CD2 3.65Å; L134-L240 HydrophobicContact CD2-CG 4.04Å; L136-L240 HydrophobicContact CD2-CD2 4.25Å; M227-L240 HydrophobicContact SD-CD2 3.5Å; M227-L240 WeakPolarHBondContact SD-CD2 3.44Å; L235-L240 HydrophobicContact CD1-CD2 4.4Å; N236-L240 PolarHBondContact O-N 3.01Å; N236-L240 VanDerWaalsContact O-N 3.09Å; V237-L240 PolarHBondContact O-N 3.09Å; D238-L240 VanDerWaalsContact C-N 3.28Å; D238-L240 PolarHBondContact O-N 3.28Å; L240-I242 PolarHBondContact O-N 3.32Å; L240-M243 HydrophobicContact CD1-CE 4Å; L240-M243 WeakPolarHBondContact O-CB 3.32Å; L240-M243 PolarHBondContact O-N 2.93Å; L240-L244 HydrophobicContact CD1-CD1 3.91Å; L240-L244 HydrophobicContact CD1-CG 4.13Å; L240-L244 HydrophobicContact CG-CD1 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.19Å; L240-L244 PolarHBondContact O-N 2.87Å; L240-V295 HydrophobicContact CD1-CG2 3.65Å; L240-I357 HydrophobicContact CB-CG2 3.96Å; L240-I357 HydrophobicContact CD1-CG2 4.38Å
241	V	98.8	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-41.7	179.1	176.1	0	0	0	0	110.6	F133 L134 V161 Q162 E164 V166 V237 D238 M243 L244 K245	F133-V241 HydrophobicContact CD1-CG1 4.32Å; F133-V241 HydrophobicContact CE1-CG1 3.96Å; F133-V241 HydrophobicContact CE1-CG2 4.45Å; L134-V241 HydrophobicContact CD2-CG2 4.25Å; V161-V241 HydrophobicContact CB-CG2 4.45Å; V161-V241 HydrophobicContact CG1-CG2 4.25Å; Q162-V241 HydrophobicContact CB-CB 4.17Å; Q162-V241 HydrophobicContact CB-CG1 3.7Å; Q162-V241 HydrophobicContact CG-CB 4.34Å; Q162-V241 HydrophobicContact CG-CG1 4.4Å; E164-V241 HydrophobicContact CB-CG1 4.09Å; E164-V241 HydrophobicContact CG-CG1 3.74Å; V166-V241 HydrophobicContact CG2-CG2 4.07Å; V237-V241 HydrophobicContact CG1-CG2 4.24Å; V237-V241 WeakPolarHBondContact O-CG2 3.43Å; V237-V241 PolarHBondContact O-N 2.94Å; D238-V241 PolarHBondContact O-N 2.96Å; V241-M243 VanDerWaalsContact C-N 3.32Å; V241-M243 PolarHBondContact O-N 2.73Å; V241-L244 PolarHBondContact O-N 2.84Å; V241-K245 HydrophobicContact CG1-CD 3.69Å; V241-K245 HydrophobicContact CG1-CG 4.28Å; V241-K245 WeakPolarHBondContact O-CB 3.37Å; V241-K245 VanDerWaalsContact O-CG 3.32Å; V241-K245 WeakPolarHBondContact O-CG 3.38Å; V241-K245 PolarHBondContact O-N 3.22Å
242	I	98.6	Very high	97.8	Very high	74 Å²	74	46.7 Å²	46.7	38%	0.379	26%	0.257	S	S	.	.	H	α-helix	trans	-56.9	-46.5	173.7	-71.1	163.5	0	0	0	110.6	Q162 D238 L240 K245 K246	Q162-I242 HydrophobicContact CG-CD1 4.39Å; Q162-I242 HydrophobicContact CG-CG1 4.03Å; D238-I242 WeakPolarHBondContact O-CB 3.22Å; D238-I242 WeakPolarHBondContact O-CD1 3.4Å; D238-I242 VanDerWaalsContact O-CG1 3.25Å; D238-I242 WeakPolarHBondContact O-CG1 3.2Å; D238-I242 PolarHBondContact O-N 3.4Å; L240-I242 PolarHBondContact O-N 3.32Å; I242-K245 PolarHBondContact O-N 3.17Å; I242-K246 PolarHBondContact O-N 2.82Å
243	M	98.4	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-47.6	177.9	-175.5	-164.4	72.8	0	0	111.3	N239 L240 V241 K245 K246 I249 T256 P335 P336 F341 I357	N239-M243 WeakPolarHBondContact O-CB 3.25Å; N239-M243 PolarHBondContact O-N 3.38Å; L240-M243 HydrophobicContact CD1-CE 4Å; L240-M243 WeakPolarHBondContact O-CB 3.32Å; L240-M243 PolarHBondContact O-N 2.93Å; V241-M243 VanDerWaalsContact C-N 3.32Å; V241-M243 PolarHBondContact O-N 2.73Å; M243-K245 VanDerWaalsContact C-N 3.28Å; M243-K245 PolarHBondContact O-N 3.45Å; M243-K246 WeakPolarHBondContact O-CB 3.4Å; M243-K246 PolarHBondContact O-N 2.98Å; M243-I249 WeakPolarHBondContact O-CG1 3.48Å; M243-T256 HydrophobicContact CE-CG2 4.15Å; M243-P335 HydrophobicContact SD-CB 4.01Å; M243-P336 HydrophobicContact CG-CG 4.21Å; M243-F341 HydrophobicContact CE-CE2 4.15Å; M243-F341 HydrophobicContact CE-CZ 4.03Å; M243-F341 HydrophobicContact SD-CE2 3.7Å; M243-F341 HydrophobicContact SD-CZ 4.18Å; M243-I357 HydrophobicContact CB-CD1 4.21Å; M243-I357 HydrophobicContact CE-CD1 4.43Å; M243-I357 HydrophobicContact SD-CD1 3.75Å
244	L	98.6	Very high	97.9	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-68.8	-23.8	-176.9	-68.6	172.5	0	0	0	113.9	F133 L134 Y225 L240 V241 I249 Y254 V295	F133-L244 HydrophobicContact CE1-CB 4Å; F133-L244 HydrophobicContact CE1-CD1 4.15Å; F133-L244 HydrophobicContact CZ-CB 3.77Å; L134-L244 HydrophobicContact CD1-CD1 4.24Å; Y225-L244 HydrophobicContact CD1-CD2 4Å; Y225-L244 HydrophobicContact CD2-CB 4.28Å; Y225-L244 HydrophobicContact CD2-CD1 4.01Å; Y225-L244 HydrophobicContact CD2-CD2 4.31Å; Y225-L244 HydrophobicContact CD2-CG 4.43Å; Y225-L244 HydrophobicContact CE1-CD2 4.05Å; Y225-L244 HydrophobicContact CE2-CB 4.1Å; Y225-L244 HydrophobicContact CE2-CD2 4.33Å; Y225-L244 HydrophobicContact CG-CD1 4.04Å; Y225-L244 HydrophobicContact CG-CD2 4.13Å; L240-L244 HydrophobicContact CD1-CD1 3.91Å; L240-L244 HydrophobicContact CD1-CG 4.13Å; L240-L244 HydrophobicContact CG-CD1 4.15Å; L240-L244 WeakPolarHBondContact O-CG 3.19Å; L240-L244 PolarHBondContact O-N 2.87Å; V241-L244 PolarHBondContact O-N 2.84Å; L244-I249 HydrophobicContact CD2-CG2 4.29Å; L244-Y254 HydrophobicContact CD2-CE1 4.19Å; L244-V295 HydrophobicContact CD1-CG1 4.13Å; L244-V295 HydrophobicContact CD2-CG1 3.92Å
245	K	97.9	Very high	97.9	Very high	99 Å²	99	46.8 Å²	46.8	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.3	175.8	-70.4	174.9	69.9	145.7	0	113.6	F133 Q162 E164 V241 I242 M243	F133-K245 HydrophobicContact CE2-CG 4.48Å; F133-K245 HydrophobicContact CZ-CG 3.97Å; Q162-K245 PolarHBondContact O-NZ 3.36Å; E164-K245 HydrophobicContact CG-CD 3.85Å; E164-K245 WeakPolarHBondContact OE1-CE 3.35Å; E164-K245 IonicContact OE1-NZ 3.86Å; E164-K245 PolarHBondContact OE1-NZ 3.14Å; V241-K245 HydrophobicContact CG1-CD 3.69Å; V241-K245 HydrophobicContact CG1-CG 4.28Å; V241-K245 WeakPolarHBondContact O-CB 3.37Å; V241-K245 VanDerWaalsContact O-CG 3.32Å; V241-K245 WeakPolarHBondContact O-CG 3.38Å; V241-K245 PolarHBondContact O-N 3.22Å; I242-K245 PolarHBondContact O-N 3.17Å; M243-K245 VanDerWaalsContact C-N 3.28Å; M243-K245 PolarHBondContact O-N 3.45Å
246	K	97.3	Very high	97.9	Very high	85 Å²	85	46.8 Å²	46.8	37%	0.37	26%	0.257	S	S	.	.	S	Bend	trans	-60.7	139.9	178.9	-73.7	178.2	180	176.2	0	110.5	I242 M243 G248 I249	I242-K246 PolarHBondContact O-N 2.82Å; M243-K246 WeakPolarHBondContact O-CB 3.4Å; M243-K246 PolarHBondContact O-N 2.98Å; K246-G248 PolarHBondContact O-N 3.38Å; K246-I249 HydrophobicContact CB-CG1 4.08Å; K246-I249 WeakPolarHBondContact O-CG1 3.45Å; K246-I249 PolarHBondContact O-N 3.03Å
247	P	96	Very high	97.9	Very high	134 Å²	134	46.8 Å²	46.8	87%	0.87	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	137.1	171.6	-25.3	34.3	0	0	0	111.3
248	G	95.1	Very high	97.9	Very high	77 Å²	77	49.1 Å²	49.1	79%	0.794	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	-4.8	179	0	0	0	0	0	115.4	K246 P250	K246-G248 PolarHBondContact O-N 3.38Å; G248-P250 VanDerWaalsContact O-CD 3.32Å; G248-P250 WeakPolarHBondContact O-CD 3.33Å
249	I	97.6	Very high	97.9	Very high	26 Å²	26	48.4 Å²	48.4	13%	0.133	27%	0.265	C	S	.	.			trans	-71.3	121.2	168.8	-58.7	-55.7	0	0	0	109.7	Y225 M243 L244 K246 Y254 P336	Y225-I249 HydrophobicContact CE1-CG2 4.41Å; M243-I249 WeakPolarHBondContact O-CG1 3.48Å; L244-I249 HydrophobicContact CD2-CG2 4.29Å; K246-I249 HydrophobicContact CB-CG1 4.08Å; K246-I249 WeakPolarHBondContact O-CG1 3.45Å; K246-I249 PolarHBondContact O-N 3.03Å; I249-Y254 HydrophobicContact CG2-CD1 4.15Å; I249-Y254 HydrophobicContact CG2-CE1 3.64Å; I249-P336 HydrophobicContact CD1-CG 3.51Å
250	P	97.1	Very high	97.8	Very high	56 Å²	56	47.6 Å²	47.6	36%	0.364	26%	0.26	S	S	.	.			trans	-72.1	135.3	-179	-13.5	27.8	0	0	0	112.1	Y225 G248 K252 Y254	Y225-P250 WeakPolarHBondContact CE1-O 3.29Å; Y225-P250 PolarHBondContact OH-O 2.97Å; G248-P250 VanDerWaalsContact O-CD 3.32Å; G248-P250 WeakPolarHBondContact O-CD 3.33Å; P250-K252 VanDerWaalsContact C-N 3.32Å; P250-Y254 HydrophobicContact CB-CD2 4.43Å; P250-Y254 HydrophobicContact CB-CG 4.47Å; P250-Y254 HydrophobicContact CG-CD2 3.99Å; P250-Y254 HydrophobicContact CG-CG 4.48Å; P250-Y254 VanDerWaalsContact O-CB 3.26Å; P250-Y254 WeakPolarHBondContact O-CB 3.44Å
251	Q	95.9	Very high	97.8	Very high	134 Å²	134	54.4 Å²	54.4	63%	0.626	29%	0.286	S	S	*	.	S	Bend	trans	-87.6	0.3	173.9	-68.6	-178	-17.3	0	0	113.5	Y225 S297	Y225-Q251 WeakPolarHBondContact OH-CG 3.1Å; Q251-S297 VanDerWaalsContact C-CB 3.49Å; Q251-S297 VanDerWaalsContact O-CB 3.23Å; Q251-S297 WeakPolarHBondContact O-CB 3.47Å
252	K	98.1	Very high	97.6	Very high	151 Å²	151	60.3 Å²	60.3	66%	0.657	32%	0.318	S	S	*	.	S	Bend	trans	-140.6	149.8	179.4	-67.6	-172.9	179.8	-180	0	110.4	P250 Y254 S297 D299	P250-K252 VanDerWaalsContact C-N 3.32Å; K252-Y254 PolarHBondContact O-N 2.93Å; K252-Y254 VanDerWaalsContact O-N 3.11Å; K252-S297 VanDerWaalsContact C-OG 3.31Å; K252-S297 WeakPolarHBondContact CA-OG 3.43Å; K252-D299 VanDerWaalsContact CA-OD1 3.32Å; K252-D299 WeakPolarHBondContact CA-OD1 3.48Å
253	N	98.4	Very high	97.6	Very high	66 Å²	66	61.2 Å²	61.2	35%	0.353	32%	0.317	S	S	.	.	S	Bend	trans	51.6	29.8	-179.8	-63.1	-42	0	0	0	113.9	S297 D299 K303 L330	N253-S297 PolarHBondContact N-OG 3.37Å; N253-S297 VanDerWaalsContact N-OG 3.08Å; N253-D299 PolarHBondContact N-OD1 2.97Å; N253-D299 PolarHBondContact N-OD2 2.68Å; N253-D299 VanDerWaalsContact N-OD2 3.17Å; N253-D299 PolarHBondContact OD1-OD2 2.98Å; N253-K303 PolarHBondContact OD1-NZ 3.46Å; N253-L330 HydrophobicContact CB-CD1 3.81Å; N253-L330 HydrophobicContact CB-CD2 4.06Å; N253-L330 WeakPolarHBondContact OD1-CD1 3.43Å
254	Y	98.7	Very high	97.6	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.012	34%	0.343	C	S	.	.			trans	-106.4	125.7	-174.4	-175.7	-123.1	0	0	0	110.1	Y225 L244 I249 P250 K252 T256 F296 S297 L300 T333	Y225-Y254 HydrophobicContact CD1-CD1 4.47Å; Y225-Y254 HydrophobicContact CE1-CD1 4.01Å; L244-Y254 HydrophobicContact CD2-CE1 4.19Å; I249-Y254 HydrophobicContact CG2-CD1 4.15Å; I249-Y254 HydrophobicContact CG2-CE1 3.64Å; P250-Y254 HydrophobicContact CB-CD2 4.43Å; P250-Y254 HydrophobicContact CB-CG 4.47Å; P250-Y254 HydrophobicContact CG-CD2 3.99Å; P250-Y254 HydrophobicContact CG-CG 4.48Å; P250-Y254 VanDerWaalsContact O-CB 3.26Å; P250-Y254 WeakPolarHBondContact O-CB 3.44Å; K252-Y254 PolarHBondContact O-N 2.93Å; K252-Y254 VanDerWaalsContact O-N 3.11Å; Y254-T256 HydrophobicContact CE1-CG2 3.58Å; Y254-T256 HydrophobicContact CE2-CG2 4.43Å; Y254-T256 VanDerWaalsContact OH-CG2 3.31Å; Y254-T256 WeakPolarHBondContact OH-CG2 3.15Å; Y254-F296 CarbonylContact O-C 3.09Å; Y254-F296 WeakPolarHBondContact O-CA 3.28Å; Y254-F296 WeakPolarHBondContact O-CB 3.42Å; Y254-S297 PolarHBondContact N-OG 2.77Å; Y254-S297 PolarHBondContact O-N 2.97Å; Y254-S297 PolarHBondContact O-OG 3.01Å; Y254-L300 WeakPolarHBondContact O-CD1 3.38Å; Y254-T333 HydrophobicContact CD2-CG2 4.39Å; Y254-T333 HydrophobicContact CE2-CG2 3.84Å
255	L	98.8	Very high	97.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.6	171.2	171.7	64.7	0	0	0	107.5	T289 Y294 V295 F296 L300 F304 I321 I325 P332 T333	L255-T289 HydrophobicContact CD1-CG2 4.2Å; L255-T289 HydrophobicContact CD2-CG2 4.46Å; L255-T289 HydrophobicContact CG-CG2 3.98Å; L255-Y294 HydrophobicContact CD1-CD2 3.72Å; L255-Y294 HydrophobicContact CD1-CE2 4.45Å; L255-Y294 HydrophobicContact CD1-CG 4.38Å; L255-V295 CarbonylContact C-O 3.58Å; L255-V295 WeakPolarHBondContact CA-O 3.25Å; L255-F296 HydrophobicContact CD1-CB 4.02Å; L255-F296 HydrophobicContact CD1-CD1 4.5Å; L255-L300 HydrophobicContact CB-CD1 4.12Å; L255-F304 HydrophobicContact CD2-CZ 4.48Å; L255-I321 HydrophobicContact CD2-CG2 3.92Å; L255-I325 HydrophobicContact CB-CD1 3.54Å; L255-I325 HydrophobicContact CD2-CB 4.38Å; L255-I325 HydrophobicContact CD2-CD1 3.59Å; L255-I325 HydrophobicContact CD2-CG2 4.21Å; L255-I325 HydrophobicContact CG-CD1 4.2Å; L255-P332 HydrophobicContact CD2-CB 4.46Å; L255-P332 HydrophobicContact CD2-CG 4.18Å; L255-P332 HydrophobicContact CG-CB 4.49Å; L255-P332 CarbonylContact O-C 3.56Å; L255-P332 WeakPolarHBondContact O-CA 3.42Å; L255-T333 PolarHBondContact O-N 2.71Å
256	T	98.7	Very high	97.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	165	-177.5	-160.6	0	0	0	0	112.5	M243 Y254 Y294 V295 T333 P335	M243-T256 HydrophobicContact CE-CG2 4.15Å; Y254-T256 HydrophobicContact CE1-CG2 3.58Å; Y254-T256 HydrophobicContact CE2-CG2 4.43Å; Y254-T256 VanDerWaalsContact OH-CG2 3.31Å; Y254-T256 WeakPolarHBondContact OH-CG2 3.15Å; T256-Y294 WeakPolarHBondContact O-CA 3.37Å; T256-Y294 WeakPolarHBondContact O-CB 3.3Å; T256-V295 HydrophobicContact CG2-CB 4.03Å; T256-V295 PolarHBondContact N-O 2.81Å; T256-V295 PolarHBondContact O-N 3.35Å; T256-T333 WeakPolarHBondContact CB-O 3.39Å; T256-T333 PolarHBondContact OG1-O 2.68Å; T256-P335 WeakPolarHBondContact OG1-CA 3.37Å; T256-P335 WeakPolarHBondContact OG1-CD 3.36Å; T256-P335 VanDerWaalsContact OG1-N 3.12Å
257	G	98	Very high	97.5	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.1	-156.1	-178.6	0	0	0	0	0	110.5	L259 P335	G257-L259 PolarHBondContact O-N 3.49Å; G257-P335 WeakPolarHBondContact O-CD 2.92Å
258	M	98.1	Very high	97.4	Very high	54 Å²	54	60.1 Å²	60.1	27%	0.266	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	110.4	169.5	179.3	178.2	-77.8	0	0	109.8	T289 L290 M292 F341 A343	M258-T289 CarbonylContact O-C 3.59Å; M258-T289 WeakPolarHBondContact O-CA 3.49Å; M258-L290 HydrophobicContact CB-CB 4.12Å; M258-L290 HydrophobicContact CG-CB 4.39Å; M258-L290 HydrophobicContact CG-CD2 4.48Å; M258-L290 PolarHBondContact O-N 3.19Å; M258-L290 HydrophobicContact SD-CD2 3.6Å; M258-L290 VanDerWaalsContact SD-CD2 3.6Å; M258-M292 HydrophobicContact CB-CE 3.8Å; M258-M292 HydrophobicContact CE-CE 4.2Å; M258-M292 HydrophobicContact SD-CE 4.3Å; M258-F341 HydrophobicContact CB-CB 4.16Å; M258-F341 WeakPolarHBondContact CE-O 3.4Å; M258-A343 HydrophobicContact CE-CB 3.95Å; M258-A343 HydrophobicContact SD-CB 4.09Å
259	L	98.1	Very high	97.4	Very high	24 Å²	24	62.4 Å²	62.4	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.2	-177.6	-60.3	-170.6	0	0	0	112.9	G257 W261 Y288 T289 P332	G257-L259 PolarHBondContact O-N 3.49Å; L259-W261 HydrophobicContact CB-CZ2 4.21Å; L259-W261 VanDerWaalsContact CB-NE1 3.33Å; L259-W261 HydrophobicContact CD1-CH2 4.27Å; L259-W261 HydrophobicContact CD1-CZ2 3.39Å; L259-W261 HydrophobicContact CG-CZ2 4.45Å; L259-Y288 WeakPolarHBondContact CA-O 3.43Å; L259-T289 HydrophobicContact CD2-CG2 3.72Å; L259-P332 HydrophobicContact CD2-CB 3.57Å
260	M	97.8	Very high	97.2	Very high	10 Å²	10	68.8 Å²	68.8	5%	0.049	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	97.4	-178.4	-64.6	-62.2	-82.9	0	0	109.5	R263 T287 Y288 L290	M260-R263 HydrophobicContact CB-CG 3.91Å; M260-R263 HydrophobicContact CE-CG 4.12Å; M260-T287 WeakPolarHBondContact O-CA 3.26Å; M260-Y288 HydrophobicContact CB-CD1 3.75Å; M260-Y288 HydrophobicContact CB-CD2 3.93Å; M260-Y288 HydrophobicContact CB-CE1 3.44Å; M260-Y288 VanDerWaalsContact CB-CE1 3.44Å; M260-Y288 HydrophobicContact CB-CE2 3.63Å; M260-Y288 HydrophobicContact CB-CG 3.99Å; M260-Y288 HydrophobicContact CG-CD2 4.11Å; M260-Y288 HydrophobicContact CG-CE1 4.3Å; M260-Y288 HydrophobicContact CG-CE2 3.61Å; M260-Y288 PolarHBondContact N-O 3.22Å; M260-Y288 PolarHBondContact O-N 3.21Å; M260-L290 HydrophobicContact CE-CD1 4.01Å; M260-L290 HydrophobicContact CG-CB 3.95Å; M260-L290 HydrophobicContact CG-CD1 4.35Å; M260-L290 HydrophobicContact SD-CB 4.28Å; M260-L290 HydrophobicContact SD-CD1 4.24Å
261	W	97.1	Very high	97	Very high	142 Å²	142	67.6 Å²	67.6	54%	0.538	33%	0.331	S	S	.	.			trans	-92.9	143.8	-177.2	-55.8	90.4	0	0	0	111.8	L259 R263 T287	L259-W261 HydrophobicContact CB-CZ2 4.21Å; L259-W261 VanDerWaalsContact CB-NE1 3.33Å; L259-W261 HydrophobicContact CD1-CH2 4.27Å; L259-W261 HydrophobicContact CD1-CZ2 3.39Å; L259-W261 HydrophobicContact CG-CZ2 4.45Å; W261-R263 PolarHBondContact O-N 3.46Å; W261-T287 HydrophobicContact CD2-CG2 3.78Å; W261-T287 HydrophobicContact CE3-CG2 3.65Å; W261-T287 HydrophobicContact CG-CG2 4.49Å; W261-T287 HydrophobicContact CH2-CG2 4Å; W261-T287 HydrophobicContact CZ2-CG2 4.15Å; W261-T287 HydrophobicContact CZ3-CG2 3.76Å; W261-T287 VanDerWaalsContact CZ3-OG1 3.31Å; W261-T287 WeakPolarHBondContact CZ3-OG1 3.47Å
262	N	95.9	Very high	96.8	Very high	124 Å²	124	67.6 Å²	67.6	66%	0.663	33%	0.329	S	S	*	.	S	Bend	trans	49	37.4	169.3	-55.5	-32.5	0	0	0	113.6
263	R	97.7	Very high	96.6	Very high	94 Å²	94	66 Å²	66	36%	0.355	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-79.3	126.1	-176.5	-64.8	-54.7	-171.2	174.3	2.7	110.3	M260 W261 Q284 Y285 Y288	M260-R263 HydrophobicContact CB-CG 3.91Å; M260-R263 HydrophobicContact CE-CG 4.12Å; W261-R263 PolarHBondContact O-N 3.46Å; R263-Q284 WeakPolarHBondContact O-CA 3.11Å; R263-Y285 HydrophobicContact CB-CD2 4.26Å; R263-Y285 PolarHBondContact O-N 3.21Å; R263-Y288 HydrophobicContact CB-CE1 4.01Å; R263-Y288 HydrophobicContact CG-CE1 3.91Å
264	P	97.9	Very high	96.4	Very high	85 Å²	85	65.1 Å²	65.1	55%	0.552	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-71.2	147.6	175.6	30.8	-34.6	0	0	0	110.4	P283	P264-P283 WeakPolarHBondContact CA-O 3.31Å
265	V	97.9	Very high	96.2	Very high	10 Å²	10	65 Å²	65	6%	0.061	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-75.9	126.9	170.8	-178	0	0	0	0	109.1	R267 V275 Y280 P283 Y285	V265-R267 VanDerWaalsContact CG1-CZ 3.48Å; V265-R267 VanDerWaalsContact CG1-NH1 3.33Å; V265-R267 PolarHBondContact O-N 3.04Å; V265-V275 HydrophobicContact CG1-CB 3.72Å; V265-V275 HydrophobicContact CG1-CG1 4.24Å; V265-V275 HydrophobicContact CG1-CG2 4.5Å; V265-Y280 HydrophobicContact CB-CD1 4.5Å; V265-Y280 HydrophobicContact CG1-CD1 4.47Å; V265-Y280 HydrophobicContact CG2-CD1 3.51Å; V265-Y280 HydrophobicContact CG2-CE1 3.48Å; V265-Y280 VanDerWaalsContact CG2-CE1 3.48Å; V265-P283 PolarHBondContact N-O 3.07Å; V265-Y285 HydrophobicContact CB-CE1 4.35Å; V265-Y285 HydrophobicContact CB-CE2 4.43Å; V265-Y285 HydrophobicContact CG1-CE1 4.23Å; V265-Y285 HydrophobicContact CG2-CD1 3.65Å; V265-Y285 HydrophobicContact CG2-CD2 4.12Å; V265-Y285 HydrophobicContact CG2-CE1 3.41Å; V265-Y285 VanDerWaalsContact CG2-CE1 3.41Å; V265-Y285 HydrophobicContact CG2-CE2 3.94Å; V265-Y285 HydrophobicContact CG2-CG 4Å
266	I	97.3	Very high	96	Very high	60 Å²	60	65.3 Å²	65.3	31%	0.308	31%	0.312	S	S	.	.			trans	-78.9	113.7	-178	-63.4	167.5	0	0	0	109	W273 Y274 V275	I266-W273 HydrophobicContact CD1-CB 3.66Å; I266-W273 HydrophobicContact CD1-CD2 4.33Å; I266-W273 HydrophobicContact CD1-CE3 3.88Å; I266-W273 HydrophobicContact CD1-CG 4.32Å; I266-Y274 WeakPolarHBondContact O-CA 3.28Å; I266-V275 PolarHBondContact O-N 2.84Å
267	R	96.4	Very high	95.8	Very high	80 Å²	80	71.3 Å²	71.3	30%	0.302	34%	0.34	S	S	.	.			trans	-96.7	1.4	179.9	-55.2	-55.4	-170.9	-177.4	5.1	114.5	V265 K269 Y274 V275 P276 Y280 P281 N282	V265-R267 VanDerWaalsContact CG1-CZ 3.48Å; V265-R267 VanDerWaalsContact CG1-NH1 3.33Å; V265-R267 PolarHBondContact O-N 3.04Å; R267-K269 PolarHBondContact O-N 2.87Å; R267-Y274 VanDerWaalsContact C-CD2 3.49Å; R267-Y274 WeakPolarHBondContact O-CD2 3.42Å; R267-Y274 VanDerWaalsContact O-CE2 3.25Å; R267-Y274 WeakPolarHBondContact O-CE2 3.36Å; R267-V275 VanDerWaalsContact CD-O 3.3Å; R267-V275 WeakPolarHBondContact CD-O 3.39Å; R267-V275 PolarHBondContact NH1-O 3.02Å; R267-P276 PolarHBondContact NH1-O 3.23Å; R267-Y280 VanDerWaalsContact CZ-O 3.27Å; R267-Y280 PolarHBondContact NH1-O 2.8Å; R267-Y280 PolarHBondContact NH2-O 2.68Å; R267-P281 PolarHBondContact NH2-O 3.45Å; R267-N282 PolarHBondContact NH2-O 3.42Å
268	S	95.9	Very high	95.4	Very high	66 Å²	66	76 Å²	76	46%	0.462	36%	0.362	S	S	.	.			trans	-77.8	113.7	176.5	179.2	0	0	0	0	110.5	N270 S271 Y274	S268-N270 PolarHBondContact O-N 3.33Å; S268-N270 VanDerWaalsContact O-N 3.09Å; S268-S271 VanDerWaalsContact O-CB 3.28Å; S268-S271 WeakPolarHBondContact O-CB 3.35Å; S268-S271 PolarHBondContact O-N 2.93Å; S268-Y274 WeakPolarHBondContact O-CB 3.29Å
269	K	93.4	Very high	95	Very high	125 Å²	125	74 Å²	74	54%	0.543	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.6	179.8	-67	-174.1	179.4	-174.7	0	114.3	R267 S271 Y274	R267-K269 PolarHBondContact O-N 2.87Å; K269-S271 VanDerWaalsContact C-N 3.32Å; K269-Y274 HydrophobicContact CG-CD1 4.5Å; K269-Y274 HydrophobicContact CG-CD2 4.27Å; K269-Y274 HydrophobicContact CG-CE1 4.06Å; K269-Y274 HydrophobicContact CG-CE2 3.78Å
270	N	93.1	Very high	94.8	Very high	160 Å²	160	73.4 Å²	73.4	86%	0.856	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.6	178.5	-63.3	-20	0	0	0	113.1	S268	S268-N270 PolarHBondContact O-N 3.33Å; S268-N270 VanDerWaalsContact O-N 3.09Å
271	S	93.7	Very high	94.6	Very high	31 Å²	31	77 Å²	77	22%	0.217	37%	0.373	C	S	.	.	S	Bend	trans	-84.9	137.7	176	-177.8	0	0	0	0	110.5	S268 K269 W273 Y274	S268-S271 VanDerWaalsContact O-CB 3.28Å; S268-S271 WeakPolarHBondContact O-CB 3.35Å; S268-S271 PolarHBondContact O-N 2.93Å; K269-S271 VanDerWaalsContact C-N 3.32Å; S271-W273 PolarHBondContact O-N 3.39Å; S271-W273 VanDerWaalsContact O-N 3.09Å; S271-W273 PolarHBondContact OG-N 2.7Å; S271-W273 VanDerWaalsContact OG-N 3.12Å; S271-Y274 VanDerWaalsContact O-CB 3.27Å; S271-Y274 WeakPolarHBondContact O-CB 3.48Å; S271-Y274 PolarHBondContact O-N 3.14Å
272	K	91.3	Very high	94.6	Very high	133 Å²	133	74.6 Å²	74.6	58%	0.578	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19	168.5	70.9	176.7	-172.9	173.7	0	113.2
273	W	94.4	Very high	94.6	Very high	119 Å²	119	73.2 Å²	73.2	45%	0.451	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	15.8	178.8	-56.2	-60.6	0	0	0	113.4	Y202 I266 S271 V275 I316	Y202-W273 PolarHBondContact OH-NE1 3.19Å; I266-W273 HydrophobicContact CD1-CB 3.66Å; I266-W273 HydrophobicContact CD1-CD2 4.33Å; I266-W273 HydrophobicContact CD1-CE3 3.88Å; I266-W273 HydrophobicContact CD1-CG 4.32Å; S271-W273 PolarHBondContact O-N 3.39Å; S271-W273 VanDerWaalsContact O-N 3.09Å; S271-W273 PolarHBondContact OG-N 2.7Å; S271-W273 VanDerWaalsContact OG-N 3.12Å; W273-V275 PolarHBondContact O-N 3.41Å; W273-I316 HydrophobicContact CB-CD1 4.1Å
274	Y	95.1	Very high	94.6	Very high	46 Å²	46	73.7 Å²	73.7	18%	0.18	37%	0.374	C	S	.	.			trans	-57.3	133.2	176.8	173.8	-116.3	0	0	0	111.4	I266 R267 S268 K269 S271 P276 N315	I266-Y274 WeakPolarHBondContact O-CA 3.28Å; R267-Y274 VanDerWaalsContact C-CD2 3.49Å; R267-Y274 WeakPolarHBondContact O-CD2 3.42Å; R267-Y274 VanDerWaalsContact O-CE2 3.25Å; R267-Y274 WeakPolarHBondContact O-CE2 3.36Å; S268-Y274 WeakPolarHBondContact O-CB 3.29Å; K269-Y274 HydrophobicContact CG-CD1 4.5Å; K269-Y274 HydrophobicContact CG-CD2 4.27Å; K269-Y274 HydrophobicContact CG-CE1 4.06Å; K269-Y274 HydrophobicContact CG-CE2 3.78Å; S271-Y274 VanDerWaalsContact O-CB 3.27Å; S271-Y274 WeakPolarHBondContact O-CB 3.48Å; S271-Y274 PolarHBondContact O-N 3.14Å; Y274-P276 HydrophobicContact CE1-CB 4.41Å; Y274-P276 HydrophobicContact CE1-CG 3.83Å; Y274-N315 PolarHBondContact O-ND2 3.1Å; Y274-N315 PolarHBondContact O-OD1 3.42Å
275	V	94.8	Very high	94.6	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.352	C	S	.	.			trans	-130.8	124.4	168.3	179.6	0	0	0	0	109.4	V265 I266 R267 W273 M279 Y285 F314 I316	V265-V275 HydrophobicContact CG1-CB 3.72Å; V265-V275 HydrophobicContact CG1-CG1 4.24Å; V265-V275 HydrophobicContact CG1-CG2 4.5Å; I266-V275 PolarHBondContact O-N 2.84Å; R267-V275 VanDerWaalsContact CD-O 3.3Å; R267-V275 WeakPolarHBondContact CD-O 3.39Å; R267-V275 PolarHBondContact NH1-O 3.02Å; W273-V275 PolarHBondContact O-N 3.41Å; V275-M279 HydrophobicContact CG1-CB 4.16Å; V275-Y285 WeakPolarHBondContact CG2-OH 3.38Å; V275-F314 HydrophobicContact CG1-CB 4.19Å; V275-F314 HydrophobicContact CG1-CD2 4.08Å; V275-F314 HydrophobicContact CG1-CG 4.2Å; V275-F314 HydrophobicContact CG2-CD2 3.83Å; V275-F314 HydrophobicContact CG2-CE2 4.35Å; V275-I316 HydrophobicContact CG2-CD1 4.31Å; V275-I316 HydrophobicContact CG2-CG1 3.47Å; V275-I316 VanDerWaalsContact CG2-CG1 3.47Å
276	P	93	Very high	94.6	Very high	7 Å²	7	70.9 Å²	70.9	5%	0.045	35%	0.354	C	S	.	.			trans	-64.8	152.5	176.8	-10.4	21.2	0	0	0	112.5	Y109 R267 Y274 E278 M279 Y280	Y109-P276 HydrophobicContact CD1-CB 3.82Å; Y109-P276 HydrophobicContact CD1-CG 3.4Å; Y109-P276 HydrophobicContact CE1-CB 3.88Å; Y109-P276 HydrophobicContact CE1-CG 3.95Å; Y109-P276 HydrophobicContact CG-CB 4.22Å; Y109-P276 HydrophobicContact CG-CG 3.82Å; R267-P276 PolarHBondContact NH1-O 3.23Å; Y274-P276 HydrophobicContact CE1-CB 4.41Å; Y274-P276 HydrophobicContact CE1-CG 3.83Å; P276-E278 WeakPolarHBondContact CB-OE2 3.29Å; P276-E278 PolarHBondContact O-N 2.87Å; P276-M279 HydrophobicContact CB-CB 4.39Å; P276-M279 HydrophobicContact CB-CG 4.02Å; P276-M279 HydrophobicContact CG-CB 4.27Å; P276-M279 HydrophobicContact CG-CG 3.63Å; P276-M279 PolarHBondContact O-N 2.94Å; P276-Y280 PolarHBondContact O-N 2.84Å; P276-Y280 VanDerWaalsContact O-N 3.1Å
277	E	94.1	Very high	94.7	Very high	126 Å²	126	69.6 Å²	69.6	59%	0.589	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-32	176.3	-166.8	168.1	179.1	0	0	111.4	M279 Y280 P281	E277-M279 PolarHBondContact O-N 3.3Å; E277-Y280 CarbonylContact O-C 3.53Å; E277-Y280 PolarHBondContact O-N 3.33Å; E277-P281 VanDerWaalsContact O-CA 3.25Å; E277-P281 WeakPolarHBondContact O-CA 3.32Å; E277-P281 WeakPolarHBondContact O-CD 3.37Å; E277-P281 WeakPolarHBondContact O-CG 3.21Å; E277-P281 VanDerWaalsContact O-N 3.09Å
278	E	91.3	Very high	94.8	Very high	101 Å²	101	66.6 Å²	66.6	47%	0.472	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.2	175.9	-51.5	89.4	156.2	0	0	113.2	Y109 P276 K312	Y109-E278 HydrophobicContact CE2-CB 4.41Å; Y109-E278 HydrophobicContact CE2-CG 4.16Å; Y109-E278 PolarHBondContact OH-OE1 3.1Å; P276-E278 WeakPolarHBondContact CB-OE2 3.29Å; P276-E278 PolarHBondContact O-N 2.87Å; E278-K312 PolarHBondContact O-NZ 3.34Å
279	M	88.8	Confident	94.9	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.049	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-39.8	175.2	-65.8	-58.5	-64.4	0	0	111.4	E111 V275 P276 E277 K312 P313 F314	E111-M279 HydrophobicContact CB-CE 3.99Å; E111-M279 HydrophobicContact CG-CE 3.96Å; V275-M279 HydrophobicContact CG1-CB 4.16Å; P276-M279 HydrophobicContact CB-CB 4.39Å; P276-M279 HydrophobicContact CB-CG 4.02Å; P276-M279 HydrophobicContact CG-CB 4.27Å; P276-M279 HydrophobicContact CG-CG 3.63Å; P276-M279 PolarHBondContact O-N 2.94Å; E277-M279 PolarHBondContact O-N 3.3Å; M279-K312 HydrophobicContact CE-CD 4.35Å; M279-K312 HydrophobicContact CE-CG 4.17Å; M279-K312 HydrophobicContact SD-CD 4.25Å; M279-K312 WeakPolarHBondContact SD-CE 3.15Å; M279-K312 PolarHBondContact SD-NZ 3.12Å; M279-P313 WeakPolarHBondContact CE-O 3.29Å; M279-F314 HydrophobicContact CB-CB 4.39Å; M279-F314 HydrophobicContact CE-CB 4.39Å
280	Y	94.1	Very high	95.1	Very high	13 Å²	13	59 Å²	59	5%	0.051	30%	0.297	C	S	.	.			trans	-144.6	101	178.5	-174.7	-94	0	0	0	108.9	V265 R267 P276 E277 N282 Q284 Y285 P286 F314 M323	V265-Y280 HydrophobicContact CB-CD1 4.5Å; V265-Y280 HydrophobicContact CG1-CD1 4.47Å; V265-Y280 HydrophobicContact CG2-CD1 3.51Å; V265-Y280 HydrophobicContact CG2-CE1 3.48Å; V265-Y280 VanDerWaalsContact CG2-CE1 3.48Å; R267-Y280 VanDerWaalsContact CZ-O 3.27Å; R267-Y280 PolarHBondContact NH1-O 2.8Å; R267-Y280 PolarHBondContact NH2-O 2.68Å; P276-Y280 PolarHBondContact O-N 2.84Å; P276-Y280 VanDerWaalsContact O-N 3.1Å; E277-Y280 CarbonylContact O-C 3.53Å; E277-Y280 PolarHBondContact O-N 3.33Å; Y280-N282 HydrophobicContact CD1-CB 4.22Å; Y280-N282 WeakPolarHBondContact CD1-O 3.33Å; Y280-N282 HydrophobicContact CE1-CB 3.51Å; Y280-N282 WeakPolarHBondContact CE1-O 3.39Å; Y280-N282 PolarHBondContact O-N 2.77Å; Y280-Q284 WeakPolarHBondContact CE1-O 3.44Å; Y280-Q284 PolarHBondContact OH-O 2.73Å; Y280-Y285 HydrophobicContact CD1-CD1 4.32Å; Y280-Y285 HydrophobicContact CD1-CE1 4.17Å; Y280-Y285 AromaticContact CE1-CD1 3.87Å; Y280-Y285 HydrophobicContact CE1-CD1 3.87Å; Y280-Y285 HydrophobicContact CE1-CE1 4.18Å; Y280-Y285 HydrophobicContact CE2-CD1 4.49Å; Y280-Y285 HydrophobicContact CG-CE1 4.47Å; Y280-Y285 AromaticContact CZ-CD1 3.98Å; Y280-P286 WeakPolarHBondContact OH-CD 3.21Å; Y280-F314 AromaticContact CD2-CE1 3.74Å; Y280-F314 HydrophobicContact CD2-CE1 3.74Å; Y280-F314 HydrophobicContact CD2-CZ 4.23Å; Y280-F314 HydrophobicContact CE2-CE1 4.45Å; Y280-F314 HydrophobicContact CG-CE1 4.27Å; Y280-M323 HydrophobicContact CD2-SD 3.59Å; Y280-M323 VanDerWaalsContact CD2-SD 3.59Å; Y280-M323 HydrophobicContact CE2-CG 4.06Å; Y280-M323 HydrophobicContact CE2-SD 3.39Å; Y280-M323 WeakPolarHBondContact CE2-SD 3.28Å
281	P	94.7	Very high	95.1	Very high	86 Å²	86	51.6 Å²	51.6	56%	0.558	26%	0.26	S	S	*	.			trans	-69.9	-32.5	-173.6	-25.2	35	0	0	0	114.1	R267 E277	R267-P281 PolarHBondContact NH2-O 3.45Å; E277-P281 VanDerWaalsContact O-CA 3.25Å; E277-P281 WeakPolarHBondContact O-CA 3.32Å; E277-P281 WeakPolarHBondContact O-CD 3.37Å; E277-P281 WeakPolarHBondContact O-CG 3.21Å; E277-P281 VanDerWaalsContact O-N 3.09Å
282	N	95.8	Very high	95.1	Very high	91 Å²	91	50.5 Å²	50.5	49%	0.487	25%	0.251	S	S	.	.	S	Bend	trans	-64.2	141.3	-176.8	-62	-51.8	0	0	0	110.8	R267 Y280 Q284	R267-N282 PolarHBondContact NH2-O 3.42Å; Y280-N282 HydrophobicContact CD1-CB 4.22Å; Y280-N282 WeakPolarHBondContact CD1-O 3.33Å; Y280-N282 HydrophobicContact CE1-CB 3.51Å; Y280-N282 WeakPolarHBondContact CE1-O 3.39Å; Y280-N282 PolarHBondContact O-N 2.77Å; N282-Q284 PolarHBondContact O-N 3.37Å
283	P	97	Very high	95.4	Very high	94 Å²	94	44.1 Å²	44.1	61%	0.61	22%	0.223	S	C	*	.	S	Bend	trans	-74.8	-13.5	-179.5	29.6	-35.8	0	0	0	113.4	P264 V265	P264-P283 WeakPolarHBondContact CA-O 3.31Å; V265-P283 PolarHBondContact N-O 3.07Å
284	Q	97.5	Very high	95.6	Very high	105 Å²	105	38.5 Å²	38.5	49%	0.491	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-132.9	144.1	-178	-63.1	-179.7	17.6	0	0	111	R263 Y280 N282	R263-Q284 WeakPolarHBondContact O-CA 3.11Å; Y280-Q284 WeakPolarHBondContact CE1-O 3.44Å; Y280-Q284 PolarHBondContact OH-O 2.73Å; N282-Q284 PolarHBondContact O-N 3.37Å
285	Y	98	Very high	95.8	Very high	19 Å²	19	36.3 Å²	36.3	8%	0.075	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-73.8	152.3	171.7	-64.4	-53.8	0	0	0	111.3	R263 V265 V275 Y280 Y288 F314 A319	R263-Y285 HydrophobicContact CB-CD2 4.26Å; R263-Y285 PolarHBondContact O-N 3.21Å; V265-Y285 HydrophobicContact CB-CE1 4.35Å; V265-Y285 HydrophobicContact CB-CE2 4.43Å; V265-Y285 HydrophobicContact CG1-CE1 4.23Å; V265-Y285 HydrophobicContact CG2-CD1 3.65Å; V265-Y285 HydrophobicContact CG2-CD2 4.12Å; V265-Y285 HydrophobicContact CG2-CE1 3.41Å; V265-Y285 VanDerWaalsContact CG2-CE1 3.41Å; V265-Y285 HydrophobicContact CG2-CE2 3.94Å; V265-Y285 HydrophobicContact CG2-CG 4Å; V275-Y285 WeakPolarHBondContact CG2-OH 3.38Å; Y280-Y285 HydrophobicContact CD1-CD1 4.32Å; Y280-Y285 HydrophobicContact CD1-CE1 4.17Å; Y280-Y285 AromaticContact CE1-CD1 3.87Å; Y280-Y285 HydrophobicContact CE1-CD1 3.87Å; Y280-Y285 HydrophobicContact CE1-CE1 4.18Å; Y280-Y285 HydrophobicContact CE2-CD1 4.49Å; Y280-Y285 HydrophobicContact CG-CE1 4.47Å; Y280-Y285 AromaticContact CZ-CD1 3.98Å; Y285-Y288 HydrophobicContact CD2-CE1 4.16Å; Y285-Y288 HydrophobicContact CG-CE1 4.46Å; Y285-F314 HydrophobicContact CD1-CE2 4.37Å; Y285-F314 HydrophobicContact CD1-CZ 4.06Å; Y285-F314 AromaticContact CE1-CE2 3.5Å; Y285-F314 HydrophobicContact CE1-CE2 3.5Å; Y285-F314 AromaticContact CE1-CZ 3.55Å; Y285-F314 HydrophobicContact CE1-CZ 3.55Å; Y285-F314 AromaticContact CZ-CE2 3.98Å; Y285-A319 HydrophobicContact CD1-CB 3.77Å; Y285-A319 HydrophobicContact CD2-CB 4.11Å; Y285-A319 HydrophobicContact CE1-CB 3.94Å; Y285-A319 HydrophobicContact CE2-CB 4.24Å; Y285-A319 HydrophobicContact CG-CB 3.86Å
286	P	97.4	Very high	96	Very high	16 Å²	16	36.3 Å²	36.3	10%	0.104	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-61.7	166.4	162	32.7	-37.6	0	0	0	110.3	Y280 Y288 M323 K326	Y280-P286 WeakPolarHBondContact OH-CD 3.21Å; P286-Y288 WeakPolarHBondContact O-CD1 3.44Å; P286-Y288 PolarHBondContact O-N 2.57Å; P286-M323 HydrophobicContact CG-CG 4.13Å; P286-K326 HydrophobicContact CB-CB 4.3Å; P286-K326 HydrophobicContact CB-CD 3.6Å; P286-K326 HydrophobicContact CG-CD 4.41Å
287	T	98.3	Very high	96.3	Very high	33 Å²	33	36 Å²	36	20%	0.202	19%	0.191	C	C	.	.	S	Bend	trans	-57.7	131.1	169.4	-56.6	0	0	0	0	109.9	M260 W261 P332	M260-T287 WeakPolarHBondContact O-CA 3.26Å; W261-T287 HydrophobicContact CD2-CG2 3.78Å; W261-T287 HydrophobicContact CE3-CG2 3.65Å; W261-T287 HydrophobicContact CG-CG2 4.49Å; W261-T287 HydrophobicContact CH2-CG2 4Å; W261-T287 HydrophobicContact CZ2-CG2 4.15Å; W261-T287 HydrophobicContact CZ3-CG2 3.76Å; W261-T287 VanDerWaalsContact CZ3-OG1 3.31Å; W261-T287 WeakPolarHBondContact CZ3-OG1 3.47Å; T287-P332 HydrophobicContact CG2-CG 4.34Å; T287-P332 WeakPolarHBondContact O-CG 3.06Å
288	Y	98.5	Very high	96.5	Very high	17 Å²	17	30.3 Å²	30.3	7%	0.067	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	172.7	178.8	68.9	-86	0	0	0	111.1	L259 M260 R263 Y285 P286 D318 A319	L259-Y288 WeakPolarHBondContact CA-O 3.43Å; M260-Y288 HydrophobicContact CB-CD1 3.75Å; M260-Y288 HydrophobicContact CB-CD2 3.93Å; M260-Y288 HydrophobicContact CB-CE1 3.44Å; M260-Y288 VanDerWaalsContact CB-CE1 3.44Å; M260-Y288 HydrophobicContact CB-CE2 3.63Å; M260-Y288 HydrophobicContact CB-CG 3.99Å; M260-Y288 HydrophobicContact CG-CD2 4.11Å; M260-Y288 HydrophobicContact CG-CE1 4.3Å; M260-Y288 HydrophobicContact CG-CE2 3.61Å; M260-Y288 PolarHBondContact N-O 3.22Å; M260-Y288 PolarHBondContact O-N 3.21Å; R263-Y288 HydrophobicContact CB-CE1 4.01Å; R263-Y288 HydrophobicContact CG-CE1 3.91Å; Y285-Y288 HydrophobicContact CD2-CE1 4.16Å; Y285-Y288 HydrophobicContact CG-CE1 4.46Å; P286-Y288 WeakPolarHBondContact O-CD1 3.44Å; P286-Y288 PolarHBondContact O-N 2.57Å; Y288-D318 WeakPolarHBondContact CB-O 3.26Å; Y288-D318 HydrophobicContact CD2-CB 3.83Å; Y288-D318 HydrophobicContact CE2-CB 4.06Å; Y288-D318 VanDerWaalsContact CE2-CG 3.44Å; Y288-D318 VanDerWaalsContact CE2-OD2 3.31Å; Y288-D318 WeakPolarHBondContact CE2-OD2 3.5Å; Y288-A319 HydrophobicContact CD1-CB 4.32Å; Y288-A319 HydrophobicContact CE1-CB 4.39Å; Y288-A319 HydrophobicContact CG-CB 4.43Å
289	T	98.2	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.3	176.2	47.1	0	0	0	0	110.3	L255 M258 L259 G291 Y294 D318 P332	L255-T289 HydrophobicContact CD1-CG2 4.2Å; L255-T289 HydrophobicContact CD2-CG2 4.46Å; L255-T289 HydrophobicContact CG-CG2 3.98Å; M258-T289 CarbonylContact O-C 3.59Å; M258-T289 WeakPolarHBondContact O-CA 3.49Å; L259-T289 HydrophobicContact CD2-CG2 3.72Å; T289-G291 PolarHBondContact O-N 3.24Å; T289-Y294 VanDerWaalsContact OG1-CB 3.32Å; T289-Y294 WeakPolarHBondContact OG1-CB 3.34Å; T289-D318 VanDerWaalsContact O-CB 3.29Å; T289-D318 WeakPolarHBondContact O-CB 3.47Å; T289-P332 HydrophobicContact CG2-CB 4.27Å
290	L	97.3	Very high	97.3	Very high	31 Å²	31	26.7 Å²	26.7	16%	0.162	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	135.6	-176.8	-176	64.1	0	0	0	113.2	M258 M260 M292 G293 A343	M258-L290 HydrophobicContact CB-CB 4.12Å; M258-L290 HydrophobicContact CG-CB 4.39Å; M258-L290 HydrophobicContact CG-CD2 4.48Å; M258-L290 PolarHBondContact O-N 3.19Å; M258-L290 HydrophobicContact SD-CD2 3.6Å; M258-L290 VanDerWaalsContact SD-CD2 3.6Å; M260-L290 HydrophobicContact CE-CD1 4.01Å; M260-L290 HydrophobicContact CG-CB 3.95Å; M260-L290 HydrophobicContact CG-CD1 4.35Å; M260-L290 HydrophobicContact SD-CB 4.28Å; M260-L290 HydrophobicContact SD-CD1 4.24Å; L290-M292 HydrophobicContact CD2-CE 4.29Å; L290-M292 HydrophobicContact CD2-CG 4.18Å; L290-M292 HydrophobicContact CD2-SD 3.89Å; L290-M292 HydrophobicContact CG-CG 4.25Å; L290-M292 PolarHBondContact O-N 3.39Å; L290-G293 PolarHBondContact O-N 3.19Å; L290-A343 HydrophobicContact CD2-CB 4.01Å
291	G	94	Very high	97.5	Very high	6 Å²	6	26.1 Å²	26.1	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-15.5	-170.9	0	0	0	0	0	117.2	K228 T289 G293 E317 D318	K228-G291 PolarHBondContact NZ-O 3.26Å; T289-G291 PolarHBondContact O-N 3.24Å; G291-G293 PolarHBondContact O-N 3.11Å; G291-G293 VanDerWaalsContact O-N 3.11Å; G291-E317 WeakPolarHBondContact CA-OE1 3.33Å; G291-D318 PolarHBondContact N-OD2 3.26Å
292	M	94.7	Very high	97.6	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.034	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	-30.2	176.6	71.6	179.8	-177.1	0	0	113.1	D230 M233 M258 L290 K342 A343 T358 I360	D230-M292 PolarHBondContact N-O 2.86Å; M233-M292 HydrophobicContact CE-CB 3.86Å; M233-M292 HydrophobicContact CE-CG 4Å; M233-M292 HydrophobicContact CE-SD 4.09Å; M233-M292 WeakPolarHBondContact CG-O 3.28Å; M233-M292 HydrophobicContact SD-CB 3.86Å; M258-M292 HydrophobicContact CB-CE 3.8Å; M258-M292 HydrophobicContact CE-CE 4.2Å; M258-M292 HydrophobicContact SD-CE 4.3Å; L290-M292 HydrophobicContact CD2-CE 4.29Å; L290-M292 HydrophobicContact CD2-CG 4.18Å; L290-M292 HydrophobicContact CD2-SD 3.89Å; L290-M292 HydrophobicContact CG-CG 4.25Å; L290-M292 PolarHBondContact O-N 3.39Å; M292-K342 WeakPolarHBondContact CE-O 3.49Å; M292-A343 HydrophobicContact CE-CB 4.32Å; M292-A343 WeakPolarHBondContact SD-CA 3.25Å; M292-A343 HydrophobicContact SD-CB 3.68Å; M292-T358 WeakPolarHBondContact CE-OG1 3.25Å; M292-I360 HydrophobicContact CB-CD1 3.92Å; M292-I360 HydrophobicContact CB-CG1 3.87Å; M292-I360 HydrophobicContact SD-CD1 3.97Å; M292-I360 HydrophobicContact SD-CG1 4Å
293	G	97.2	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	132.9	175.9	0	0	0	0	0	112.8	K228 L290 G291	K228-G293 CarbonylContact O-C 3.48Å; K228-G293 WeakPolarHBondContact O-CA 3.3Å; L290-G293 PolarHBondContact O-N 3.19Å; G291-G293 PolarHBondContact O-N 3.11Å; G291-G293 VanDerWaalsContact O-N 3.11Å
294	Y	98.6	Very high	97.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.2	178.9	56.7	-98.8	0	0	0	111.2	T209 M213 M227 K228 L255 T256 T289 F296	T209-Y294 VanDerWaalsContact CG2-OH 3.29Å; T209-Y294 WeakPolarHBondContact CG2-OH 3.47Å; M213-Y294 HydrophobicContact CE-CE2 4.36Å; M227-Y294 VanDerWaalsContact CA-O 3.3Å; M227-Y294 WeakPolarHBondContact CA-O 3.16Å; M227-Y294 WeakPolarHBondContact CG-O 3.39Å; K228-Y294 HydrophobicContact CB-CE1 4.27Å; K228-Y294 HydrophobicContact CB-CE2 3.93Å; K228-Y294 HydrophobicContact CD-CD1 4.45Å; K228-Y294 HydrophobicContact CD-CE1 3.73Å; K228-Y294 HydrophobicContact CG-CE1 4.45Å; K228-Y294 PolarHBondContact N-O 3.04Å; K228-Y294 PolarHBondContact O-N 3.44Å; L255-Y294 HydrophobicContact CD1-CD2 3.72Å; L255-Y294 HydrophobicContact CD1-CE2 4.45Å; L255-Y294 HydrophobicContact CD1-CG 4.38Å; T256-Y294 WeakPolarHBondContact O-CA 3.37Å; T256-Y294 WeakPolarHBondContact O-CB 3.3Å; T289-Y294 VanDerWaalsContact OG1-CB 3.32Å; T289-Y294 WeakPolarHBondContact OG1-CB 3.34Å; Y294-F296 AromaticContact CD2-CD1 3.82Å; Y294-F296 HydrophobicContact CD2-CD1 3.82Å; Y294-F296 HydrophobicContact CD2-CE1 4.14Å; Y294-F296 AromaticContact CE2-CD1 3.87Å; Y294-F296 HydrophobicContact CE2-CD1 3.87Å; Y294-F296 AromaticContact CE2-CE1 3.84Å; Y294-F296 HydrophobicContact CE2-CE1 3.84Å
295	V	98.8	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.5	-172	-173.2	0	0	0	0	108.8	A226 M227 L240 L244 L255 T256 F341	A226-V295 WeakPolarHBondContact O-CA 3.32Å; M227-V295 HydrophobicContact CB-CG2 4.14Å; M227-V295 HydrophobicContact CG-CG2 3.93Å; M227-V295 HydrophobicContact SD-CG2 4.04Å; L240-V295 HydrophobicContact CD1-CG2 3.65Å; L244-V295 HydrophobicContact CD1-CG1 4.13Å; L244-V295 HydrophobicContact CD2-CG1 3.92Å; L255-V295 CarbonylContact C-O 3.58Å; L255-V295 WeakPolarHBondContact CA-O 3.25Å; T256-V295 HydrophobicContact CG2-CB 4.03Å; T256-V295 PolarHBondContact N-O 2.81Å; T256-V295 PolarHBondContact O-N 3.35Å; V295-F341 HydrophobicContact CG2-CZ 4.43Å
296	F	98.9	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.6	177.5	49	-87.7	0	0	0	111.9	M213 L216 Y225 A226 K228 Y254 L255 Y294 L300 P301	M213-F296 HydrophobicContact CE-CD1 4.49Å; M213-F296 HydrophobicContact CE-CE1 3.9Å; M213-F296 HydrophobicContact CE-CE2 4.38Å; M213-F296 HydrophobicContact CE-CZ 3.84Å; M213-F296 HydrophobicContact SD-CE2 3.97Å; M213-F296 HydrophobicContact SD-CZ 3.86Å; L216-F296 HydrophobicContact CD1-CE2 3.6Å; L216-F296 HydrophobicContact CD1-CZ 3.67Å; Y225-F296 WeakPolarHBondContact CA-O 3.39Å; A226-F296 HydrophobicContact CB-CD2 4.2Å; A226-F296 HydrophobicContact CB-CE2 3.54Å; A226-F296 HydrophobicContact CB-CZ 3.74Å; A226-F296 PolarHBondContact N-O 3.34Å; A226-F296 PolarHBondContact O-N 2.8Å; K228-F296 HydrophobicContact CB-CE1 4.38Å; Y254-F296 CarbonylContact O-C 3.09Å; Y254-F296 WeakPolarHBondContact O-CA 3.28Å; Y254-F296 WeakPolarHBondContact O-CB 3.42Å; L255-F296 HydrophobicContact CD1-CB 4.02Å; L255-F296 HydrophobicContact CD1-CD1 4.5Å; Y294-F296 AromaticContact CD2-CD1 3.82Å; Y294-F296 HydrophobicContact CD2-CD1 3.82Å; Y294-F296 HydrophobicContact CD2-CE1 4.14Å; Y294-F296 AromaticContact CE2-CD1 3.87Å; Y294-F296 HydrophobicContact CE2-CD1 3.87Å; Y294-F296 AromaticContact CE2-CE1 3.84Å; Y294-F296 HydrophobicContact CE2-CE1 3.84Å; F296-L300 HydrophobicContact CB-CD1 3.98Å; F296-P301 HydrophobicContact CD2-CG 4.05Å; F296-P301 HydrophobicContact CE2-CG 3.62Å
297	S	98.8	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.6	167.4	54.8	0	0	0	0	109.8	Q251 K252 N253 Y254 D299 L300	Q251-S297 VanDerWaalsContact C-CB 3.49Å; Q251-S297 VanDerWaalsContact O-CB 3.23Å; Q251-S297 WeakPolarHBondContact O-CB 3.47Å; K252-S297 VanDerWaalsContact C-OG 3.31Å; K252-S297 WeakPolarHBondContact CA-OG 3.43Å; N253-S297 PolarHBondContact N-OG 3.37Å; N253-S297 VanDerWaalsContact N-OG 3.08Å; Y254-S297 PolarHBondContact N-OG 2.77Å; Y254-S297 PolarHBondContact O-N 2.97Å; Y254-S297 PolarHBondContact O-OG 3.01Å; S297-D299 VanDerWaalsContact CB-OD1 3.22Å; S297-D299 WeakPolarHBondContact CB-OD1 3.43Å; S297-D299 PolarHBondContact O-N 3.5Å; S297-D299 PolarHBondContact OG-OD1 3.42Å; S297-L300 WeakPolarHBondContact O-CB 3.27Å; S297-L300 PolarHBondContact O-N 2.86Å; S297-L300 VanDerWaalsContact O-N 3.07Å
298	N	97.9	Very high	97.3	Very high	7 Å²	7	21 Å²	21	4%	0.037	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	5.8	-170	-158.8	58	0	0	0	114.2	C220 P221 A223 A224 P301	C220-N298 PolarHBondContact O-ND2 2.83Å; P221-N298 PolarHBondContact O-ND2 2.78Å; A223-N298 HydrophobicContact CB-CB 4.3Å; A223-N298 WeakPolarHBondContact O-CB 3.33Å; A223-N298 PolarHBondContact O-ND2 3.32Å; A224-N298 PolarHBondContact O-N 3.41Å; A224-N298 VanDerWaalsContact O-N 3.08Å; N298-P301 VanDerWaalsContact C-CD 3.48Å; N298-P301 WeakPolarHBondContact O-CD 3.43Å
299	D	98.3	Very high	97	Very high	36 Å²	36	27.3 Å²	27.3	19%	0.193	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-16	167.2	75.7	-52.7	0	0	0	113.1	K252 N253 S297 K303	K252-D299 VanDerWaalsContact CA-OD1 3.32Å; K252-D299 WeakPolarHBondContact CA-OD1 3.48Å; N253-D299 PolarHBondContact N-OD1 2.97Å; N253-D299 PolarHBondContact N-OD2 2.68Å; N253-D299 VanDerWaalsContact N-OD2 3.17Å; N253-D299 PolarHBondContact OD1-OD2 2.98Å; S297-D299 VanDerWaalsContact CB-OD1 3.22Å; S297-D299 WeakPolarHBondContact CB-OD1 3.43Å; S297-D299 PolarHBondContact O-N 3.5Å; S297-D299 PolarHBondContact OG-OD1 3.42Å; D299-K303 IonicContact OD2-NZ 2.78Å; D299-K303 PolarHBondContact OD2-NZ 3.1Å
300	L	98.7	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-74.2	-36.1	178.7	-75.2	177	0	0	0	115.1	Y254 L255 F296 S297 T302 K303 F304 L330	Y254-L300 WeakPolarHBondContact O-CD1 3.38Å; L255-L300 HydrophobicContact CB-CD1 4.12Å; F296-L300 HydrophobicContact CB-CD1 3.98Å; S297-L300 WeakPolarHBondContact O-CB 3.27Å; S297-L300 PolarHBondContact O-N 2.86Å; S297-L300 VanDerWaalsContact O-N 3.07Å; L300-T302 PolarHBondContact O-N 3.04Å; L300-K303 HydrophobicContact CD2-CD 4.2Å; L300-K303 CarbonylContact O-C 3.47Å; L300-K303 WeakPolarHBondContact O-CA 3.35Å; L300-K303 WeakPolarHBondContact O-CB 3.41Å; L300-K303 PolarHBondContact O-N 3.22Å; L300-F304 HydrophobicContact CB-CD2 4.13Å; L300-F304 HydrophobicContact CB-CE2 3.77Å; L300-F304 HydrophobicContact CB-CZ 4Å; L300-F304 HydrophobicContact CD1-CE2 4.24Å; L300-F304 HydrophobicContact CD1-CZ 3.91Å; L300-F304 HydrophobicContact CD2-CE1 4.19Å; L300-F304 HydrophobicContact CD2-CZ 4.16Å; L300-F304 HydrophobicContact CG-CE2 4.49Å; L300-F304 HydrophobicContact CG-CZ 4.26Å; L300-F304 WeakPolarHBondContact O-CG 3.42Å; L300-F304 PolarHBondContact O-N 3.43Å; L300-L330 HydrophobicContact CD2-CD1 4.05Å
301	P	98.4	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-49.4	-50.7	179.3	-33.2	38.8	0	0	0	114.2	M213 L216 A217 F296 N298 K303 F304 V305	M213-P301 HydrophobicContact CB-CB 4.25Å; M213-P301 VanDerWaalsContact O-CB 3.29Å; M213-P301 WeakPolarHBondContact O-CB 3.44Å; M213-P301 HydrophobicContact SD-CB 4.22Å; M213-P301 HydrophobicContact SD-CG 4.15Å; L216-P301 HydrophobicContact CB-CB 3.92Å; L216-P301 HydrophobicContact CB-CG 3.85Å; L216-P301 HydrophobicContact CD1-CG 4.04Å; A217-P301 HydrophobicContact CB-CB 4.12Å; F296-P301 HydrophobicContact CD2-CG 4.05Å; F296-P301 HydrophobicContact CE2-CG 3.62Å; N298-P301 VanDerWaalsContact C-CD 3.48Å; N298-P301 WeakPolarHBondContact O-CD 3.43Å; P301-K303 VanDerWaalsContact C-N 3.31Å; P301-K303 PolarHBondContact O-N 2.87Å; P301-F304 PolarHBondContact O-N 3.46Å; P301-V305 WeakPolarHBondContact O-CG2 3.43Å; P301-V305 PolarHBondContact O-N 3.22Å
302	T	97.9	Very high	96.3	Very high	81 Å²	81	34.8 Å²	34.8	50%	0.497	18%	0.18	S	C	.	.	H	α-helix	trans	-59.8	-41.3	177.1	-52	0	0	0	0	111.9	A217 L300 E306	A217-T302 WeakPolarHBondContact CB-OG1 3.41Å; L300-T302 PolarHBondContact O-N 3.04Å; T302-E306 PolarHBondContact O-N 3.45Å
303	K	98.3	Very high	96.1	Very high	69 Å²	69	35 Å²	35	30%	0.3	18%	0.182	S	C	.	.	H	α-helix	trans	-68.2	-39	178.7	-64.4	169.6	179	166.7	0	111.9	N253 D299 L300 P301 E306 V307 L328	N253-K303 PolarHBondContact OD1-NZ 3.46Å; D299-K303 IonicContact OD2-NZ 2.78Å; D299-K303 PolarHBondContact OD2-NZ 3.1Å; L300-K303 HydrophobicContact CD2-CD 4.2Å; L300-K303 CarbonylContact O-C 3.47Å; L300-K303 WeakPolarHBondContact O-CA 3.35Å; L300-K303 WeakPolarHBondContact O-CB 3.41Å; L300-K303 PolarHBondContact O-N 3.22Å; P301-K303 VanDerWaalsContact C-N 3.31Å; P301-K303 PolarHBondContact O-N 2.87Å; K303-E306 PolarHBondContact O-N 3.05Å; K303-V307 WeakPolarHBondContact O-CB 3.45Å; K303-V307 WeakPolarHBondContact O-CG1 3.35Å; K303-V307 PolarHBondContact O-N 3.33Å; K303-L328 HydrophobicContact CB-CD1 3.73Å; K303-L328 HydrophobicContact CB-CD2 4.11Å
304	F	98	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-45.5	176.2	-69.7	-24.4	0	0	0	111.5	M210 M213 L255 L300 P301 E306 V307 S308 I321 C324 I325 L328	M210-F304 HydrophobicContact CE-CB 4.48Å; M213-F304 HydrophobicContact CE-CD2 3.87Å; M213-F304 HydrophobicContact CE-CE2 4.22Å; M213-F304 HydrophobicContact CG-CB 4.28Å; M213-F304 HydrophobicContact CG-CD2 4.31Å; M213-F304 HydrophobicContact SD-CD2 3.83Å; L255-F304 HydrophobicContact CD2-CZ 4.48Å; L300-F304 HydrophobicContact CB-CD2 4.13Å; L300-F304 HydrophobicContact CB-CE2 3.77Å; L300-F304 HydrophobicContact CB-CZ 4Å; L300-F304 HydrophobicContact CD1-CE2 4.24Å; L300-F304 HydrophobicContact CD1-CZ 3.91Å; L300-F304 HydrophobicContact CD2-CE1 4.19Å; L300-F304 HydrophobicContact CD2-CZ 4.16Å; L300-F304 HydrophobicContact CG-CE2 4.49Å; L300-F304 HydrophobicContact CG-CZ 4.26Å; L300-F304 WeakPolarHBondContact O-CG 3.42Å; L300-F304 PolarHBondContact O-N 3.43Å; P301-F304 PolarHBondContact O-N 3.46Å; F304-E306 VanDerWaalsContact C-N 3.3Å; F304-E306 PolarHBondContact O-N 3.24Å; F304-V307 PolarHBondContact O-N 2.92Å; F304-S308 WeakPolarHBondContact O-CB 3.47Å; F304-S308 PolarHBondContact O-N 3.19Å; F304-S308 PolarHBondContact O-OG 3.49Å; F304-I321 HydrophobicContact CD2-CD1 4.37Å; F304-I321 HydrophobicContact CE2-CG2 4.04Å; F304-I321 HydrophobicContact CZ-CG2 4.04Å; F304-C324 HydrophobicContact CD1-CB 3.72Å; F304-C324 HydrophobicContact CE1-CB 4.13Å; F304-C324 HydrophobicContact CG-CB 4.42Å; F304-I325 HydrophobicContact CE1-CB 3.91Å; F304-I325 HydrophobicContact CE1-CG1 4.39Å; F304-I325 HydrophobicContact CZ-CB 4.24Å; F304-L328 HydrophobicContact CD1-CD1 3.81Å; F304-L328 HydrophobicContact CE1-CD1 3.88Å
305	V	95.6	Very high	95.5	Very high	34 Å²	34	35.4 Å²	35.4	21%	0.206	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-45.7	174.6	171.9	0	0	0	0	110.5	M210 M213 D214 P301 S308	M210-V305 HydrophobicContact CE-CG2 4.17Å; M213-V305 HydrophobicContact CB-CG2 3.79Å; D214-V305 HydrophobicContact CB-CG2 4.21Å; P301-V305 WeakPolarHBondContact O-CG2 3.43Å; P301-V305 PolarHBondContact O-N 3.22Å; V305-S308 PolarHBondContact O-OG 3.28Å
306	E	95.5	Very high	95.3	Very high	114 Å²	114	36 Å²	36	53%	0.533	19%	0.187	S	C	.	.	H	α-helix	trans	-66	-50.1	179.9	-170.8	55.8	-145.9	0	0	112.7	T302 K303 F304 S308 K309	T302-E306 PolarHBondContact O-N 3.45Å; K303-E306 PolarHBondContact O-N 3.05Å; F304-E306 VanDerWaalsContact C-N 3.3Å; F304-E306 PolarHBondContact O-N 3.24Å; E306-S308 VanDerWaalsContact C-N 3.28Å; E306-S308 PolarHBondContact O-N 3.08Å; E306-K309 WeakPolarHBondContact O-CB 3.27Å; E306-K309 PolarHBondContact O-N 3.34Å; E306-K309 IonicContact OE1-NZ 3.14Å; E306-K309 IonicContact OE2-NZ 2.69Å; E306-K309 PolarHBondContact OE2-NZ 3.2Å
307	V	96.6	Very high	95.2	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.097	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-30.7	-175.7	81	0	0	0	0	112.2	K303 F304 K309 S310 I311 C324 K327 L328	K303-V307 WeakPolarHBondContact O-CB 3.45Å; K303-V307 WeakPolarHBondContact O-CG1 3.35Å; K303-V307 PolarHBondContact O-N 3.33Å; F304-V307 PolarHBondContact O-N 2.92Å; V307-K309 PolarHBondContact O-N 3.41Å; V307-S310 PolarHBondContact O-N 3.13Å; V307-S310 PolarHBondContact O-OG 3.25Å; V307-I311 HydrophobicContact CG1-CD1 4.27Å; V307-I311 HydrophobicContact CG2-CD1 4.18Å; V307-C324 HydrophobicContact CG1-CB 3.71Å; V307-K327 HydrophobicContact CG2-CB 3.72Å; V307-K327 HydrophobicContact CG2-CG 3.29Å; V307-L328 HydrophobicContact CB-CD2 4.02Å; V307-L328 HydrophobicContact CB-CG 4.3Å; V307-L328 HydrophobicContact CG1-CD1 4.46Å; V307-L328 HydrophobicContact CG1-CD2 4.41Å; V307-L328 HydrophobicContact CG1-CG 4.22Å; V307-L328 HydrophobicContact CG2-CD2 4.19Å; V307-L328 HydrophobicContact CG2-CG 4.35Å
308	S	94.1	Very high	95.2	Very high	23 Å²	23	37.3 Å²	37.3	16%	0.161	19%	0.193	C	C	.	.	H	α-helix	trans	-57	-30.7	179.7	72.3	0	0	0	0	113	F304 V305 E306 S310 I311 Y320	F304-S308 WeakPolarHBondContact O-CB 3.47Å; F304-S308 PolarHBondContact O-N 3.19Å; F304-S308 PolarHBondContact O-OG 3.49Å; V305-S308 PolarHBondContact O-OG 3.28Å; E306-S308 VanDerWaalsContact C-N 3.28Å; E306-S308 PolarHBondContact O-N 3.08Å; S308-S310 PolarHBondContact O-N 3.47Å; S308-I311 PolarHBondContact O-N 3.12Å; S308-I311 VanDerWaalsContact O-O 3.12Å; S308-Y320 WeakPolarHBondContact CA-OH 3.48Å; S308-Y320 VanDerWaalsContact CB-OH 3.25Å; S308-Y320 WeakPolarHBondContact CB-OH 3.37Å; S308-Y320 PolarHBondContact O-OH 3.11Å
309	K	91.8	Very high	95.2	Very high	150 Å²	150	37 Å²	37	65%	0.652	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.8	176.6	-61.7	172.4	-177.1	169.5	0	113.5	E306 V307	E306-K309 WeakPolarHBondContact O-CB 3.27Å; E306-K309 PolarHBondContact O-N 3.34Å; E306-K309 IonicContact OE1-NZ 3.14Å; E306-K309 IonicContact OE2-NZ 2.69Å; E306-K309 PolarHBondContact OE2-NZ 3.2Å; V307-K309 PolarHBondContact O-N 3.41Å
310	S	92.6	Very high	95.1	Very high	78 Å²	78	35.6 Å²	35.6	55%	0.545	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	1.6	-179.7	72.4	0	0	0	0	114	V307 S308	V307-S310 PolarHBondContact O-N 3.13Å; V307-S310 PolarHBondContact O-OG 3.25Å; S308-S310 PolarHBondContact O-N 3.47Å
311	I	91.6	Very high	95.1	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.108	18%	0.184	C	C	.	.	S	Bend	trans	-123.5	120.6	-172.3	-55.3	174.8	0	0	0	109.8	V307 S308 P313 Y320 M323 C324 K327	V307-I311 HydrophobicContact CG1-CD1 4.27Å; V307-I311 HydrophobicContact CG2-CD1 4.18Å; S308-I311 PolarHBondContact O-N 3.12Å; S308-I311 VanDerWaalsContact O-O 3.12Å; I311-P313 WeakPolarHBondContact O-CD 3.37Å; I311-Y320 HydrophobicContact CB-CE2 4.28Å; I311-Y320 HydrophobicContact CG2-CE2 3.82Å; I311-Y320 PolarHBondContact O-OH 2.85Å; I311-M323 HydrophobicContact CG2-CB 4.38Å; I311-M323 HydrophobicContact CG2-CE 3.23Å; I311-M323 HydrophobicContact CG2-SD 4.01Å; I311-C324 HydrophobicContact CD1-CB 4.47Å; I311-K327 HydrophobicContact CD1-CB 3.78Å; I311-K327 HydrophobicContact CD1-CG 4.01Å; I311-K327 HydrophobicContact CG1-CG 4.36Å
312	K	90.9	Very high	95.1	Very high	94 Å²	94	35.6 Å²	35.6	41%	0.409	18%	0.184	S	C	.	.			trans	-60.7	122.2	177.4	-166.6	174.8	-174.4	-173.7	0	110.7	E111 E278 M279	E111-K312 WeakPolarHBondContact OE1-CE 3.36Å; E278-K312 PolarHBondContact O-NZ 3.34Å; M279-K312 HydrophobicContact CE-CD 4.35Å; M279-K312 HydrophobicContact CE-CG 4.17Å; M279-K312 HydrophobicContact SD-CD 4.25Å; M279-K312 WeakPolarHBondContact SD-CE 3.15Å; M279-K312 PolarHBondContact SD-NZ 3.12Å
313	P	90.5	Very high	95.1	Very high	13 Å²	13	32.9 Å²	32.9	8%	0.084	17%	0.166	C	C	.	.			trans	-84.8	141.6	-174	34.7	-36.7	0	0	0	112.7	E111 A112 T206 M279 I311 Y320	E111-P313 HydrophobicContact CG-CG 4.35Å; A112-P313 HydrophobicContact CB-CB 3.96Å; A112-P313 HydrophobicContact CB-CG 4.39Å; A112-P313 WeakPolarHBondContact O-CB 3.48Å; A112-P313 WeakPolarHBondContact O-CG 3.07Å; T206-P313 HydrophobicContact CG2-CB 4.21Å; M279-P313 WeakPolarHBondContact CE-O 3.29Å; I311-P313 WeakPolarHBondContact O-CD 3.37Å; P313-Y320 VanDerWaalsContact CA-CE2 3.43Å; P313-Y320 HydrophobicContact CB-CD2 4.34Å; P313-Y320 HydrophobicContact CB-CE2 3.79Å
314	F	92	Very high	95.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.			trans	-133.6	170.3	175.2	60.5	-90.7	0	0	0	111.1	T206 V275 M279 Y280 Y285 I316 A319 Y320 M323	T206-F314 WeakPolarHBondContact CB-O 3.09Å; T206-F314 PolarHBondContact OG1-O 3.46Å; V275-F314 HydrophobicContact CG1-CB 4.19Å; V275-F314 HydrophobicContact CG1-CD2 4.08Å; V275-F314 HydrophobicContact CG1-CG 4.2Å; V275-F314 HydrophobicContact CG2-CD2 3.83Å; V275-F314 HydrophobicContact CG2-CE2 4.35Å; M279-F314 HydrophobicContact CB-CB 4.39Å; M279-F314 HydrophobicContact CE-CB 4.39Å; Y280-F314 AromaticContact CD2-CE1 3.74Å; Y280-F314 HydrophobicContact CD2-CE1 3.74Å; Y280-F314 HydrophobicContact CD2-CZ 4.23Å; Y280-F314 HydrophobicContact CE2-CE1 4.45Å; Y280-F314 HydrophobicContact CG-CE1 4.27Å; Y285-F314 HydrophobicContact CD1-CE2 4.37Å; Y285-F314 HydrophobicContact CD1-CZ 4.06Å; Y285-F314 AromaticContact CE1-CE2 3.5Å; Y285-F314 HydrophobicContact CE1-CE2 3.5Å; Y285-F314 AromaticContact CE1-CZ 3.55Å; Y285-F314 HydrophobicContact CE1-CZ 3.55Å; Y285-F314 AromaticContact CZ-CE2 3.98Å; F314-I316 VanDerWaalsContact C-N 3.29Å; F314-I316 HydrophobicContact CD2-CB 3.84Å; F314-I316 HydrophobicContact CD2-CG1 4.02Å; F314-I316 HydrophobicContact CE2-CB 3.67Å; F314-I316 HydrophobicContact CE2-CG1 4.14Å; F314-I316 PolarHBondContact O-N 2.73Å; F314-A319 HydrophobicContact CE2-CB 3.93Å; F314-A319 HydrophobicContact CZ-CB 3.97Å; F314-Y320 HydrophobicContact CD1-CD2 4.4Å; F314-Y320 HydrophobicContact CE1-CD2 4.46Å; F314-M323 HydrophobicContact CD1-CE 3.84Å; F314-M323 HydrophobicContact CE1-CE 3.19Å; F314-M323 HydrophobicContact CE1-CG 4.45Å; F314-M323 HydrophobicContact CE1-SD 3.66Å; F314-M323 HydrophobicContact CZ-CE 4.11Å; F314-M323 HydrophobicContact CZ-SD 4.36Å
315	N	90.1	Very high	95.1	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.043	15%	0.152	C	C	.	.	S	Bend	trans	-74.3	-2.6	-166.5	58.6	-62.3	0	0	0	116.6	L203 Y274	L203-N315 HydrophobicContact CB-CB 4.36Å; L203-N315 HydrophobicContact CD2-CB 3.94Å; L203-N315 WeakPolarHBondContact O-CB 3.25Å; Y274-N315 PolarHBondContact O-ND2 3.1Å; Y274-N315 PolarHBondContact O-OD1 3.42Å
316	I	95.9	Very high	95.2	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	17%	0.169	C	C	.	.			trans	-103.3	92.5	179.6	-46.7	-62	0	0	0	106.9	W273 V275 F314 D318 A319 Y320	W273-I316 HydrophobicContact CB-CD1 4.1Å; V275-I316 HydrophobicContact CG2-CD1 4.31Å; V275-I316 HydrophobicContact CG2-CG1 3.47Å; V275-I316 VanDerWaalsContact CG2-CG1 3.47Å; F314-I316 VanDerWaalsContact C-N 3.29Å; F314-I316 HydrophobicContact CD2-CB 3.84Å; F314-I316 HydrophobicContact CD2-CG1 4.02Å; F314-I316 HydrophobicContact CE2-CB 3.67Å; F314-I316 HydrophobicContact CE2-CG1 4.14Å; F314-I316 PolarHBondContact O-N 2.73Å; I316-D318 VanDerWaalsContact C-N 3.35Å; I316-D318 WeakPolarHBondContact CG2-OD1 3.46Å; I316-D318 PolarHBondContact O-N 3.05Å; I316-A319 HydrophobicContact CB-CB 4.22Å; I316-A319 HydrophobicContact CG2-CB 3.74Å; I316-A319 PolarHBondContact O-N 3.26Å; I316-Y320 PolarHBondContact O-N 3.43Å
317	E	96.3	Very high	95.4	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-38.4	-164.1	109.3	-66.5	175.4	0	0	112.7	L205 T206 T209 K228 G291 Y320 I321	L205-E317 HydrophobicContact CB-CB 4.06Å; L205-E317 HydrophobicContact CB-CG 4.49Å; T206-E317 WeakPolarHBondContact OG1-CA 3.21Å; T209-E317 HydrophobicContact CG2-CG 4.37Å; T209-E317 WeakPolarHBondContact OG1-CG 3.49Å; K228-E317 IonicContact NZ-OE1 2.77Å; K228-E317 PolarHBondContact NZ-OE1 2.87Å; G291-E317 WeakPolarHBondContact CA-OE1 3.33Å; E317-Y320 WeakPolarHBondContact O-CB 3.26Å; E317-Y320 PolarHBondContact O-N 3.46Å; E317-I321 PolarHBondContact O-N 3.45Å
318	D	97.7	Very high	95.4	Very high	14 Å²	14	37.4 Å²	37.4	8%	0.075	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-44.1	-179.7	56.7	-2	0	0	0	111.6	Y288 T289 G291 I316 Y320 I321 G322	Y288-D318 WeakPolarHBondContact CB-O 3.26Å; Y288-D318 HydrophobicContact CD2-CB 3.83Å; Y288-D318 HydrophobicContact CE2-CB 4.06Å; Y288-D318 VanDerWaalsContact CE2-CG 3.44Å; Y288-D318 VanDerWaalsContact CE2-OD2 3.31Å; Y288-D318 WeakPolarHBondContact CE2-OD2 3.5Å; T289-D318 VanDerWaalsContact O-CB 3.29Å; T289-D318 WeakPolarHBondContact O-CB 3.47Å; G291-D318 PolarHBondContact N-OD2 3.26Å; I316-D318 VanDerWaalsContact C-N 3.35Å; I316-D318 WeakPolarHBondContact CG2-OD1 3.46Å; I316-D318 PolarHBondContact O-N 3.05Å; D318-Y320 VanDerWaalsContact C-N 3.31Å; D318-Y320 PolarHBondContact O-N 3.3Å; D318-I321 PolarHBondContact O-N 2.82Å; D318-G322 PolarHBondContact O-N 3.3Å
319	A	97.9	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-34.1	170.6	0	0	0	0	0	112.4	Y285 Y288 F314 I316 G322 M323	Y285-A319 HydrophobicContact CD1-CB 3.77Å; Y285-A319 HydrophobicContact CD2-CB 4.11Å; Y285-A319 HydrophobicContact CE1-CB 3.94Å; Y285-A319 HydrophobicContact CE2-CB 4.24Å; Y285-A319 HydrophobicContact CG-CB 3.86Å; Y288-A319 HydrophobicContact CD1-CB 4.32Å; Y288-A319 HydrophobicContact CE1-CB 4.39Å; Y288-A319 HydrophobicContact CG-CB 4.43Å; F314-A319 HydrophobicContact CE2-CB 3.93Å; F314-A319 HydrophobicContact CZ-CB 3.97Å; I316-A319 HydrophobicContact CB-CB 4.22Å; I316-A319 HydrophobicContact CG2-CB 3.74Å; I316-A319 PolarHBondContact O-N 3.26Å; A319-G322 WeakPolarHBondContact O-CA 3.41Å; A319-G322 PolarHBondContact O-N 3.18Å; A319-M323 PolarHBondContact O-N 2.81Å
320	Y	97.6	Very high	95.9	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-44.8	174.4	-176.4	-98.1	0	0	0	111.8	T206 M210 S308 I311 P313 F314 I316 E317 D318 G322 M323 C324	T206-Y320 HydrophobicContact CG2-CD1 3.52Å; T206-Y320 HydrophobicContact CG2-CD2 4.16Å; T206-Y320 HydrophobicContact CG2-CE1 3.94Å; T206-Y320 HydrophobicContact CG2-CG 3.64Å; M210-Y320 HydrophobicContact CG-CE1 4.16Å; M210-Y320 HydrophobicContact SD-CD1 4.3Å; M210-Y320 HydrophobicContact SD-CE1 3.78Å; S308-Y320 WeakPolarHBondContact CA-OH 3.48Å; S308-Y320 VanDerWaalsContact CB-OH 3.25Å; S308-Y320 WeakPolarHBondContact CB-OH 3.37Å; S308-Y320 PolarHBondContact O-OH 3.11Å; I311-Y320 HydrophobicContact CB-CE2 4.28Å; I311-Y320 HydrophobicContact CG2-CE2 3.82Å; I311-Y320 PolarHBondContact O-OH 2.85Å; P313-Y320 VanDerWaalsContact CA-CE2 3.43Å; P313-Y320 HydrophobicContact CB-CD2 4.34Å; P313-Y320 HydrophobicContact CB-CE2 3.79Å; F314-Y320 HydrophobicContact CD1-CD2 4.4Å; F314-Y320 HydrophobicContact CE1-CD2 4.46Å; I316-Y320 PolarHBondContact O-N 3.43Å; E317-Y320 WeakPolarHBondContact O-CB 3.26Å; E317-Y320 PolarHBondContact O-N 3.46Å; D318-Y320 VanDerWaalsContact C-N 3.31Å; D318-Y320 PolarHBondContact O-N 3.3Å; Y320-G322 VanDerWaalsContact C-N 3.27Å; Y320-G322 PolarHBondContact O-N 3.01Å; Y320-M323 HydrophobicContact CD2-CE 3.3Å; Y320-M323 HydrophobicContact CE2-CE 3.72Å; Y320-M323 HydrophobicContact CG-CE 4.23Å; Y320-M323 WeakPolarHBondContact O-CB 3.27Å; Y320-M323 PolarHBondContact O-N 2.74Å; Y320-C324 PolarHBondContact O-N 2.81Å; Y320-C324 PolarHBondContact O-SG 2.9Å
321	I	98.3	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-37.8	172.2	-66.2	-55.7	0	0	0	111.4	T209 M210 M213 L255 F304 E317 D318 M323 C324 I325	T209-I321 HydrophobicContact CG2-CD1 3.82Å; T209-I321 HydrophobicContact CG2-CG1 3.86Å; M210-I321 HydrophobicContact SD-CD1 4.31Å; M213-I321 HydrophobicContact CE-CD1 3.95Å; L255-I321 HydrophobicContact CD2-CG2 3.92Å; F304-I321 HydrophobicContact CD2-CD1 4.37Å; F304-I321 HydrophobicContact CE2-CG2 4.04Å; F304-I321 HydrophobicContact CZ-CG2 4.04Å; E317-I321 PolarHBondContact O-N 3.45Å; D318-I321 PolarHBondContact O-N 2.82Å; I321-M323 VanDerWaalsContact C-N 3.29Å; I321-M323 PolarHBondContact O-N 3.22Å; I321-C324 WeakPolarHBondContact O-CB 3.41Å; I321-C324 PolarHBondContact O-N 3.13Å; I321-C324 VanDerWaalsContact O-N 3.16Å; I321-I325 PolarHBondContact O-N 3.46Å
322	G	98.1	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.7	-38.5	170.7	0	0	0	0	0	113.9	D318 A319 Y320 I325 K326	D318-G322 PolarHBondContact O-N 3.3Å; A319-G322 WeakPolarHBondContact O-CA 3.41Å; A319-G322 PolarHBondContact O-N 3.18Å; Y320-G322 VanDerWaalsContact C-N 3.27Å; Y320-G322 PolarHBondContact O-N 3.01Å; G322-I325 WeakPolarHBondContact O-CG2 3.39Å; G322-K326 WeakPolarHBondContact O-CB 3.43Å; G322-K326 PolarHBondContact O-N 2.89Å; G322-K326 VanDerWaalsContact O-N 3.16Å
323	M	97.6	Very high	96.8	Very high	25 Å²	25	33 Å²	33	12%	0.123	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-43.8	172.6	-66.1	-161.7	-60.1	0	0	112.5	Y280 P286 I311 F314 A319 Y320 I321 I325 K326 K327	Y280-M323 HydrophobicContact CD2-SD 3.59Å; Y280-M323 VanDerWaalsContact CD2-SD 3.59Å; Y280-M323 HydrophobicContact CE2-CG 4.06Å; Y280-M323 HydrophobicContact CE2-SD 3.39Å; Y280-M323 WeakPolarHBondContact CE2-SD 3.28Å; P286-M323 HydrophobicContact CG-CG 4.13Å; I311-M323 HydrophobicContact CG2-CB 4.38Å; I311-M323 HydrophobicContact CG2-CE 3.23Å; I311-M323 HydrophobicContact CG2-SD 4.01Å; F314-M323 HydrophobicContact CD1-CE 3.84Å; F314-M323 HydrophobicContact CE1-CE 3.19Å; F314-M323 HydrophobicContact CE1-CG 4.45Å; F314-M323 HydrophobicContact CE1-SD 3.66Å; F314-M323 HydrophobicContact CZ-CE 4.11Å; F314-M323 HydrophobicContact CZ-SD 4.36Å; A319-M323 PolarHBondContact O-N 2.81Å; Y320-M323 HydrophobicContact CD2-CE 3.3Å; Y320-M323 HydrophobicContact CE2-CE 3.72Å; Y320-M323 HydrophobicContact CG-CE 4.23Å; Y320-M323 WeakPolarHBondContact O-CB 3.27Å; Y320-M323 PolarHBondContact O-N 2.74Å; I321-M323 VanDerWaalsContact C-N 3.29Å; I321-M323 PolarHBondContact O-N 3.22Å; M323-I325 PolarHBondContact O-N 3.27Å; M323-K326 PolarHBondContact O-N 3.43Å; M323-K327 WeakPolarHBondContact O-CB 3.29Å; M323-K327 PolarHBondContact O-N 2.92Å
324	C	98.1	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.6	-49.1	179.1	-69.3	0	0	0	0	110.8	F304 V307 I311 Y320 I321 K326 K327 L328	F304-C324 HydrophobicContact CD1-CB 3.72Å; F304-C324 HydrophobicContact CE1-CB 4.13Å; F304-C324 HydrophobicContact CG-CB 4.42Å; V307-C324 HydrophobicContact CG1-CB 3.71Å; I311-C324 HydrophobicContact CD1-CB 4.47Å; Y320-C324 PolarHBondContact O-N 2.81Å; Y320-C324 PolarHBondContact O-SG 2.9Å; I321-C324 WeakPolarHBondContact O-CB 3.41Å; I321-C324 PolarHBondContact O-N 3.13Å; I321-C324 VanDerWaalsContact O-N 3.16Å; C324-K326 PolarHBondContact O-N 2.92Å; C324-K327 PolarHBondContact O-N 3.07Å; C324-L328 WeakPolarHBondContact O-CG 3.28Å; C324-L328 PolarHBondContact O-N 3.38Å; C324-L328 VanDerWaalsContact O-N 3.11Å
325	I	98.5	Very high	97.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-38.1	179.5	-162.6	166.4	0	0	0	112.3	L255 F304 I321 G322 M323 K327 L328 L330 P332	L255-I325 HydrophobicContact CB-CD1 3.54Å; L255-I325 HydrophobicContact CD2-CB 4.38Å; L255-I325 HydrophobicContact CD2-CD1 3.59Å; L255-I325 HydrophobicContact CD2-CG2 4.21Å; L255-I325 HydrophobicContact CG-CD1 4.2Å; F304-I325 HydrophobicContact CE1-CB 3.91Å; F304-I325 HydrophobicContact CE1-CG1 4.39Å; F304-I325 HydrophobicContact CZ-CB 4.24Å; I321-I325 PolarHBondContact O-N 3.46Å; G322-I325 WeakPolarHBondContact O-CG2 3.39Å; M323-I325 PolarHBondContact O-N 3.27Å; I325-K327 PolarHBondContact O-N 3.24Å; I325-L328 WeakPolarHBondContact O-CB 3.41Å; I325-L328 PolarHBondContact O-N 3.47Å; I325-L330 HydrophobicContact CD1-CB 4.22Å; I325-L330 HydrophobicContact CG1-CB 3.52Å; I325-L330 HydrophobicContact CG1-CD1 4.49Å; I325-L330 CarbonylContact O-C 3.57Å; I325-L330 PolarHBondContact O-N 2.86Å; I325-P332 HydrophobicContact CG2-CG 4.15Å
326	K	98.2	Very high	97.7	Very high	132 Å²	132	38.8 Å²	38.8	57%	0.574	23%	0.228	S	C	*	.	H	α-helix	trans	-62.9	-41.8	173.7	176.8	173	175.2	-179.7	0	112.1	P286 G322 M323 C324 L328 G329	P286-K326 HydrophobicContact CB-CB 4.3Å; P286-K326 HydrophobicContact CB-CD 3.6Å; P286-K326 HydrophobicContact CG-CD 4.41Å; G322-K326 WeakPolarHBondContact O-CB 3.43Å; G322-K326 PolarHBondContact O-N 2.89Å; G322-K326 VanDerWaalsContact O-N 3.16Å; M323-K326 PolarHBondContact O-N 3.43Å; C324-K326 PolarHBondContact O-N 2.92Å; K326-L328 PolarHBondContact O-N 2.92Å; K326-G329 PolarHBondContact O-N 3.19Å
327	K	98.2	Very high	97.7	Very high	137 Å²	137	41.2 Å²	41.2	60%	0.596	24%	0.241	S	C	*	.	H	α-helix	trans	-65.6	-29.3	179.1	-175.2	66	173.1	-174.1	0	112	V307 I311 M323 C324 I325 G329	V307-K327 HydrophobicContact CG2-CB 3.72Å; V307-K327 HydrophobicContact CG2-CG 3.29Å; I311-K327 HydrophobicContact CD1-CB 3.78Å; I311-K327 HydrophobicContact CD1-CG 4.01Å; I311-K327 HydrophobicContact CG1-CG 4.36Å; M323-K327 WeakPolarHBondContact O-CB 3.29Å; M323-K327 PolarHBondContact O-N 2.92Å; C324-K327 PolarHBondContact O-N 3.07Å; I325-K327 PolarHBondContact O-N 3.24Å; K327-G329 PolarHBondContact O-N 3.29Å
328	L	98.4	Very high	97.7	Very high	58 Å²	58	44.1 Å²	44.1	30%	0.304	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.2	171.1	-66.6	169.9	0	0	0	113.7	K303 F304 V307 C324 I325 K326 L330	K303-L328 HydrophobicContact CB-CD1 3.73Å; K303-L328 HydrophobicContact CB-CD2 4.11Å; F304-L328 HydrophobicContact CD1-CD1 3.81Å; F304-L328 HydrophobicContact CE1-CD1 3.88Å; V307-L328 HydrophobicContact CB-CD2 4.02Å; V307-L328 HydrophobicContact CB-CG 4.3Å; V307-L328 HydrophobicContact CG1-CD1 4.46Å; V307-L328 HydrophobicContact CG1-CD2 4.41Å; V307-L328 HydrophobicContact CG1-CG 4.22Å; V307-L328 HydrophobicContact CG2-CD2 4.19Å; V307-L328 HydrophobicContact CG2-CG 4.35Å; C324-L328 WeakPolarHBondContact O-CG 3.28Å; C324-L328 PolarHBondContact O-N 3.38Å; C324-L328 VanDerWaalsContact O-N 3.11Å; I325-L328 WeakPolarHBondContact O-CB 3.41Å; I325-L328 PolarHBondContact O-N 3.47Å; K326-L328 PolarHBondContact O-N 2.92Å; L328-L330 HydrophobicContact CB-CD1 4.15Å; L328-L330 HydrophobicContact CB-CG 4.2Å; L328-L330 PolarHBondContact O-N 3.49Å
329	G	98.3	Very high	97.6	Very high	70 Å²	70	46.7 Å²	46.7	72%	0.722	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	17.3	-174.6	0	0	0	0	0	113.5	K326 K327	K326-G329 PolarHBondContact O-N 3.19Å; K327-G329 PolarHBondContact O-N 3.29Å
330	L	98.3	Very high	97.6	Very high	44 Å²	44	47.7 Å²	47.7	23%	0.23	29%	0.285	C	S	.	.			trans	-107.4	173.6	179.7	-61.6	174.8	0	0	0	110.2	N253 L300 I325 L328	N253-L330 HydrophobicContact CB-CD1 3.81Å; N253-L330 HydrophobicContact CB-CD2 4.06Å; N253-L330 WeakPolarHBondContact OD1-CD1 3.43Å; L300-L330 HydrophobicContact CD2-CD1 4.05Å; I325-L330 HydrophobicContact CD1-CB 4.22Å; I325-L330 HydrophobicContact CG1-CB 3.52Å; I325-L330 HydrophobicContact CG1-CD1 4.49Å; I325-L330 CarbonylContact O-C 3.57Å; I325-L330 PolarHBondContact O-N 2.86Å; L328-L330 HydrophobicContact CB-CD1 4.15Å; L328-L330 HydrophobicContact CB-CG 4.2Å; L328-L330 PolarHBondContact O-N 3.49Å
331	S	97.5	Very high	97.5	Very high	87 Å²	87	47.5 Å²	47.5	61%	0.608	28%	0.284	S	S	*	.			trans	-142.7	148.5	175	-69.5	0	0	0	0	110.8
332	P	98.3	Very high	97.3	Very high	12 Å²	12	50.4 Å²	50.4	8%	0.078	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-56.8	141.4	169.1	-21.1	32.3	0	0	0	110.9	L255 L259 T287 T289 I325	L255-P332 HydrophobicContact CD2-CB 4.46Å; L255-P332 HydrophobicContact CD2-CG 4.18Å; L255-P332 HydrophobicContact CG-CB 4.49Å; L255-P332 CarbonylContact O-C 3.56Å; L255-P332 WeakPolarHBondContact O-CA 3.42Å; L259-P332 HydrophobicContact CD2-CB 3.57Å; T287-P332 HydrophobicContact CG2-CG 4.34Å; T287-P332 WeakPolarHBondContact O-CG 3.06Å; T289-P332 HydrophobicContact CG2-CB 4.27Å; I325-P332 HydrophobicContact CG2-CG 4.15Å
333	T	97.9	Very high	97	Very high	61 Å²	61	50.9 Å²	50.9	37%	0.374	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-100.9	135.7	178.3	-56.9	0	0	0	0	109.6	Y254 L255 T256	Y254-T333 HydrophobicContact CD2-CG2 4.39Å; Y254-T333 HydrophobicContact CE2-CG2 3.84Å; L255-T333 PolarHBondContact O-N 2.71Å; T256-T333 WeakPolarHBondContact CB-O 3.39Å; T256-T333 PolarHBondContact OG1-O 2.68Å
334	S	97.1	Very high	96.5	Very high	64 Å²	64	56.5 Å²	56.5	45%	0.448	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-62.2	134.6	173.2	-175.4	0	0	0	0	109.4	P338	S334-P338 WeakPolarHBondContact OG-CG 3.41Å
335	P	96.6	Very high	95.4	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.032	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62.7	155.8	172.1	30.1	-36.9	0	0	0	109.5	M243 T256 G257 D337 P338 F341	M243-P335 HydrophobicContact SD-CB 4.01Å; T256-P335 WeakPolarHBondContact OG1-CA 3.37Å; T256-P335 WeakPolarHBondContact OG1-CD 3.36Å; T256-P335 VanDerWaalsContact OG1-N 3.12Å; G257-P335 WeakPolarHBondContact O-CD 2.92Å; P335-D337 PolarHBondContact O-N 3.31Å; P335-P338 HydrophobicContact CG-CB 4.35Å; P335-P338 HydrophobicContact CG-CG 4.33Å; P335-P338 WeakPolarHBondContact O-CD 3.16Å; P335-F341 HydrophobicContact CB-CD2 3.88Å; P335-F341 HydrophobicContact CB-CE2 3.61Å; P335-F341 HydrophobicContact CG-CD2 3.71Å; P335-F341 HydrophobicContact CG-CE2 3.97Å
336	P	96.8	Very high	94.4	Very high	72 Å²	72	63.5 Å²	63.5	47%	0.468	37%	0.368	S	S	.	.	S	Bend	trans	-55.1	-35.6	179.9	-26.5	33.4	0	0	0	113.7	M243 I249	M243-P336 HydrophobicContact CG-CG 4.21Å; I249-P336 HydrophobicContact CD1-CG 3.51Å
337	D	97.1	Very high	93.9	Very high	63 Å²	63	65 Å²	65	34%	0.337	38%	0.375	S	S	.	.			trans	-128.7	99.1	171.4	-179.2	-2.5	0	0	0	109.5	P335 S339 Q340	P335-D337 PolarHBondContact O-N 3.31Å; D337-S339 VanDerWaalsContact CG-OG 3.27Å; D337-S339 PolarHBondContact O-N 2.91Å; D337-S339 VanDerWaalsContact OD1-CB 3.24Å; D337-S339 WeakPolarHBondContact OD1-CB 3.35Å; D337-S339 PolarHBondContact OD1-N 3.43Å; D337-S339 PolarHBondContact OD1-OG 2.77Å; D337-S339 PolarHBondContact OD2-OG 2.73Å; D337-Q340 HydrophobicContact CB-CG 3.9Å; D337-Q340 PolarHBondContact O-N 3.34Å
338	P	96.4	Very high	93.6	Very high	75 Å²	75	60.4 Å²	60.4	49%	0.487	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.7	177.7	-25.6	36.3	0	0	0	114.3	S334 P335 Q340 F341	S334-P338 WeakPolarHBondContact OG-CG 3.41Å; P335-P338 HydrophobicContact CG-CB 4.35Å; P335-P338 HydrophobicContact CG-CG 4.33Å; P335-P338 WeakPolarHBondContact O-CD 3.16Å; P338-Q340 PolarHBondContact O-N 3.1Å; P338-F341 PolarHBondContact O-N 2.98Å
339	S	95.3	Very high	93.4	Very high	68 Å²	68	61.3 Å²	61.3	48%	0.476	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-69.7	-15.8	-179.9	79.9	0	0	0	0	112.9	D337 K342	D337-S339 VanDerWaalsContact CG-OG 3.27Å; D337-S339 PolarHBondContact O-N 2.91Å; D337-S339 VanDerWaalsContact OD1-CB 3.24Å; D337-S339 WeakPolarHBondContact OD1-CB 3.35Å; D337-S339 PolarHBondContact OD1-N 3.43Å; D337-S339 PolarHBondContact OD1-OG 2.77Å; D337-S339 PolarHBondContact OD2-OG 2.73Å; S339-K342 WeakPolarHBondContact O-CE 3.37Å; S339-K342 VanDerWaalsContact O-CG 3.24Å; S339-K342 WeakPolarHBondContact O-CG 3.5Å
340	Q	96.6	Very high	93.3	Very high	20 Å²	20	60 Å²	60	9%	0.093	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-76.4	-26.7	176.8	-56	-166	-78.7	0	0	112.5	D337 P338 K342 K355 I356 I357 T358	D337-Q340 HydrophobicContact CB-CG 3.9Å; D337-Q340 PolarHBondContact O-N 3.34Å; P338-Q340 PolarHBondContact O-N 3.1Å; Q340-K342 PolarHBondContact O-N 3.39Å; Q340-K355 WeakPolarHBondContact CG-O 3.4Å; Q340-K355 PolarHBondContact NE2-O 3.23Å; Q340-I356 CarbonylContact O-C 3.56Å; Q340-I356 WeakPolarHBondContact O-CB 3.19Å; Q340-I357 HydrophobicContact CB-CB 4.42Å; Q340-I357 HydrophobicContact CB-CD1 3.91Å; Q340-I357 HydrophobicContact CB-CG1 3.96Å; Q340-I357 PolarHBondContact O-N 2.98Å; Q340-T358 PolarHBondContact O-N 3.04Å
341	F	96.7	Very high	93.1	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-90.7	91.7	174.4	-72.3	-93.1	0	0	0	109.1	M243 M258 V295 P335 P338 I357 T358	M243-F341 HydrophobicContact CE-CE2 4.15Å; M243-F341 HydrophobicContact CE-CZ 4.03Å; M243-F341 HydrophobicContact SD-CE2 3.7Å; M243-F341 HydrophobicContact SD-CZ 4.18Å; M258-F341 HydrophobicContact CB-CB 4.16Å; M258-F341 WeakPolarHBondContact CE-O 3.4Å; V295-F341 HydrophobicContact CG2-CZ 4.43Å; P335-F341 HydrophobicContact CB-CD2 3.88Å; P335-F341 HydrophobicContact CB-CE2 3.61Å; P335-F341 HydrophobicContact CG-CD2 3.71Å; P335-F341 HydrophobicContact CG-CE2 3.97Å; P338-F341 PolarHBondContact O-N 2.98Å; F341-I357 HydrophobicContact CD2-CD1 4.43Å; F341-I357 HydrophobicContact CE1-CG2 4.29Å; F341-I357 HydrophobicContact CE2-CD1 3.78Å; F341-I357 HydrophobicContact CZ-CD1 4Å; F341-I357 HydrophobicContact CZ-CG2 4.4Å; F341-T358 WeakPolarHBondContact CA-OG1 3.29Å; F341-T358 HydrophobicContact CD1-CG2 3.87Å; F341-T358 HydrophobicContact CE1-CG2 4.15Å
342	K	93.2	Very high	93	Very high	62 Å²	62	57.2 Å²	57.2	27%	0.27	31%	0.311	S	S	.	.			trans	-103.5	140.1	177.4	-63.6	-157.9	-177.4	-174.3	0	111.4	M292 S339 Q340 E352 I356 T358	M292-K342 WeakPolarHBondContact CE-O 3.49Å; S339-K342 WeakPolarHBondContact O-CE 3.37Å; S339-K342 VanDerWaalsContact O-CG 3.24Å; S339-K342 WeakPolarHBondContact O-CG 3.5Å; Q340-K342 PolarHBondContact O-N 3.39Å; K342-E352 IonicContact NZ-OE1 2.71Å; K342-E352 PolarHBondContact NZ-OE1 2.95Å; K342-I356 HydrophobicContact CD-CG2 3.81Å; K342-I356 HydrophobicContact CG-CG2 3.9Å; K342-T358 PolarHBondContact N-O 3.34Å; K342-T358 PolarHBondContact N-OG1 3.33Å; K342-T358 CarbonylContact O-C 3.59Å; K342-T358 VanDerWaalsContact O-C 3.29Å; K342-T358 PolarHBondContact O-OG1 3.4Å; K342-T358 VanDerWaalsContact O-OG1 3.12Å
343	A	91.4	Very high	92.8	Very high	10 Å²	10	56.6 Å²	56.6	8%	0.083	31%	0.307	C	S	.	.	S	Bend	trans	-88.2	-54.3	174.4	0	0	0	0	0	111.3	M258 L290 M292 I360	M258-A343 HydrophobicContact CE-CB 3.95Å; M258-A343 HydrophobicContact SD-CB 4.09Å; L290-A343 HydrophobicContact CD2-CB 4.01Å; M292-A343 HydrophobicContact CE-CB 4.32Å; M292-A343 WeakPolarHBondContact SD-CA 3.25Å; M292-A343 HydrophobicContact SD-CB 3.68Å; A343-I360 HydrophobicContact CB-CD1 4.04Å; A343-I360 WeakPolarHBondContact O-CB 3.23Å; A343-I360 WeakPolarHBondContact O-CD1 3.35Å; A343-I360 VanDerWaalsContact O-CG1 3.25Å; A343-I360 WeakPolarHBondContact O-CG1 3.3Å; A343-I360 PolarHBondContact O-N 3.31Å
344	Y	87.3	Confident	92.8	Very high	142 Å²	142	54.8 Å²	54.8	56%	0.557	30%	0.297	S	S	*	.			trans	-136.5	157	-175.7	-55.3	-74.4	0	0	0	111.1	Y83 Y359 I360	Y83-Y344 HydrophobicContact CD1-CD2 4.41Å; Y83-Y344 AromaticContact CD1-CE2 3.97Å; Y83-Y344 HydrophobicContact CD1-CE2 3.97Å; Y83-Y344 HydrophobicContact CE1-CE2 4.09Å; Y344-Y359 VanDerWaalsContact C-CE2 3.44Å; Y344-I360 HydrophobicContact CD1-CB 4.14Å; Y344-I360 HydrophobicContact CD1-CD1 4.25Å; Y344-I360 HydrophobicContact CE1-CB 3.89Å; Y344-I360 HydrophobicContact CE1-CD1 3.61Å; Y344-I360 HydrophobicContact CE1-CG1 4.35Å; Y344-I360 HydrophobicContact CE1-CG2 3.92Å; Y344-I360 HydrophobicContact CE2-CD1 4.06Å
345	N	75.8	Confident	92.7	Very high	35 Å²	35	57.7 Å²	57.7	19%	0.187	30%	0.302	C	S	.	.			trans	-145	146.2	-176.7	-166.9	-0.1	0	0	0	105.6	K347 E352 Y359	N345-K347 PolarHBondContact ND2-O 3.48Å; N345-K347 VanDerWaalsContact ND2-O 3.11Å; N345-E352 PolarHBondContact ND2-OE1 2.97Å; N345-E352 PolarHBondContact ND2-OE2 2.91Å; N345-Y359 WeakPolarHBondContact CA-OH 3.17Å; N345-Y359 HydrophobicContact CB-CD2 3.98Å; N345-Y359 HydrophobicContact CB-CE2 3.07Å; N345-Y359 WeakPolarHBondContact CB-OH 3.49Å; N345-Y359 PolarHBondContact N-OH 2.96Å; N345-Y359 PolarHBondContact O-OH 3.21Å
346	S	77.4	Confident	92.7	Very high	114 Å²	114	57.6 Å²	57.6	80%	0.797	30%	0.301	S	S	*	.	S	Bend	trans	-72	-35.8	-177	55	0	0	0	0	111.3
347	K	86.8	Confident	92.8	Very high	164 Å²	164	54.2 Å²	54.2	71%	0.713	28%	0.279	S	S	*	.	S	Bend	trans	-152.3	147.4	-179.2	-169.5	179.7	175.6	-174.4	0	110.5	N345 D349	N345-K347 PolarHBondContact ND2-O 3.48Å; N345-K347 VanDerWaalsContact ND2-O 3.11Å; K347-D349 PolarHBondContact O-N 3Å
348	Y	92.2	Very high	92.8	Very high	39 Å²	39	51.2 Å²	51.2	15%	0.153	26%	0.262	C	S	.	.			trans	-63.7	129.5	169.7	171.8	-97.6	0	0	0	111.1	R350 F353 Y370 D373 Y374	Y348-R350 HydrophobicContact CE1-CB 4.48Å; Y348-F353 AromaticContact CD2-CD1 3.96Å; Y348-F353 HydrophobicContact CD2-CD1 3.96Å; Y348-F353 AromaticContact CD2-CD2 3.82Å; Y348-F353 HydrophobicContact CD2-CD2 3.82Å; Y348-F353 AromaticContact CD2-CE1 3.86Å; Y348-F353 HydrophobicContact CD2-CE1 3.86Å; Y348-F353 AromaticContact CD2-CE2 3.71Å; Y348-F353 HydrophobicContact CD2-CE2 3.71Å; Y348-F353 AromaticContact CD2-CG 3.94Å; Y348-F353 HydrophobicContact CD2-CG 3.94Å; Y348-F353 AromaticContact CD2-CZ 3.73Å; Y348-F353 HydrophobicContact CD2-CZ 3.73Å; Y348-F353 HydrophobicContact CE2-CB 4.29Å; Y348-F353 AromaticContact CE2-CD1 3.86Å; Y348-F353 HydrophobicContact CE2-CD1 3.86Å; Y348-F353 HydrophobicContact CE2-CD2 4.12Å; Y348-F353 HydrophobicContact CE2-CE1 4.2Å; Y348-F353 HydrophobicContact CE2-CE2 4.43Å; Y348-F353 AromaticContact CE2-CG 3.82Å; Y348-F353 HydrophobicContact CE2-CG 3.82Å; Y348-F353 HydrophobicContact CE2-CZ 4.46Å; Y348-F353 HydrophobicContact CG-CE2 4.5Å; Y348-Y370 HydrophobicContact CD1-CD1 4.16Å; Y348-Y370 HydrophobicContact CD1-CE1 4.31Å; Y348-Y370 AromaticContact CD2-CD1 3.83Å; Y348-Y370 HydrophobicContact CD2-CD1 3.83Å; Y348-Y370 AromaticContact CD2-CD2 3.53Å; Y348-Y370 HydrophobicContact CD2-CD2 3.53Å; Y348-Y370 HydrophobicContact CD2-CE1 4.27Å; Y348-Y370 AromaticContact CD2-CE2 4Å; Y348-Y370 HydrophobicContact CD2-CE2 4Å; Y348-Y370 AromaticContact CD2-CG 3.44Å; Y348-Y370 HydrophobicContact CD2-CG 3.44Å; Y348-Y370 VanDerWaalsContact CD2-CG 3.44Å; Y348-Y370 HydrophobicContact CE2-CD1 4.32Å; Y348-Y370 HydrophobicContact CE2-CD2 4.29Å; Y348-Y370 AromaticContact CE2-CG 3.86Å; Y348-Y370 HydrophobicContact CE2-CG 3.86Å; Y348-Y370 AromaticContact CG-CD1 3.74Å; Y348-Y370 HydrophobicContact CG-CD1 3.74Å; Y348-Y370 HydrophobicContact CG-CD2 4.02Å; Y348-Y370 AromaticContact CG-CE1 3.82Å; Y348-Y370 HydrophobicContact CG-CE1 3.82Å; Y348-Y370 HydrophobicContact CG-CE2 4.09Å; Y348-Y370 AromaticContact CG-CG 3.86Å; Y348-Y370 HydrophobicContact CG-CG 3.86Å; Y348-Y370 AromaticContact CG-CZ 3.99Å; Y348-Y370 PolarHBondContact OH-O 3.44Å; Y348-D373 HydrophobicContact CE1-CB 4.16Å; Y348-D373 WeakPolarHBondContact CE1-OD2 3.43Å; Y348-D373 PolarHBondContact OH-OD2 3.34Å; Y348-Y374 PolarHBondContact OH-N 3.1Å
349	D	94.4	Very high	92.7	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	24%	0.242	S	C	.	.			trans	-138	123.3	173.8	177.1	-96.6	0	0	0	108.7	K347 C351 E352 F353	K347-D349 PolarHBondContact O-N 3Å; D349-C351 VanDerWaalsContact C-N 3.3Å; D349-C351 PolarHBondContact O-N 3.29Å; D349-C351 WeakPolarHBondContact OD1-CA 2.85Å; D349-C351 VanDerWaalsContact OD1-CB 3.3Å; D349-C351 WeakPolarHBondContact OD1-CB 3.42Å; D349-C351 PolarHBondContact OD1-N 3.25Å; D349-C351 VanDerWaalsContact OD1-N 3.14Å; D349-E352 HydrophobicContact CB-CB 4.06Å; D349-E352 PolarHBondContact O-N 2.93Å; D349-E352 PolarHBondContact OD1-N 3.23Å; D349-F353 WeakPolarHBondContact O-CD2 3.21Å; D349-F353 PolarHBondContact O-N 3.45Å
350	R	95.7	Very high	92.7	Very high	42 Å²	42	46.4 Å²	46.4	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-34.6	-173.2	-177.6	166.4	171.1	-111.8	-7.2	112.3	Y348 S354 D373 Y374 K376 G378 P379 H380	Y348-R350 HydrophobicContact CE1-CB 4.48Å; R350-S354 PolarHBondContact O-N 2.92Å; R350-S354 VanDerWaalsContact O-N 3.15Å; R350-D373 WeakPolarHBondContact CD-O 3.21Å; R350-D373 WeakPolarHBondContact CD-OD2 3.32Å; R350-D373 PolarHBondContact NE-O 3.35Å; R350-D373 VanDerWaalsContact NE-O 3.16Å; R350-Y374 PolarHBondContact NE-O 3.37Å; R350-Y374 VanDerWaalsContact NE-O 3.08Å; R350-K376 PolarHBondContact NH2-O 3.44Å; R350-G378 PolarHBondContact NH2-O 3.32Å; R350-P379 PolarHBondContact NH1-O 3.22Å; R350-H380 HydrophobicContact CG-CB 4.32Å
351	C	95.5	Very high	92.7	Very high	26 Å²	26	45.8 Å²	45.8	18%	0.176	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-43.7	177.9	179	0	0	0	0	111.1	D349 S354 H380 C381	D349-C351 VanDerWaalsContact C-N 3.3Å; D349-C351 PolarHBondContact O-N 3.29Å; D349-C351 WeakPolarHBondContact OD1-CA 2.85Å; D349-C351 VanDerWaalsContact OD1-CB 3.3Å; D349-C351 WeakPolarHBondContact OD1-CB 3.42Å; D349-C351 PolarHBondContact OD1-N 3.25Å; D349-C351 VanDerWaalsContact OD1-N 3.14Å; C351-S354 PolarHBondContact O-N 3.1Å; C351-S354 PolarHBondContact O-OG 3.47Å; C351-H380 WeakPolarHBondContact CA-O 3.25Å; C351-H380 WeakPolarHBondContact CB-O 3.48Å; C351-H380 PolarHBondContact N-O 3.44Å; C351-C381 VanDerWaalsContact CA-SG 3.51Å; C351-C381 HydrophobicContact CB-CB 3.75Å; C351-C381 WeakPolarHBondContact CB-SG 3.37Å; C351-C381 WeakPolarHBondContact SG-CB 3.25Å; C351-C381 CovalentContact SG-SG 2.03Å; C351-C381 PolarHBondContact SG-SG 2.73Å
352	E	94.3	Very high	92.5	Very high	46 Å²	46	50.2 Å²	50.2	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-44.4	175.7	-169.6	-179.5	169.4	0	0	111.8	K342 N345 D349 S354 K355 I356	K342-E352 IonicContact NZ-OE1 2.71Å; K342-E352 PolarHBondContact NZ-OE1 2.95Å; N345-E352 PolarHBondContact ND2-OE1 2.97Å; N345-E352 PolarHBondContact ND2-OE2 2.91Å; D349-E352 HydrophobicContact CB-CB 4.06Å; D349-E352 PolarHBondContact O-N 2.93Å; D349-E352 PolarHBondContact OD1-N 3.23Å; E352-S354 PolarHBondContact O-N 3.41Å; E352-K355 PolarHBondContact O-N 3.35Å; E352-I356 HydrophobicContact CG-CG2 4.47Å; E352-I356 PolarHBondContact O-N 2.82Å
353	F	95.4	Very high	92.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-25.3	179.1	-86.1	-118.2	0	0	0	112.9	F234 N236 Y348 D349 K355 I356 Y359 Y370 Y374	F234-F353 HydrophobicContact CB-CE1 4.24Å; F234-F353 AromaticContact CD1-CD1 3.77Å; F234-F353 HydrophobicContact CD1-CD1 3.77Å; F234-F353 HydrophobicContact CD1-CE1 4.1Å; F234-F353 AromaticContact CD2-CD1 3.94Å; F234-F353 HydrophobicContact CD2-CD1 3.94Å; F234-F353 HydrophobicContact CD2-CE1 4.08Å; F234-F353 AromaticContact CE1-CD1 3.72Å; F234-F353 HydrophobicContact CE1-CD1 3.72Å; F234-F353 HydrophobicContact CE1-CE1 4.5Å; F234-F353 AromaticContact CE2-CD1 3.86Å; F234-F353 HydrophobicContact CE2-CD1 3.86Å; F234-F353 HydrophobicContact CE2-CE1 4.44Å; F234-F353 AromaticContact CG-CD1 3.9Å; F234-F353 HydrophobicContact CG-CD1 3.9Å; F234-F353 AromaticContact CG-CE1 3.9Å; F234-F353 HydrophobicContact CG-CE1 3.9Å; F234-F353 HydrophobicContact CZ-CB 4.43Å; F234-F353 AromaticContact CZ-CD1 3.78Å; F234-F353 HydrophobicContact CZ-CD1 3.78Å; N236-F353 PolarHBondContact ND2-O 2.92Å; Y348-F353 AromaticContact CD2-CD1 3.96Å; Y348-F353 HydrophobicContact CD2-CD1 3.96Å; Y348-F353 AromaticContact CD2-CD2 3.82Å; Y348-F353 HydrophobicContact CD2-CD2 3.82Å; Y348-F353 AromaticContact CD2-CE1 3.86Å; Y348-F353 HydrophobicContact CD2-CE1 3.86Å; Y348-F353 AromaticContact CD2-CE2 3.71Å; Y348-F353 HydrophobicContact CD2-CE2 3.71Å; Y348-F353 AromaticContact CD2-CG 3.94Å; Y348-F353 HydrophobicContact CD2-CG 3.94Å; Y348-F353 AromaticContact CD2-CZ 3.73Å; Y348-F353 HydrophobicContact CD2-CZ 3.73Å; Y348-F353 HydrophobicContact CE2-CB 4.29Å; Y348-F353 AromaticContact CE2-CD1 3.86Å; Y348-F353 HydrophobicContact CE2-CD1 3.86Å; Y348-F353 HydrophobicContact CE2-CD2 4.12Å; Y348-F353 HydrophobicContact CE2-CE1 4.2Å; Y348-F353 HydrophobicContact CE2-CE2 4.43Å; Y348-F353 AromaticContact CE2-CG 3.82Å; Y348-F353 HydrophobicContact CE2-CG 3.82Å; Y348-F353 HydrophobicContact CE2-CZ 4.46Å; Y348-F353 HydrophobicContact CG-CE2 4.5Å; D349-F353 WeakPolarHBondContact O-CD2 3.21Å; D349-F353 PolarHBondContact O-N 3.45Å; F353-K355 PolarHBondContact O-N 3.28Å; F353-I356 HydrophobicContact CD1-CD1 4.26Å; F353-I356 HydrophobicContact CD2-CD1 4.13Å; F353-I356 HydrophobicContact CE2-CD1 4.39Å; F353-I356 HydrophobicContact CG-CD1 4.08Å; F353-Y359 AromaticContact CE1-CD1 3.81Å; F353-Y359 HydrophobicContact CE1-CD1 3.81Å; F353-Y359 AromaticContact CE1-CG 3.96Å; F353-Y359 HydrophobicContact CE1-CG 3.96Å; F353-Y359 AromaticContact CZ-CD1 3.49Å; F353-Y359 HydrophobicContact CZ-CD1 3.49Å; F353-Y359 VanDerWaalsContact CZ-CD1 3.49Å; F353-Y359 HydrophobicContact CZ-CD2 4.13Å; F353-Y359 AromaticContact CZ-CE1 3.81Å; F353-Y359 HydrophobicContact CZ-CE1 3.81Å; F353-Y359 HydrophobicContact CZ-CE2 4.44Å; F353-Y359 AromaticContact CZ-CG 3.66Å; F353-Y359 HydrophobicContact CZ-CG 3.66Å; F353-Y370 HydrophobicContact CE1-CD2 4.16Å; F353-Y370 HydrophobicContact CZ-CD2 4.23Å; F353-Y374 HydrophobicContact CB-CD2 4.44Å
354	S	96.4	Very high	92.8	Very high	22 Å²	22	50.2 Å²	50.2	15%	0.154	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.1	172.4	79.3	0	0	0	0	114.2	N239 R350 C351 E352	N239-S354 PolarHBondContact ND2-O 3.49Å; R350-S354 PolarHBondContact O-N 2.92Å; R350-S354 VanDerWaalsContact O-N 3.15Å; C351-S354 PolarHBondContact O-N 3.1Å; C351-S354 PolarHBondContact O-OG 3.47Å; E352-S354 PolarHBondContact O-N 3.41Å
355	K	96.3	Very high	93.3	Very high	126 Å²	126	49.5 Å²	49.5	55%	0.548	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-26.1	-176.9	-63	171.4	-174.3	172.2	0	113	Q340 E352 F353	Q340-K355 WeakPolarHBondContact CG-O 3.4Å; Q340-K355 PolarHBondContact NE2-O 3.23Å; E352-K355 PolarHBondContact O-N 3.35Å; F353-K355 PolarHBondContact O-N 3.28Å
356	I	96.4	Very high	94.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	26%	0.263	C	S	.	.			trans	-86.2	161.8	-177.9	70.6	-173.4	0	0	0	112.1	N236 N239 Q340 K342 E352 F353 Y359	N236-I356 WeakPolarHBondContact CB-O 3.34Å; N239-I356 PolarHBondContact ND2-O 2.65Å; Q340-I356 CarbonylContact O-C 3.56Å; Q340-I356 WeakPolarHBondContact O-CB 3.19Å; K342-I356 HydrophobicContact CD-CG2 3.81Å; K342-I356 HydrophobicContact CG-CG2 3.9Å; E352-I356 HydrophobicContact CG-CG2 4.47Å; E352-I356 PolarHBondContact O-N 2.82Å; F353-I356 HydrophobicContact CD1-CD1 4.26Å; F353-I356 HydrophobicContact CD2-CD1 4.13Å; F353-I356 HydrophobicContact CE2-CD1 4.39Å; F353-I356 HydrophobicContact CG-CD1 4.08Å; I356-Y359 HydrophobicContact CD1-CD2 4.38Å; I356-Y359 HydrophobicContact CD1-CG 4.44Å
357	I	98.1	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-98.4	-51.4	170.5	-68.3	166.2	0	0	0	109.8	L235 N236 N239 L240 M243 Q340 F341	L235-I357 CarbonylContact C-O 3.56Å; L235-I357 WeakPolarHBondContact CA-O 3.4Å; L235-I357 HydrophobicContact CD1-CG2 3.92Å; N236-I357 PolarHBondContact N-O 3.43Å; N239-I357 HydrophobicContact CB-CG1 3.79Å; L240-I357 HydrophobicContact CB-CG2 3.96Å; L240-I357 HydrophobicContact CD1-CG2 4.38Å; M243-I357 HydrophobicContact CB-CD1 4.21Å; M243-I357 HydrophobicContact CE-CD1 4.43Å; M243-I357 HydrophobicContact SD-CD1 3.75Å; Q340-I357 HydrophobicContact CB-CB 4.42Å; Q340-I357 HydrophobicContact CB-CD1 3.91Å; Q340-I357 HydrophobicContact CB-CG1 3.96Å; Q340-I357 PolarHBondContact O-N 2.98Å; F341-I357 HydrophobicContact CD2-CD1 4.43Å; F341-I357 HydrophobicContact CE1-CG2 4.29Å; F341-I357 HydrophobicContact CE2-CD1 3.78Å; F341-I357 HydrophobicContact CZ-CD1 4Å; F341-I357 HydrophobicContact CZ-CG2 4.4Å
358	T	96.6	Very high	95.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151	-173.8	64.5	0	0	0	0	112.5	M227 L235 M292 Q340 F341 K342	M227-T358 HydrophobicContact CE-CG2 3.85Å; L235-T358 HydrophobicContact CD1-CG2 4.14Å; M292-T358 WeakPolarHBondContact CE-OG1 3.25Å; Q340-T358 PolarHBondContact O-N 3.04Å; F341-T358 WeakPolarHBondContact CA-OG1 3.29Å; F341-T358 HydrophobicContact CD1-CG2 3.87Å; F341-T358 HydrophobicContact CE1-CG2 4.15Å; K342-T358 PolarHBondContact N-O 3.34Å; K342-T358 PolarHBondContact N-OG1 3.33Å; K342-T358 CarbonylContact O-C 3.59Å; K342-T358 VanDerWaalsContact O-C 3.29Å; K342-T358 PolarHBondContact O-OG1 3.4Å; K342-T358 VanDerWaalsContact O-OG1 3.12Å
359	Y	95.2	Very high	96	Very high	17 Å²	17	44 Å²	44	7%	0.067	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	130.8	171.6	-175.8	-98.3	0	0	0	112.6	M233 F234 Y344 N345 F353 I356 L361	M233-Y359 WeakPolarHBondContact CA-O 3.45Å; M233-Y359 WeakPolarHBondContact CE-O 3.37Å; F234-Y359 PolarHBondContact N-O 3.09Å; F234-Y359 PolarHBondContact O-N 3.12Å; Y344-Y359 VanDerWaalsContact C-CE2 3.44Å; N345-Y359 WeakPolarHBondContact CA-OH 3.17Å; N345-Y359 HydrophobicContact CB-CD2 3.98Å; N345-Y359 HydrophobicContact CB-CE2 3.07Å; N345-Y359 WeakPolarHBondContact CB-OH 3.49Å; N345-Y359 PolarHBondContact N-OH 2.96Å; N345-Y359 PolarHBondContact O-OH 3.21Å; F353-Y359 AromaticContact CE1-CD1 3.81Å; F353-Y359 HydrophobicContact CE1-CD1 3.81Å; F353-Y359 AromaticContact CE1-CG 3.96Å; F353-Y359 HydrophobicContact CE1-CG 3.96Å; F353-Y359 AromaticContact CZ-CD1 3.49Å; F353-Y359 HydrophobicContact CZ-CD1 3.49Å; F353-Y359 VanDerWaalsContact CZ-CD1 3.49Å; F353-Y359 HydrophobicContact CZ-CD2 4.13Å; F353-Y359 AromaticContact CZ-CE1 3.81Å; F353-Y359 HydrophobicContact CZ-CE1 3.81Å; F353-Y359 HydrophobicContact CZ-CE2 4.44Å; F353-Y359 AromaticContact CZ-CG 3.66Å; F353-Y359 HydrophobicContact CZ-CG 3.66Å; I356-Y359 HydrophobicContact CD1-CD2 4.38Å; I356-Y359 HydrophobicContact CD1-CG 4.44Å; Y359-L361 HydrophobicContact CD1-CD2 3.56Å; Y359-L361 HydrophobicContact CD1-CG 4.2Å; Y359-L361 HydrophobicContact CE1-CD2 3.78Å
360	I	95.6	Very high	96.2	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.9	177.3	-57.6	164.5	0	0	0	110.2	M233 M292 A343 Y344	M233-I360 HydrophobicContact CE-CG1 3.92Å; M233-I360 HydrophobicContact SD-CB 4.07Å; M233-I360 HydrophobicContact SD-CG1 3.51Å; M233-I360 VanDerWaalsContact SD-CG1 3.51Å; M292-I360 HydrophobicContact CB-CD1 3.92Å; M292-I360 HydrophobicContact CB-CG1 3.87Å; M292-I360 HydrophobicContact SD-CD1 3.97Å; M292-I360 HydrophobicContact SD-CG1 4Å; A343-I360 HydrophobicContact CB-CD1 4.04Å; A343-I360 WeakPolarHBondContact O-CB 3.23Å; A343-I360 WeakPolarHBondContact O-CD1 3.35Å; A343-I360 VanDerWaalsContact O-CG1 3.25Å; A343-I360 WeakPolarHBondContact O-CG1 3.3Å; A343-I360 PolarHBondContact O-N 3.31Å; Y344-I360 HydrophobicContact CD1-CB 4.14Å; Y344-I360 HydrophobicContact CD1-CD1 4.25Å; Y344-I360 HydrophobicContact CE1-CB 3.89Å; Y344-I360 HydrophobicContact CE1-CD1 3.61Å; Y344-I360 HydrophobicContact CE1-CG1 4.35Å; Y344-I360 HydrophobicContact CE1-CG2 3.92Å; Y344-I360 HydrophobicContact CE2-CD1 4.06Å
361	L	95.3	Very high	96.2	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	22%	0.216	C	C	.	.			trans	-103	164.1	175.3	-57.8	172	0	0	0	110.9	D232 F234 Y359 Q366 L367 Y370	D232-L361 WeakPolarHBondContact O-CA 3.28Å; D232-L361 VanDerWaalsContact O-CB 3.28Å; D232-L361 WeakPolarHBondContact O-CB 3.28Å; D232-L361 PolarHBondContact O-N 2.72Å; F234-L361 HydrophobicContact CB-CD1 3.92Å; F234-L361 HydrophobicContact CB-CD2 4.31Å; F234-L361 HydrophobicContact CB-CG 4.15Å; Y359-L361 HydrophobicContact CD1-CD2 3.56Å; Y359-L361 HydrophobicContact CD1-CG 4.2Å; Y359-L361 HydrophobicContact CE1-CD2 3.78Å; L361-Q366 HydrophobicContact CD2-CG 4.08Å; L361-L367 VanDerWaalsContact CD1-CA 3.44Å; L361-L367 HydrophobicContact CD1-CB 3.44Å; L361-L367 VanDerWaalsContact CD1-CB 3.44Å; L361-L367 HydrophobicContact CD1-CD1 3.77Å; L361-L367 HydrophobicContact CD1-CG 4.13Å; L361-Y370 HydrophobicContact CD2-CD2 3.63Å; L361-Y370 HydrophobicContact CD2-CE2 3.88Å
362	S	92.5	Very high	96.3	Very high	97 Å²	97	43.7 Å²	43.7	68%	0.678	23%	0.233	S	C	*	.	S	Bend	trans	-93.8	-19.6	177.7	61.6	0	0	0	0	113.5	Q366	S362-Q366 PolarHBondContact OG-OE1 3.02Å
363	S	95.6	Very high	96.5	Very high	48 Å²	48	43.5 Å²	43.5	34%	0.336	23%	0.234	S	C	.	.			trans	-162.9	160.7	-180	75.4	0	0	0	0	113.5	E365 Q366 L367	S363-E365 PolarHBondContact O-N 3.01Å; S363-E365 PolarHBondContact OG-N 3.43Å; S363-Q366 WeakPolarHBondContact O-CB 3.26Å; S363-Q366 PolarHBondContact O-N 2.85Å; S363-Q366 PolarHBondContact OG-N 3.35Å; S363-Q366 VanDerWaalsContact OG-N 3.1Å; S363-L367 PolarHBondContact O-N 3.25Å; S363-L367 VanDerWaalsContact O-N 3.13Å
364	S	97.1	Very high	96.5	Very high	24 Å²	24	44.2 Å²	44.2	17%	0.168	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-26.1	172.2	-40	0	0	0	0	113.1	A147 L367 K368	A147-S364 VanDerWaalsContact CA-OG 3.27Å; A147-S364 WeakPolarHBondContact CA-OG 3.43Å; A147-S364 PolarHBondContact N-OG 3.23Å; S364-L367 WeakPolarHBondContact O-CB 3.43Å; S364-K368 WeakPolarHBondContact O-CG 3.4Å; S364-K368 PolarHBondContact O-N 3.08Å
365	E	97.3	Very high	96.5	Very high	127 Å²	127	48 Å²	48	59%	0.593	25%	0.25	S	C	*	.	H	α-helix	trans	-70.6	-42.6	173.8	-172.9	-178.4	-178.3	0	0	111.2	S363 L367 K368 N369	S363-E365 PolarHBondContact O-N 3.01Å; S363-E365 PolarHBondContact OG-N 3.43Å; E365-L367 VanDerWaalsContact C-N 3.26Å; E365-L367 PolarHBondContact O-N 2.97Å; E365-K368 PolarHBondContact O-N 2.83Å; E365-N369 VanDerWaalsContact O-CG 3.26Å; E365-N369 PolarHBondContact O-N 3.24Å; E365-N369 PolarHBondContact O-ND2 3.34Å
366	Q	96.1	Very high	96.6	Very high	36 Å²	36	47.5 Å²	47.5	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-40.4	174.1	-167.5	-178.7	28.4	0	0	111	L361 S362 S363 N369 Y370	L361-Q366 HydrophobicContact CD2-CG 4.08Å; S362-Q366 PolarHBondContact OG-OE1 3.02Å; S363-Q366 WeakPolarHBondContact O-CB 3.26Å; S363-Q366 PolarHBondContact O-N 2.85Å; S363-Q366 PolarHBondContact OG-N 3.35Å; S363-Q366 VanDerWaalsContact OG-N 3.1Å; Q366-N369 PolarHBondContact O-N 3.03Å; Q366-Y370 HydrophobicContact CG-CD1 4.31Å; Q366-Y370 HydrophobicContact CG-CD2 3.87Å; Q366-Y370 HydrophobicContact CG-CE1 3.92Å; Q366-Y370 HydrophobicContact CG-CE2 3.42Å; Q366-Y370 VanDerWaalsContact CG-CE2 3.42Å; Q366-Y370 HydrophobicContact CG-CG 4.29Å; Q366-Y370 VanDerWaalsContact CG-CZ 3.46Å; Q366-Y370 VanDerWaalsContact NE2-CZ 3.3Å; Q366-Y370 PolarHBondContact NE2-OH 2.7Å; Q366-Y370 WeakPolarHBondContact O-CB 3.35Å; Q366-Y370 PolarHBondContact O-N 2.99Å
367	L	97.9	Very high	96.5	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-55.6	-54.1	173.6	174.8	54.3	0	0	0	111.4	A150 I151 T154 F234 L361 S363 S364 E365 N369 Y370 W371	A150-L367 HydrophobicContact CB-CD2 4.1Å; I151-L367 HydrophobicContact CG1-CD2 3.93Å; T154-L367 HydrophobicContact CG2-CG 4.3Å; F234-L367 HydrophobicContact CB-CD1 4.45Å; F234-L367 HydrophobicContact CD2-CD1 4.31Å; L361-L367 VanDerWaalsContact CD1-CA 3.44Å; L361-L367 HydrophobicContact CD1-CB 3.44Å; L361-L367 VanDerWaalsContact CD1-CB 3.44Å; L361-L367 HydrophobicContact CD1-CD1 3.77Å; L361-L367 HydrophobicContact CD1-CG 4.13Å; S363-L367 PolarHBondContact O-N 3.25Å; S363-L367 VanDerWaalsContact O-N 3.13Å; S364-L367 WeakPolarHBondContact O-CB 3.43Å; E365-L367 VanDerWaalsContact C-N 3.26Å; E365-L367 PolarHBondContact O-N 2.97Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 3.47Å; L367-Y370 PolarHBondContact O-N 2.82Å; L367-W371 WeakPolarHBondContact O-CB 3.32Å; L367-W371 PolarHBondContact O-N 3.37Å
368	K	98.2	Very high	96.4	Very high	106 Å²	106	55.8 Å²	55.8	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-58.7	-44.2	-179.6	-70.1	-177.8	-62.3	179.3	0	111.9	A150 T154 S364 E365 A372	A150-K368 HydrophobicContact CB-CD 4.27Å; A150-K368 HydrophobicContact CB-CG 3.99Å; T154-K368 HydrophobicContact CG2-CG 4.49Å; S364-K368 WeakPolarHBondContact O-CG 3.4Å; S364-K368 PolarHBondContact O-N 3.08Å; E365-K368 PolarHBondContact O-N 2.83Å; K368-A372 VanDerWaalsContact O-CB 3.25Å; K368-A372 WeakPolarHBondContact O-CB 3.48Å; K368-A372 PolarHBondContact O-N 2.93Å
369	N	97.1	Very high	96.2	Very high	92 Å²	92	60.3 Å²	60.3	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-47.2	-178.7	-68.3	-17	0	0	0	111.9	E365 Q366 L367 A372 D373	E365-N369 VanDerWaalsContact O-CG 3.26Å; E365-N369 PolarHBondContact O-N 3.24Å; E365-N369 PolarHBondContact O-ND2 3.34Å; Q366-N369 PolarHBondContact O-N 3.03Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 3.47Å; N369-A372 PolarHBondContact O-N 3.37Å; N369-D373 PolarHBondContact O-N 2.96Å; N369-D373 VanDerWaalsContact O-N 3.15Å
370	Y	96.9	Very high	96.2	Very high	50 Å²	50	62.9 Å²	62.9	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-68.7	-38.8	179.8	-68.6	-0.8	0	0	0	111.3	Y348 F353 L361 Q366 L367 D373 Y374	Y348-Y370 HydrophobicContact CD1-CD1 4.16Å; Y348-Y370 HydrophobicContact CD1-CE1 4.31Å; Y348-Y370 AromaticContact CD2-CD1 3.83Å; Y348-Y370 HydrophobicContact CD2-CD1 3.83Å; Y348-Y370 AromaticContact CD2-CD2 3.53Å; Y348-Y370 HydrophobicContact CD2-CD2 3.53Å; Y348-Y370 HydrophobicContact CD2-CE1 4.27Å; Y348-Y370 AromaticContact CD2-CE2 4Å; Y348-Y370 HydrophobicContact CD2-CE2 4Å; Y348-Y370 AromaticContact CD2-CG 3.44Å; Y348-Y370 HydrophobicContact CD2-CG 3.44Å; Y348-Y370 VanDerWaalsContact CD2-CG 3.44Å; Y348-Y370 HydrophobicContact CE2-CD1 4.32Å; Y348-Y370 HydrophobicContact CE2-CD2 4.29Å; Y348-Y370 AromaticContact CE2-CG 3.86Å; Y348-Y370 HydrophobicContact CE2-CG 3.86Å; Y348-Y370 AromaticContact CG-CD1 3.74Å; Y348-Y370 HydrophobicContact CG-CD1 3.74Å; Y348-Y370 HydrophobicContact CG-CD2 4.02Å; Y348-Y370 AromaticContact CG-CE1 3.82Å; Y348-Y370 HydrophobicContact CG-CE1 3.82Å; Y348-Y370 HydrophobicContact CG-CE2 4.09Å; Y348-Y370 AromaticContact CG-CG 3.86Å; Y348-Y370 HydrophobicContact CG-CG 3.86Å; Y348-Y370 AromaticContact CG-CZ 3.99Å; Y348-Y370 PolarHBondContact OH-O 3.44Å; F353-Y370 HydrophobicContact CE1-CD2 4.16Å; F353-Y370 HydrophobicContact CZ-CD2 4.23Å; L361-Y370 HydrophobicContact CD2-CD2 3.63Å; L361-Y370 HydrophobicContact CD2-CE2 3.88Å; Q366-Y370 HydrophobicContact CG-CD1 4.31Å; Q366-Y370 HydrophobicContact CG-CD2 3.87Å; Q366-Y370 HydrophobicContact CG-CE1 3.92Å; Q366-Y370 HydrophobicContact CG-CE2 3.42Å; Q366-Y370 VanDerWaalsContact CG-CE2 3.42Å; Q366-Y370 HydrophobicContact CG-CG 4.29Å; Q366-Y370 VanDerWaalsContact CG-CZ 3.46Å; Q366-Y370 VanDerWaalsContact NE2-CZ 3.3Å; Q366-Y370 PolarHBondContact NE2-OH 2.7Å; Q366-Y370 WeakPolarHBondContact O-CB 3.35Å; Q366-Y370 PolarHBondContact O-N 2.99Å; L367-Y370 PolarHBondContact O-N 2.82Å; Y370-D373 PolarHBondContact O-N 3.09Å; Y370-Y374 WeakPolarHBondContact O-CB 3.13Å; Y370-Y374 PolarHBondContact O-N 3Å
371	W	97.6	Very high	96.1	Very high	25 Å²	25	67.2 Å²	67.2	10%	0.095	39%	0.385	C	S	.	.	H	α-helix	trans	-65	-42.9	176.1	-167.8	-101.3	0	0	0	112.5	T154 W155 F234 L367 D373 Y374 K375	T154-W371 VanDerWaalsContact CB-CG 3.47Å; T154-W371 HydrophobicContact CG2-CB 3.59Å; T154-W371 VanDerWaalsContact CG2-CD1 3.49Å; T154-W371 HydrophobicContact CG2-CD2 4.35Å; T154-W371 HydrophobicContact CG2-CG 3.52Å; W155-W371 HydrophobicContact CB-CE3 4.29Å; W155-W371 HydrophobicContact CB-CH2 3.58Å; W155-W371 HydrophobicContact CB-CZ2 4.12Å; W155-W371 HydrophobicContact CB-CZ3 3.68Å; F234-W371 HydrophobicContact CD2-CE3 4.05Å; F234-W371 AromaticContact CE2-CE3 3.44Å; F234-W371 HydrophobicContact CE2-CE3 3.44Å; F234-W371 VanDerWaalsContact CE2-CE3 3.44Å; F234-W371 AromaticContact CE2-CZ3 3.92Å; F234-W371 HydrophobicContact CE2-CZ3 3.92Å; F234-W371 AromaticContact CZ-CE3 3.86Å; F234-W371 HydrophobicContact CZ-CE3 3.86Å; F234-W371 AromaticContact CZ-CZ3 3.85Å; F234-W371 HydrophobicContact CZ-CZ3 3.85Å; L367-W371 WeakPolarHBondContact O-CB 3.32Å; L367-W371 PolarHBondContact O-N 3.37Å; W371-D373 VanDerWaalsContact C-N 3.32Å; W371-D373 PolarHBondContact O-N 3.11Å; W371-Y374 HydrophobicContact CE3-CD1 4.18Å; W371-Y374 HydrophobicContact CZ3-CD1 4.14Å; W371-Y374 HydrophobicContact CZ3-CE1 4.3Å; W371-Y374 PolarHBondContact O-N 3.17Å; W371-K375 HydrophobicContact CD2-CG 4.43Å; W371-K375 HydrophobicContact CG-CG 4.49Å; W371-K375 HydrophobicContact CZ2-CD 4.44Å; W371-K375 HydrophobicContact CZ2-CG 4.46Å; W371-K375 WeakPolarHBondContact O-CB 3.37Å; W371-K375 WeakPolarHBondContact O-CG 3.46Å; W371-K375 PolarHBondContact O-N 3.41Å
372	A	97.4	Very high	96.1	Very high	64 Å²	64	70.2 Å²	70.2	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-41.5	177.9	0	0	0	0	0	111.8	K368 N369	K368-A372 VanDerWaalsContact O-CB 3.25Å; K368-A372 WeakPolarHBondContact O-CB 3.48Å; K368-A372 PolarHBondContact O-N 2.93Å; N369-A372 PolarHBondContact O-N 3.37Å
373	D	97.1	Very high	96.3	Very high	43 Å²	43	68.8 Å²	68.8	23%	0.23	39%	0.388	C	S	.	.	H	α-helix	trans	-69.9	-45.4	174.5	-175.2	78.4	0	0	0	112.2	Y348 R350 N369 Y370 W371 K375 K376	Y348-D373 HydrophobicContact CE1-CB 4.16Å; Y348-D373 WeakPolarHBondContact CE1-OD2 3.43Å; Y348-D373 PolarHBondContact OH-OD2 3.34Å; R350-D373 WeakPolarHBondContact CD-O 3.21Å; R350-D373 WeakPolarHBondContact CD-OD2 3.32Å; R350-D373 PolarHBondContact NE-O 3.35Å; R350-D373 VanDerWaalsContact NE-O 3.16Å; N369-D373 PolarHBondContact O-N 2.96Å; N369-D373 VanDerWaalsContact O-N 3.15Å; Y370-D373 PolarHBondContact O-N 3.09Å; W371-D373 VanDerWaalsContact C-N 3.32Å; W371-D373 PolarHBondContact O-N 3.11Å; D373-K375 VanDerWaalsContact C-N 3.27Å; D373-K375 PolarHBondContact O-N 3.46Å; D373-K376 VanDerWaalsContact O-CB 3.3Å; D373-K376 WeakPolarHBondContact O-CB 3.39Å; D373-K376 WeakPolarHBondContact O-CG 3.38Å; D373-K376 PolarHBondContact O-N 3.02Å; D373-K376 WeakPolarHBondContact OD1-CD 3.07Å; D373-K376 WeakPolarHBondContact OD1-CE 3.44Å; D373-K376 IonicContact OD1-NZ 2.7Å; D373-K376 PolarHBondContact OD1-NZ 2.79Å
374	Y	97	Very high	96.4	Very high	15 Å²	15	69.9 Å²	69.9	6%	0.059	39%	0.39	C	S	.	.	H	α-helix	trans	-53.5	-45	178.2	174.3	-111	0	0	0	111.8	F234 N236 Y348 R350 F353 Y370 W371 K376 H380	F234-Y374 HydrophobicContact CE2-CD1 4.46Å; F234-Y374 HydrophobicContact CE2-CG 4.41Å; F234-Y374 HydrophobicContact CZ-CD1 4.01Å; F234-Y374 HydrophobicContact CZ-CD2 4.38Å; F234-Y374 HydrophobicContact CZ-CE1 4.36Å; F234-Y374 HydrophobicContact CZ-CG 4.03Å; N236-Y374 PolarHBondContact ND2-OH 3.48Å; Y348-Y374 PolarHBondContact OH-N 3.1Å; R350-Y374 PolarHBondContact NE-O 3.37Å; R350-Y374 VanDerWaalsContact NE-O 3.08Å; F353-Y374 HydrophobicContact CB-CD2 4.44Å; Y370-Y374 WeakPolarHBondContact O-CB 3.13Å; Y370-Y374 PolarHBondContact O-N 3Å; W371-Y374 HydrophobicContact CE3-CD1 4.18Å; W371-Y374 HydrophobicContact CZ3-CD1 4.14Å; W371-Y374 HydrophobicContact CZ3-CE1 4.3Å; W371-Y374 PolarHBondContact O-N 3.17Å; Y374-K376 VanDerWaalsContact C-N 3.29Å; Y374-K376 PolarHBondContact O-N 3.49Å; Y374-H380 AromaticContact CD2-CE1 3.72Å; Y374-H380 AromaticContact CD2-ND1 3.83Å; Y374-H380 AromaticContact CE2-CE1 3.33Å; Y374-H380 WeakPolarHBondContact CE2-CE1 3.27Å; Y374-H380 AromaticContact CE2-ND1 3.68Å; Y374-H380 AromaticContact CE2-NE2 3.91Å; Y374-H380 AromaticContact CZ-CE1 3.81Å; Y374-H380 PolarHBondContact O-CE1 3.07Å; Y374-H380 VanDerWaalsContact O-CE1 3.28Å
375	K	96	Very high	96.3	Very high	100 Å²	100	72.6 Å²	72.6	44%	0.435	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.3	-179.5	-71.9	-64.1	-157	178.5	0	115.1	W371 D373	W371-K375 HydrophobicContact CD2-CG 4.43Å; W371-K375 HydrophobicContact CG-CG 4.49Å; W371-K375 HydrophobicContact CZ2-CD 4.44Å; W371-K375 HydrophobicContact CZ2-CG 4.46Å; W371-K375 WeakPolarHBondContact O-CB 3.37Å; W371-K375 WeakPolarHBondContact O-CG 3.46Å; W371-K375 PolarHBondContact O-N 3.41Å; D373-K375 VanDerWaalsContact C-N 3.27Å; D373-K375 PolarHBondContact O-N 3.46Å
376	K	96.8	Very high	96.3	Very high	116 Å²	116	69.3 Å²	69.3	50%	0.504	39%	0.392	S	S	.	.	S	Bend	trans	-56.7	151.7	173.5	-76.3	175.2	-179	165.7	0	111.1	R350 D373 Y374	R350-K376 PolarHBondContact NH2-O 3.44Å; D373-K376 VanDerWaalsContact O-CB 3.3Å; D373-K376 WeakPolarHBondContact O-CB 3.39Å; D373-K376 WeakPolarHBondContact O-CG 3.38Å; D373-K376 PolarHBondContact O-N 3.02Å; D373-K376 WeakPolarHBondContact OD1-CD 3.07Å; D373-K376 WeakPolarHBondContact OD1-CE 3.44Å; D373-K376 IonicContact OD1-NZ 2.7Å; D373-K376 PolarHBondContact OD1-NZ 2.79Å; Y374-K376 VanDerWaalsContact C-N 3.29Å; Y374-K376 PolarHBondContact O-N 3.49Å
377	P	95.9	Very high	96.3	Very high	124 Å²	124	71.5 Å²	71.5	81%	0.805	41%	0.407	S	S	*	.	S	Bend	trans	-64	160.7	173.5	-17.1	29.9	0	0	0	112.3
378	G	94.7	Very high	96.2	Very high	54 Å²	54	76.4 Å²	76.4	56%	0.557	44%	0.435	S	S	*	.	S	Bend	trans	87.2	172.7	177.3	0	0	0	0	0	113.6	R350	R350-G378 PolarHBondContact NH2-O 3.32Å
379	P	93.9	Very high	96	Very high	95 Å²	95	74.2 Å²	74.2	62%	0.617	43%	0.433	S	S	*	.			trans	-54.2	145.3	-177.9	14.9	-25.7	0	0	0	112.5	R350 C381	R350-P379 PolarHBondContact NH1-O 3.22Å; P379-C381 VanDerWaalsContact C-N 3.31Å; P379-C381 WeakPolarHBondContact CB-OXT 3.24Å
380	H	93.8	Very high	95.9	Very high	70 Å²	70	72.7 Å²	72.7	32%	0.324	43%	0.428	S	S	.	.			trans	-72.7	-31.1	169.2	-64.4	-67.1	0	0	0	111.8	R350 C351 Y374	R350-H380 HydrophobicContact CG-CB 4.32Å; C351-H380 WeakPolarHBondContact CA-O 3.25Å; C351-H380 WeakPolarHBondContact CB-O 3.48Å; C351-H380 PolarHBondContact N-O 3.44Å; Y374-H380 AromaticContact CD2-CE1 3.72Å; Y374-H380 AromaticContact CD2-ND1 3.83Å; Y374-H380 AromaticContact CE2-CE1 3.33Å; Y374-H380 WeakPolarHBondContact CE2-CE1 3.27Å; Y374-H380 AromaticContact CE2-ND1 3.68Å; Y374-H380 AromaticContact CE2-NE2 3.91Å; Y374-H380 AromaticContact CZ-CE1 3.81Å; Y374-H380 PolarHBondContact O-CE1 3.07Å; Y374-H380 VanDerWaalsContact O-CE1 3.28Å
381	C	93.8	Very high	95.8	Very high	116 Å²	116	74.7 Å²	74.7	78%	0.784	45%	0.449	S	S	*	.			trans	-128.2	0	171.7	-27.9	0	0	0	0	105.5	C351 P379	C351-C381 VanDerWaalsContact CA-SG 3.51Å; C351-C381 HydrophobicContact CB-CB 3.75Å; C351-C381 WeakPolarHBondContact CB-SG 3.37Å; C351-C381 WeakPolarHBondContact SG-CB 3.25Å; C351-C381 CovalentContact SG-SG 2.03Å; C351-C381 PolarHBondContact SG-SG 2.73Å; P379-C381 VanDerWaalsContact C-N 3.31Å; P379-C381 WeakPolarHBondContact CB-OXT 3.24Å

Retrieved 381 of 381 residues in 431.1 ms (Link to these results)

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