A0A087X0C2_HUMAN Loading...

ABO, alpha 1-3-N-acetylgalactosaminyltransferase and alpha 1-3-galactosyltransferase

AlphaFold DB , UniProt , Accession A0A087X0C2, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 353 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	37	Very low	243 Å²	243	147.6 Å²	147.6	100%	1.197	81%	0.813	S	S	*	*				0	126.3	0	-85.1	-140.7	-75.7	0	0	108
2	A	38.1	Very low	37.4	Very low	84 Å²	84	145.4 Å²	145.4	69%	0.694	81%	0.811	S	S	*	*			trans	56.6	104.7	171.4	0	0	0	0	0	117.2
3	E	39.6	Very low	37.8	Very low	179 Å²	179	148.8 Å²	148.8	84%	0.836	81%	0.811	S	S	*	*				71.9	136.8	71.1	-74.3	-172.2	121.3	0	0	111.5
4	V	39.4	Very low	38.1	Very low	102 Å²	102	145.4 Å²	145.4	62%	0.618	80%	0.803	S	S	*	*			cis	-169.5	129.8	16.9	125	0	0	0	0	105.3
5	L	38.9	Very low	39.2	Very low	139 Å²	139	147.1 Å²	147.1	73%	0.728	80%	0.802	S	S	*	*				63.3	121.8	77.9	-123.9	152.8	0	0	0	114.3
6	R	36.8	Very low	40.1	Very low	214 Å²	214	142.7 Å²	142.7	81%	0.808	79%	0.791	S	S	*	*			trans	132.5	96.7	146	-75.4	-176.7	-174.7	167.1	4.7	112.7
7	T	36.2	Very low	41	Very low	112 Å²	112	141.1 Å²	141.1	69%	0.687	78%	0.78	S	S	*	*				69	117.3	82.2	57.8	0	0	0	0	113.9
8	L	32.2	Very low	41.7	Very low	164 Å²	164	145.2 Å²	145.2	86%	0.859	78%	0.782	S	S	*	*				171.3	104.1	121.7	-88.2	156.7	0	0	0	106.7
9	A	34.2	Very low	42.7	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	77%	0.769	S	S	*	*				73.9	108	93.4	0	0	0	0	0	113.3
10	G	31.3	Very low	43.9	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	76%	0.764	S	S	*	*			trans	169.1	84.6	170.1	0	0	0	0	0	112.5
11	K	40.2	Very low	45.1	Very low	214 Å²	214	139.4 Å²	139.4	93%	0.93	75%	0.751	S	S	*	*			trans	-77.4	136.7	165.2	-82	-179.3	175.8	176.4	0	109.6
12	P	42	Very low	46.6	Very low	121 Å²	121	133.3 Å²	133.3	79%	0.786	72%	0.723	S	S	*	*			trans	-104.4	142.1	151.4	27.3	-13.3	0	0	0	111.6
13	K	42.6	Very low	48.3	Very low	189 Å²	189	136.4 Å²	136.4	82%	0.822	72%	0.721	S	S	*	*			trans	-69.4	125.6	-179.9	-68.3	167.2	172.8	173.3	0	110.6
14	C	42.7	Very low	49.8	Very low	102 Å²	102	133.2 Å²	133.2	69%	0.689	71%	0.709	S	S	*	*			trans	-105	88.5	173.7	-162.5	0	0	0	0	109.5
15	H	54	Low	51.4	Low	171 Å²	171	132.6 Å²	132.6	79%	0.792	70%	0.701	S	S	*	*			trans	-103	14	-177.1	-88.6	-62.5	0	0	0	115
16	A	53.9	Low	53	Low	76 Å²	76	131.6 Å²	131.6	63%	0.628	69%	0.694	S	S	*	*	S	Bend	trans	-112.1	-9.5	-177.4	0	0	0	0	0	115.4
17	L	55.3	Low	54.8	Low	115 Å²	115	126 Å²	126	60%	0.602	68%	0.68	S	S	*	*	H	α-helix	trans	-88.1	-24.9	-171.6	-132.9	80.7	0	0	0	114.6	I21	L17-I21 WeakPolarHBondContact O-CD1 3.32Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å
18	R	54.1	Low	56.6	Low	215 Å²	215	124.3 Å²	124.3	81%	0.811	67%	0.669	S	S	*	*	H	α-helix	trans	-71.4	-39.3	-176	-108.2	-179.6	177.3	-175	-1.3	115.2	L22	R18-L22 PolarHBondContact O-N 3.48Å
19	P	60.3	Low	58.5	Low	84 Å²	84	121.8 Å²	121.8	55%	0.545	66%	0.656	S	S	.	*	H	α-helix	trans	-70.7	-35.7	-179.5	-16.1	29.4	0	0	0	113	L22 F23	P19-L22 PolarHBondContact O-N 3.45Å; P19-F23 PolarHBondContact O-N 3.08Å; P19-F23 VanDerWaalsContact O-N 3.08Å
20	M	65.5	Low	60.2	Low	135 Å²	135	120.8 Å²	120.8	67%	0.665	64%	0.639	S	S	*	*	H	α-helix	trans	-63.2	-41.8	179.2	-96.7	-91	-166.5	0	0	112.5	F23 L24	M20-F23 PolarHBondContact O-N 3.4Å; M20-L24 PolarHBondContact O-N 3.48Å; M20-L24 VanDerWaalsContact O-N 3.09Å
21	I	70.9	Confident	61.6	Low	95 Å²	95	123 Å²	123	49%	0.487	63%	0.633	S	S	.	*	H	α-helix	trans	-67	-40.7	179.3	-65	168.9	0	0	0	110.8	L17 F23 L24 I25	L17-I21 WeakPolarHBondContact O-CD1 3.32Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.11Å; I21-L24 PolarHBondContact O-N 3.37Å; I21-I25 HydrophobicContact CG2-CD1 3.94Å; I21-I25 VanDerWaalsContact O-CG1 3.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.41Å; I21-I25 PolarHBondContact O-N 3.35Å; I21-I25 VanDerWaalsContact O-N 3.11Å
22	L	70.6	Confident	62.4	Low	115 Å²	115	120.4 Å²	120.4	60%	0.602	62%	0.622	S	S	*	*	H	α-helix	trans	-64.2	-38.5	176.2	-79.5	161.8	0	0	0	112.1	R18 P19 I25 M26	R18-L22 PolarHBondContact O-N 3.48Å; P19-L22 PolarHBondContact O-N 3.45Å; L22-I25 PolarHBondContact O-N 3.11Å; L22-M26 WeakPolarHBondContact O-CG 3.42Å; L22-M26 PolarHBondContact O-N 3.11Å; L22-M26 VanDerWaalsContact O-N 3.13Å
23	F	74.1	Confident	62.7	Low	150 Å²	150	116.4 Å²	116.4	66%	0.658	60%	0.603	S	S	*	*	H	α-helix	trans	-66.1	-40.5	177.1	-161.9	-96	0	0	0	112.3	P19 M20 I21 M26 L27	P19-F23 PolarHBondContact O-N 3.08Å; P19-F23 VanDerWaalsContact O-N 3.08Å; M20-F23 PolarHBondContact O-N 3.4Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.11Å; F23-M26 PolarHBondContact O-N 3.09Å; F23-L27 PolarHBondContact O-N 3.09Å; F23-L27 VanDerWaalsContact O-N 3.09Å
24	L	71.3	Confident	63	Low	111 Å²	111	116.4 Å²	116.4	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-64.4	-41	176.2	-118.4	99	0	0	0	112.5	M20 I21 L27 V28	M20-L24 PolarHBondContact O-N 3.48Å; M20-L24 VanDerWaalsContact O-N 3.09Å; I21-L24 PolarHBondContact O-N 3.37Å; L24-L27 PolarHBondContact O-N 3.31Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 2.99Å; L24-V28 VanDerWaalsContact O-N 3.11Å
25	I	73	Confident	63.1	Low	90 Å²	90	114.8 Å²	114.8	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-64.2	-42	178.4	-67.9	166.7	0	0	0	110.7	I21 L22 L27 V28 L29	I21-I25 HydrophobicContact CG2-CD1 3.94Å; I21-I25 VanDerWaalsContact O-CG1 3.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.41Å; I21-I25 PolarHBondContact O-N 3.35Å; I21-I25 VanDerWaalsContact O-N 3.11Å; L22-I25 PolarHBondContact O-N 3.11Å; I25-L27 PolarHBondContact O-N 3.4Å; I25-V28 PolarHBondContact O-N 3.48Å; I25-L29 HydrophobicContact CG2-CD1 4.1Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.25Å; I25-L29 VanDerWaalsContact O-N 3.07Å
26	M	72.8	Confident	62.8	Low	117 Å²	117	112.5 Å²	112.5	58%	0.576	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-39.3	176.9	-71.7	-62.3	-65.8	0	0	112.4	L22 F23 L29 V30	L22-M26 WeakPolarHBondContact O-CG 3.42Å; L22-M26 PolarHBondContact O-N 3.11Å; L22-M26 VanDerWaalsContact O-N 3.13Å; F23-M26 PolarHBondContact O-N 3.09Å; M26-L29 PolarHBondContact O-N 3.45Å; M26-V30 WeakPolarHBondContact O-CG2 3.48Å; M26-V30 PolarHBondContact O-N 3.48Å
27	L	74.4	Confident	62.3	Low	97 Å²	97	115.8 Å²	115.8	51%	0.508	60%	0.603	S	S	.	*	H	α-helix	trans	-64.5	-40.5	177.3	-167.2	75.2	0	0	0	111.9	F23 L24 I25 V30 L31	F23-L27 PolarHBondContact O-N 3.09Å; F23-L27 VanDerWaalsContact O-N 3.09Å; L24-L27 PolarHBondContact O-N 3.31Å; I25-L27 PolarHBondContact O-N 3.4Å; L27-V30 PolarHBondContact O-N 2.96Å; L27-L31 HydrophobicContact CG-CD1 4.18Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.11Å
28	V	72.6	Confident	61.5	Low	77 Å²	77	115.7 Å²	115.7	47%	0.467	61%	0.612	S	S	.	*	H	α-helix	trans	-65.2	-40.8	176.3	173	0	0	0	0	111.3	L24 I25 L31 F32	L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 2.99Å; L24-V28 VanDerWaalsContact O-N 3.11Å; I25-V28 PolarHBondContact O-N 3.48Å; V28-L31 PolarHBondContact O-N 3.34Å; V28-F32 HydrophobicContact CG1-CD2 4.16Å; V28-F32 WeakPolarHBondContact O-CB 3.24Å; V28-F32 PolarHBondContact O-N 3.34Å
29	L	72.4	Confident	60.8	Low	110 Å²	110	110.9 Å²	110.9	58%	0.576	61%	0.609	S	S	*	*	H	α-helix	trans	-67.1	-36.1	177.5	-71.6	170.8	0	0	0	112.7	I25 M26 G33	I25-L29 HydrophobicContact CG2-CD1 4.1Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; I25-L29 PolarHBondContact O-N 3.25Å; I25-L29 VanDerWaalsContact O-N 3.07Å; M26-L29 PolarHBondContact O-N 3.45Å; L29-G33 WeakPolarHBondContact O-CA 3.37Å; L29-G33 PolarHBondContact O-N 3.05Å
30	V	70.3	Confident	59.5	Low	77 Å²	77	118.2 Å²	118.2	47%	0.467	63%	0.626	S	S	.	*	H	α-helix	trans	-69.7	-42.6	175.4	172.6	0	0	0	0	110.9	M26 L27 G33 Y34	M26-V30 WeakPolarHBondContact O-CG2 3.48Å; M26-V30 PolarHBondContact O-N 3.48Å; L27-V30 PolarHBondContact O-N 2.96Å; V30-G33 PolarHBondContact O-N 2.62Å; V30-Y34 HydrophobicContact CG1-CD2 4.08Å; V30-Y34 HydrophobicContact CG1-CE2 4.32Å; V30-Y34 WeakPolarHBondContact O-CD2 3.4Å; V30-Y34 PolarHBondContact O-N 3.25Å; V30-Y34 VanDerWaalsContact O-N 3.09Å
31	L	61	Low	57.8	Low	121 Å²	121	117.7 Å²	117.7	63%	0.634	64%	0.635	S	S	*	*	H	α-helix	trans	-67	-38.8	178.2	-73.4	167.3	0	0	0	112.6	L27 V28	L27-L31 HydrophobicContact CG-CD1 4.18Å; L27-L31 WeakPolarHBondContact O-CB 3.33Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.11Å; V28-L31 PolarHBondContact O-N 3.34Å
32	F	55.8	Low	55.9	Low	160 Å²	160	121 Å²	121	70%	0.702	65%	0.653	S	S	*	*	H	α-helix	trans	-76.8	-31.4	174.9	-95.8	-92.3	0	0	0	113.2	V28 G35	V28-F32 HydrophobicContact CG1-CD2 4.16Å; V28-F32 WeakPolarHBondContact O-CB 3.24Å; V28-F32 PolarHBondContact O-N 3.34Å; F32-G35 PolarHBondContact O-N 3.03Å
33	G	49.9	Very low	54	Low	38 Å²	38	123.9 Å²	123.9	39%	0.392	67%	0.666	S	S	.	*	H	α-helix	trans	-68.3	-34.1	176.3	0	0	0	0	0	113.5	L29 V30	L29-G33 WeakPolarHBondContact O-CA 3.37Å; L29-G33 PolarHBondContact O-N 3.05Å; V30-G33 PolarHBondContact O-N 2.62Å
34	Y	47.7	Very low	52.4	Low	189 Å²	189	122.6 Å²	122.6	74%	0.741	67%	0.672	S	S	*	*	H	α-helix	trans	-76.1	-19.6	175.2	-95	-88.8	0	0	0	113.9	V30 V36	V30-Y34 HydrophobicContact CG1-CD2 4.08Å; V30-Y34 HydrophobicContact CG1-CE2 4.32Å; V30-Y34 WeakPolarHBondContact O-CD2 3.4Å; V30-Y34 PolarHBondContact O-N 3.25Å; V30-Y34 VanDerWaalsContact O-N 3.09Å; Y34-V36 VanDerWaalsContact C-N 3.35Å
35	G	45.1	Very low	50.3	Low	67 Å²	67	120.6 Å²	120.6	69%	0.691	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-14.7	176.3	0	0	0	0	0	114.9	F32	F32-G35 PolarHBondContact O-N 3.03Å
36	V	48.4	Very low	48.2	Very low	123 Å²	123	121.7 Å²	121.7	75%	0.745	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-8.6	-174.2	-180	0	0	0	0	112.7	Y34	Y34-V36 VanDerWaalsContact C-N 3.35Å
37	L	42.9	Very low	46	Very low	145 Å²	145	124.4 Å²	124.4	76%	0.759	71%	0.71	S	S	*	*			trans	-125.7	68.5	-179.3	-78.2	160.3	0	0	0	111.4
38	S	37.7	Very low	44	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	72%	0.719	S	S	*	*			trans	-128.5	99.5	163.6	-152.8	0	0	0	0	109.8
39	P	40.5	Very low	42	Very low	114 Å²	114	133.9 Å²	133.9	74%	0.74	74%	0.737	S	S	*	*			trans	-97.4	100.8	175.6	32.5	-23.5	0	0	0	109.2
40	R	31.7	Very low	39.8	Very low	239 Å²	239	131.8 Å²	131.8	90%	0.902	74%	0.742	S	S	*	*			trans	-173.8	102.3	161.6	-107.4	161.8	-169.2	-166	3.8	111.6
41	S	30.6	Very low	38	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	77%	0.765	S	S	*	*				168.1	95.8	115	57.2	0	0	0	0	110.6
42	L	32.2	Very low	36.4	Very low	165 Å²	165	138.8 Å²	138.8	86%	0.864	78%	0.776	S	S	*	*			trans	-74.8	126.4	151.1	-98.8	91.6	0	0	0	107.6
43	M	30.1	Very low	35	Very low	176 Å²	176	139.4 Å²	139.4	87%	0.867	78%	0.783	S	S	*	*			trans	-158.5	147.1	133.8	-89.3	-49.2	138.1	0	0	109.8
44	P	39.5	Very low	34	Very low	122 Å²	122	142.3 Å²	142.3	79%	0.792	80%	0.803	S	S	*	*			trans	-95.5	140.3	-174.3	36	-29.4	0	0	0	111.7
45	G	27.2	Very low	33.2	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	81%	0.805	S	S	*	*			trans	179.4	100.6	173.1	0	0	0	0	0	113.8
46	S	28.5	Very low	32.5	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	81%	0.813	S	S	*	*			trans	30.9	119	147.2	60	0	0	0	0	120.3
47	L	27.6	Very low	31.8	Very low	174 Å²	174	149 Å²	149	91%	0.911	81%	0.814	S	S	*	*				-169.4	141	108.9	-145.7	73.2	0	0	0	111
48	E	33.1	Very low	31.7	Very low	148 Å²	148	147.9 Å²	147.9	69%	0.692	82%	0.816	S	S	*	*			trans	-60.4	162.2	178.1	-63	-175.5	149	0	0	114.9
49	R	29.9	Very low	32	Very low	225 Å²	225	148.7 Å²	148.7	85%	0.849	81%	0.811	S	S	*	*			trans	96.3	102.1	138.8	-136.4	174.1	-73.3	-172.3	-2.7	116
50	G	26.6	Very low	32.2	Very low	66 Å²	66	151.8 Å²	151.8	68%	0.68	82%	0.816	S	S	*	*			trans	177.1	98.1	166.5	0	0	0	0	0	112.6	C52	G50-C52 PolarHBondContact O-N 2.9Å
51	F	32.6	Very low	33.2	Very low	217 Å²	217	145.1 Å²	145.1	95%	0.952	80%	0.797	S	S	*	*			trans	9.6	101.4	158	-90	-102	0	0	0	117.2
52	C	26.1	Very low	34.4	Very low	127 Å²	127	146.7 Å²	146.7	86%	0.858	79%	0.791	S	S	*	*			trans	-97.9	113.5	159	-89.7	0	0	0	0	109.2	G50 A54	G50-C52 PolarHBondContact O-N 2.9Å; C52-A54 PolarHBondContact O-N 3.28Å
53	M	27.7	Very low	35.8	Very low	174 Å²	174	150.9 Å²	150.9	86%	0.857	80%	0.795	S	S	*	*			trans	-52.2	131.1	160.7	-74.4	-156.2	-82.7	0	0	109.1	V55	M53-V55 PolarHBondContact O-N 3.42Å
54	A	27.5	Very low	38	Very low	98 Å²	98	145.6 Å²	145.6	81%	0.81	77%	0.773	S	S	*	*			trans	-63.2	96.8	175.4	0	0	0	0	0	109.8	C52 R56	C52-A54 PolarHBondContact O-N 3.28Å; A54-R56 PolarHBondContact O-N 3.39Å
55	V	31.5	Very low	40.4	Very low	129 Å²	129	144.9 Å²	144.9	78%	0.782	77%	0.77	S	S	*	*			trans	-74.6	103.4	156.1	179	0	0	0	0	105.5	M53 E57	M53-V55 PolarHBondContact O-N 3.42Å; V55-E57 PolarHBondContact O-N 3.02Å
56	R	31.4	Very low	43.6	Very low	224 Å²	224	144.7 Å²	144.7	85%	0.845	75%	0.753	S	S	*	*			trans	-67	111.8	170.2	-93.7	178.5	172.6	167.6	-2.8	108.3	A54	A54-R56 PolarHBondContact O-N 3.39Å
57	E	33.5	Very low	46.8	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	74%	0.735	S	S	*	*			trans	-68.2	145	162.8	-75.4	-171.9	152.5	0	0	110.1	V55 D59	V55-E57 PolarHBondContact O-N 3.02Å; E57-D59 PolarHBondContact O-N 3.5Å
58	P	40.3	Very low	50.1	Low	122 Å²	122	145.2 Å²	145.2	79%	0.792	73%	0.734	S	S	*	*	S	Bend	trans	-81.3	-5.8	-170.4	-10.1	28.1	0	0	0	115.8
59	D	43.5	Very low	53.2	Low	130 Å²	130	140.6 Å²	140.6	70%	0.695	71%	0.713	S	S	*	*			trans	-111.9	96.2	-173.1	-74	-28.3	0	0	0	111.2	E57 L61	E57-D59 PolarHBondContact O-N 3.5Å; D59-L61 PolarHBondContact O-N 2.75Å
60	H	44.9	Very low	56.4	Low	180 Å²	180	136.2 Å²	136.2	83%	0.833	71%	0.711	S	S	*	*			trans	-70.9	40.8	169.1	-75.7	-69.3	0	0	0	112.8	Q62	H60-Q62 PolarHBondContact O-N 3.2Å
61	L	52	Low	59.8	Low	98 Å²	98	138.5 Å²	138.5	51%	0.513	70%	0.699	S	S	.	*			trans	-79.3	105.4	170.6	-84	159.8	0	0	0	108.5	D59 R63 Q111	D59-L61 PolarHBondContact O-N 2.75Å; L61-R63 PolarHBondContact O-N 3.07Å; L61-R63 VanDerWaalsContact O-N 3.13Å; L61-Q111 HydrophobicContact CD2-CG 4.1Å
62	Q	56.2	Low	62.9	Low	156 Å²	156	133.6 Å²	133.6	73%	0.729	69%	0.689	S	S	*	*			trans	-55.3	122	170.1	-154.7	171	14.1	0	0	107.9	H60 V64	H60-Q62 PolarHBondContact O-N 3.2Å; Q62-V64 HydrophobicContact CB-CG2 4.16Å; Q62-V64 HydrophobicContact CG-CG2 4.29Å; Q62-V64 PolarHBondContact O-N 2.55Å
63	R	61.1	Low	66.3	Low	254 Å²	254	135.7 Å²	135.7	96%	0.958	69%	0.687	S	S	*	*			trans	-73.6	77.7	-176.8	-160.5	-177	-151.5	-177.9	8.3	109.5	L61	L61-R63 PolarHBondContact O-N 3.07Å; L61-R63 VanDerWaalsContact O-N 3.13Å
64	V	77.3	Confident	69.6	Low	65 Å²	65	132 Å²	132	39%	0.394	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-90	129.9	177.1	-164.9	0	0	0	0	108.8	Q62 L110	Q62-V64 HydrophobicContact CB-CG2 4.16Å; Q62-V64 HydrophobicContact CG-CG2 4.29Å; Q62-V64 PolarHBondContact O-N 2.55Å; V64-L110 HydrophobicContact CB-CB 4.14Å; V64-L110 HydrophobicContact CB-CD1 4.25Å; V64-L110 HydrophobicContact CG1-CB 4.07Å; V64-L110 HydrophobicContact CG1-CD1 3.9Å; V64-L110 HydrophobicContact CG1-CD2 3.86Å; V64-L110 HydrophobicContact CG1-CG 4.15Å; V64-L110 HydrophobicContact CG2-CB 4.48Å
65	S	89.6	Confident	72.9	Confident	106 Å²	106	134.8 Å²	134.8	74%	0.741	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-73.9	130.8	175.6	-175.1	0	0	0	0	109.6
66	L	95	Very high	76	Confident	65 Å²	65	135.3 Å²	135.3	34%	0.34	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-61.7	144.4	168.7	-69.5	171.1	0	0	0	109.9	E106 Q107 L110	L66-E106 HydrophobicContact CD2-CB 3.66Å; L66-Q107 HydrophobicContact CD1-CG 4.2Å; L66-Q107 HydrophobicContact CD2-CG 3.89Å; L66-L110 HydrophobicContact CD2-CD1 3.85Å
67	P	95.3	Very high	79.1	Confident	66 Å²	66	132.6 Å²	132.6	43%	0.429	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-65.6	167	172.3	29.5	-34.7	0	0	0	110.6	M69 E106	P67-M69 HydrophobicContact CG-CG 4.42Å; P67-M69 WeakPolarHBondContact O-CG 3.38Å; P67-M69 PolarHBondContact O-N 3.29Å; P67-E106 HydrophobicContact CG-CG 4.42Å
68	R	96.7	Very high	82	Confident	233 Å²	233	128.4 Å²	128.4	88%	0.879	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-60	123.8	168.2	174.7	-177.8	168.6	119.1	-1.4	108.7
69	M	97.7	Very high	84.6	Confident	52 Å²	52	126.1 Å²	126.1	26%	0.256	65%	0.645	S	S	.	*			trans	-123.7	145.8	176	-59.6	176.8	80.8	0	0	109.9	P67 Y71 D102 I103 E106	P67-M69 HydrophobicContact CG-CG 4.42Å; P67-M69 WeakPolarHBondContact O-CG 3.38Å; P67-M69 PolarHBondContact O-N 3.29Å; M69-Y71 HydrophobicContact CB-CD1 3.67Å; M69-Y71 HydrophobicContact CB-CE1 3.71Å; M69-D102 HydrophobicContact CE-CB 3.85Å; M69-I103 HydrophobicContact CE-CG1 4.15Å; M69-I103 HydrophobicContact SD-CG1 4.3Å; M69-E106 HydrophobicContact CE-CG 3.85Å; M69-E106 HydrophobicContact SD-CB 4.47Å; M69-E106 HydrophobicContact SD-CG 4.04Å
70	V	97.8	Very high	87.1	Confident	132 Å²	132	123.8 Å²	123.8	80%	0.8	64%	0.638	S	S	*	*			trans	-114.7	114.6	174.1	-179.1	0	0	0	0	107.4
71	Y	97.3	Very high	89.5	Confident	114 Å²	114	116 Å²	116	45%	0.447	60%	0.601	S	S	.	*			trans	-145.8	160.7	-179	49.7	-104.2	0	0	0	110.3	M69 Q73 I103	M69-Y71 HydrophobicContact CB-CD1 3.67Å; M69-Y71 HydrophobicContact CB-CE1 3.71Å; Y71-Q73 PolarHBondContact O-N 3.4Å; Y71-I103 HydrophobicContact CD1-CD1 3.98Å; Y71-I103 HydrophobicContact CD1-CG1 4.14Å; Y71-I103 HydrophobicContact CD2-CD1 4.24Å; Y71-I103 HydrophobicContact CE1-CD1 3.73Å; Y71-I103 HydrophobicContact CE1-CG1 4.05Å; Y71-I103 HydrophobicContact CE2-CD1 4.02Å; Y71-I103 HydrophobicContact CG-CD1 4.24Å
72	P	97.6	Very high	91.6	Very high	114 Å²	114	120 Å²	120	74%	0.74	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-55.9	130.3	176.6	-25.9	35.4	0	0	0	112.1
73	Q	97.6	Very high	93.3	Very high	171 Å²	171	116.4 Å²	116.4	80%	0.799	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.3	131	178.7	-173.3	-178.1	11	0	0	110.6	Y71 K75	Y71-Q73 PolarHBondContact O-N 3.4Å; Q73-K75 PolarHBondContact O-N 2.94Å
74	P	97.3	Very high	94.8	Very high	96 Å²	96	106 Å²	106	62%	0.623	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-57.3	126.5	172.1	-24.5	34.2	0	0	0	111.1	V76	P74-V76 PolarHBondContact O-N 3.42Å
75	K	97.3	Very high	95.4	Very high	158 Å²	158	109.3 Å²	109.3	69%	0.687	58%	0.58	S	S	*	*			trans	-90.7	94.2	-178.7	-65.4	-176.6	-178.7	-179	0	110.2	Q73 L77 T78	Q73-K75 PolarHBondContact O-N 2.94Å; K75-L77 VanDerWaalsContact C-N 3.26Å; K75-L77 PolarHBondContact O-N 3.13Å; K75-L77 VanDerWaalsContact O-N 3.16Å; K75-T78 PolarHBondContact O-N 3.09Å
76	V	95.8	Very high	95.5	Very high	140 Å²	140	108.9 Å²	108.9	85%	0.848	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-40.9	-175.3	179.3	0	0	0	0	113.3	P74 T78	P74-V76 PolarHBondContact O-N 3.42Å; V76-T78 VanDerWaalsContact C-N 3.32Å
77	L	96.5	Very high	95.6	Very high	167 Å²	167	106 Å²	106	87%	0.874	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	10	-178.5	-57.4	-179.6	0	0	0	113.6	K75	K75-L77 VanDerWaalsContact C-N 3.26Å; K75-L77 PolarHBondContact O-N 3.13Å; K75-L77 VanDerWaalsContact O-N 3.16Å
78	T	96.3	Very high	95.7	Very high	78 Å²	78	108.3 Å²	108.3	48%	0.479	57%	0.573	S	S	.	*	S	Bend	trans	-126.3	111.9	178.3	-55.4	0	0	0	0	109.4	K75 V76 C80	K75-T78 PolarHBondContact O-N 3.09Å; V76-T78 VanDerWaalsContact C-N 3.32Å; T78-C80 PolarHBondContact O-N 3.07Å
79	P	95	Very high	95.8	Very high	73 Å²	73	100.2 Å²	100.2	47%	0.474	54%	0.542	S	S	.	.			trans	-64.3	140	178.8	28.7	-36	0	0	0	110.5	R81 K82	P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 3.37Å; P79-K82 HydrophobicContact CB-CG 4.41Å; P79-K82 HydrophobicContact CG-CD 4.26Å; P79-K82 HydrophobicContact CG-CG 3.54Å
80	C	95.4	Very high	95.8	Very high	82 Å²	82	105.2 Å²	105.2	55%	0.554	57%	0.569	S	S	*	*	S	Bend	trans	-65.8	-31.5	177.6	57.9	0	0	0	0	112.4	T78 G97	T78-C80 PolarHBondContact O-N 3.07Å; C80-G97 WeakPolarHBondContact CB-O 3.4Å
81	R	95.9	Very high	95.8	Very high	16 Å²	16	99.1 Å²	99.1	6%	0.06	53%	0.533	C	S	.	.			trans	-139	139.3	172.4	-65.9	-68.7	-66.9	-94.3	-3	109.3	P79 D83 V84 E96 T98 E321 V334	P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 3.37Å; R81-D83 IonicContact CZ-OD1 2.76Å; R81-D83 IonicContact CZ-OD2 3.67Å; R81-D83 IonicContact NE-OD1 2.74Å; R81-D83 PolarHBondContact NE-OD1 3.03Å; R81-D83 IonicContact NE-OD2 2.85Å; R81-D83 PolarHBondContact NE-OD2 3.48Å; R81-D83 IonicContact NH2-OD1 3.56Å; R81-D83 IonicContact NH2-OD2 2.74Å; R81-D83 PolarHBondContact NH2-OD2 3.49Å; R81-V84 HydrophobicContact CB-CG2 3.58Å; R81-V84 HydrophobicContact CG-CG2 3.96Å; R81-E96 PolarHBondContact NH1-O 3.35Å; R81-T98 HydrophobicContact CG-CG2 3.99Å; R81-E321 IonicContact NH1-OE1 3.11Å; R81-V334 PolarHBondContact NH2-O 3.41Å
82	K	95	Very high	95.8	Very high	181 Å²	181	96.6 Å²	96.6	79%	0.787	53%	0.53	S	S	*	.	S	Bend	trans	-106.3	-4.1	178.8	-69.6	-176.8	179	-177.6	0	112.8	P79	P79-K82 HydrophobicContact CB-CG 4.41Å; P79-K82 HydrophobicContact CG-CD 4.26Å; P79-K82 HydrophobicContact CG-CG 3.54Å
83	D	92.2	Very high	95.9	Very high	81 Å²	81	91.6 Å²	91.6	43%	0.433	50%	0.497	S	S	.	.	S	Bend	trans	-120.6	0.8	-162	56.2	-44.5	0	0	0	112.9	R81	R81-D83 IonicContact CZ-OD1 2.76Å; R81-D83 IonicContact CZ-OD2 3.67Å; R81-D83 IonicContact NE-OD1 2.74Å; R81-D83 PolarHBondContact NE-OD1 3.03Å; R81-D83 IonicContact NE-OD2 2.85Å; R81-D83 PolarHBondContact NE-OD2 3.48Å; R81-D83 IonicContact NH2-OD1 3.56Å; R81-D83 IonicContact NH2-OD2 2.74Å; R81-D83 PolarHBondContact NH2-OD2 3.49Å
84	V	92.3	Very high	95.9	Very high	35 Å²	35	83.7 Å²	83.7	21%	0.212	46%	0.461	C	S	.	.	S	Bend	trans	-143.2	165.2	-179.2	-60.1	0	0	0	0	111.2	R81 W95 V334	R81-V84 HydrophobicContact CB-CG2 3.58Å; R81-V84 HydrophobicContact CG-CG2 3.96Å; V84-W95 HydrophobicContact CB-CD2 4.25Å; V84-W95 HydrophobicContact CB-CG 4.45Å; V84-W95 HydrophobicContact CB-CZ2 4.22Å; V84-W95 HydrophobicContact CG1-CD2 3.85Å; V84-W95 HydrophobicContact CG1-CE3 4.11Å; V84-W95 HydrophobicContact CG1-CG 4.46Å; V84-W95 HydrophobicContact CG1-CH2 3.98Å; V84-W95 HydrophobicContact CG1-CZ2 3.74Å; V84-W95 HydrophobicContact CG1-CZ3 4.14Å; V84-W95 HydrophobicContact CG2-CD2 4.19Å; V84-W95 HydrophobicContact CG2-CG 3.93Å; V84-V334 HydrophobicContact CG1-CG2 3.8Å
85	L	90.3	Very high	96	Very high	135 Å²	135	79.7 Å²	79.7	71%	0.707	43%	0.433	S	S	*	.			trans	-103.2	168.1	-171.6	-66.5	117.9	0	0	0	113.8	I93	L85-I93 WeakPolarHBondContact O-CD1 3.36Å
86	V	90.9	Very high	96.1	Very high	98 Å²	98	74.7 Å²	74.7	59%	0.594	41%	0.412	S	S	*	.			trans	-109.6	152.1	160.4	177.8	0	0	0	0	107.8
87	T	97.2	Very high	96.1	Very high	4 Å²	4	69.7 Å²	69.7	3%	0.025	39%	0.388	C	S	.	.			trans	-68.7	151.6	-179.5	70.4	0	0	0	0	112.1	W89 L90 A91 I93 F262 V317	T87-W89 HydrophobicContact CG2-CH2 4.09Å; T87-W89 HydrophobicContact CG2-CZ2 3.7Å; T87-W89 PolarHBondContact O-N 2.95Å; T87-L90 PolarHBondContact O-N 2.98Å; T87-L90 PolarHBondContact OG1-N 2.88Å; T87-A91 WeakPolarHBondContact CB-O 3.44Å; T87-A91 HydrophobicContact CG2-CB 4.26Å; T87-A91 WeakPolarHBondContact CG2-O 3.39Å; T87-A91 PolarHBondContact N-O 3.15Å; T87-A91 WeakPolarHBondContact OG1-CA 3.39Å; T87-A91 WeakPolarHBondContact OG1-CB 3.45Å; T87-A91 PolarHBondContact OG1-N 3.46Å; T87-A91 PolarHBondContact OG1-O 3.17Å; T87-I93 HydrophobicContact CG2-CD1 3.99Å; T87-I93 HydrophobicContact CG2-CG1 3.67Å; T87-F262 HydrophobicContact CG2-CE2 3.89Å; T87-F262 HydrophobicContact CG2-CZ 4.29Å; T87-V317 HydrophobicContact CG2-CB 4.43Å; T87-V317 HydrophobicContact CG2-CG2 3.84Å
88	P	98	Very high	96.2	Very high	115 Å²	115	64.3 Å²	64.3	75%	0.747	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.3	175.6	-24.9	35.3	0	0	0	115
89	W	98.4	Very high	96.3	Very high	63 Å²	63	62.9 Å²	62.9	24%	0.239	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	20.2	177.4	62.4	89.1	0	0	0	113.1	T87 A91 D261 F262 K313 P314 V317	T87-W89 HydrophobicContact CG2-CH2 4.09Å; T87-W89 HydrophobicContact CG2-CZ2 3.7Å; T87-W89 PolarHBondContact O-N 2.95Å; W89-A91 PolarHBondContact O-N 3.42Å; W89-D261 HydrophobicContact CH2-CB 3.74Å; W89-D261 HydrophobicContact CZ3-CB 3.68Å; W89-F262 AromaticContact CH2-CD2 3.84Å; W89-F262 HydrophobicContact CH2-CD2 3.84Å; W89-F262 AromaticContact CH2-CE2 3.58Å; W89-F262 HydrophobicContact CH2-CE2 3.58Å; W89-F262 HydrophobicContact CZ2-CE2 4.33Å; W89-F262 HydrophobicContact CZ3-CE2 4.21Å; W89-K313 HydrophobicContact CD2-CB 4.11Å; W89-K313 HydrophobicContact CD2-CD 4.28Å; W89-K313 HydrophobicContact CD2-CG 4.18Å; W89-K313 HydrophobicContact CE3-CD 4.25Å; W89-K313 HydrophobicContact CG-CB 4.04Å; W89-K313 HydrophobicContact CG-CG 4.24Å; W89-K313 HydrophobicContact CZ3-CD 4.38Å; W89-P314 HydrophobicContact CZ2-CG 4.12Å; W89-P314 PolarHBondContact NE1-O 3.49Å; W89-V317 HydrophobicContact CZ2-CG2 4.16Å
90	L	97.9	Very high	96.5	Very high	156 Å²	156	61.8 Å²	61.8	82%	0.817	34%	0.34	S	S	*	.	S	Bend	trans	66.2	12.9	173.7	-50.2	178	0	0	0	115.8	T87	T87-L90 PolarHBondContact O-N 2.98Å; T87-L90 PolarHBondContact OG1-N 2.88Å
91	A	98	Very high	96.6	Very high	5 Å²	5	59.9 Å²	59.9	4%	0.041	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-73.4	134	164.2	0	0	0	0	0	110	T87 W89 P314 T315	T87-A91 WeakPolarHBondContact CB-O 3.44Å; T87-A91 HydrophobicContact CG2-CB 4.26Å; T87-A91 WeakPolarHBondContact CG2-O 3.39Å; T87-A91 PolarHBondContact N-O 3.15Å; T87-A91 WeakPolarHBondContact OG1-CA 3.39Å; T87-A91 WeakPolarHBondContact OG1-CB 3.45Å; T87-A91 PolarHBondContact OG1-N 3.46Å; T87-A91 PolarHBondContact OG1-O 3.17Å; W89-A91 PolarHBondContact O-N 3.42Å; A91-P314 VanDerWaalsContact CB-O 3.25Å; A91-P314 WeakPolarHBondContact CB-O 3.33Å; A91-T315 WeakPolarHBondContact CB-O 3.37Å
92	P	97.8	Very high	96.8	Very high	60 Å²	60	63.8 Å²	63.8	39%	0.39	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-69.6	142.6	175.7	30.7	-34.9	0	0	0	110.1	T315 K316 V317	P92-T315 WeakPolarHBondContact CD-O 3.46Å; P92-K316 HydrophobicContact CG-CB 4.49Å; P92-K316 HydrophobicContact CG-CD 4.35Å; P92-K316 HydrophobicContact CG-CG 3.8Å; P92-V317 PolarHBondContact O-N 3.4Å
93	I	98.6	Very high	96.9	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.9	164.2	-47.5	-174.2	0	0	0	107	L85 T87 W95 L231 F262 V317	L85-I93 WeakPolarHBondContact O-CD1 3.36Å; T87-I93 HydrophobicContact CG2-CD1 3.99Å; T87-I93 HydrophobicContact CG2-CG1 3.67Å; I93-W95 VanDerWaalsContact O-CD1 3.29Å; I93-W95 PolarHBondContact O-N 3.03Å; I93-L231 HydrophobicContact CG2-CD1 4.23Å; I93-F262 HydrophobicContact CD1-CE1 4.32Å; I93-F262 HydrophobicContact CD1-CZ 3.85Å; I93-V317 CarbonylContact C-O 3.46Å; I93-V317 WeakPolarHBondContact CA-O 3.34Å; I93-V317 HydrophobicContact CG1-CB 4.25Å; I93-V317 HydrophobicContact CG2-CB 4.34Å; I93-V317 HydrophobicContact CG2-CG1 4.24Å
94	V	98.7	Very high	97.2	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	107	-171.5	-172.8	0	0	0	0	109.7	F99 E222 K316 V317 L318 S319 Y322	V94-F99 HydrophobicContact CG1-CD1 4.05Å; V94-F99 HydrophobicContact CG1-CE1 4.01Å; V94-E222 HydrophobicContact CG1-CB 4.32Å; V94-E222 HydrophobicContact CG1-CG 3.77Å; V94-K316 HydrophobicContact CG2-CB 4.4Å; V94-K316 HydrophobicContact CG2-CD 4.14Å; V94-V317 PolarHBondContact N-O 2.81Å; V94-L318 HydrophobicContact CB-CD2 3.91Å; V94-L318 HydrophobicContact CG2-CD2 3.76Å; V94-S319 WeakPolarHBondContact O-CB 3.4Å; V94-S319 PolarHBondContact O-N 3.37Å; V94-S319 VanDerWaalsContact O-N 3.17Å; V94-S319 PolarHBondContact O-OG 3.05Å; V94-Y322 HydrophobicContact CB-CE2 4.2Å; V94-Y322 HydrophobicContact CG1-CE2 3.81Å; V94-Y322 WeakPolarHBondContact CG1-OH 3.23Å; V94-Y322 WeakPolarHBondContact O-CE2 3.48Å
95	W	98.8	Very high	97.5	Very high	11 Å²	11	54.2 Å²	54.2	4%	0.042	30%	0.302	C	S	.	.			trans	-123.7	155.2	174.2	-64.6	89.1	0	0	0	110.8	V84 I93 G97 T98 S319 P320 E321 V334 L335	V84-W95 HydrophobicContact CB-CD2 4.25Å; V84-W95 HydrophobicContact CB-CG 4.45Å; V84-W95 HydrophobicContact CB-CZ2 4.22Å; V84-W95 HydrophobicContact CG1-CD2 3.85Å; V84-W95 HydrophobicContact CG1-CE3 4.11Å; V84-W95 HydrophobicContact CG1-CG 4.46Å; V84-W95 HydrophobicContact CG1-CH2 3.98Å; V84-W95 HydrophobicContact CG1-CZ2 3.74Å; V84-W95 HydrophobicContact CG1-CZ3 4.14Å; V84-W95 HydrophobicContact CG2-CD2 4.19Å; V84-W95 HydrophobicContact CG2-CG 3.93Å; I93-W95 VanDerWaalsContact O-CD1 3.29Å; I93-W95 PolarHBondContact O-N 3.03Å; W95-G97 PolarHBondContact O-N 2.86Å; W95-T98 HydrophobicContact CB-CG2 3.85Å; W95-T98 PolarHBondContact N-OG1 3.01Å; W95-T98 WeakPolarHBondContact O-CB 3.46Å; W95-T98 WeakPolarHBondContact O-CG2 3.49Å; W95-T98 PolarHBondContact O-N 2.94Å; W95-T98 PolarHBondContact O-OG1 3.43Å; W95-S319 VanDerWaalsContact CE3-CB 3.42Å; W95-P320 VanDerWaalsContact CH2-CD 3.48Å; W95-P320 HydrophobicContact CH2-CG 4.36Å; W95-E321 HydrophobicContact CE3-CG 4.15Å; W95-E321 HydrophobicContact CZ3-CG 4.47Å; W95-V334 HydrophobicContact CH2-CG2 4.31Å; W95-V334 HydrophobicContact CZ3-CG2 4.11Å; W95-L335 HydrophobicContact CH2-CD2 4.46Å; W95-L335 HydrophobicContact CZ3-CD2 3.77Å
96	E	98.6	Very high	97.9	Very high	54 Å²	54	49.8 Å²	49.8	25%	0.252	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.4	170.6	-175.2	57.9	-161.9	0	0	111.2	R81 E321 R336 K337 R339	R81-E96 PolarHBondContact NH1-O 3.35Å; E96-E321 WeakPolarHBondContact CB-OE1 3.39Å; E96-E321 WeakPolarHBondContact CB-OE2 3.42Å; E96-E321 PolarHBondContact N-OE1 2.75Å; E96-E321 PolarHBondContact N-OE2 3.2Å; E96-R336 HydrophobicContact CB-CB 3.9Å; E96-R336 HydrophobicContact CG-CB 3.97Å; E96-K337 HydrophobicContact CB-CD 4.42Å; E96-K337 VanDerWaalsContact CD-CE 3.4Å; E96-K337 HydrophobicContact CG-CD 3.98Å; E96-K337 HydrophobicContact CG-CG 4.27Å; E96-K337 WeakPolarHBondContact OE2-CD 3.34Å; E96-K337 WeakPolarHBondContact OE2-CE 3.49Å; E96-R339 IonicContact OE2-CZ 3.41Å; E96-R339 IonicContact OE2-NH1 3.49Å; E96-R339 IonicContact OE2-NH2 3.91Å; E96-R339 PolarHBondContact OE2-NH2 3.33Å
97	G	97.5	Very high	98.2	Very high	34 Å²	34	48.8 Å²	48.8	35%	0.351	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-3.1	-175.6	0	0	0	0	0	115.2	C80 W95	C80-G97 WeakPolarHBondContact CB-O 3.4Å; W95-G97 PolarHBondContact O-N 2.86Å
98	T	98.2	Very high	98.2	Very high	55 Å²	55	49.5 Å²	49.5	34%	0.337	27%	0.269	S	S	.	.	S	Bend	trans	-90.7	-10.8	178.2	63.7	0	0	0	0	114	R81 W95	R81-T98 HydrophobicContact CG-CG2 3.99Å; W95-T98 HydrophobicContact CB-CG2 3.85Å; W95-T98 PolarHBondContact N-OG1 3.01Å; W95-T98 WeakPolarHBondContact O-CB 3.46Å; W95-T98 WeakPolarHBondContact O-CG2 3.49Å; W95-T98 PolarHBondContact O-N 2.94Å; W95-T98 PolarHBondContact O-OG1 3.43Å
99	F	98.3	Very high	98.1	Very high	48 Å²	48	49.8 Å²	49.8	21%	0.211	26%	0.255	C	S	.	.			trans	-134.9	155.9	-177.2	59.3	-87.8	0	0	0	111.5	V94 I101 L104 E222	V94-F99 HydrophobicContact CG1-CD1 4.05Å; V94-F99 HydrophobicContact CG1-CE1 4.01Å; F99-I101 HydrophobicContact CD2-CB 4.19Å; F99-I101 HydrophobicContact CD2-CD1 4.44Å; F99-I101 HydrophobicContact CE2-CB 4.11Å; F99-I101 HydrophobicContact CE2-CD1 4.26Å; F99-L104 HydrophobicContact CB-CD1 3.78Å; F99-L104 HydrophobicContact CD2-CD1 4.1Å; F99-L104 HydrophobicContact CG-CD1 4.23Å; F99-E222 HydrophobicContact CD1-CB 4.13Å; F99-E222 HydrophobicContact CD1-CG 4.16Å; F99-E222 HydrophobicContact CD2-CB 3.87Å; F99-E222 HydrophobicContact CD2-CG 4.24Å; F99-E222 HydrophobicContact CE1-CB 4.32Å; F99-E222 HydrophobicContact CE1-CG 3.86Å; F99-E222 HydrophobicContact CE2-CB 4.05Å; F99-E222 HydrophobicContact CE2-CG 3.93Å; F99-E222 HydrophobicContact CG-CB 3.92Å; F99-E222 HydrophobicContact CG-CG 4.36Å; F99-E222 HydrophobicContact CZ-CB 4.28Å; F99-E222 HydrophobicContact CZ-CG 3.74Å
100	N	98.5	Very high	98	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.262	26%	0.259	S	S	.	.			trans	-105.3	112.6	165.3	-179.5	-40.9	0	0	0	107.8	D102 I103 L104	N100-D102 VanDerWaalsContact C-N 3.3Å; N100-D102 PolarHBondContact O-N 2.96Å; N100-D102 WeakPolarHBondContact OD1-CB 3.32Å; N100-D102 PolarHBondContact OD1-N 2.91Å; N100-I103 HydrophobicContact CB-CD1 4Å; N100-I103 HydrophobicContact CB-CG1 4.22Å; N100-I103 PolarHBondContact O-N 3.4Å; N100-I103 PolarHBondContact OD1-N 3.31Å; N100-L104 WeakPolarHBondContact O-CG 3.07Å; N100-L104 PolarHBondContact O-N 3.38Å
101	I	98.5	Very high	97.9	Very high	43 Å²	43	45.7 Å²	45.7	22%	0.221	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-27.9	-172.8	-166.4	54	0	0	0	112.9	F99 L104 N105 H218 V221 E222	F99-I101 HydrophobicContact CD2-CB 4.19Å; F99-I101 HydrophobicContact CD2-CD1 4.44Å; F99-I101 HydrophobicContact CE2-CB 4.11Å; F99-I101 HydrophobicContact CE2-CD1 4.26Å; I101-L104 PolarHBondContact O-N 2.87Å; I101-N105 WeakPolarHBondContact O-CB 3.26Å; I101-N105 PolarHBondContact O-N 3.36Å; I101-N105 PolarHBondContact O-ND2 3.45Å; I101-H218 WeakPolarHBondContact CD1-NE2 3.41Å; I101-V221 HydrophobicContact CD1-CG2 4.2Å; I101-E222 WeakPolarHBondContact CD1-OE2 3.3Å
102	D	98.3	Very high	97.9	Very high	97 Å²	97	50.7 Å²	50.7	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-43.9	179.6	-58.4	-40.5	0	0	0	110.7	M69 N100 N105 E106	M69-D102 HydrophobicContact CE-CB 3.85Å; N100-D102 VanDerWaalsContact C-N 3.3Å; N100-D102 PolarHBondContact O-N 2.96Å; N100-D102 WeakPolarHBondContact OD1-CB 3.32Å; N100-D102 PolarHBondContact OD1-N 2.91Å; D102-N105 PolarHBondContact O-N 3Å; D102-E106 PolarHBondContact O-N 2.91Å
103	I	98.3	Very high	97.9	Very high	37 Å²	37	48 Å²	48	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-47.2	177.8	-60.9	177.1	0	0	0	110	M69 Y71 N100 E106 Q107	M69-I103 HydrophobicContact CE-CG1 4.15Å; M69-I103 HydrophobicContact SD-CG1 4.3Å; Y71-I103 HydrophobicContact CD1-CD1 3.98Å; Y71-I103 HydrophobicContact CD1-CG1 4.14Å; Y71-I103 HydrophobicContact CD2-CD1 4.24Å; Y71-I103 HydrophobicContact CE1-CD1 3.73Å; Y71-I103 HydrophobicContact CE1-CG1 4.05Å; Y71-I103 HydrophobicContact CE2-CD1 4.02Å; Y71-I103 HydrophobicContact CG-CD1 4.24Å; N100-I103 HydrophobicContact CB-CD1 4Å; N100-I103 HydrophobicContact CB-CG1 4.22Å; N100-I103 PolarHBondContact O-N 3.4Å; N100-I103 PolarHBondContact OD1-N 3.31Å; I103-E106 PolarHBondContact O-N 3.32Å; I103-Q107 WeakPolarHBondContact O-CG 3.45Å; I103-Q107 PolarHBondContact O-N 3.34Å
104	L	98.4	Very high	97.9	Very high	30 Å²	30	48.3 Å²	48.3	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-43.3	179.3	-64.6	175.3	0	0	0	111.3	F99 N100 I101 E106 Q107 F108 V221 E222	F99-L104 HydrophobicContact CB-CD1 3.78Å; F99-L104 HydrophobicContact CD2-CD1 4.1Å; F99-L104 HydrophobicContact CG-CD1 4.23Å; N100-L104 WeakPolarHBondContact O-CG 3.07Å; N100-L104 PolarHBondContact O-N 3.38Å; I101-L104 PolarHBondContact O-N 2.87Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 3.09Å; L104-Q107 PolarHBondContact O-N 3.43Å; L104-F108 WeakPolarHBondContact O-CD2 3.12Å; L104-F108 PolarHBondContact O-N 2.96Å; L104-V221 HydrophobicContact CB-CG2 3.84Å; L104-E222 HydrophobicContact CD1-CB 3.6Å
105	N	98.5	Very high	97.9	Very high	30 Å²	30	48 Å²	48	16%	0.16	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-43.2	177	-83.4	-26	0	0	0	111.9	I101 D102 R109 H144 V221	I101-N105 WeakPolarHBondContact O-CB 3.26Å; I101-N105 PolarHBondContact O-N 3.36Å; I101-N105 PolarHBondContact O-ND2 3.45Å; D102-N105 PolarHBondContact O-N 3Å; N105-R109 WeakPolarHBondContact O-CB 3.32Å; N105-R109 VanDerWaalsContact O-CG 3.22Å; N105-R109 WeakPolarHBondContact O-CG 3.47Å; N105-R109 PolarHBondContact O-N 2.94Å; N105-R109 PolarHBondContact O-NE 3.42Å; N105-H144 PolarHBondContact OD1-NE2 2.91Å; N105-V221 WeakPolarHBondContact OD1-CG2 3.34Å
106	E	97.9	Very high	97.9	Very high	42 Å²	42	47.5 Å²	47.5	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-48.1	174.1	-73.5	-62.7	157.4	0	0	111.4	L66 P67 M69 D102 I103 L104 F108 R109 L110	L66-E106 HydrophobicContact CD2-CB 3.66Å; P67-E106 HydrophobicContact CG-CG 4.42Å; M69-E106 HydrophobicContact CE-CG 3.85Å; M69-E106 HydrophobicContact SD-CB 4.47Å; M69-E106 HydrophobicContact SD-CG 4.04Å; D102-E106 PolarHBondContact O-N 2.91Å; I103-E106 PolarHBondContact O-N 3.32Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 3.09Å; E106-F108 PolarHBondContact O-N 3.3Å; E106-R109 PolarHBondContact O-N 3.26Å; E106-R109 IonicContact OE1-CZ 2.7Å; E106-R109 IonicContact OE1-NH1 3.22Å; E106-R109 IonicContact OE1-NH2 2.91Å; E106-R109 PolarHBondContact OE1-NH2 3.44Å; E106-R109 IonicContact OE2-NH2 3.1Å; E106-L110 WeakPolarHBondContact O-CB 3.31Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.36Å; E106-L110 PolarHBondContact O-N 3.48Å
107	Q	97	Very high	97.9	Very high	77 Å²	77	45 Å²	45	36%	0.36	23%	0.232	S	C	.	.	H	α-helix	trans	-56	-46.1	-179.5	-73.5	176.3	-31.1	0	0	113.2	L66 I103 L104 Q111	L66-Q107 HydrophobicContact CD1-CG 4.2Å; L66-Q107 HydrophobicContact CD2-CG 3.89Å; I103-Q107 WeakPolarHBondContact O-CG 3.45Å; I103-Q107 PolarHBondContact O-N 3.34Å; L104-Q107 PolarHBondContact O-N 3.43Å; Q107-Q111 WeakPolarHBondContact O-CG 3.42Å; Q107-Q111 PolarHBondContact O-NE2 3.12Å
108	F	97.7	Very high	98	Very high	19 Å²	19	43.4 Å²	43.4	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-81.6	-29.3	-178	-75.9	-83.6	0	0	0	113	L104 E106 Q111 N112 T113 Y205 V221 L224	L104-F108 WeakPolarHBondContact O-CD2 3.12Å; L104-F108 PolarHBondContact O-N 2.96Å; E106-F108 PolarHBondContact O-N 3.3Å; F108-Q111 PolarHBondContact O-N 2.76Å; F108-N112 PolarHBondContact O-N 3.41Å; F108-T113 HydrophobicContact CD1-CG2 4.08Å; F108-T113 WeakPolarHBondContact CD1-OG1 3.24Å; F108-T113 WeakPolarHBondContact O-CB 3.49Å; F108-T113 PolarHBondContact O-N 3.12Å; F108-T113 PolarHBondContact O-OG1 3.25Å; F108-Y205 HydrophobicContact CE1-CE2 4.07Å; F108-V221 HydrophobicContact CB-CB 4.17Å; F108-V221 HydrophobicContact CB-CG1 3.93Å; F108-V221 HydrophobicContact CB-CG2 4.46Å; F108-V221 HydrophobicContact CD2-CB 3.62Å; F108-V221 HydrophobicContact CD2-CG1 4.31Å; F108-V221 HydrophobicContact CD2-CG2 3.86Å; F108-V221 HydrophobicContact CE2-CB 4.15Å; F108-V221 HydrophobicContact CG-CB 3.92Å; F108-V221 HydrophobicContact CG-CG1 4.11Å; F108-V221 HydrophobicContact CG-CG2 4.43Å; F108-L224 HydrophobicContact CD1-CD1 3.95Å; F108-L224 HydrophobicContact CE1-CB 3.78Å; F108-L224 HydrophobicContact CE1-CD1 3.96Å; F108-L224 HydrophobicContact CG-CD1 4.5Å; F108-L224 HydrophobicContact CZ-CB 3.79Å
109	R	96.8	Very high	98	Very high	120 Å²	120	40.8 Å²	40.8	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-68.4	-39.1	173.3	-79.8	-172	-68.5	145.9	-3.1	112.3	N105 E106 Q111 N112	N105-R109 WeakPolarHBondContact O-CB 3.32Å; N105-R109 VanDerWaalsContact O-CG 3.22Å; N105-R109 WeakPolarHBondContact O-CG 3.47Å; N105-R109 PolarHBondContact O-N 2.94Å; N105-R109 PolarHBondContact O-NE 3.42Å; E106-R109 PolarHBondContact O-N 3.26Å; E106-R109 IonicContact OE1-CZ 2.7Å; E106-R109 IonicContact OE1-NH1 3.22Å; E106-R109 IonicContact OE1-NH2 2.91Å; E106-R109 PolarHBondContact OE1-NH2 3.44Å; E106-R109 IonicContact OE2-NH2 3.1Å; R109-Q111 PolarHBondContact O-N 3.46Å; R109-N112 WeakPolarHBondContact O-CA 3.35Å; R109-N112 PolarHBondContact O-N 3.21Å
110	L	96.5	Very high	98.1	Very high	61 Å²	61	39.3 Å²	39.3	32%	0.319	19%	0.193	S	C	.	.	H	α-helix	trans	-63.7	-22.7	176.3	-68.9	171.9	0	0	0	112.8	V64 L66 E106 N112	V64-L110 HydrophobicContact CB-CB 4.14Å; V64-L110 HydrophobicContact CB-CD1 4.25Å; V64-L110 HydrophobicContact CG1-CB 4.07Å; V64-L110 HydrophobicContact CG1-CD1 3.9Å; V64-L110 HydrophobicContact CG1-CD2 3.86Å; V64-L110 HydrophobicContact CG1-CG 4.15Å; V64-L110 HydrophobicContact CG2-CB 4.48Å; L66-L110 HydrophobicContact CD2-CD1 3.85Å; E106-L110 WeakPolarHBondContact O-CB 3.31Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.36Å; E106-L110 PolarHBondContact O-N 3.48Å; L110-N112 VanDerWaalsContact C-N 3.34Å
111	Q	95.5	Very high	98.1	Very high	73 Å²	73	37 Å²	37	34%	0.341	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-1.8	172.9	-65.9	171.1	52.3	0	0	113.1	L61 Q107 F108 R109 T113	L61-Q111 HydrophobicContact CD2-CG 4.1Å; Q107-Q111 WeakPolarHBondContact O-CG 3.42Å; Q107-Q111 PolarHBondContact O-NE2 3.12Å; F108-Q111 PolarHBondContact O-N 2.76Å; R109-Q111 PolarHBondContact O-N 3.46Å; Q111-T113 PolarHBondContact O-N 3.45Å
112	N	97.2	Very high	98.1	Very high	109 Å²	109	35.3 Å²	35.3	58%	0.583	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	40.5	-174.5	-169.3	41.7	0	0	0	113	F108 R109 L110 T114 R145	F108-N112 PolarHBondContact O-N 3.41Å; R109-N112 WeakPolarHBondContact O-CA 3.35Å; R109-N112 PolarHBondContact O-N 3.21Å; L110-N112 VanDerWaalsContact C-N 3.34Å; N112-T114 PolarHBondContact O-N 3.47Å; N112-R145 VanDerWaalsContact OD1-CD 3.26Å; N112-R145 WeakPolarHBondContact OD1-CD 2.96Å
113	T	98.3	Very high	98.1	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.025	16%	0.159	C	C	.	.			trans	-59.1	132.2	-171.6	-52.8	0	0	0	0	111.8	F108 Q111 I115 D204 Y205 L224	F108-T113 HydrophobicContact CD1-CG2 4.08Å; F108-T113 WeakPolarHBondContact CD1-OG1 3.24Å; F108-T113 WeakPolarHBondContact O-CB 3.49Å; F108-T113 PolarHBondContact O-N 3.12Å; F108-T113 PolarHBondContact O-OG1 3.25Å; Q111-T113 PolarHBondContact O-N 3.45Å; T113-I115 HydrophobicContact CG2-CD1 3.98Å; T113-I115 HydrophobicContact CG2-CG1 4.3Å; T113-D204 WeakPolarHBondContact CA-OD2 3.49Å; T113-D204 HydrophobicContact CG2-CB 4.3Å; T113-Y205 HydrophobicContact CG2-CD2 3.67Å; T113-Y205 HydrophobicContact CG2-CE2 3.88Å; T113-L224 HydrophobicContact CG2-CD1 4.1Å
114	T	98.9	Very high	98.1	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.4	172.6	-52.2	0	0	0	0	110.5	N112 R145 V203 D204 Y205	N112-T114 PolarHBondContact O-N 3.47Å; T114-R145 WeakPolarHBondContact CA-O 3.48Å; T114-R145 HydrophobicContact CG2-CB 3.89Å; T114-R145 WeakPolarHBondContact OG1-CD 3.41Å; T114-R145 PolarHBondContact OG1-NE 2.92Å; T114-V203 HydrophobicContact CG2-CB 4.41Å; T114-V203 HydrophobicContact CG2-CG1 3.94Å; T114-D204 PolarHBondContact N-OD2 2.81Å; T114-D204 PolarHBondContact O-N 3.31Å; T114-Y205 PolarHBondContact O-N 2.8Å
115	I	98.9	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.3	-176.1	-54.5	84.9	0	0	0	109.8	T113 F140 M141 H144 R145 V146 H147 V207 L224	T113-I115 HydrophobicContact CG2-CD1 3.98Å; T113-I115 HydrophobicContact CG2-CG1 4.3Å; I115-F140 HydrophobicContact CG2-CE1 4.2Å; I115-F140 HydrophobicContact CG2-CZ 3.83Å; I115-M141 HydrophobicContact CB-CG 4.3Å; I115-M141 HydrophobicContact CD1-CB 4.43Å; I115-M141 HydrophobicContact CD1-CG 4.36Å; I115-M141 HydrophobicContact CD1-SD 4.27Å; I115-M141 HydrophobicContact CG1-CG 4.21Å; I115-M141 HydrophobicContact CG1-SD 4.11Å; I115-M141 HydrophobicContact CG2-CE 4.3Å; I115-M141 HydrophobicContact CG2-CG 4.27Å; I115-H144 HydrophobicContact CD1-CB 3.85Å; I115-R145 PolarHBondContact N-O 3.46Å; I115-V146 VanDerWaalsContact O-CA 3.32Å; I115-V146 WeakPolarHBondContact O-CA 3.41Å; I115-H147 PolarHBondContact O-N 3.06Å; I115-V207 HydrophobicContact CG2-CG2 3.96Å; I115-L224 HydrophobicContact CD1-CD1 4.21Å; I115-L224 HydrophobicContact CG1-CD1 3.76Å; I115-L224 HydrophobicContact CG1-CD2 4.15Å; I115-L224 HydrophobicContact CG2-CD2 4.31Å
116	G	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.5	169.2	0	0	0	0	0	111.6	H147 Y205 L206 V207	G116-H147 CarbonylContact C-O 3.5Å; G116-H147 VanDerWaalsContact CA-O 3.27Å; G116-H147 WeakPolarHBondContact CA-O 3.32Å; G116-Y205 PolarHBondContact N-O 3.43Å; G116-L206 CarbonylContact O-C 3.31Å; G116-L206 WeakPolarHBondContact O-CA 3.36Å; G116-V207 PolarHBondContact O-N 2.95Å
117	L	98.9	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	108.2	172.2	-176.7	62.3	0	0	0	109.4	F132 F140 H147 Y148 Y149 V207 V209 F215	L117-F132 HydrophobicContact CD2-CE1 3.99Å; L117-F132 HydrophobicContact CD2-CZ 3.82Å; L117-F132 HydrophobicContact CG-CZ 4.33Å; L117-F140 HydrophobicContact CB-CE1 3.82Å; L117-F140 HydrophobicContact CB-CZ 4.06Å; L117-F140 HydrophobicContact CD1-CE1 4.41Å; L117-F140 HydrophobicContact CD1-CE2 4.18Å; L117-F140 HydrophobicContact CD1-CZ 3.95Å; L117-F140 HydrophobicContact CD2-CD1 3.96Å; L117-F140 HydrophobicContact CD2-CE1 3.97Å; L117-F140 HydrophobicContact CD2-CG 4.25Å; L117-F140 HydrophobicContact CD2-CZ 4.26Å; L117-F140 HydrophobicContact CG-CE1 4.29Å; L117-F140 HydrophobicContact CG-CZ 4.32Å; L117-H147 PolarHBondContact N-O 3.45Å; L117-Y148 HydrophobicContact CB-CD1 4.04Å; L117-Y148 HydrophobicContact CB-CE1 4.49Å; L117-Y148 HydrophobicContact CD2-CD1 3.83Å; L117-Y148 HydrophobicContact CD2-CE1 3.73Å; L117-Y148 HydrophobicContact CG-CD1 4.36Å; L117-Y149 PolarHBondContact O-N 3.07Å; L117-V207 WeakPolarHBondContact CA-O 3.49Å; L117-V207 HydrophobicContact CD1-CB 3.84Å; L117-V207 HydrophobicContact CD1-CG1 3.65Å; L117-V209 HydrophobicContact CD1-CG1 4.32Å; L117-V209 HydrophobicContact CD1-CG2 3.69Å; L117-V209 HydrophobicContact CG-CG2 4.42Å; L117-F215 HydrophobicContact CD2-CZ 4.37Å
118	T	98.9	Very high	98.2	Very high	2 Å²	2	35 Å²	35	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.5	177.5	68.3	0	0	0	0	110.5	Y149 F151 F199 L206 V207 C208 V209	T118-Y149 WeakPolarHBondContact CA-O 3.37Å; T118-Y149 HydrophobicContact CG2-CD2 4.27Å; T118-F151 HydrophobicContact CG2-CE2 4.13Å; T118-F199 HydrophobicContact CG2-CE2 4.1Å; T118-F199 HydrophobicContact CG2-CZ 3.8Å; T118-L206 HydrophobicContact CG2-CD2 3.91Å; T118-V207 PolarHBondContact N-O 2.82Å; T118-C208 WeakPolarHBondContact OG1-CA 3.2Å; T118-C208 WeakPolarHBondContact OG1-CB 3.36Å; T118-C208 PolarHBondContact OG1-SG 3.31Å; T118-V209 PolarHBondContact O-N 3.32Å
119	V	98.9	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139	178.5	63.6	0	0	0	0	110.2	L129 F132 Y149 V150 F151 V211	V119-L129 HydrophobicContact CG1-CD2 4.39Å; V119-F132 HydrophobicContact CB-CE1 3.97Å; V119-F132 HydrophobicContact CB-CZ 3.98Å; V119-F132 HydrophobicContact CG1-CD1 4.48Å; V119-F132 HydrophobicContact CG1-CE1 3.91Å; V119-F132 HydrophobicContact CG1-CZ 4.42Å; V119-F132 HydrophobicContact CG2-CD1 4.34Å; V119-F132 HydrophobicContact CG2-CE1 3.96Å; V119-F132 HydrophobicContact CG2-CE2 4.18Å; V119-F132 HydrophobicContact CG2-CZ 3.86Å; V119-Y149 PolarHBondContact N-O 3.27Å; V119-V150 HydrophobicContact CG1-CB 4.49Å; V119-V150 HydrophobicContact CG1-CG2 3.95Å; V119-F151 PolarHBondContact O-N 3.1Å; V119-V211 HydrophobicContact CG2-CB 3.35Å; V119-V211 HydrophobicContact CG2-CG2 3.48Å; V119-V211 VanDerWaalsContact CG2-CG2 3.48Å
120	F	98.8	Very high	98.3	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120	-178.8	-74.1	-101.2	0	0	0	110.7	F151 R187 M190 I191 V211	F120-F151 HydrophobicContact CD1-CB 3.34Å; F120-F151 HydrophobicContact CD1-CD1 4.47Å; F120-F151 AromaticContact CD1-CG 3.92Å; F120-F151 HydrophobicContact CD1-CG 3.92Å; F120-F151 HydrophobicContact CD2-CB 4.32Å; F120-F151 HydrophobicContact CD2-CD2 4.27Å; F120-F151 HydrophobicContact CD2-CG 4.46Å; F120-F151 HydrophobicContact CE1-CB 3.38Å; F120-F151 AromaticContact CE1-CD1 3.65Å; F120-F151 HydrophobicContact CE1-CD1 3.65Å; F120-F151 HydrophobicContact CE1-CD2 4.06Å; F120-F151 HydrophobicContact CE1-CE1 4.37Å; F120-F151 AromaticContact CE1-CG 3.44Å; F120-F151 HydrophobicContact CE1-CG 3.44Å; F120-F151 VanDerWaalsContact CE1-CG 3.44Å; F120-F151 HydrophobicContact CE2-CB 4.36Å; F120-F151 AromaticContact CE2-CD2 3.79Å; F120-F151 HydrophobicContact CE2-CD2 3.79Å; F120-F151 HydrophobicContact CE2-CE2 4.19Å; F120-F151 HydrophobicContact CE2-CG 4.05Å; F120-F151 HydrophobicContact CG-CB 3.83Å; F120-F151 HydrophobicContact CG-CG 4.4Å; F120-F151 HydrophobicContact CZ-CB 3.93Å; F120-F151 AromaticContact CZ-CD1 3.77Å; F120-F151 HydrophobicContact CZ-CD1 3.77Å; F120-F151 AromaticContact CZ-CD2 3.67Å; F120-F151 HydrophobicContact CZ-CD2 3.67Å; F120-F151 HydrophobicContact CZ-CE1 4.1Å; F120-F151 HydrophobicContact CZ-CE2 4.03Å; F120-F151 AromaticContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CZ 4.22Å; F120-R187 HydrophobicContact CB-CG 4.29Å; F120-R187 HydrophobicContact CD1-CG 3.84Å; F120-R187 HydrophobicContact CD2-CB 4.1Å; F120-R187 HydrophobicContact CD2-CG 3.66Å; F120-R187 HydrophobicContact CE1-CB 4.35Å; F120-R187 HydrophobicContact CE1-CG 4.06Å; F120-R187 HydrophobicContact CE2-CB 3.83Å; F120-R187 HydrophobicContact CE2-CG 3.89Å; F120-R187 HydrophobicContact CG-CB 4.48Å; F120-R187 HydrophobicContact CG-CG 3.64Å; F120-R187 HydrophobicContact CZ-CB 3.97Å; F120-R187 HydrophobicContact CZ-CG 4.09Å; F120-M190 HydrophobicContact CD1-SD 4.38Å; F120-M190 HydrophobicContact CE1-CB 3.92Å; F120-M190 HydrophobicContact CE1-CG 4.38Å; F120-M190 HydrophobicContact CE1-SD 3.58Å; F120-M190 VanDerWaalsContact CE1-SD 3.58Å; F120-M190 HydrophobicContact CZ-CB 3.87Å; F120-M190 HydrophobicContact CZ-SD 4.47Å; F120-I191 HydrophobicContact CE2-CD1 3.96Å; F120-I191 HydrophobicContact CE2-CG1 3.81Å; F120-I191 HydrophobicContact CZ-CG1 4.01Å; F120-V211 WeakPolarHBondContact O-CB 3.45Å; F120-V211 VanDerWaalsContact O-CG1 3.22Å; F120-V211 WeakPolarHBondContact O-CG1 3.35Å
121	A	98.6	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	80.7	178.9	0	0	0	0	0	109.6	V126 L129 F151 T152 V211	A121-V126 HydrophobicContact CB-CG1 4.24Å; A121-V126 WeakPolarHBondContact O-CG1 3.34Å; A121-L129 HydrophobicContact CB-CD1 3.53Å; A121-L129 HydrophobicContact CB-CD2 3.66Å; A121-L129 HydrophobicContact CB-CG 3.51Å; A121-F151 PolarHBondContact N-O 2.98Å; A121-T152 WeakPolarHBondContact O-CA 3.39Å; A121-T152 VanDerWaalsContact O-CB 3.29Å; A121-T152 WeakPolarHBondContact O-CB 3.36Å; A121-T152 PolarHBondContact O-OG1 3.28Å; A121-V211 HydrophobicContact CB-CG2 4.33Å
122	I	98.6	Very high	98.6	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.041	16%	0.159	C	C	.	.			trans	-104.6	135.4	-173.7	-57.4	-67.8	0	0	0	109.9	K124 Y125 D153 V174 A176 V183	I122-K124 PolarHBondContact O-N 2.89Å; I122-Y125 WeakPolarHBondContact O-CB 3.33Å; I122-Y125 PolarHBondContact O-N 3.03Å; I122-D153 WeakPolarHBondContact CA-OD1 3.32Å; I122-D153 HydrophobicContact CD1-CB 4.38Å; I122-V174 HydrophobicContact CD1-CG2 3.62Å; I122-A176 HydrophobicContact CG2-CB 3.81Å; I122-V183 HydrophobicContact CB-CG1 3.78Å; I122-V183 HydrophobicContact CG1-CG1 4.01Å; I122-V183 HydrophobicContact CG2-CG1 3.97Å; I122-V183 HydrophobicContact CG2-CG2 3.99Å
123	K	98	Very high	98.7	Very high	55 Å²	55	25.3 Å²	25.3	24%	0.239	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	55.5	-129.1	-175.2	-54.5	169.9	-162.2	167.1	0	111.5	Y125 V126 D153 Q154 A176 Y177 K178	K123-Y125 PolarHBondContact O-N 2.76Å; K123-Y125 VanDerWaalsContact O-N 3.09Å; K123-V126 WeakPolarHBondContact O-CG2 3.16Å; K123-V126 PolarHBondContact O-N 2.7Å; K123-D153 PolarHBondContact N-OD1 2.82Å; K123-D153 PolarHBondContact N-OD2 3.49Å; K123-Q154 PolarHBondContact O-NE2 2.71Å; K123-A176 HydrophobicContact CG-CB 4.25Å; K123-Y177 WeakPolarHBondContact CE-O 3.41Å; K123-Y177 PolarHBondContact NZ-O 3.03Å; K123-K178 PolarHBondContact NZ-O 2.55Å
124	K	98.4	Very high	98.7	Very high	84 Å²	84	28.3 Å²	28.3	37%	0.365	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-63.8	-14.1	-178	-63.4	-178.1	175.7	177.8	0	113.7	I122 V126 A127 A349 V350 N352 P353	I122-K124 PolarHBondContact O-N 2.89Å; K124-V126 PolarHBondContact O-N 3.44Å; K124-A127 WeakPolarHBondContact O-CB 3.4Å; K124-A127 PolarHBondContact O-N 3.38Å; K124-A349 WeakPolarHBondContact CD-O 3.42Å; K124-A349 PolarHBondContact NZ-O 3.37Å; K124-A349 VanDerWaalsContact NZ-O 3.13Å; K124-V350 HydrophobicContact CB-CG2 4.08Å; K124-N352 VanDerWaalsContact CE-O 3.24Å; K124-N352 WeakPolarHBondContact CE-O 3.34Å; K124-N352 PolarHBondContact NZ-O 2.76Å; K124-P353 VanDerWaalsContact CE-OXT 3.28Å; K124-P353 WeakPolarHBondContact CE-OXT 3.48Å; K124-P353 PolarHBondContact NZ-OXT 2.77Å
125	Y	98.4	Very high	98.7	Very high	37 Å²	37	28.1 Å²	28.1	15%	0.145	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-70.6	-11.1	179.5	-77.4	-104.6	0	0	0	113.7	I122 K123 A127 F128 V211 D212 V350 R351	I122-Y125 WeakPolarHBondContact O-CB 3.33Å; I122-Y125 PolarHBondContact O-N 3.03Å; K123-Y125 PolarHBondContact O-N 2.76Å; K123-Y125 VanDerWaalsContact O-N 3.09Å; Y125-A127 PolarHBondContact O-N 3.02Å; Y125-A127 VanDerWaalsContact O-N 3.15Å; Y125-F128 AromaticContact CD1-CD2 3.76Å; Y125-F128 HydrophobicContact CD1-CD2 3.76Å; Y125-F128 AromaticContact CD1-CE2 3.67Å; Y125-F128 HydrophobicContact CD1-CE2 3.67Å; Y125-F128 HydrophobicContact CE1-CE2 4.07Å; Y125-F128 HydrophobicContact CG-CD2 4.22Å; Y125-F128 HydrophobicContact CG-CE2 4.15Å; Y125-F128 WeakPolarHBondContact O-CD2 3.3Å; Y125-F128 PolarHBondContact O-N 3.37Å; Y125-F128 VanDerWaalsContact O-N 3.13Å; Y125-V211 HydrophobicContact CD1-CG1 3.75Å; Y125-V211 HydrophobicContact CG-CG1 4.36Å; Y125-D212 HydrophobicContact CD1-CB 4.34Å; Y125-D212 HydrophobicContact CE1-CB 4.16Å; Y125-V350 HydrophobicContact CD2-CG2 4.11Å; Y125-V350 HydrophobicContact CE2-CG1 4.03Å; Y125-V350 HydrophobicContact CE2-CG2 3.94Å; Y125-R351 HydrophobicContact CE2-CG 4.29Å
126	V	98.5	Very high	98.7	Very high	25 Å²	25	28.1 Å²	28.1	15%	0.152	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-57	-25.3	168.5	-61.2	0	0	0	0	112.9	A121 K123 K124 F128 L129 Q154 A157	A121-V126 HydrophobicContact CB-CG1 4.24Å; A121-V126 WeakPolarHBondContact O-CG1 3.34Å; K123-V126 WeakPolarHBondContact O-CG2 3.16Å; K123-V126 PolarHBondContact O-N 2.7Å; K124-V126 PolarHBondContact O-N 3.44Å; V126-F128 PolarHBondContact O-N 3.42Å; V126-L129 HydrophobicContact CB-CD1 4.37Å; V126-L129 WeakPolarHBondContact O-CB 3.48Å; V126-L129 PolarHBondContact O-N 2.76Å; V126-Q154 HydrophobicContact CG1-CB 4.34Å; V126-A157 HydrophobicContact CB-CB 4.11Å; V126-A157 HydrophobicContact CG1-CB 4.18Å; V126-A157 HydrophobicContact CG2-CB 4.05Å
127	A	98.4	Very high	98.7	Very high	80 Å²	80	29.8 Å²	29.8	66%	0.661	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-61.4	-24.8	177.2	0	0	0	0	0	113.7	K124 Y125	K124-A127 WeakPolarHBondContact O-CB 3.4Å; K124-A127 PolarHBondContact O-N 3.38Å; Y125-A127 PolarHBondContact O-N 3.02Å; Y125-A127 VanDerWaalsContact O-N 3.15Å
128	F	98.7	Very high	98.7	Very high	26 Å²	26	36.8 Å²	36.8	11%	0.114	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-85.3	-18.9	-179.1	-59.6	-70.3	0	0	0	113.5	Y125 V126 K130 L131 F132 V211 D212 V343 K345 V350	Y125-F128 AromaticContact CD1-CD2 3.76Å; Y125-F128 HydrophobicContact CD1-CD2 3.76Å; Y125-F128 AromaticContact CD1-CE2 3.67Å; Y125-F128 HydrophobicContact CD1-CE2 3.67Å; Y125-F128 HydrophobicContact CE1-CE2 4.07Å; Y125-F128 HydrophobicContact CG-CD2 4.22Å; Y125-F128 HydrophobicContact CG-CE2 4.15Å; Y125-F128 WeakPolarHBondContact O-CD2 3.3Å; Y125-F128 PolarHBondContact O-N 3.37Å; Y125-F128 VanDerWaalsContact O-N 3.13Å; V126-F128 PolarHBondContact O-N 3.42Å; F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 3Å; F128-L131 PolarHBondContact O-N 2.84Å; F128-F132 WeakPolarHBondContact O-CB 3.4Å; F128-F132 PolarHBondContact O-N 3.46Å; F128-V211 HydrophobicContact CB-CG1 4.28Å; F128-V211 HydrophobicContact CB-CG2 4.05Å; F128-V211 WeakPolarHBondContact CB-O 3.5Å; F128-V211 HydrophobicContact CD2-CG1 4.25Å; F128-D212 HydrophobicContact CD1-CB 4.22Å; F128-D212 HydrophobicContact CD2-CB 3.88Å; F128-D212 HydrophobicContact CE1-CB 4.21Å; F128-D212 HydrophobicContact CE2-CB 3.87Å; F128-D212 HydrophobicContact CG-CB 4.07Å; F128-D212 HydrophobicContact CZ-CB 4.04Å; F128-V343 HydrophobicContact CD1-CB 4.35Å; F128-V343 HydrophobicContact CD1-CG1 4.13Å; F128-V343 HydrophobicContact CE1-CB 4.36Å; F128-V343 HydrophobicContact CE1-CG1 4.01Å; F128-K345 HydrophobicContact CE1-CB 4.45Å; F128-K345 HydrophobicContact CZ-CB 4.01Å; F128-K345 HydrophobicContact CZ-CD 4.25Å; F128-V350 HydrophobicContact CE2-CG2 3.85Å; F128-V350 HydrophobicContact CZ-CG2 4.16Å
129	L	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-38.5	-170.8	-79.2	172.5	0	0	0	113.5	V119 A121 V126 F132 L133 V150 V158 P159 V211	V119-L129 HydrophobicContact CG1-CD2 4.39Å; A121-L129 HydrophobicContact CB-CD1 3.53Å; A121-L129 HydrophobicContact CB-CD2 3.66Å; A121-L129 HydrophobicContact CB-CG 3.51Å; V126-L129 HydrophobicContact CB-CD1 4.37Å; V126-L129 WeakPolarHBondContact O-CB 3.48Å; V126-L129 PolarHBondContact O-N 2.76Å; L129-F132 PolarHBondContact O-N 3.34Å; L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.4Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 3.3Å; L129-V150 HydrophobicContact CD1-CG1 3.94Å; L129-V150 HydrophobicContact CD2-CG1 3.76Å; L129-V150 HydrophobicContact CD2-CG2 4.35Å; L129-V158 HydrophobicContact CD1-CB 4.49Å; L129-V158 HydrophobicContact CD1-CG1 4.43Å; L129-V158 HydrophobicContact CD1-CG2 4.15Å; L129-P159 HydrophobicContact CB-CG 3.83Å; L129-V211 HydrophobicContact CD2-CG2 3.79Å; L129-V211 HydrophobicContact CG-CG2 4.21Å
130	K	98.8	Very high	98.7	Very high	111 Å²	111	39 Å²	39	48%	0.483	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-52.3	-175.5	-174.2	178.2	-178.4	-65.2	0	110.6	F128 E134 P159	F128-K130 VanDerWaalsContact C-N 3.29Å; F128-K130 PolarHBondContact O-N 3Å; K130-E134 VanDerWaalsContact CE-OE1 3.25Å; K130-E134 WeakPolarHBondContact CE-OE1 3.25Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 IonicContact NZ-OE1 3.3Å; K130-E134 PolarHBondContact NZ-OE1 2.93Å; K130-E134 IonicContact NZ-OE2 3.44Å; K130-E134 PolarHBondContact NZ-OE2 3.1Å; K130-E134 VanDerWaalsContact O-CB 3.28Å; K130-E134 WeakPolarHBondContact O-CB 3.45Å; K130-E134 VanDerWaalsContact O-CG 3.23Å; K130-E134 WeakPolarHBondContact O-CG 3.38Å; K130-E134 PolarHBondContact O-N 2.77Å; K130-P159 HydrophobicContact CB-CB 4.15Å; K130-P159 HydrophobicContact CB-CG 4.01Å; K130-P159 HydrophobicContact CG-CB 4.43Å
131	L	98.8	Very high	98.7	Very high	67 Å²	67	38.2 Å²	38.2	35%	0.351	19%	0.189	S	C	.	.	H	α-helix	trans	-63.5	-44.1	178.6	-179.4	63.2	0	0	0	111.2	F128 L133 T135 E214 V343	F128-L131 PolarHBondContact O-N 2.84Å; L131-L133 PolarHBondContact O-N 2.74Å; L131-T135 HydrophobicContact CD1-CG2 3.91Å; L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 WeakPolarHBondContact O-CG2 3.42Å; L131-T135 PolarHBondContact O-N 3.15Å; L131-T135 PolarHBondContact O-OG1 2.95Å; L131-E214 HydrophobicContact CD2-CB 4.02Å; L131-E214 HydrophobicContact CG-CB 3.97Å; L131-V343 HydrophobicContact CD2-CG2 3.81Å
132	F	98.9	Very high	98.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56	-52.9	177.9	176.3	-88	0	0	0	111.8	L117 V119 F128 L129 T135 A136 V209 V211 F215 F340	L117-F132 HydrophobicContact CD2-CE1 3.99Å; L117-F132 HydrophobicContact CD2-CZ 3.82Å; L117-F132 HydrophobicContact CG-CZ 4.33Å; V119-F132 HydrophobicContact CB-CE1 3.97Å; V119-F132 HydrophobicContact CB-CZ 3.98Å; V119-F132 HydrophobicContact CG1-CD1 4.48Å; V119-F132 HydrophobicContact CG1-CE1 3.91Å; V119-F132 HydrophobicContact CG1-CZ 4.42Å; V119-F132 HydrophobicContact CG2-CD1 4.34Å; V119-F132 HydrophobicContact CG2-CE1 3.96Å; V119-F132 HydrophobicContact CG2-CE2 4.18Å; V119-F132 HydrophobicContact CG2-CZ 3.86Å; F128-F132 WeakPolarHBondContact O-CB 3.4Å; F128-F132 PolarHBondContact O-N 3.46Å; L129-F132 PolarHBondContact O-N 3.34Å; F132-T135 PolarHBondContact O-OG1 3.18Å; F132-T135 VanDerWaalsContact O-OG1 3.11Å; F132-A136 VanDerWaalsContact O-CB 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.47Å; F132-A136 PolarHBondContact O-N 3.28Å; F132-V209 HydrophobicContact CE2-CG2 3.62Å; F132-V209 HydrophobicContact CZ-CG2 3.5Å; F132-V211 HydrophobicContact CB-CG2 4.41Å; F132-V211 HydrophobicContact CG-CG2 4.39Å; F132-F215 HydrophobicContact CD2-CE2 4.23Å; F132-F215 AromaticContact CE2-CE2 3.82Å; F132-F215 HydrophobicContact CE2-CE2 3.82Å; F132-F215 HydrophobicContact CE2-CZ 4.37Å; F132-F215 HydrophobicContact CZ-CE2 4.03Å; F132-F215 HydrophobicContact CZ-CZ 4.46Å; F132-F340 HydrophobicContact CD2-CE2 4.24Å; F132-F340 HydrophobicContact CD2-CZ 4.48Å; F132-F340 AromaticContact CE2-CE2 3.94Å; F132-F340 HydrophobicContact CE2-CE2 3.94Å; F132-F340 AromaticContact CE2-CZ 3.94Å; F132-F340 HydrophobicContact CE2-CZ 3.94Å
133	L	98.9	Very high	98.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.9	-41.9	-177.2	-69.1	170.9	0	0	0	112.1	L129 L131 T135 A136 E137 Y148 P159 V161 L169	L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.4Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 3.3Å; L131-L133 PolarHBondContact O-N 2.74Å; L133-T135 VanDerWaalsContact C-N 3.3Å; L133-T135 PolarHBondContact O-N 2.88Å; L133-A136 PolarHBondContact O-N 2.85Å; L133-E137 PolarHBondContact O-N 3.11Å; L133-Y148 HydrophobicContact CD2-CD1 3.98Å; L133-Y148 HydrophobicContact CD2-CE1 4.32Å; L133-Y148 HydrophobicContact CD2-CG 4.18Å; L133-P159 HydrophobicContact CD1-CG 4.27Å; L133-V161 HydrophobicContact CB-CB 4.3Å; L133-V161 HydrophobicContact CB-CG1 4.22Å; L133-V161 HydrophobicContact CB-CG2 3.91Å; L133-V161 HydrophobicContact CD1-CG2 4.11Å; L133-L169 HydrophobicContact CD1-CD1 3.74Å; L133-L169 HydrophobicContact CD2-CD1 3.91Å; L133-L169 HydrophobicContact CG-CD1 4.49Å
134	E	98.9	Very high	98.7	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-35.3	178.8	-75.3	176.8	164	0	0	112.5	K130 V161	K130-E134 VanDerWaalsContact CE-OE1 3.25Å; K130-E134 WeakPolarHBondContact CE-OE1 3.25Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 IonicContact NZ-OE1 3.3Å; K130-E134 PolarHBondContact NZ-OE1 2.93Å; K130-E134 IonicContact NZ-OE2 3.44Å; K130-E134 PolarHBondContact NZ-OE2 3.1Å; K130-E134 VanDerWaalsContact O-CB 3.28Å; K130-E134 WeakPolarHBondContact O-CB 3.45Å; K130-E134 VanDerWaalsContact O-CG 3.23Å; K130-E134 WeakPolarHBondContact O-CG 3.38Å; K130-E134 PolarHBondContact O-N 2.77Å; E134-V161 HydrophobicContact CG-CG1 3.87Å; E134-V161 HydrophobicContact CG-CG2 4.31Å
135	T	98.9	Very high	98.7	Very high	12 Å²	12	44 Å²	44	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-78.9	-35	174.9	56	0	0	0	0	112.2	L131 F132 L133 E137 K138 H139 E214 F215	L131-T135 HydrophobicContact CD1-CG2 3.91Å; L131-T135 WeakPolarHBondContact O-CB 3.49Å; L131-T135 WeakPolarHBondContact O-CG2 3.42Å; L131-T135 PolarHBondContact O-N 3.15Å; L131-T135 PolarHBondContact O-OG1 2.95Å; F132-T135 PolarHBondContact O-OG1 3.18Å; F132-T135 VanDerWaalsContact O-OG1 3.11Å; L133-T135 VanDerWaalsContact C-N 3.3Å; L133-T135 PolarHBondContact O-N 2.88Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 3.36Å; T135-K138 PolarHBondContact O-N 2.92Å; T135-K138 VanDerWaalsContact O-N 3.09Å; T135-H139 PolarHBondContact O-CD2 3.46Å; T135-H139 PolarHBondContact O-N 3.29Å; T135-E214 HydrophobicContact CG2-CB 4.26Å; T135-F215 VanDerWaalsContact CB-O 3.23Å; T135-F215 WeakPolarHBondContact CB-O 3.44Å; T135-F215 WeakPolarHBondContact CG2-O 3.47Å; T135-F215 PolarHBondContact OG1-N 2.74Å
136	A	98.9	Very high	98.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-40.7	172.5	0	0	0	0	0	111.9	F132 L133 K138 H139 F140 Y148 F215	F132-A136 VanDerWaalsContact O-CB 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.47Å; F132-A136 PolarHBondContact O-N 3.28Å; L133-A136 PolarHBondContact O-N 2.85Å; A136-K138 PolarHBondContact O-N 3.5Å; A136-H139 PolarHBondContact O-N 3.4Å; A136-F140 HydrophobicContact CB-CB 4.11Å; A136-F140 WeakPolarHBondContact O-CA 3.5Å; A136-F140 VanDerWaalsContact O-CB 3.27Å; A136-F140 WeakPolarHBondContact O-CB 3.42Å; A136-F140 PolarHBondContact O-N 3.46Å; A136-Y148 HydrophobicContact CB-CE1 3.92Å; A136-F215 HydrophobicContact CB-CD2 3.78Å; A136-F215 HydrophobicContact CB-CE2 3.65Å; A136-F215 HydrophobicContact CB-CZ 4.45Å
137	E	98.8	Very high	98.8	Very high	34 Å²	34	41.3 Å²	41.3	16%	0.159	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-30.1	175.2	-78.7	-59.1	109.7	0	0	113.6	L133 T135 Y148 L163 G164 R167	L133-E137 PolarHBondContact O-N 3.11Å; T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 3.36Å; E137-Y148 WeakPolarHBondContact OE1-CE2 3.33Å; E137-Y148 VanDerWaalsContact OE1-CZ 3.24Å; E137-Y148 PolarHBondContact OE1-OH 3.35Å; E137-L163 HydrophobicContact CG-CD2 4.03Å; E137-L163 WeakPolarHBondContact OE2-CA 3.45Å; E137-G164 PolarHBondContact OE2-N 3.14Å; E137-R167 IonicContact OE1-CZ 3.81Å; E137-R167 IonicContact OE1-NE 2.93Å; E137-R167 PolarHBondContact OE1-NE 3.07Å; E137-R167 IonicContact OE1-NH2 3.95Å; E137-R167 WeakPolarHBondContact OE2-CD 3.47Å; E137-R167 IonicContact OE2-NE 2.76Å; E137-R167 PolarHBondContact OE2-NE 3.44Å
138	K	98.8	Very high	98.8	Very high	148 Å²	148	37.5 Å²	37.5	64%	0.643	19%	0.192	S	C	*	.	H	α-helix	trans	-84.4	-25.5	-179.2	-65.4	174.9	-175.4	176.6	0	113.5	T135 A136 V142	T135-K138 PolarHBondContact O-N 2.92Å; T135-K138 VanDerWaalsContact O-N 3.09Å; A136-K138 PolarHBondContact O-N 3.5Å; K138-V142 WeakPolarHBondContact O-CG2 2.98Å
139	H	98.9	Very high	98.8	Very high	47 Å²	47	36.2 Å²	36.2	22%	0.218	19%	0.186	C	C	.	.	H	α-helix	trans	-134.5	-24.1	-160.7	-65.3	-55	0	0	0	114.9	T135 A136 F215 D217 V219	T135-H139 PolarHBondContact O-CD2 3.46Å; T135-H139 PolarHBondContact O-N 3.29Å; A136-H139 PolarHBondContact O-N 3.4Å; H139-F215 HydrophobicContact CB-CB 3.7Å; H139-F215 HydrophobicContact CB-CG 4.46Å; H139-F215 PolarHBondContact CD2-O 2.88Å; H139-F215 VanDerWaalsContact CD2-O 3.31Å; H139-D217 WeakPolarHBondContact CB-O 3.49Å; H139-V219 PolarHBondContact O-N 3.25Å; H139-V219 VanDerWaalsContact O-O 3.13Å
140	F	98.9	Very high	98.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-93.3	112.7	-174.5	-177.9	-102.9	0	0	0	111.2	I115 L117 A136 V142 V146 R167 V207 F215 V219	I115-F140 HydrophobicContact CG2-CE1 4.2Å; I115-F140 HydrophobicContact CG2-CZ 3.83Å; L117-F140 HydrophobicContact CB-CE1 3.82Å; L117-F140 HydrophobicContact CB-CZ 4.06Å; L117-F140 HydrophobicContact CD1-CE1 4.41Å; L117-F140 HydrophobicContact CD1-CE2 4.18Å; L117-F140 HydrophobicContact CD1-CZ 3.95Å; L117-F140 HydrophobicContact CD2-CD1 3.96Å; L117-F140 HydrophobicContact CD2-CE1 3.97Å; L117-F140 HydrophobicContact CD2-CG 4.25Å; L117-F140 HydrophobicContact CD2-CZ 4.26Å; L117-F140 HydrophobicContact CG-CE1 4.29Å; L117-F140 HydrophobicContact CG-CZ 4.32Å; A136-F140 HydrophobicContact CB-CB 4.11Å; A136-F140 WeakPolarHBondContact O-CA 3.5Å; A136-F140 VanDerWaalsContact O-CB 3.27Å; A136-F140 WeakPolarHBondContact O-CB 3.42Å; A136-F140 PolarHBondContact O-N 3.46Å; F140-V142 PolarHBondContact O-N 3.48Å; F140-V142 VanDerWaalsContact O-N 3.11Å; F140-V146 HydrophobicContact CD1-CG1 4.14Å; F140-V146 HydrophobicContact CD1-CG2 4.25Å; F140-V146 HydrophobicContact CE1-CG1 3.99Å; F140-V146 HydrophobicContact CE1-CG2 4.18Å; F140-R167 PolarHBondContact O-NH1 2.92Å; F140-R167 PolarHBondContact O-NH2 2.94Å; F140-V207 HydrophobicContact CE2-CB 4.36Å; F140-V207 HydrophobicContact CE2-CG1 4.18Å; F140-V207 HydrophobicContact CE2-CG2 4.27Å; F140-V207 HydrophobicContact CZ-CB 4.12Å; F140-V207 HydrophobicContact CZ-CG1 4.42Å; F140-V207 HydrophobicContact CZ-CG2 4.06Å; F140-F215 HydrophobicContact CB-CD1 4.47Å; F140-F215 HydrophobicContact CB-CE1 4.19Å; F140-F215 HydrophobicContact CB-CZ 4.37Å; F140-F215 AromaticContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CZ 4.21Å; F140-F215 HydrophobicContact CG-CE1 4.44Å; F140-F215 HydrophobicContact CG-CZ 4.49Å; F140-V219 WeakPolarHBondContact CA-O 3.5Å; F140-V219 HydrophobicContact CD2-CB 4.39Å; F140-V219 HydrophobicContact CD2-CG1 4.01Å; F140-V219 HydrophobicContact CE2-CG1 4.36Å
141	M	98.8	Very high	98.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	52.6	37.8	171.5	-55.9	-68.8	174.2	0	0	112.9	I115 G143 H144 V146 R167 V219 G220 V221 I223 L224	I115-M141 HydrophobicContact CB-CG 4.3Å; I115-M141 HydrophobicContact CD1-CB 4.43Å; I115-M141 HydrophobicContact CD1-CG 4.36Å; I115-M141 HydrophobicContact CD1-SD 4.27Å; I115-M141 HydrophobicContact CG1-CG 4.21Å; I115-M141 HydrophobicContact CG1-SD 4.11Å; I115-M141 HydrophobicContact CG2-CE 4.3Å; I115-M141 HydrophobicContact CG2-CG 4.27Å; M141-G143 PolarHBondContact O-N 3.32Å; M141-H144 HydrophobicContact CB-CB 4.4Å; M141-H144 PolarHBondContact O-N 2.77Å; M141-V146 HydrophobicContact CB-CG2 3.65Å; M141-V146 HydrophobicContact CG-CG2 4.44Å; M141-R167 PolarHBondContact O-NH1 2.67Å; M141-V219 PolarHBondContact N-O 3.13Å; M141-G220 WeakPolarHBondContact CE-O 3.49Å; M141-V221 HydrophobicContact SD-CG1 3.99Å; M141-I223 HydrophobicContact CE-CD1 3.52Å; M141-I223 HydrophobicContact CE-CG1 3.65Å; M141-L224 HydrophobicContact CE-CD1 4.5Å; M141-L224 HydrophobicContact CE-CD2 3.71Å; M141-L224 HydrophobicContact CE-CG 4.04Å; M141-L224 HydrophobicContact SD-CD1 4.46Å
142	V	98.6	Very high	98.8	Very high	82 Å²	82	27.8 Å²	27.8	50%	0.497	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	132.5	-178.5	179.9	0	0	0	0	109.4	K138 F140 H144	K138-V142 WeakPolarHBondContact O-CG2 2.98Å; F140-V142 PolarHBondContact O-N 3.48Å; F140-V142 VanDerWaalsContact O-N 3.11Å; V142-H144 VanDerWaalsContact C-N 3.34Å
143	G	97.9	Very high	98.8	Very high	65 Å²	65	29.8 Å²	29.8	67%	0.67	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-1.1	-175	0	0	0	0	0	115	M141	M141-G143 PolarHBondContact O-N 3.32Å
144	H	98.8	Very high	98.8	Very high	15 Å²	15	33 Å²	33	7%	0.069	17%	0.173	C	C	.	.	S	Bend	trans	-115.5	164.9	174.4	-61.6	-93.2	0	0	0	111.3	N105 I115 M141 V142 V221	N105-H144 PolarHBondContact OD1-NE2 2.91Å; I115-H144 HydrophobicContact CD1-CB 3.85Å; M141-H144 HydrophobicContact CB-CB 4.4Å; M141-H144 PolarHBondContact O-N 2.77Å; V142-H144 VanDerWaalsContact C-N 3.34Å; H144-V221 VanDerWaalsContact CE1-CG1 3.43Å; H144-V221 WeakPolarHBondContact CE1-CG1 3.39Å; H144-V221 WeakPolarHBondContact NE2-CG1 3.41Å
145	R	98.9	Very high	98.8	Very high	107 Å²	107	32.2 Å²	32.2	40%	0.404	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.5	178	-60.7	171.3	57	76.9	3.3	109.4	N112 T114 I115 G166	N112-R145 VanDerWaalsContact OD1-CD 3.26Å; N112-R145 WeakPolarHBondContact OD1-CD 2.96Å; T114-R145 WeakPolarHBondContact CA-O 3.48Å; T114-R145 HydrophobicContact CG2-CB 3.89Å; T114-R145 WeakPolarHBondContact OG1-CD 3.41Å; T114-R145 PolarHBondContact OG1-NE 2.92Å; I115-R145 PolarHBondContact N-O 3.46Å; R145-G166 WeakPolarHBondContact CA-O 3.17Å
146	V	98.9	Very high	98.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.6	-178.2	174.2	0	0	0	0	111.4	I115 F140 M141 Y148 G166 R167 Q168	I115-V146 VanDerWaalsContact O-CA 3.32Å; I115-V146 WeakPolarHBondContact O-CA 3.41Å; F140-V146 HydrophobicContact CD1-CG1 4.14Å; F140-V146 HydrophobicContact CD1-CG2 4.25Å; F140-V146 HydrophobicContact CE1-CG1 3.99Å; F140-V146 HydrophobicContact CE1-CG2 4.18Å; M141-V146 HydrophobicContact CB-CG2 3.65Å; M141-V146 HydrophobicContact CG-CG2 4.44Å; V146-Y148 HydrophobicContact CG1-CD1 4.27Å; V146-Y148 HydrophobicContact CG1-CD2 4.19Å; V146-Y148 HydrophobicContact CG1-CE1 4Å; V146-Y148 HydrophobicContact CG1-CE2 3.92Å; V146-Y148 HydrophobicContact CG1-CG 4.38Å; V146-G166 PolarHBondContact N-O 3.49Å; V146-R167 HydrophobicContact CB-CG 4.28Å; V146-R167 VanDerWaalsContact O-CA 3.27Å; V146-R167 WeakPolarHBondContact O-CA 3.24Å; V146-Q168 PolarHBondContact O-N 3.29Å
147	H	98.9	Very high	98.7	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.1	170.8	-160.1	155.2	0	0	0	109.8	I115 G116 L117 Y149 Q168 S170 E202 V203	I115-H147 PolarHBondContact O-N 3.06Å; G116-H147 CarbonylContact C-O 3.5Å; G116-H147 VanDerWaalsContact CA-O 3.27Å; G116-H147 WeakPolarHBondContact CA-O 3.32Å; L117-H147 PolarHBondContact N-O 3.45Å; H147-Y149 HydrophobicContact CB-CE2 3.97Å; H147-Y149 AromaticContact CD2-CE1 3.58Å; H147-Y149 AromaticContact CD2-CZ 3.69Å; H147-Y149 AromaticContact CE1-CE1 3.56Å; H147-Y149 AromaticContact CE1-CZ 3.75Å; H147-Y149 AromaticContact CG-CE1 3.86Å; H147-Y149 AromaticContact CG-CE2 3.96Å; H147-Y149 AromaticContact CG-CZ 3.49Å; H147-Y149 VanDerWaalsContact CG-CZ 3.49Å; H147-Y149 AromaticContact ND1-CE1 3.89Å; H147-Y149 AromaticContact ND1-CZ 3.59Å; H147-Y149 PolarHBondContact ND1-OH 2.83Å; H147-Y149 AromaticContact NE2-CD1 3.97Å; H147-Y149 AromaticContact NE2-CE1 3.39Å; H147-Y149 WeakPolarHBondContact NE2-CE1 3.41Å; H147-Y149 AromaticContact NE2-CZ 3.85Å; H147-Y149 WeakPolarHBondContact O-CD2 3.34Å; H147-Q168 CarbonylContact C-O 3.56Å; H147-Q168 WeakPolarHBondContact CA-O 3.37Å; H147-Q168 HydrophobicContact CB-CG 4.2Å; H147-Q168 PolarHBondContact CE1-NE2 3.36Å; H147-Q168 PolarHBondContact ND1-NE2 3.36Å; H147-S170 WeakPolarHBondContact NE2-CB 3.31Å; H147-S170 PolarHBondContact NE2-OG 3.31Å; H147-E202 IonicContact CE1-OE2 2.62Å; H147-E202 PolarHBondContact CE1-OE2 2.84Å; H147-E202 IonicContact ND1-OE2 2.64Å; H147-V203 HydrophobicContact CB-CG1 3.94Å
148	Y	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.5	173.1	-58.5	-79.1	0	0	0	110.8	L117 L133 A136 E137 V146 L163 R167 Q168 L169 S170	L117-Y148 HydrophobicContact CB-CD1 4.04Å; L117-Y148 HydrophobicContact CB-CE1 4.49Å; L117-Y148 HydrophobicContact CD2-CD1 3.83Å; L117-Y148 HydrophobicContact CD2-CE1 3.73Å; L117-Y148 HydrophobicContact CG-CD1 4.36Å; L133-Y148 HydrophobicContact CD2-CD1 3.98Å; L133-Y148 HydrophobicContact CD2-CE1 4.32Å; L133-Y148 HydrophobicContact CD2-CG 4.18Å; A136-Y148 HydrophobicContact CB-CE1 3.92Å; E137-Y148 WeakPolarHBondContact OE1-CE2 3.33Å; E137-Y148 VanDerWaalsContact OE1-CZ 3.24Å; E137-Y148 PolarHBondContact OE1-OH 3.35Å; V146-Y148 HydrophobicContact CG1-CD1 4.27Å; V146-Y148 HydrophobicContact CG1-CD2 4.19Å; V146-Y148 HydrophobicContact CG1-CE1 4Å; V146-Y148 HydrophobicContact CG1-CE2 3.92Å; V146-Y148 HydrophobicContact CG1-CG 4.38Å; Y148-L163 HydrophobicContact CD2-CD1 4.44Å; Y148-L163 HydrophobicContact CD2-CD2 4.33Å; Y148-L163 HydrophobicContact CE2-CD2 3.96Å; Y148-R167 PolarHBondContact OH-NH2 2.93Å; Y148-Q168 WeakPolarHBondContact CD2-O 3.33Å; Y148-Q168 PolarHBondContact N-O 3.43Å; Y148-L169 HydrophobicContact CD2-CB 4.39Å; Y148-L169 CarbonylContact O-C 3.59Å; Y148-L169 WeakPolarHBondContact O-CA 3.27Å; Y148-S170 PolarHBondContact O-N 3.07Å
149	Y	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	101.1	174.1	-60	-75.6	0	0	0	109.3	L117 T118 V119 H147 L172 F199 E202 V203 L206	L117-Y149 PolarHBondContact O-N 3.07Å; T118-Y149 WeakPolarHBondContact CA-O 3.37Å; T118-Y149 HydrophobicContact CG2-CD2 4.27Å; V119-Y149 PolarHBondContact N-O 3.27Å; H147-Y149 HydrophobicContact CB-CE2 3.97Å; H147-Y149 AromaticContact CD2-CE1 3.58Å; H147-Y149 AromaticContact CD2-CZ 3.69Å; H147-Y149 AromaticContact CE1-CE1 3.56Å; H147-Y149 AromaticContact CE1-CZ 3.75Å; H147-Y149 AromaticContact CG-CE1 3.86Å; H147-Y149 AromaticContact CG-CE2 3.96Å; H147-Y149 AromaticContact CG-CZ 3.49Å; H147-Y149 VanDerWaalsContact CG-CZ 3.49Å; H147-Y149 AromaticContact ND1-CE1 3.89Å; H147-Y149 AromaticContact ND1-CZ 3.59Å; H147-Y149 PolarHBondContact ND1-OH 2.83Å; H147-Y149 AromaticContact NE2-CD1 3.97Å; H147-Y149 AromaticContact NE2-CE1 3.39Å; H147-Y149 WeakPolarHBondContact NE2-CE1 3.41Å; H147-Y149 AromaticContact NE2-CZ 3.85Å; H147-Y149 WeakPolarHBondContact O-CD2 3.34Å; Y149-L172 HydrophobicContact CD1-CD1 4.04Å; Y149-L172 HydrophobicContact CG-CD1 4.4Å; Y149-F199 HydrophobicContact CD1-CD1 4.32Å; Y149-F199 AromaticContact CD1-CE1 3.61Å; Y149-F199 HydrophobicContact CD1-CE1 3.61Å; Y149-F199 HydrophobicContact CD2-CD1 4.05Å; Y149-F199 AromaticContact CD2-CE1 3.56Å; Y149-F199 HydrophobicContact CD2-CE1 3.56Å; Y149-F199 HydrophobicContact CD2-CZ 4.29Å; Y149-F199 AromaticContact CE1-CD1 3.94Å; Y149-F199 HydrophobicContact CE1-CD1 3.94Å; Y149-F199 AromaticContact CE1-CE1 3.69Å; Y149-F199 HydrophobicContact CE1-CE1 3.69Å; Y149-F199 AromaticContact CE2-CD1 3.64Å; Y149-F199 HydrophobicContact CE2-CD1 3.64Å; Y149-F199 AromaticContact CE2-CE1 3.64Å; Y149-F199 HydrophobicContact CE2-CE1 3.64Å; Y149-F199 HydrophobicContact CG-CD1 4.34Å; Y149-F199 AromaticContact CG-CE1 3.51Å; Y149-F199 HydrophobicContact CG-CE1 3.51Å; Y149-F199 HydrophobicContact CG-CZ 4.21Å; Y149-F199 AromaticContact CZ-CD1 3.57Å; Y149-F199 AromaticContact CZ-CE1 3.69Å; Y149-E202 WeakPolarHBondContact CE1-OE2 3.27Å; Y149-E202 VanDerWaalsContact CZ-OE2 3.27Å; Y149-E202 VanDerWaalsContact OH-CB 3.26Å; Y149-E202 WeakPolarHBondContact OH-CB 3.08Å; Y149-E202 PolarHBondContact OH-OE2 3.08Å; Y149-V203 HydrophobicContact CE2-CG1 4.11Å; Y149-V203 WeakPolarHBondContact OH-CG1 3.37Å; Y149-L206 HydrophobicContact CE2-CD2 4.49Å
150	V	98.9	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	105.4	-179.5	179.8	0	0	0	0	108.9	V119 L129 V158 L169 S170 L172	V119-V150 HydrophobicContact CG1-CB 4.49Å; V119-V150 HydrophobicContact CG1-CG2 3.95Å; L129-V150 HydrophobicContact CD1-CG1 3.94Å; L129-V150 HydrophobicContact CD2-CG1 3.76Å; L129-V150 HydrophobicContact CD2-CG2 4.35Å; V150-V158 HydrophobicContact CG1-CG1 4.37Å; V150-V158 HydrophobicContact CG1-CG2 3.99Å; V150-L169 HydrophobicContact CG2-CD1 3.9Å; V150-L169 HydrophobicContact CG2-CD2 4.22Å; V150-L169 HydrophobicContact CG2-CG 4.09Å; V150-S170 PolarHBondContact N-O 2.63Å; V150-L172 PolarHBondContact O-N 3.1Å
151	F	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122	173.1	-69.5	-98	0	0	0	109.8	T118 V119 F120 A121 L172 V174 M190 F194 F199	T118-F151 HydrophobicContact CG2-CE2 4.13Å; V119-F151 PolarHBondContact O-N 3.1Å; F120-F151 HydrophobicContact CD1-CB 3.34Å; F120-F151 HydrophobicContact CD1-CD1 4.47Å; F120-F151 AromaticContact CD1-CG 3.92Å; F120-F151 HydrophobicContact CD1-CG 3.92Å; F120-F151 HydrophobicContact CD2-CB 4.32Å; F120-F151 HydrophobicContact CD2-CD2 4.27Å; F120-F151 HydrophobicContact CD2-CG 4.46Å; F120-F151 HydrophobicContact CE1-CB 3.38Å; F120-F151 AromaticContact CE1-CD1 3.65Å; F120-F151 HydrophobicContact CE1-CD1 3.65Å; F120-F151 HydrophobicContact CE1-CD2 4.06Å; F120-F151 HydrophobicContact CE1-CE1 4.37Å; F120-F151 AromaticContact CE1-CG 3.44Å; F120-F151 HydrophobicContact CE1-CG 3.44Å; F120-F151 VanDerWaalsContact CE1-CG 3.44Å; F120-F151 HydrophobicContact CE2-CB 4.36Å; F120-F151 AromaticContact CE2-CD2 3.79Å; F120-F151 HydrophobicContact CE2-CD2 3.79Å; F120-F151 HydrophobicContact CE2-CE2 4.19Å; F120-F151 HydrophobicContact CE2-CG 4.05Å; F120-F151 HydrophobicContact CG-CB 3.83Å; F120-F151 HydrophobicContact CG-CG 4.4Å; F120-F151 HydrophobicContact CZ-CB 3.93Å; F120-F151 AromaticContact CZ-CD1 3.77Å; F120-F151 HydrophobicContact CZ-CD1 3.77Å; F120-F151 AromaticContact CZ-CD2 3.67Å; F120-F151 HydrophobicContact CZ-CD2 3.67Å; F120-F151 HydrophobicContact CZ-CE1 4.1Å; F120-F151 HydrophobicContact CZ-CE2 4.03Å; F120-F151 AromaticContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CZ 4.22Å; A121-F151 PolarHBondContact N-O 2.98Å; F151-L172 WeakPolarHBondContact CA-O 3.19Å; F151-L172 HydrophobicContact CD1-CB 3.97Å; F151-L172 HydrophobicContact CD1-CD1 4.17Å; F151-L172 HydrophobicContact CD2-CD1 4.22Å; F151-L172 HydrophobicContact CE1-CB 4.19Å; F151-L172 HydrophobicContact CE1-CD1 3.69Å; F151-L172 HydrophobicContact CE2-CD1 3.72Å; F151-L172 HydrophobicContact CG-CB 4.32Å; F151-L172 HydrophobicContact CG-CD1 4.44Å; F151-L172 HydrophobicContact CZ-CD1 3.44Å; F151-L172 VanDerWaalsContact CZ-CD1 3.44Å; F151-V174 HydrophobicContact CB-CG2 4.19Å; F151-V174 HydrophobicContact CD1-CG1 3.81Å; F151-V174 HydrophobicContact CE1-CG1 4.48Å; F151-M190 HydrophobicContact CD1-CB 4.45Å; F151-M190 HydrophobicContact CE1-CB 4.19Å; F151-F194 HydrophobicContact CD1-CE2 4.49Å; F151-F194 AromaticContact CE1-CD2 3.48Å; F151-F194 HydrophobicContact CE1-CD2 3.48Å; F151-F194 VanDerWaalsContact CE1-CD2 3.48Å; F151-F194 AromaticContact CE1-CE2 3.66Å; F151-F194 HydrophobicContact CE1-CE2 3.66Å; F151-F194 AromaticContact CE1-CG 3.95Å; F151-F194 HydrophobicContact CE1-CG 3.95Å; F151-F194 HydrophobicContact CE1-CZ 4.32Å; F151-F194 HydrophobicContact CZ-CB 4.11Å; F151-F194 AromaticContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CE2 4.48Å; F151-F194 AromaticContact CZ-CG 3.96Å; F151-F194 HydrophobicContact CZ-CG 3.96Å; F151-F199 HydrophobicContact CE2-CZ 4.14Å; F151-F199 AromaticContact CZ-CZ 3.87Å; F151-F199 HydrophobicContact CZ-CZ 3.87Å
152	T	98.8	Very high	98.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.7	-177.3	-171.1	0	0	0	0	112.7	A121 Q154 P155 V158 V171 L172 E173 V174	A121-T152 WeakPolarHBondContact O-CA 3.39Å; A121-T152 VanDerWaalsContact O-CB 3.29Å; A121-T152 WeakPolarHBondContact O-CB 3.36Å; A121-T152 PolarHBondContact O-OG1 3.28Å; T152-Q154 VanDerWaalsContact C-N 3.33Å; T152-Q154 PolarHBondContact OG1-N 3.14Å; T152-Q154 VanDerWaalsContact OG1-N 3.08Å; T152-P155 HydrophobicContact CG2-CG 4.43Å; T152-V158 HydrophobicContact CG2-CG2 3.8Å; T152-V171 HydrophobicContact CG2-CG1 3.71Å; T152-L172 PolarHBondContact N-O 3.49Å; T152-E173 CarbonylContact O-C 3.45Å; T152-E173 VanDerWaalsContact O-CA 3.31Å; T152-E173 WeakPolarHBondContact O-CA 3.39Å; T152-V174 PolarHBondContact O-N 3.01Å
153	D	98.7	Very high	98.5	Very high	42 Å²	42	48.7 Å²	48.7	23%	0.225	28%	0.277	C	S	.	.	S	Bend	trans	-88.6	-3.8	167.7	64.2	-38.2	0	0	0	112.4	I122 K123 V174 A176	I122-D153 WeakPolarHBondContact CA-OD1 3.32Å; I122-D153 HydrophobicContact CD1-CB 4.38Å; K123-D153 PolarHBondContact N-OD1 2.82Å; K123-D153 PolarHBondContact N-OD2 3.49Å; D153-V174 VanDerWaalsContact CA-O 3.31Å; D153-V174 WeakPolarHBondContact CA-O 3.31Å; D153-A176 HydrophobicContact CB-CB 3.83Å; D153-A176 WeakPolarHBondContact OD2-CB 3.23Å
154	Q	98.6	Very high	98.5	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	26%	0.262	S	S	.	.			trans	-134.4	73.7	-176.1	-66.2	157.9	81.1	0	0	110.7	K123 V126 T152 A156 A157	K123-Q154 PolarHBondContact O-NE2 2.71Å; V126-Q154 HydrophobicContact CG1-CB 4.34Å; T152-Q154 VanDerWaalsContact C-N 3.33Å; T152-Q154 PolarHBondContact OG1-N 3.14Å; T152-Q154 VanDerWaalsContact OG1-N 3.08Å; Q154-A156 PolarHBondContact O-N 3.29Å; Q154-A156 VanDerWaalsContact O-N 3.12Å; Q154-A157 HydrophobicContact CB-CB 3.82Å; Q154-A157 WeakPolarHBondContact O-CB 3.26Å; Q154-A157 PolarHBondContact O-N 3.02Å
155	P	98.6	Very high	98.5	Very high	50 Å²	50	53.7 Å²	53.7	33%	0.325	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-54.4	-36.3	-176.9	-28	35.6	0	0	0	114.1	T152 A157 V158 V171 E173	T152-P155 HydrophobicContact CG2-CG 4.43Å; P155-A157 PolarHBondContact O-N 3.39Å; P155-V158 WeakPolarHBondContact O-CG2 3.42Å; P155-V158 PolarHBondContact O-N 2.68Å; P155-V171 HydrophobicContact CB-CG1 3.93Å; P155-V171 HydrophobicContact CG-CG1 4.48Å; P155-E173 HydrophobicContact CG-CB 3.91Å; P155-E173 HydrophobicContact CG-CG 3.76Å
156	A	98.5	Very high	98.4	Very high	108 Å²	108	50.7 Å²	50.7	89%	0.893	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.1	-17.8	178.5	0	0	0	0	0	114.1	Q154	Q154-A156 PolarHBondContact O-N 3.29Å; Q154-A156 VanDerWaalsContact O-N 3.12Å
157	A	98.4	Very high	98.4	Very high	42 Å²	42	51.9 Å²	51.9	35%	0.347	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-87	-6.9	178.3	0	0	0	0	0	113.1	V126 Q154 P155	V126-A157 HydrophobicContact CB-CB 4.11Å; V126-A157 HydrophobicContact CG1-CB 4.18Å; V126-A157 HydrophobicContact CG2-CB 4.05Å; Q154-A157 HydrophobicContact CB-CB 3.82Å; Q154-A157 WeakPolarHBondContact O-CB 3.26Å; Q154-A157 PolarHBondContact O-N 3.02Å; P155-A157 PolarHBondContact O-N 3.39Å
158	V	98.7	Very high	98.4	Very high	22 Å²	22	56.8 Å²	56.8	13%	0.133	33%	0.332	C	S	.	.	S	Bend	trans	-68.6	123.1	177.2	-178.8	0	0	0	0	109.3	L129 V150 T152 P155 L169 V171	L129-V158 HydrophobicContact CD1-CB 4.49Å; L129-V158 HydrophobicContact CD1-CG1 4.43Å; L129-V158 HydrophobicContact CD1-CG2 4.15Å; V150-V158 HydrophobicContact CG1-CG1 4.37Å; V150-V158 HydrophobicContact CG1-CG2 3.99Å; T152-V158 HydrophobicContact CG2-CG2 3.8Å; P155-V158 WeakPolarHBondContact O-CG2 3.42Å; P155-V158 PolarHBondContact O-N 2.68Å; V158-L169 HydrophobicContact CG1-CD2 4.4Å; V158-V171 HydrophobicContact CB-CG2 4.14Å; V158-V171 HydrophobicContact CG1-CG2 3.97Å; V158-V171 HydrophobicContact CG2-CG1 3.91Å; V158-V171 HydrophobicContact CG2-CG2 3.99Å
159	P	98.1	Very high	98.4	Very high	33 Å²	33	59.2 Å²	59.2	21%	0.214	35%	0.345	C	S	.	.			trans	-69.6	146.1	-175.4	28.6	-34.7	0	0	0	111.4	L129 K130 L133 V161	L129-P159 HydrophobicContact CB-CG 3.83Å; K130-P159 HydrophobicContact CB-CB 4.15Å; K130-P159 HydrophobicContact CB-CG 4.01Å; K130-P159 HydrophobicContact CG-CB 4.43Å; L133-P159 HydrophobicContact CD1-CG 4.27Å; P159-V161 HydrophobicContact CB-CG2 4.26Å; P159-V161 HydrophobicContact CG-CG2 4.16Å; P159-V161 PolarHBondContact O-N 2.91Å
160	R	97.2	Very high	98.4	Very high	255 Å²	255	60.2 Å²	60.2	96%	0.962	35%	0.352	S	S	*	.			trans	-77.4	104.5	168.3	-65.6	-177.6	-177.4	138.6	0.7	108.9
161	V	97.9	Very high	98.4	Very high	27 Å²	27	63 Å²	63	16%	0.164	37%	0.369	C	S	.	.			trans	-108.5	136.8	177	-179.9	0	0	0	0	109	L133 E134 P159 L163	L133-V161 HydrophobicContact CB-CB 4.3Å; L133-V161 HydrophobicContact CB-CG1 4.22Å; L133-V161 HydrophobicContact CB-CG2 3.91Å; L133-V161 HydrophobicContact CD1-CG2 4.11Å; E134-V161 HydrophobicContact CG-CG1 3.87Å; E134-V161 HydrophobicContact CG-CG2 4.31Å; P159-V161 HydrophobicContact CB-CG2 4.26Å; P159-V161 HydrophobicContact CG-CG2 4.16Å; P159-V161 PolarHBondContact O-N 2.91Å; V161-L163 HydrophobicContact CG1-CD2 4.44Å; V161-L163 PolarHBondContact O-N 3.16Å
162	T	98.3	Very high	98.4	Very high	132 Å²	132	63.4 Å²	63.4	81%	0.81	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-69.5	122.3	174.2	-58.2	0	0	0	0	109.4
163	L	98.6	Very high	98.4	Very high	50 Å²	50	70.4 Å²	70.4	26%	0.262	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-103.4	141	178.4	-52.8	-178.4	0	0	0	110.7	E137 Y148 V161 R167 L169	E137-L163 HydrophobicContact CG-CD2 4.03Å; E137-L163 WeakPolarHBondContact OE2-CA 3.45Å; Y148-L163 HydrophobicContact CD2-CD1 4.44Å; Y148-L163 HydrophobicContact CD2-CD2 4.33Å; Y148-L163 HydrophobicContact CE2-CD2 3.96Å; V161-L163 HydrophobicContact CG1-CD2 4.44Å; V161-L163 PolarHBondContact O-N 3.16Å; L163-R167 HydrophobicContact CB-CB 4.3Å; L163-L169 HydrophobicContact CD1-CB 3.84Å
164	G	98	Very high	98.4	Very high	34 Å²	34	69.4 Å²	69.4	35%	0.351	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-66	164.3	171.9	0	0	0	0	0	112.9	E137 R167	E137-G164 PolarHBondContact OE2-N 3.14Å; G164-R167 VanDerWaalsContact O-CB 3.32Å; G164-R167 WeakPolarHBondContact O-CB 3.48Å; G164-R167 PolarHBondContact O-N 2.91Å
165	T	97.8	Very high	98.3	Very high	152 Å²	152	73.8 Å²	73.8	93%	0.933	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	138.9	178	-56.5	0	0	0	0	111.9	R167	T165-R167 PolarHBondContact O-N 3.26Å
166	G	97.8	Very high	98.3	Very high	43 Å²	43	73.3 Å²	73.3	44%	0.443	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	11.6	-179.7	0	0	0	0	0	114	R145 V146	R145-G166 WeakPolarHBondContact CA-O 3.17Å; V146-G166 PolarHBondContact N-O 3.49Å
167	R	98.8	Very high	98.2	Very high	27 Å²	27	70 Å²	70	10%	0.102	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.8	179	-48.5	176.1	72.5	90	-11.2	109.9	E137 F140 M141 V146 Y148 L163 G164 T165	E137-R167 IonicContact OE1-CZ 3.81Å; E137-R167 IonicContact OE1-NE 2.93Å; E137-R167 PolarHBondContact OE1-NE 3.07Å; E137-R167 IonicContact OE1-NH2 3.95Å; E137-R167 WeakPolarHBondContact OE2-CD 3.47Å; E137-R167 IonicContact OE2-NE 2.76Å; E137-R167 PolarHBondContact OE2-NE 3.44Å; F140-R167 PolarHBondContact O-NH1 2.92Å; F140-R167 PolarHBondContact O-NH2 2.94Å; M141-R167 PolarHBondContact O-NH1 2.67Å; V146-R167 HydrophobicContact CB-CG 4.28Å; V146-R167 VanDerWaalsContact O-CA 3.27Å; V146-R167 WeakPolarHBondContact O-CA 3.24Å; Y148-R167 PolarHBondContact OH-NH2 2.93Å; L163-R167 HydrophobicContact CB-CB 4.3Å; G164-R167 VanDerWaalsContact O-CB 3.32Å; G164-R167 WeakPolarHBondContact O-CB 3.48Å; G164-R167 PolarHBondContact O-N 2.91Å; T165-R167 PolarHBondContact O-N 3.26Å
168	Q	98.7	Very high	98.1	Very high	106 Å²	106	77.4 Å²	77.4	50%	0.495	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.5	-178.7	65.8	-173.5	8.6	0	0	111.5	V146 H147 Y148	V146-Q168 PolarHBondContact O-N 3.29Å; H147-Q168 CarbonylContact C-O 3.56Å; H147-Q168 WeakPolarHBondContact CA-O 3.37Å; H147-Q168 HydrophobicContact CB-CG 4.2Å; H147-Q168 PolarHBondContact CE1-NE2 3.36Å; H147-Q168 PolarHBondContact ND1-NE2 3.36Å; Y148-Q168 WeakPolarHBondContact CD2-O 3.33Å; Y148-Q168 PolarHBondContact N-O 3.43Å
169	L	98.8	Very high	98	Very high	51 Å²	51	80.8 Å²	80.8	27%	0.267	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	180	-175.4	153	0	0	0	110	L133 Y148 V150 V158 L163 V171	L133-L169 HydrophobicContact CD1-CD1 3.74Å; L133-L169 HydrophobicContact CD2-CD1 3.91Å; L133-L169 HydrophobicContact CG-CD1 4.49Å; Y148-L169 HydrophobicContact CD2-CB 4.39Å; Y148-L169 CarbonylContact O-C 3.59Å; Y148-L169 WeakPolarHBondContact O-CA 3.27Å; V150-L169 HydrophobicContact CG2-CD1 3.9Å; V150-L169 HydrophobicContact CG2-CD2 4.22Å; V150-L169 HydrophobicContact CG2-CG 4.09Å; V158-L169 HydrophobicContact CG1-CD2 4.4Å; L163-L169 HydrophobicContact CD1-CB 3.84Å; L169-V171 HydrophobicContact CD2-CG2 3.68Å
170	S	98.8	Very high	98	Very high	22 Å²	22	82.5 Å²	82.5	15%	0.154	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.2	170.2	-70.5	0	0	0	0	110	H147 Y148 V150	H147-S170 WeakPolarHBondContact NE2-CB 3.31Å; H147-S170 PolarHBondContact NE2-OG 3.31Å; Y148-S170 PolarHBondContact O-N 3.07Å; V150-S170 PolarHBondContact N-O 2.63Å
171	V	98.8	Very high	98	Very high	58 Å²	58	72.1 Å²	72.1	35%	0.352	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.8	172.5	-176.7	0	0	0	0	108.3	T152 P155 V158 L169	T152-V171 HydrophobicContact CG2-CG1 3.71Å; P155-V171 HydrophobicContact CB-CG1 3.93Å; P155-V171 HydrophobicContact CG-CG1 4.48Å; V158-V171 HydrophobicContact CB-CG2 4.14Å; V158-V171 HydrophobicContact CG1-CG2 3.97Å; V158-V171 HydrophobicContact CG2-CG1 3.91Å; V158-V171 HydrophobicContact CG2-CG2 3.99Å; L169-V171 HydrophobicContact CD2-CG2 3.68Å
172	L	98.6	Very high	98	Very high	8 Å²	8	72.4 Å²	72.4	4%	0.042	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	103.9	-177.6	-54.5	-179	0	0	0	108.1	Y149 V150 F151 T152 V174 F194	Y149-L172 HydrophobicContact CD1-CD1 4.04Å; Y149-L172 HydrophobicContact CG-CD1 4.4Å; V150-L172 PolarHBondContact O-N 3.1Å; F151-L172 WeakPolarHBondContact CA-O 3.19Å; F151-L172 HydrophobicContact CD1-CB 3.97Å; F151-L172 HydrophobicContact CD1-CD1 4.17Å; F151-L172 HydrophobicContact CD2-CD1 4.22Å; F151-L172 HydrophobicContact CE1-CB 4.19Å; F151-L172 HydrophobicContact CE1-CD1 3.69Å; F151-L172 HydrophobicContact CE2-CD1 3.72Å; F151-L172 HydrophobicContact CG-CB 4.32Å; F151-L172 HydrophobicContact CG-CD1 4.44Å; F151-L172 HydrophobicContact CZ-CD1 3.44Å; F151-L172 VanDerWaalsContact CZ-CD1 3.44Å; T152-L172 PolarHBondContact N-O 3.49Å; L172-V174 PolarHBondContact O-N 3.22Å; L172-F194 HydrophobicContact CB-CE1 4.26Å; L172-F194 HydrophobicContact CB-CZ 4.12Å; L172-F194 HydrophobicContact CD1-CD1 3.66Å; L172-F194 HydrophobicContact CD1-CE1 3.66Å; L172-F194 HydrophobicContact CD1-CG 4.2Å; L172-F194 HydrophobicContact CD1-CZ 4.17Å; L172-F194 HydrophobicContact CD2-CD1 4.35Å; L172-F194 HydrophobicContact CD2-CE1 3.72Å; L172-F194 HydrophobicContact CD2-CZ 4.37Å; L172-F194 HydrophobicContact CG-CE1 4.08Å; L172-F194 HydrophobicContact CG-CZ 4.45Å
173	E	98.5	Very high	97.9	Very high	147 Å²	147	67.5 Å²	67.5	69%	0.687	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.5	-180	-170.2	174.1	-177.5	0	0	110.7	T152 P155	T152-E173 CarbonylContact O-C 3.45Å; T152-E173 VanDerWaalsContact O-CA 3.31Å; T152-E173 WeakPolarHBondContact O-CA 3.39Å; P155-E173 HydrophobicContact CG-CB 3.91Å; P155-E173 HydrophobicContact CG-CG 3.76Å
174	V	98.3	Very high	97.8	Very high	21 Å²	21	66.4 Å²	66.4	13%	0.127	34%	0.344	C	S	.	.			trans	-140.2	157.1	178.8	-66.5	0	0	0	0	111.1	I122 F151 T152 D153 L172 M190	I122-V174 HydrophobicContact CD1-CG2 3.62Å; F151-V174 HydrophobicContact CB-CG2 4.19Å; F151-V174 HydrophobicContact CD1-CG1 3.81Å; F151-V174 HydrophobicContact CE1-CG1 4.48Å; T152-V174 PolarHBondContact O-N 3.01Å; D153-V174 VanDerWaalsContact CA-O 3.31Å; D153-V174 WeakPolarHBondContact CA-O 3.31Å; L172-V174 PolarHBondContact O-N 3.22Å; V174-M190 HydrophobicContact CB-CE 4.09Å; V174-M190 HydrophobicContact CB-SD 3.82Å; V174-M190 HydrophobicContact CG1-SD 3.87Å; V174-M190 HydrophobicContact CG2-CE 4.4Å; V174-M190 HydrophobicContact CG2-SD 3.88Å
175	R	97.5	Very high	97.9	Very high	162 Å²	162	65.8 Å²	65.8	61%	0.611	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-66.2	144.4	178.4	66.1	178.6	-65.8	-177.3	4.4	112.3	Y177 M190	R175-Y177 HydrophobicContact CG-CD2 4.3Å; R175-Y177 HydrophobicContact CG-CE2 3.77Å; R175-M190 HydrophobicContact CG-CE 4.34Å
176	A	97.6	Very high	97.9	Very high	40 Å²	40	60 Å²	60	33%	0.331	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-86	125.5	165.8	0	0	0	0	0	111.4	I122 K123 D153	I122-A176 HydrophobicContact CG2-CB 3.81Å; K123-A176 HydrophobicContact CG-CB 4.25Å; D153-A176 HydrophobicContact CB-CB 3.83Å; D153-A176 WeakPolarHBondContact OD2-CB 3.23Å
177	Y	97.1	Very high	97.9	Very high	38 Å²	38	58.7 Å²	58.7	15%	0.149	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-83.5	150.2	168.5	-72.7	-94	0	0	0	110.9	K123 R175 D182 V183 R186 M190	K123-Y177 WeakPolarHBondContact CE-O 3.41Å; K123-Y177 PolarHBondContact NZ-O 3.03Å; R175-Y177 HydrophobicContact CG-CD2 4.3Å; R175-Y177 HydrophobicContact CG-CE2 3.77Å; Y177-D182 HydrophobicContact CD1-CB 4.04Å; Y177-D182 HydrophobicContact CG-CB 3.94Å; Y177-V183 WeakPolarHBondContact O-CG2 3.38Å; Y177-R186 HydrophobicContact CD1-CG 4.42Å; Y177-R186 HydrophobicContact CD2-CB 4.08Å; Y177-R186 HydrophobicContact CD2-CG 3.88Å; Y177-R186 HydrophobicContact CE1-CG 4.11Å; Y177-R186 HydrophobicContact CE2-CB 3.71Å; Y177-R186 HydrophobicContact CE2-CG 3.52Å; Y177-R186 HydrophobicContact CG-CG 4.31Å; Y177-M190 HydrophobicContact CD2-CE 4.43Å; Y177-M190 HydrophobicContact CE2-CE 3.81Å
178	K	96.2	Very high	97.9	Very high	197 Å²	197	57.5 Å²	57.5	86%	0.857	27%	0.271	S	S	*	.	S	Bend	trans	-66	-49.3	-175.1	-174.2	178.2	179.3	-179.7	0	112.6	K123	K123-K178 PolarHBondContact NZ-O 2.55Å
179	R	97.3	Very high	97.9	Very high	94 Å²	94	54.7 Å²	54.7	36%	0.355	26%	0.258	S	S	.	.	S	Bend	trans	-82.5	144	-178.9	-61.7	169.7	60.2	-129.1	5.2	110.5	Q181 D182 V183 E296	R179-Q181 PolarHBondContact O-N 3.47Å; R179-D182 HydrophobicContact CB-CB 4.38Å; R179-D182 WeakPolarHBondContact CB-OD2 3.48Å; R179-D182 WeakPolarHBondContact CD-OD2 3.15Å; R179-D182 IonicContact NH1-OD1 3.98Å; R179-D182 PolarHBondContact NH1-OD1 3.24Å; R179-D182 VanDerWaalsContact NH1-OD1 3.11Å; R179-D182 IonicContact NH1-OD2 3.75Å; R179-D182 PolarHBondContact O-N 2.93Å; R179-V183 WeakPolarHBondContact O-CG2 3.18Å; R179-V183 PolarHBondContact O-N 3.35Å; R179-V183 VanDerWaalsContact O-N 3.14Å; R179-E296 IonicContact CZ-OE1 3.71Å; R179-E296 IonicContact CZ-OE2 3.49Å; R179-E296 VanDerWaalsContact CZ-OE2 3.3Å; R179-E296 IonicContact NH1-OE1 3.89Å; R179-E296 IonicContact NH1-OE2 3.41Å; R179-E296 PolarHBondContact NH1-OE2 3.19Å; R179-E296 VanDerWaalsContact NH2-CD 3.26Å; R179-E296 IonicContact NH2-OE1 2.75Å; R179-E296 PolarHBondContact NH2-OE1 2.88Å; R179-E296 IonicContact NH2-OE2 2.7Å; R179-E296 PolarHBondContact NH2-OE2 3.21Å
180	W	96.7	Very high	97.9	Very high	68 Å²	68	53.3 Å²	53.3	26%	0.258	25%	0.25	S	S	.	.	H	α-helix	trans	-66.8	-30.5	176.7	70.2	-95.4	0	0	0	111.6	V183 S184 H300 R351	W180-V183 WeakPolarHBondContact O-CB 3.31Å; W180-V183 PolarHBondContact O-N 2.82Å; W180-S184 PolarHBondContact O-N 3.45Å; W180-H300 AromaticContact CH2-CE1 3.28Å; W180-H300 WeakPolarHBondContact CH2-CE1 3.46Å; W180-H300 AromaticContact CH2-ND1 3.68Å; W180-H300 AromaticContact CZ2-CE1 3.9Å; W180-H300 AromaticContact CZ3-CE1 3.95Å; W180-H300 AromaticContact CZ3-ND1 3.95Å; W180-R351 HydrophobicContact CB-CB 3.96Å; W180-R351 HydrophobicContact CB-CG 3.86Å; W180-R351 HydrophobicContact CG-CB 4.14Å; W180-R351 HydrophobicContact CG-CG 4Å
181	Q	97.8	Very high	97.9	Very high	38 Å²	38	52.4 Å²	52.4	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-52.2	172.7	-63.1	90.7	-31.2	0	0	110.7	R179 V183 S184 M185 H300	R179-Q181 PolarHBondContact O-N 3.47Å; Q181-V183 VanDerWaalsContact C-N 3.31Å; Q181-V183 PolarHBondContact O-N 2.76Å; Q181-S184 WeakPolarHBondContact O-CB 3.42Å; Q181-S184 PolarHBondContact O-N 2.75Å; Q181-S184 VanDerWaalsContact O-N 3.13Å; Q181-M185 HydrophobicContact CB-CE 4.22Å; Q181-M185 WeakPolarHBondContact O-CB 3.43Å; Q181-M185 VanDerWaalsContact O-CG 3.31Å; Q181-M185 WeakPolarHBondContact O-CG 3.44Å; Q181-M185 PolarHBondContact O-N 2.99Å; Q181-H300 VanDerWaalsContact CG-CD2 3.41Å; Q181-H300 WeakPolarHBondContact CG-CD2 3.33Å; Q181-H300 WeakPolarHBondContact CG-NE2 3.43Å
182	D	98	Very high	97.9	Very high	32 Å²	32	50 Å²	50	17%	0.171	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-37.8	178.7	-62.5	-36.2	0	0	0	111.5	Y177 R179 S184 M185 R186	Y177-D182 HydrophobicContact CD1-CB 4.04Å; Y177-D182 HydrophobicContact CG-CB 3.94Å; R179-D182 HydrophobicContact CB-CB 4.38Å; R179-D182 WeakPolarHBondContact CB-OD2 3.48Å; R179-D182 WeakPolarHBondContact CD-OD2 3.15Å; R179-D182 IonicContact NH1-OD1 3.98Å; R179-D182 PolarHBondContact NH1-OD1 3.24Å; R179-D182 VanDerWaalsContact NH1-OD1 3.11Å; R179-D182 IonicContact NH1-OD2 3.75Å; R179-D182 PolarHBondContact O-N 2.93Å; D182-S184 VanDerWaalsContact C-N 3.32Å; D182-S184 PolarHBondContact O-N 2.79Å; D182-M185 PolarHBondContact O-N 3.14Å; D182-M185 WeakPolarHBondContact OD1-CE 3.33Å; D182-R186 WeakPolarHBondContact O-CB 3.26Å; D182-R186 WeakPolarHBondContact O-CG 3.35Å; D182-R186 PolarHBondContact O-N 2.62Å
183	V	96.8	Very high	97.9	Very high	30 Å²	30	52.2 Å²	52.2	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173.8	171.9	0	0	0	0	111.1	I122 Y177 R179 W180 Q181 R187	I122-V183 HydrophobicContact CB-CG1 3.78Å; I122-V183 HydrophobicContact CG1-CG1 4.01Å; I122-V183 HydrophobicContact CG2-CG1 3.97Å; I122-V183 HydrophobicContact CG2-CG2 3.99Å; Y177-V183 WeakPolarHBondContact O-CG2 3.38Å; R179-V183 WeakPolarHBondContact O-CG2 3.18Å; R179-V183 PolarHBondContact O-N 3.35Å; R179-V183 VanDerWaalsContact O-N 3.14Å; W180-V183 WeakPolarHBondContact O-CB 3.31Å; W180-V183 PolarHBondContact O-N 2.82Å; Q181-V183 VanDerWaalsContact C-N 3.31Å; Q181-V183 PolarHBondContact O-N 2.76Å; V183-R187 WeakPolarHBondContact O-CG 3.46Å
184	S	97	Very high	97.9	Very high	27 Å²	27	46.5 Å²	46.5	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-67.7	-48.6	178.1	-165.7	0	0	0	0	112.2	W180 Q181 D182 R186 R187 D301	W180-S184 PolarHBondContact O-N 3.45Å; Q181-S184 WeakPolarHBondContact O-CB 3.42Å; Q181-S184 PolarHBondContact O-N 2.75Å; Q181-S184 VanDerWaalsContact O-N 3.13Å; D182-S184 VanDerWaalsContact C-N 3.32Å; D182-S184 PolarHBondContact O-N 2.79Å; S184-R186 PolarHBondContact O-N 3.47Å; S184-R187 WeakPolarHBondContact O-CB 3.3Å; S184-R187 VanDerWaalsContact O-CG 3.24Å; S184-R187 WeakPolarHBondContact O-CG 3.5Å; S184-R187 PolarHBondContact O-N 3.28Å; S184-R187 PolarHBondContact O-NE 2.75Å; S184-R187 VanDerWaalsContact O-NE 3.1Å; S184-D301 WeakPolarHBondContact CB-OD1 3.38Å; S184-D301 PolarHBondContact OG-OD1 2.88Å; S184-D301 PolarHBondContact OG-OD2 2.99Å
185	M	98.6	Very high	97.9	Very high	20 Å²	20	45.5 Å²	45.5	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-41.6	-177.5	-73.2	-169.8	-61	0	0	113	Q181 D182 R187 M188 M287 E296 H300	Q181-M185 HydrophobicContact CB-CE 4.22Å; Q181-M185 WeakPolarHBondContact O-CB 3.43Å; Q181-M185 VanDerWaalsContact O-CG 3.31Å; Q181-M185 WeakPolarHBondContact O-CG 3.44Å; Q181-M185 PolarHBondContact O-N 2.99Å; D182-M185 PolarHBondContact O-N 3.14Å; D182-M185 WeakPolarHBondContact OD1-CE 3.33Å; M185-R187 PolarHBondContact O-N 2.94Å; M185-M188 PolarHBondContact O-N 2.81Å; M185-M287 HydrophobicContact CB-SD 3.5Å; M185-M287 WeakPolarHBondContact CB-SD 3.48Å; M185-M287 HydrophobicContact CG-SD 3.6Å; M185-M287 VanDerWaalsContact CG-SD 3.6Å; M185-M287 WeakPolarHBondContact O-CE 3.44Å; M185-M287 HydrophobicContact SD-SD 3.95Å; M185-E296 HydrophobicContact CE-CG 4.23Å; M185-E296 WeakPolarHBondContact CE-OE2 3.25Å; M185-E296 HydrophobicContact SD-CG 4.15Å; M185-H300 HydrophobicContact CG-CB 3.71Å; M185-H300 HydrophobicContact SD-CB 4.09Å
186	R	98.4	Very high	97.6	Very high	31 Å²	31	43.5 Å²	43.5	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-72.9	-7.6	-175.3	-63.1	-76.3	174.1	-174.6	-5.2	113.3	Y177 D182 S184 M188 E189 M190 M288 Q291	Y177-R186 HydrophobicContact CD1-CG 4.42Å; Y177-R186 HydrophobicContact CD2-CB 4.08Å; Y177-R186 HydrophobicContact CD2-CG 3.88Å; Y177-R186 HydrophobicContact CE1-CG 4.11Å; Y177-R186 HydrophobicContact CE2-CB 3.71Å; Y177-R186 HydrophobicContact CE2-CG 3.52Å; Y177-R186 HydrophobicContact CG-CG 4.31Å; D182-R186 WeakPolarHBondContact O-CB 3.26Å; D182-R186 WeakPolarHBondContact O-CG 3.35Å; D182-R186 PolarHBondContact O-N 2.62Å; S184-R186 PolarHBondContact O-N 3.47Å; R186-M188 PolarHBondContact O-N 3.29Å; R186-E189 WeakPolarHBondContact CD-OE2 3.04Å; R186-E189 IonicContact CZ-OE2 3.58Å; R186-E189 IonicContact NE-OE2 3.94Å; R186-E189 IonicContact NH1-OE2 3.29Å; R186-E189 PolarHBondContact NH1-OE2 3.05Å; R186-E189 WeakPolarHBondContact O-CB 3.33Å; R186-E189 PolarHBondContact O-N 3.49Å; R186-M190 HydrophobicContact CB-CE 4.25Å; R186-M190 WeakPolarHBondContact O-CG 3.47Å; R186-M190 PolarHBondContact O-N 3.26Å; R186-M288 PolarHBondContact NH1-SD 3.32Å; R186-Q291 VanDerWaalsContact NH2-OE1 3.11Å
187	R	98.6	Very high	97.4	Very high	16 Å²	16	49.3 Å²	49.3	6%	0.06	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-38.2	169.7	-60.6	-174	-60.1	160.5	-2.4	111.7	F120 V183 S184 M185 E189 M190 I191 D210 G266 D301	F120-R187 HydrophobicContact CB-CG 4.29Å; F120-R187 HydrophobicContact CD1-CG 3.84Å; F120-R187 HydrophobicContact CD2-CB 4.1Å; F120-R187 HydrophobicContact CD2-CG 3.66Å; F120-R187 HydrophobicContact CE1-CB 4.35Å; F120-R187 HydrophobicContact CE1-CG 4.06Å; F120-R187 HydrophobicContact CE2-CB 3.83Å; F120-R187 HydrophobicContact CE2-CG 3.89Å; F120-R187 HydrophobicContact CG-CB 4.48Å; F120-R187 HydrophobicContact CG-CG 3.64Å; F120-R187 HydrophobicContact CZ-CB 3.97Å; F120-R187 HydrophobicContact CZ-CG 4.09Å; V183-R187 WeakPolarHBondContact O-CG 3.46Å; S184-R187 WeakPolarHBondContact O-CB 3.3Å; S184-R187 VanDerWaalsContact O-CG 3.24Å; S184-R187 WeakPolarHBondContact O-CG 3.5Å; S184-R187 PolarHBondContact O-N 3.28Å; S184-R187 PolarHBondContact O-NE 2.75Å; S184-R187 VanDerWaalsContact O-NE 3.1Å; M185-R187 PolarHBondContact O-N 2.94Å; R187-E189 PolarHBondContact O-N 3.47Å; R187-M190 PolarHBondContact O-N 2.81Å; R187-I191 HydrophobicContact CB-CD1 4.38Å; R187-I191 WeakPolarHBondContact O-CB 3.28Å; R187-I191 WeakPolarHBondContact O-CD1 3.45Å; R187-I191 WeakPolarHBondContact O-CG1 3.41Å; R187-I191 PolarHBondContact O-N 2.95Å; R187-D210 IonicContact CZ-OD1 3.54Å; R187-D210 IonicContact NH1-OD1 3.51Å; R187-D210 PolarHBondContact NH1-OD1 2.91Å; R187-D210 IonicContact NH2-OD1 2.77Å; R187-D210 PolarHBondContact NH2-OD1 3.41Å; R187-G266 PolarHBondContact NH2-O 3.42Å; R187-D301 IonicContact CZ-OD2 3.44Å; R187-D301 IonicContact NE-OD2 2.86Å; R187-D301 IonicContact NH2-OD2 2.64Å; R187-D301 PolarHBondContact NH2-OD2 3.37Å
188	M	98.6	Very high	97.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62	-45.4	179.1	-63.2	-65	179.7	0	0	111.5	M185 R186 S192 F269 L279 T280 C283 H284 M287 D301	M185-M188 PolarHBondContact O-N 2.81Å; R186-M188 PolarHBondContact O-N 3.29Å; M188-S192 WeakPolarHBondContact O-CB 3.42Å; M188-S192 PolarHBondContact O-N 3.16Å; M188-S192 PolarHBondContact O-OG 3.47Å; M188-F269 HydrophobicContact CE-CE1 4.04Å; M188-F269 HydrophobicContact CE-CZ 4.01Å; M188-F269 HydrophobicContact SD-CZ 4.09Å; M188-L279 HydrophobicContact CE-CD2 4.46Å; M188-L279 HydrophobicContact SD-CD2 4.11Å; M188-T280 WeakPolarHBondContact O-CB 3.38Å; M188-T280 HydrophobicContact SD-CG2 3.8Å; M188-C283 HydrophobicContact CB-CB 4.33Å; M188-C283 HydrophobicContact CG-CB 3.94Å; M188-C283 HydrophobicContact SD-CB 4.04Å; M188-H284 HydrophobicContact CB-CB 4.23Å; M188-M287 HydrophobicContact CB-CE 3.68Å; M188-M287 HydrophobicContact CG-CE 3.51Å; M188-D301 HydrophobicContact CE-CB 3.94Å; M188-D301 HydrophobicContact CG-CB 4.31Å
189	E	98.7	Very high	97.5	Very high	48 Å²	48	41.6 Å²	41.6	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-58.4	-54.7	174.2	-173.5	178.6	173.2	0	0	110.8	R186 R187 I191 S192 D193 H284	R186-E189 WeakPolarHBondContact CD-OE2 3.04Å; R186-E189 IonicContact CZ-OE2 3.58Å; R186-E189 IonicContact NE-OE2 3.94Å; R186-E189 IonicContact NH1-OE2 3.29Å; R186-E189 PolarHBondContact NH1-OE2 3.05Å; R186-E189 WeakPolarHBondContact O-CB 3.33Å; R186-E189 PolarHBondContact O-N 3.49Å; R187-E189 PolarHBondContact O-N 3.47Å; E189-I191 PolarHBondContact O-N 3.01Å; E189-S192 PolarHBondContact O-N 3.49Å; E189-S192 VanDerWaalsContact O-N 3.12Å; E189-S192 PolarHBondContact O-OG 3.32Å; E189-D193 PolarHBondContact O-N 3.04Å; E189-H284 VanDerWaalsContact CD-CE1 3.49Å; E189-H284 IonicContact OE2-CE1 3.03Å; E189-H284 PolarHBondContact OE2-CE1 2.77Å; E189-H284 IonicContact OE2-ND1 2.62Å
190	M	98.6	Very high	97.4	Very high	22 Å²	22	41.9 Å²	41.9	11%	0.108	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-41.2	-175.3	-65.4	176.9	-171.7	0	0	112.5	F120 F151 V174 R175 Y177 R186 R187 S192 D193 F194	F120-M190 HydrophobicContact CD1-SD 4.38Å; F120-M190 HydrophobicContact CE1-CB 3.92Å; F120-M190 HydrophobicContact CE1-CG 4.38Å; F120-M190 HydrophobicContact CE1-SD 3.58Å; F120-M190 VanDerWaalsContact CE1-SD 3.58Å; F120-M190 HydrophobicContact CZ-CB 3.87Å; F120-M190 HydrophobicContact CZ-SD 4.47Å; F151-M190 HydrophobicContact CD1-CB 4.45Å; F151-M190 HydrophobicContact CE1-CB 4.19Å; V174-M190 HydrophobicContact CB-CE 4.09Å; V174-M190 HydrophobicContact CB-SD 3.82Å; V174-M190 HydrophobicContact CG1-SD 3.87Å; V174-M190 HydrophobicContact CG2-CE 4.4Å; V174-M190 HydrophobicContact CG2-SD 3.88Å; R175-M190 HydrophobicContact CG-CE 4.34Å; Y177-M190 HydrophobicContact CD2-CE 4.43Å; Y177-M190 HydrophobicContact CE2-CE 3.81Å; R186-M190 HydrophobicContact CB-CE 4.25Å; R186-M190 WeakPolarHBondContact O-CG 3.47Å; R186-M190 PolarHBondContact O-N 3.26Å; R187-M190 PolarHBondContact O-N 2.81Å; M190-S192 VanDerWaalsContact C-N 3.34Å; M190-D193 PolarHBondContact O-N 3.36Å; M190-F194 VanDerWaalsContact O-CD2 3.27Å; M190-F194 WeakPolarHBondContact O-CD2 3.24Å; M190-F194 PolarHBondContact O-N 3.43Å; M190-F194 VanDerWaalsContact O-N 3.07Å
191	I	98.8	Very high	97.4	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-44.2	174.9	-65.7	161	0	0	0	109.8	F120 R187 E189 D193 F194 C195 F199 C208 F269 V276 T280	F120-I191 HydrophobicContact CE2-CD1 3.96Å; F120-I191 HydrophobicContact CE2-CG1 3.81Å; F120-I191 HydrophobicContact CZ-CG1 4.01Å; R187-I191 HydrophobicContact CB-CD1 4.38Å; R187-I191 WeakPolarHBondContact O-CB 3.28Å; R187-I191 WeakPolarHBondContact O-CD1 3.45Å; R187-I191 WeakPolarHBondContact O-CG1 3.41Å; R187-I191 PolarHBondContact O-N 2.95Å; E189-I191 PolarHBondContact O-N 3.01Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-D193 PolarHBondContact O-N 3.42Å; I191-F194 PolarHBondContact O-N 3.19Å; I191-C195 PolarHBondContact O-N 3.42Å; I191-C195 PolarHBondContact O-SG 2.63Å; I191-F199 HydrophobicContact CG2-CE2 4.35Å; I191-C208 HydrophobicContact CD1-CB 4.21Å; I191-F269 HydrophobicContact CD1-CZ 4.2Å; I191-V276 HydrophobicContact CG2-CG1 3.82Å; I191-T280 HydrophobicContact CB-CG2 4.03Å; I191-T280 HydrophobicContact CD1-CG2 4.44Å; I191-T280 HydrophobicContact CG2-CG2 3.8Å
192	S	98.4	Very high	97.5	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-38	-178.9	78.4	0	0	0	0	112.8	M188 E189 M190 C195 T280	M188-S192 WeakPolarHBondContact O-CB 3.42Å; M188-S192 PolarHBondContact O-N 3.16Å; M188-S192 PolarHBondContact O-OG 3.47Å; E189-S192 PolarHBondContact O-N 3.49Å; E189-S192 VanDerWaalsContact O-N 3.12Å; E189-S192 PolarHBondContact O-OG 3.32Å; M190-S192 VanDerWaalsContact C-N 3.34Å; S192-C195 WeakPolarHBondContact O-CB 3.48Å; S192-C195 PolarHBondContact O-N 3.4Å; S192-T280 WeakPolarHBondContact CB-OG1 3.37Å
193	D	98.2	Very high	97.5	Very high	56 Å²	56	43.2 Å²	43.2	30%	0.299	21%	0.212	S	C	.	.	H	α-helix	trans	-64	-46.5	174.4	-86.1	12.9	0	0	0	111.4	E189 M190 I191 C195 E196 R197	E189-D193 PolarHBondContact O-N 3.04Å; M190-D193 PolarHBondContact O-N 3.36Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-D193 PolarHBondContact O-N 3.42Å; D193-C195 VanDerWaalsContact C-N 3.3Å; D193-C195 PolarHBondContact O-N 2.91Å; D193-E196 PolarHBondContact O-N 3.49Å; D193-R197 VanDerWaalsContact O-CG 3.32Å; D193-R197 WeakPolarHBondContact O-CG 3.5Å; D193-R197 PolarHBondContact O-N 3.13Å; D193-R197 VanDerWaalsContact O-N 3.12Å; D193-R197 IonicContact OD2-CZ 2.75Å; D193-R197 IonicContact OD2-NH2 3.57Å; D193-R197 PolarHBondContact OD2-NH2 3.38Å
194	F	98.5	Very high	97.6	Very high	27 Å²	27	45.6 Å²	45.6	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-75.5	-18	-178.5	-83.4	-93.9	0	0	0	113.5	F151 L172 M190 I191 E196 R197 R198 F199	F151-F194 HydrophobicContact CD1-CE2 4.49Å; F151-F194 AromaticContact CE1-CD2 3.48Å; F151-F194 HydrophobicContact CE1-CD2 3.48Å; F151-F194 VanDerWaalsContact CE1-CD2 3.48Å; F151-F194 AromaticContact CE1-CE2 3.66Å; F151-F194 HydrophobicContact CE1-CE2 3.66Å; F151-F194 AromaticContact CE1-CG 3.95Å; F151-F194 HydrophobicContact CE1-CG 3.95Å; F151-F194 HydrophobicContact CE1-CZ 4.32Å; F151-F194 HydrophobicContact CZ-CB 4.11Å; F151-F194 AromaticContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CE2 4.48Å; F151-F194 AromaticContact CZ-CG 3.96Å; F151-F194 HydrophobicContact CZ-CG 3.96Å; L172-F194 HydrophobicContact CB-CE1 4.26Å; L172-F194 HydrophobicContact CB-CZ 4.12Å; L172-F194 HydrophobicContact CD1-CD1 3.66Å; L172-F194 HydrophobicContact CD1-CE1 3.66Å; L172-F194 HydrophobicContact CD1-CG 4.2Å; L172-F194 HydrophobicContact CD1-CZ 4.17Å; L172-F194 HydrophobicContact CD2-CD1 4.35Å; L172-F194 HydrophobicContact CD2-CE1 3.72Å; L172-F194 HydrophobicContact CD2-CZ 4.37Å; L172-F194 HydrophobicContact CG-CE1 4.08Å; L172-F194 HydrophobicContact CG-CZ 4.45Å; M190-F194 VanDerWaalsContact O-CD2 3.27Å; M190-F194 WeakPolarHBondContact O-CD2 3.24Å; M190-F194 PolarHBondContact O-N 3.43Å; M190-F194 VanDerWaalsContact O-N 3.07Å; I191-F194 PolarHBondContact O-N 3.19Å; F194-E196 VanDerWaalsContact C-N 3.28Å; F194-E196 PolarHBondContact O-N 3.3Å; F194-R197 PolarHBondContact O-N 2.96Å; F194-R198 HydrophobicContact CD1-CG 4.22Å; F194-R198 PolarHBondContact O-N 2.86Å; F194-F199 HydrophobicContact CB-CD2 4.07Å; F194-F199 HydrophobicContact CB-CE1 4Å; F194-F199 HydrophobicContact CB-CE2 3.41Å; F194-F199 VanDerWaalsContact CB-CE2 3.41Å; F194-F199 HydrophobicContact CB-CZ 3.39Å; F194-F199 HydrophobicContact CG-CZ 4.33Å; F194-F199 WeakPolarHBondContact O-CD2 3.41Å; F194-F199 WeakPolarHBondContact O-CG 3.37Å; F194-F199 PolarHBondContact O-N 2.75Å
195	C	97.8	Very high	97.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-56.1	-46.8	166.3	-70.3	0	0	0	0	110.8	I191 S192 D193 F199 L200 V273 Q277	I191-C195 PolarHBondContact O-N 3.42Å; I191-C195 PolarHBondContact O-SG 2.63Å; S192-C195 WeakPolarHBondContact O-CB 3.48Å; S192-C195 PolarHBondContact O-N 3.4Å; D193-C195 VanDerWaalsContact C-N 3.3Å; D193-C195 PolarHBondContact O-N 2.91Å; C195-F199 HydrophobicContact CB-CD2 4.3Å; C195-F199 VanDerWaalsContact N-CD2 3.31Å; C195-L200 WeakPolarHBondContact O-CD1 3.49Å; C195-L200 VanDerWaalsContact O-CG 3.24Å; C195-L200 WeakPolarHBondContact O-CG 3.04Å; C195-L200 PolarHBondContact O-N 3.4Å; C195-V273 HydrophobicContact CB-CG1 4.22Å; C195-Q277 HydrophobicContact CB-CB 3.8Å; C195-Q277 HydrophobicContact CB-CG 3.81Å
196	E	92.4	Very high	97.7	Very high	119 Å²	119	45.3 Å²	45.3	56%	0.556	22%	0.218	S	C	*	.	I	π-helix	trans	-74	-39.8	179.2	-63.7	-173	167.1	0	0	112.7	D193 F194 Q277 R281	D193-E196 PolarHBondContact O-N 3.49Å; F194-E196 VanDerWaalsContact C-N 3.28Å; F194-E196 PolarHBondContact O-N 3.3Å; E196-Q277 PolarHBondContact OE1-NE2 3.1Å; E196-R281 IonicContact OE1-CZ 3.28Å; E196-R281 IonicContact OE1-NH1 3.81Å; E196-R281 IonicContact OE1-NH2 2.75Å; E196-R281 PolarHBondContact OE1-NH2 3.37Å
197	R	93.8	Very high	97.8	Very high	162 Å²	162	43.9 Å²	43.9	61%	0.611	21%	0.212	S	C	*	.	I	π-helix	trans	-77.1	-32.4	-173.2	-64.7	173.2	-167.8	-172.3	10.7	113.6	D193 F194	D193-R197 VanDerWaalsContact O-CG 3.32Å; D193-R197 WeakPolarHBondContact O-CG 3.5Å; D193-R197 PolarHBondContact O-N 3.13Å; D193-R197 VanDerWaalsContact O-N 3.12Å; D193-R197 IonicContact OD2-CZ 2.75Å; D193-R197 IonicContact OD2-NH2 3.57Å; D193-R197 PolarHBondContact OD2-NH2 3.38Å; F194-R197 PolarHBondContact O-N 2.96Å
198	R	95.8	Very high	97.8	Very high	73 Å²	73	43.2 Å²	43.2	28%	0.275	21%	0.21	S	C	.	.	I	π-helix	trans	-142.4	-53.9	-169.3	-65	-164.7	71.4	162.6	1.5	114.1	F194 L200 S201 E202	F194-R198 HydrophobicContact CD1-CG 4.22Å; F194-R198 PolarHBondContact O-N 2.86Å; R198-L200 VanDerWaalsContact C-N 3.32Å; R198-L200 PolarHBondContact O-N 3.16Å; R198-S201 PolarHBondContact O-N 2.91Å; R198-S201 PolarHBondContact O-OG 3.03Å; R198-E202 IonicContact CZ-OE1 2.72Å; R198-E202 VanDerWaalsContact CZ-OE1 3.28Å; R198-E202 IonicContact CZ-OE2 3.56Å; R198-E202 IonicContact NE-OE1 3.57Å; R198-E202 PolarHBondContact NE-OE1 2.89Å; R198-E202 IonicContact NE-OE2 3.46Å; R198-E202 PolarHBondContact NE-OE2 2.74Å; R198-E202 IonicContact NH2-OE1 2.81Å; R198-E202 PolarHBondContact NH2-OE1 3.05Å; R198-E202 IonicContact NH2-OE2 3.59Å; R198-E202 WeakPolarHBondContact O-CG 3.45Å; R198-E202 PolarHBondContact O-N 2.84Å
199	F	98.2	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-62.9	-38.2	-162.1	-51.1	-35.7	0	0	0	112.9	T118 Y149 F151 I191 F194 C195 S201 E202 V203 L206 V273	T118-F199 HydrophobicContact CG2-CE2 4.1Å; T118-F199 HydrophobicContact CG2-CZ 3.8Å; Y149-F199 HydrophobicContact CD1-CD1 4.32Å; Y149-F199 AromaticContact CD1-CE1 3.61Å; Y149-F199 HydrophobicContact CD1-CE1 3.61Å; Y149-F199 HydrophobicContact CD2-CD1 4.05Å; Y149-F199 AromaticContact CD2-CE1 3.56Å; Y149-F199 HydrophobicContact CD2-CE1 3.56Å; Y149-F199 HydrophobicContact CD2-CZ 4.29Å; Y149-F199 AromaticContact CE1-CD1 3.94Å; Y149-F199 HydrophobicContact CE1-CD1 3.94Å; Y149-F199 AromaticContact CE1-CE1 3.69Å; Y149-F199 HydrophobicContact CE1-CE1 3.69Å; Y149-F199 AromaticContact CE2-CD1 3.64Å; Y149-F199 HydrophobicContact CE2-CD1 3.64Å; Y149-F199 AromaticContact CE2-CE1 3.64Å; Y149-F199 HydrophobicContact CE2-CE1 3.64Å; Y149-F199 HydrophobicContact CG-CD1 4.34Å; Y149-F199 AromaticContact CG-CE1 3.51Å; Y149-F199 HydrophobicContact CG-CE1 3.51Å; Y149-F199 HydrophobicContact CG-CZ 4.21Å; Y149-F199 AromaticContact CZ-CD1 3.57Å; Y149-F199 AromaticContact CZ-CE1 3.69Å; F151-F199 HydrophobicContact CE2-CZ 4.14Å; F151-F199 AromaticContact CZ-CZ 3.87Å; F151-F199 HydrophobicContact CZ-CZ 3.87Å; I191-F199 HydrophobicContact CG2-CE2 4.35Å; F194-F199 HydrophobicContact CB-CD2 4.07Å; F194-F199 HydrophobicContact CB-CE1 4Å; F194-F199 HydrophobicContact CB-CE2 3.41Å; F194-F199 VanDerWaalsContact CB-CE2 3.41Å; F194-F199 HydrophobicContact CB-CZ 3.39Å; F194-F199 HydrophobicContact CG-CZ 4.33Å; F194-F199 WeakPolarHBondContact O-CD2 3.41Å; F194-F199 WeakPolarHBondContact O-CG 3.37Å; F194-F199 PolarHBondContact O-N 2.75Å; C195-F199 HydrophobicContact CB-CD2 4.3Å; C195-F199 VanDerWaalsContact N-CD2 3.31Å; F199-S201 PolarHBondContact O-N 3.32Å; F199-S201 VanDerWaalsContact O-N 3.1Å; F199-E202 PolarHBondContact O-N 3.21Å; F199-V203 HydrophobicContact CB-CG2 4.11Å; F199-V203 PolarHBondContact O-N 2.8Å; F199-L206 HydrophobicContact CB-CD1 3.91Å; F199-L206 HydrophobicContact CB-CD2 4.22Å; F199-L206 HydrophobicContact CB-CG 4.38Å; F199-L206 HydrophobicContact CD1-CD2 4.23Å; F199-L206 HydrophobicContact CD2-CD1 3.41Å; F199-L206 VanDerWaalsContact CD2-CD1 3.41Å; F199-L206 HydrophobicContact CD2-CD2 3.92Å; F199-L206 HydrophobicContact CD2-CG 4.29Å; F199-L206 HydrophobicContact CE2-CD1 4.13Å; F199-L206 HydrophobicContact CE2-CD2 4.28Å; F199-L206 HydrophobicContact CG-CD1 3.89Å; F199-L206 HydrophobicContact CG-CD2 3.88Å; F199-L206 HydrophobicContact CG-CG 4.42Å; F199-V273 HydrophobicContact CB-CG1 3.87Å; F199-V273 HydrophobicContact CB-CG2 4.29Å
200	L	96.2	Very high	97.8	Very high	100 Å²	100	42.8 Å²	42.8	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-57.5	-26.1	177.7	-78.5	170.3	0	0	0	113.9	C195 R198 V273	C195-L200 WeakPolarHBondContact O-CD1 3.49Å; C195-L200 VanDerWaalsContact O-CG 3.24Å; C195-L200 WeakPolarHBondContact O-CG 3.04Å; C195-L200 PolarHBondContact O-N 3.4Å; R198-L200 VanDerWaalsContact C-N 3.32Å; R198-L200 PolarHBondContact O-N 3.16Å; L200-V273 HydrophobicContact CB-CG1 4.46Å; L200-V273 HydrophobicContact CD2-CB 4.06Å; L200-V273 HydrophobicContact CD2-CG1 3.61Å; L200-V273 HydrophobicContact CG-CG1 3.73Å
201	S	97.5	Very high	97.8	Very high	102 Å²	102	41.9 Å²	41.9	71%	0.713	21%	0.205	S	C	*	.	H	α-helix	trans	-98.9	-11.2	179.2	56.5	0	0	0	0	114.3	R198 F199	R198-S201 PolarHBondContact O-N 2.91Å; R198-S201 PolarHBondContact O-OG 3.03Å; F199-S201 PolarHBondContact O-N 3.32Å; F199-S201 VanDerWaalsContact O-N 3.1Å
202	E	98.6	Very high	97.8	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.257	21%	0.208	S	C	.	.	H	α-helix	trans	-115.1	-31.6	-168.3	-69.6	-179	174	0	0	113.3	H147 Y149 R198 F199	H147-E202 IonicContact CE1-OE2 2.62Å; H147-E202 PolarHBondContact CE1-OE2 2.84Å; H147-E202 IonicContact ND1-OE2 2.64Å; Y149-E202 WeakPolarHBondContact CE1-OE2 3.27Å; Y149-E202 VanDerWaalsContact CZ-OE2 3.27Å; Y149-E202 VanDerWaalsContact OH-CB 3.26Å; Y149-E202 WeakPolarHBondContact OH-CB 3.08Å; Y149-E202 PolarHBondContact OH-OE2 3.08Å; R198-E202 IonicContact CZ-OE1 2.72Å; R198-E202 VanDerWaalsContact CZ-OE1 3.28Å; R198-E202 IonicContact CZ-OE2 3.56Å; R198-E202 IonicContact NE-OE1 3.57Å; R198-E202 PolarHBondContact NE-OE1 2.89Å; R198-E202 IonicContact NE-OE2 3.46Å; R198-E202 PolarHBondContact NE-OE2 2.74Å; R198-E202 IonicContact NH2-OE1 2.81Å; R198-E202 PolarHBondContact NH2-OE1 3.05Å; R198-E202 IonicContact NH2-OE2 3.59Å; R198-E202 WeakPolarHBondContact O-CG 3.45Å; R198-E202 PolarHBondContact O-N 2.84Å; F199-E202 PolarHBondContact O-N 3.21Å
203	V	98.8	Very high	97.8	Very high	10 Å²	10	42.7 Å²	42.7	6%	0.061	21%	0.209	C	C	.	.			trans	-141.4	153.8	-171.9	-55	0	0	0	0	112.1	T114 H147 Y149 F199 L206 V273	T114-V203 HydrophobicContact CG2-CB 4.41Å; T114-V203 HydrophobicContact CG2-CG1 3.94Å; H147-V203 HydrophobicContact CB-CG1 3.94Å; Y149-V203 HydrophobicContact CE2-CG1 4.11Å; Y149-V203 WeakPolarHBondContact OH-CG1 3.37Å; F199-V203 HydrophobicContact CB-CG2 4.11Å; F199-V203 PolarHBondContact O-N 2.8Å; V203-L206 HydrophobicContact CG2-CD2 3.94Å; V203-L206 HydrophobicContact CG2-CG 4.15Å; V203-V273 HydrophobicContact CG2-CG2 3.79Å; V203-V273 VanDerWaalsContact O-CG2 3.23Å; V203-V273 WeakPolarHBondContact O-CG2 3.26Å
204	D	98.8	Very high	97.8	Very high	79 Å²	79	41.6 Å²	41.6	42%	0.422	20%	0.202	S	C	.	.	S	Bend	trans	-87.5	-39.1	177.7	-55	-63.1	0	0	0	111.4	T113 T114 V273	T113-D204 WeakPolarHBondContact CA-OD2 3.49Å; T113-D204 HydrophobicContact CG2-CB 4.3Å; T114-D204 PolarHBondContact N-OD2 2.81Å; T114-D204 PolarHBondContact O-N 3.31Å; D204-V273 PolarHBondContact O-N 2.63Å
205	Y	98.9	Very high	97.8	Very high	42 Å²	42	40.4 Å²	40.4	17%	0.165	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.4	-178.7	-64.2	-89.7	0	0	0	111	F108 T113 T114 G116 L224 T225 G271	F108-Y205 HydrophobicContact CE1-CE2 4.07Å; T113-Y205 HydrophobicContact CG2-CD2 3.67Å; T113-Y205 HydrophobicContact CG2-CE2 3.88Å; T114-Y205 PolarHBondContact O-N 2.8Å; G116-Y205 PolarHBondContact N-O 3.43Å; Y205-L224 HydrophobicContact CD1-CB 4.28Å; Y205-L224 HydrophobicContact CD1-CD2 4.37Å; Y205-L224 HydrophobicContact CD2-CD1 4.13Å; Y205-L224 HydrophobicContact CD2-CD2 4.47Å; Y205-L224 HydrophobicContact CE1-CB 4.34Å; Y205-L224 HydrophobicContact CG-CB 4.39Å; Y205-L224 HydrophobicContact CG-CD1 4.45Å; Y205-L224 HydrophobicContact CG-CD2 3.98Å; Y205-L224 HydrophobicContact CG-CG 4.5Å; Y205-T225 WeakPolarHBondContact CE1-O 3.35Å; Y205-G271 CarbonylContact C-O 3.1Å; Y205-G271 VanDerWaalsContact CA-O 3.27Å; Y205-G271 WeakPolarHBondContact CA-O 3.48Å
206	L	98.9	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.9	169.8	-75.9	167.4	0	0	0	110.4	G116 T118 Y149 F199 V203 G270 G271 V273 V276	G116-L206 CarbonylContact O-C 3.31Å; G116-L206 WeakPolarHBondContact O-CA 3.36Å; T118-L206 HydrophobicContact CG2-CD2 3.91Å; Y149-L206 HydrophobicContact CE2-CD2 4.49Å; F199-L206 HydrophobicContact CB-CD1 3.91Å; F199-L206 HydrophobicContact CB-CD2 4.22Å; F199-L206 HydrophobicContact CB-CG 4.38Å; F199-L206 HydrophobicContact CD1-CD2 4.23Å; F199-L206 HydrophobicContact CD2-CD1 3.41Å; F199-L206 VanDerWaalsContact CD2-CD1 3.41Å; F199-L206 HydrophobicContact CD2-CD2 3.92Å; F199-L206 HydrophobicContact CD2-CG 4.29Å; F199-L206 HydrophobicContact CE2-CD1 4.13Å; F199-L206 HydrophobicContact CE2-CD2 4.28Å; F199-L206 HydrophobicContact CG-CD1 3.89Å; F199-L206 HydrophobicContact CG-CD2 3.88Å; F199-L206 HydrophobicContact CG-CG 4.42Å; V203-L206 HydrophobicContact CG2-CD2 3.94Å; V203-L206 HydrophobicContact CG2-CG 4.15Å; L206-G270 CarbonylContact O-C 3.58Å; L206-G270 WeakPolarHBondContact O-CA 3.32Å; L206-G271 PolarHBondContact N-O 3.4Å; L206-G271 PolarHBondContact O-N 3.01Å; L206-V273 HydrophobicContact CD1-CB 4.42Å; L206-V273 HydrophobicContact CD1-CG1 4.13Å; L206-V273 HydrophobicContact CD1-CG2 4.2Å; L206-V273 HydrophobicContact CG-CG2 4.15Å; L206-V276 HydrophobicContact CB-CB 4.29Å; L206-V276 HydrophobicContact CB-CG1 4.18Å; L206-V276 HydrophobicContact CB-CG2 4.02Å; L206-V276 HydrophobicContact CD1-CB 4.21Å; L206-V276 HydrophobicContact CD1-CG1 3.92Å
207	V	98.9	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.5	168.8	178.2	0	0	0	0	107.3	I115 G116 L117 T118 F140 V209 I223 F228 F268	I115-V207 HydrophobicContact CG2-CG2 3.96Å; G116-V207 PolarHBondContact O-N 2.95Å; L117-V207 WeakPolarHBondContact CA-O 3.49Å; L117-V207 HydrophobicContact CD1-CB 3.84Å; L117-V207 HydrophobicContact CD1-CG1 3.65Å; T118-V207 PolarHBondContact N-O 2.82Å; F140-V207 HydrophobicContact CE2-CB 4.36Å; F140-V207 HydrophobicContact CE2-CG1 4.18Å; F140-V207 HydrophobicContact CE2-CG2 4.27Å; F140-V207 HydrophobicContact CZ-CB 4.12Å; F140-V207 HydrophobicContact CZ-CG1 4.42Å; F140-V207 HydrophobicContact CZ-CG2 4.06Å; V207-V209 HydrophobicContact CG1-CG1 3.87Å; V207-I223 HydrophobicContact CG2-CD1 3.99Å; V207-F228 HydrophobicContact CG1-CZ 4.32Å; V207-F228 HydrophobicContact CG2-CE1 4.4Å; V207-F228 HydrophobicContact CG2-CZ 4.17Å; V207-F268 HydrophobicContact CG1-CD1 4.16Å; V207-F268 HydrophobicContact CG1-CE1 3.49Å; V207-F268 VanDerWaalsContact CG1-CE1 3.49Å; V207-F268 HydrophobicContact CG1-CZ 4.14Å
208	C	98.9	Very high	98.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.2	-174.8	-58.4	0	0	0	0	109.3	T118 I191 F268 F269	T118-C208 WeakPolarHBondContact OG1-CA 3.2Å; T118-C208 WeakPolarHBondContact OG1-CB 3.36Å; T118-C208 PolarHBondContact OG1-SG 3.31Å; I191-C208 HydrophobicContact CD1-CB 4.21Å; C208-F268 WeakPolarHBondContact O-CA 3.47Å; C208-F269 HydrophobicContact CB-CD1 4.25Å; C208-F269 HydrophobicContact CB-CD2 4.02Å; C208-F269 HydrophobicContact CB-CE1 3.83Å; C208-F269 HydrophobicContact CB-CE2 3.57Å; C208-F269 HydrophobicContact CB-CG 4.35Å; C208-F269 HydrophobicContact CB-CZ 3.47Å; C208-F269 VanDerWaalsContact CB-CZ 3.47Å; C208-F269 PolarHBondContact N-O 3.38Å; C208-F269 PolarHBondContact O-N 2.89Å; C208-F269 VanDerWaalsContact O-N 3.1Å
209	V	98.9	Very high	98.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.6	-172.1	-60.5	0	0	0	0	113.8	L117 T118 F132 V207 G267 F268 F340	L117-V209 HydrophobicContact CD1-CG1 4.32Å; L117-V209 HydrophobicContact CD1-CG2 3.69Å; L117-V209 HydrophobicContact CG-CG2 4.42Å; T118-V209 PolarHBondContact O-N 3.32Å; F132-V209 HydrophobicContact CE2-CG2 3.62Å; F132-V209 HydrophobicContact CZ-CG2 3.5Å; V207-V209 HydrophobicContact CG1-CG1 3.87Å; V209-G267 CarbonylContact C-O 3.55Å; V209-G267 WeakPolarHBondContact CA-O 3.45Å; V209-F268 HydrophobicContact CG1-CB 4.25Å; V209-F268 HydrophobicContact CG1-CD1 3.67Å; V209-F268 HydrophobicContact CG1-CD2 4.05Å; V209-F268 HydrophobicContact CG1-CE1 4.01Å; V209-F268 HydrophobicContact CG1-CE2 4.34Å; V209-F268 HydrophobicContact CG1-CG 3.73Å; V209-F268 HydrophobicContact CG1-CZ 4.33Å; V209-F340 HydrophobicContact CB-CE1 4.17Å; V209-F340 HydrophobicContact CB-CZ 4.08Å; V209-F340 HydrophobicContact CG1-CE1 4.32Å; V209-F340 HydrophobicContact CG2-CZ 4.27Å
210	D	98.6	Very high	98.6	Very high	39 Å²	39	32.9 Å²	32.9	21%	0.209	17%	0.169	C	C	.	.			trans	-72.6	145.8	169	-77.5	-1.4	0	0	0	111.6	R187 M213 G267	R187-D210 IonicContact CZ-OD1 3.54Å; R187-D210 IonicContact NH1-OD1 3.51Å; R187-D210 PolarHBondContact NH1-OD1 2.91Å; R187-D210 IonicContact NH2-OD1 2.77Å; R187-D210 PolarHBondContact NH2-OD1 3.41Å; D210-M213 HydrophobicContact CB-CE 4.02Å; D210-M213 HydrophobicContact CB-CG 4.12Å; D210-G267 PolarHBondContact N-O 3.34Å; D210-G267 WeakPolarHBondContact OD1-CA 3.48Å; D210-G267 WeakPolarHBondContact OD2-CA 3.29Å
211	V	98.7	Very high	98.7	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.144	C	C	.	.	S	Bend	trans	-84.9	-26.1	-174.9	72	0	0	0	0	113.3	V119 F120 A121 Y125 F128 L129 F132 M213	V119-V211 HydrophobicContact CG2-CB 3.35Å; V119-V211 HydrophobicContact CG2-CG2 3.48Å; V119-V211 VanDerWaalsContact CG2-CG2 3.48Å; F120-V211 WeakPolarHBondContact O-CB 3.45Å; F120-V211 VanDerWaalsContact O-CG1 3.22Å; F120-V211 WeakPolarHBondContact O-CG1 3.35Å; A121-V211 HydrophobicContact CB-CG2 4.33Å; Y125-V211 HydrophobicContact CD1-CG1 3.75Å; Y125-V211 HydrophobicContact CG-CG1 4.36Å; F128-V211 HydrophobicContact CB-CG1 4.28Å; F128-V211 HydrophobicContact CB-CG2 4.05Å; F128-V211 WeakPolarHBondContact CB-O 3.5Å; F128-V211 HydrophobicContact CD2-CG1 4.25Å; L129-V211 HydrophobicContact CD2-CG2 3.79Å; L129-V211 HydrophobicContact CG-CG2 4.21Å; F132-V211 HydrophobicContact CB-CG2 4.41Å; F132-V211 HydrophobicContact CG-CG2 4.39Å; V211-M213 PolarHBondContact O-N 2.86Å
212	D	98.3	Very high	98.8	Very high	14 Å²	14	23.4 Å²	23.4	8%	0.075	11%	0.111	C	C	.	.	S	Bend	trans	-80.2	46.2	-176.3	51.2	-51.9	0	0	0	112.2	Y125 F128 V343 K345	Y125-D212 HydrophobicContact CD1-CB 4.34Å; Y125-D212 HydrophobicContact CE1-CB 4.16Å; F128-D212 HydrophobicContact CD1-CB 4.22Å; F128-D212 HydrophobicContact CD2-CB 3.88Å; F128-D212 HydrophobicContact CE1-CB 4.21Å; F128-D212 HydrophobicContact CE2-CB 3.87Å; F128-D212 HydrophobicContact CG-CB 4.07Å; F128-D212 HydrophobicContact CZ-CB 4.04Å; D212-V343 PolarHBondContact O-N 3.12Å; D212-K345 HydrophobicContact CB-CD 3.99Å; D212-K345 WeakPolarHBondContact OD2-CD 3.42Å; D212-K345 WeakPolarHBondContact OD2-CE 3.35Å; D212-K345 IonicContact OD2-NZ 3.46Å; D212-K345 PolarHBondContact OD2-NZ 2.85Å
213	M	98.6	Very high	98.8	Very high	11 Å²	11	20.8 Å²	20.8	5%	0.054	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.5	-170.4	-58.2	-73.9	-175.6	0	0	109.6	D210 V211 L323 F340 T341 A342	D210-M213 HydrophobicContact CB-CE 4.02Å; D210-M213 HydrophobicContact CB-CG 4.12Å; V211-M213 PolarHBondContact O-N 2.86Å; M213-L323 HydrophobicContact CE-CD1 3.7Å; M213-L323 HydrophobicContact CE-CD2 3.95Å; M213-L323 HydrophobicContact CE-CG 3.99Å; M213-L323 HydrophobicContact SD-CD1 4.44Å; M213-L323 HydrophobicContact SD-CG 4.38Å; M213-F340 HydrophobicContact CB-CD1 4.35Å; M213-F340 HydrophobicContact CB-CD2 4.04Å; M213-F340 HydrophobicContact CB-CE1 3.66Å; M213-F340 HydrophobicContact CB-CE2 3.28Å; M213-F340 HydrophobicContact CB-CZ 3.08Å; M213-F340 HydrophobicContact CG-CD1 4.43Å; M213-F340 HydrophobicContact CG-CE1 3.61Å; M213-F340 HydrophobicContact CG-CE2 4.18Å; M213-F340 HydrophobicContact CG-CZ 3.48Å; M213-F340 VanDerWaalsContact CG-CZ 3.48Å; M213-F340 HydrophobicContact SD-CE1 4.29Å; M213-T341 CarbonylContact C-O 3.52Å; M213-T341 VanDerWaalsContact CA-O 3.27Å; M213-T341 WeakPolarHBondContact CA-O 3.46Å; M213-A342 WeakPolarHBondContact SD-CA 3.27Å; M213-A342 HydrophobicContact SD-CB 4.03Å
214	E	98.8	Very high	98.8	Very high	33 Å²	33	20.5 Å²	20.5	15%	0.154	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.1	172.1	65.7	176.5	157.2	0	0	110.9	L131 T135 R216 F340 T341 V343	L131-E214 HydrophobicContact CD2-CB 4.02Å; L131-E214 HydrophobicContact CG-CB 3.97Å; T135-E214 HydrophobicContact CG2-CB 4.26Å; E214-R216 HydrophobicContact CG-CG 4.15Å; E214-R216 IonicContact OE1-CZ 2.63Å; E214-R216 VanDerWaalsContact OE1-CZ 3.22Å; E214-R216 IonicContact OE1-NE 3.21Å; E214-R216 PolarHBondContact OE1-NE 3.17Å; E214-R216 IonicContact OE1-NH2 3.57Å; E214-R216 PolarHBondContact OE1-NH2 2.88Å; E214-F340 CarbonylContact O-C 3.54Å; E214-F340 WeakPolarHBondContact O-CA 3.36Å; E214-F340 WeakPolarHBondContact O-CD2 3.3Å; E214-T341 WeakPolarHBondContact CG-OG1 3.43Å; E214-T341 PolarHBondContact N-O 3Å; E214-T341 PolarHBondContact O-N 3.31Å; E214-V343 HydrophobicContact CB-CG2 4.14Å; E214-V343 HydrophobicContact CG-CG2 4.25Å
215	F	98.9	Very high	98.8	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134	171.8	-60.5	-97.7	0	0	0	110	L117 F132 T135 A136 H139 F140 V219 R339 F340	L117-F215 HydrophobicContact CD2-CZ 4.37Å; F132-F215 HydrophobicContact CD2-CE2 4.23Å; F132-F215 AromaticContact CE2-CE2 3.82Å; F132-F215 HydrophobicContact CE2-CE2 3.82Å; F132-F215 HydrophobicContact CE2-CZ 4.37Å; F132-F215 HydrophobicContact CZ-CE2 4.03Å; F132-F215 HydrophobicContact CZ-CZ 4.46Å; T135-F215 VanDerWaalsContact CB-O 3.23Å; T135-F215 WeakPolarHBondContact CB-O 3.44Å; T135-F215 WeakPolarHBondContact CG2-O 3.47Å; T135-F215 PolarHBondContact OG1-N 2.74Å; A136-F215 HydrophobicContact CB-CD2 3.78Å; A136-F215 HydrophobicContact CB-CE2 3.65Å; A136-F215 HydrophobicContact CB-CZ 4.45Å; H139-F215 HydrophobicContact CB-CB 3.7Å; H139-F215 HydrophobicContact CB-CG 4.46Å; H139-F215 PolarHBondContact CD2-O 2.88Å; H139-F215 VanDerWaalsContact CD2-O 3.31Å; F140-F215 HydrophobicContact CB-CD1 4.47Å; F140-F215 HydrophobicContact CB-CE1 4.19Å; F140-F215 HydrophobicContact CB-CZ 4.37Å; F140-F215 AromaticContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CZ 4.21Å; F140-F215 HydrophobicContact CG-CE1 4.44Å; F140-F215 HydrophobicContact CG-CZ 4.49Å; F215-V219 HydrophobicContact CD1-CB 4.23Å; F215-V219 HydrophobicContact CD1-CG2 3.86Å; F215-V219 HydrophobicContact CE1-CB 4.25Å; F215-V219 HydrophobicContact CE1-CG1 4.43Å; F215-V219 HydrophobicContact CE1-CG2 4.13Å; F215-R339 CarbonylContact C-O 3.53Å; F215-R339 WeakPolarHBondContact CA-O 3.48Å; F215-F340 HydrophobicContact CD1-CB 4.3Å; F215-F340 AromaticContact CD1-CD2 3.62Å; F215-F340 HydrophobicContact CD1-CD2 3.62Å; F215-F340 HydrophobicContact CD1-CE2 4.28Å; F215-F340 HydrophobicContact CD1-CG 4.29Å; F215-F340 AromaticContact CD2-CD2 3.83Å; F215-F340 HydrophobicContact CD2-CD2 3.83Å; F215-F340 AromaticContact CD2-CE2 3.84Å; F215-F340 HydrophobicContact CD2-CE2 3.84Å; F215-F340 AromaticContact CE1-CD2 3.63Å; F215-F340 HydrophobicContact CE1-CD2 3.63Å; F215-F340 AromaticContact CE1-CE2 3.97Å; F215-F340 HydrophobicContact CE1-CE2 3.97Å; F215-F340 HydrophobicContact CE1-CG 4.22Å; F215-F340 AromaticContact CE2-CD2 3.84Å; F215-F340 HydrophobicContact CE2-CD2 3.84Å; F215-F340 AromaticContact CE2-CE2 3.49Å; F215-F340 HydrophobicContact CE2-CE2 3.49Å; F215-F340 VanDerWaalsContact CE2-CE2 3.49Å; F215-F340 HydrophobicContact CE2-CZ 4.46Å; F215-F340 AromaticContact CG-CD2 3.72Å; F215-F340 HydrophobicContact CG-CD2 3.72Å; F215-F340 HydrophobicContact CG-CE2 4.22Å; F215-F340 AromaticContact CZ-CD2 3.74Å; F215-F340 HydrophobicContact CZ-CD2 3.74Å; F215-F340 AromaticContact CZ-CE2 3.56Å; F215-F340 HydrophobicContact CZ-CE2 3.56Å; F215-F340 HydrophobicContact CZ-CZ 4.29Å
216	R	98.8	Very high	98.8	Very high	103 Å²	103	18.4 Å²	18.4	39%	0.389	9%	0.092	S	C	.	.			trans	-123.1	-18.3	-178.6	-67	-170.8	175.2	-179.7	6.1	113.8	E214 L338 R339 T341	E214-R216 HydrophobicContact CG-CG 4.15Å; E214-R216 IonicContact OE1-CZ 2.63Å; E214-R216 VanDerWaalsContact OE1-CZ 3.22Å; E214-R216 IonicContact OE1-NE 3.21Å; E214-R216 PolarHBondContact OE1-NE 3.17Å; E214-R216 IonicContact OE1-NH2 3.57Å; E214-R216 PolarHBondContact OE1-NH2 2.88Å; R216-L338 WeakPolarHBondContact CB-O 3.42Å; R216-R339 PolarHBondContact N-O 3.3Å; R216-T341 VanDerWaalsContact CD-OG1 3.3Å; R216-T341 WeakPolarHBondContact CD-OG1 3.36Å; R216-T341 PolarHBondContact NE-OG1 2.99Å
217	D	98.9	Very high	98.8	Very high	43 Å²	43	18.6 Å²	18.6	23%	0.23	9%	0.093	C	C	.	.	S	Bend	trans	-150.9	173.4	177.8	-153.3	-37.9	0	0	0	109.1	H139 V219 K337 R339	H139-D217 WeakPolarHBondContact CB-O 3.49Å; D217-V219 PolarHBondContact O-N 2.9Å; D217-K337 IonicContact OD1-NZ 3.47Å; D217-K337 PolarHBondContact OD1-NZ 2.91Å; D217-K337 WeakPolarHBondContact OD2-CD 3.42Å; D217-K337 WeakPolarHBondContact OD2-CG 3.29Å; D217-K337 IonicContact OD2-NZ 3.64Å; D217-K337 PolarHBondContact OD2-NZ 3.02Å; D217-R339 HydrophobicContact CB-CB 4.39Å; D217-R339 HydrophobicContact CB-CG 4.25Å; D217-R339 PolarHBondContact N-O 2.68Å
218	H	98.9	Very high	98.8	Very high	49 Å²	49	18.6 Å²	18.6	23%	0.227	9%	0.093	C	C	.	.			trans	-49.9	124.7	-176.8	176.4	83.2	0	0	0	113.4	I101 G220 E222 R339	I101-H218 WeakPolarHBondContact CD1-NE2 3.41Å; H218-G220 WeakPolarHBondContact NE2-CA 3.37Å; H218-G220 PolarHBondContact NE2-N 3.17Å; H218-E222 IonicContact CD2-OE1 2.84Å; H218-E222 PolarHBondContact CD2-OE1 2.8Å; H218-E222 IonicContact CD2-OE2 2.72Å; H218-E222 IonicContact CE1-OE2 3.61Å; H218-E222 IonicContact NE2-OE1 3.86Å; H218-E222 PolarHBondContact NE2-OE1 2.73Å; H218-E222 IonicContact NE2-OE2 2.63Å; H218-E222 PolarHBondContact NE2-OE2 3.32Å; H218-R339 WeakPolarHBondContact O-CD 3.46Å; H218-R339 PolarHBondContact O-NH1 2.81Å
219	V	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-127.5	101.4	165.4	178.5	0	0	0	0	107.3	H139 F140 M141 F215 D217 I223 F268 Y322 R339	H139-V219 PolarHBondContact O-N 3.25Å; H139-V219 VanDerWaalsContact O-O 3.13Å; F140-V219 WeakPolarHBondContact CA-O 3.5Å; F140-V219 HydrophobicContact CD2-CB 4.39Å; F140-V219 HydrophobicContact CD2-CG1 4.01Å; F140-V219 HydrophobicContact CE2-CG1 4.36Å; M141-V219 PolarHBondContact N-O 3.13Å; F215-V219 HydrophobicContact CD1-CB 4.23Å; F215-V219 HydrophobicContact CD1-CG2 3.86Å; F215-V219 HydrophobicContact CE1-CB 4.25Å; F215-V219 HydrophobicContact CE1-CG1 4.43Å; F215-V219 HydrophobicContact CE1-CG2 4.13Å; D217-V219 PolarHBondContact O-N 2.9Å; V219-I223 HydrophobicContact CG1-CD1 3.92Å; V219-I223 HydrophobicContact CG1-CG2 4.46Å; V219-F268 HydrophobicContact CG1-CZ 4.11Å; V219-Y322 HydrophobicContact CG1-CD1 4.17Å; V219-Y322 HydrophobicContact CG1-CE1 4.28Å; V219-Y322 HydrophobicContact CG2-CD1 4.17Å; V219-Y322 HydrophobicContact CG2-CE1 4.38Å; V219-R339 HydrophobicContact CG2-CB 3.68Å
220	G	98.9	Very high	98.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.01	9%	0.092	C	C	.	.			trans	-128.1	-157.9	-171.3	0	0	0	0	0	114.1	M141 H218 E222 I223	M141-G220 WeakPolarHBondContact CE-O 3.49Å; H218-G220 WeakPolarHBondContact NE2-CA 3.37Å; H218-G220 PolarHBondContact NE2-N 3.17Å; G220-E222 WeakPolarHBondContact CA-OE2 3.5Å; G220-E222 PolarHBondContact N-OE1 3.47Å; G220-E222 PolarHBondContact N-OE2 3Å; G220-E222 PolarHBondContact O-N 3.02Å; G220-I223 WeakPolarHBondContact O-CG1 3.47Å; G220-I223 PolarHBondContact O-N 3.21Å
221	V	98.8	Very high	98.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-65	-11	-173.2	-64.5	0	0	0	0	114.1	I101 L104 N105 F108 M141 H144 I223 L224	I101-V221 HydrophobicContact CD1-CG2 4.2Å; L104-V221 HydrophobicContact CB-CG2 3.84Å; N105-V221 WeakPolarHBondContact OD1-CG2 3.34Å; F108-V221 HydrophobicContact CB-CB 4.17Å; F108-V221 HydrophobicContact CB-CG1 3.93Å; F108-V221 HydrophobicContact CB-CG2 4.46Å; F108-V221 HydrophobicContact CD2-CB 3.62Å; F108-V221 HydrophobicContact CD2-CG1 4.31Å; F108-V221 HydrophobicContact CD2-CG2 3.86Å; F108-V221 HydrophobicContact CE2-CB 4.15Å; F108-V221 HydrophobicContact CG-CB 3.92Å; F108-V221 HydrophobicContact CG-CG1 4.11Å; F108-V221 HydrophobicContact CG-CG2 4.43Å; M141-V221 HydrophobicContact SD-CG1 3.99Å; H144-V221 VanDerWaalsContact CE1-CG1 3.43Å; H144-V221 WeakPolarHBondContact CE1-CG1 3.39Å; H144-V221 WeakPolarHBondContact NE2-CG1 3.41Å; V221-I223 PolarHBondContact O-N 3.17Å; V221-L224 HydrophobicContact CB-CD1 4.01Å; V221-L224 HydrophobicContact CB-CG 4.44Å; V221-L224 HydrophobicContact CG1-CD1 3.78Å; V221-L224 PolarHBondContact O-N 3.41Å
222	E	98.9	Very high	98.8	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.014	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24.1	172.4	74.8	-76.7	176.3	0	0	113.4	V94 F99 I101 L104 H218 G220 K316 Y322	V94-E222 HydrophobicContact CG1-CB 4.32Å; V94-E222 HydrophobicContact CG1-CG 3.77Å; F99-E222 HydrophobicContact CD1-CB 4.13Å; F99-E222 HydrophobicContact CD1-CG 4.16Å; F99-E222 HydrophobicContact CD2-CB 3.87Å; F99-E222 HydrophobicContact CD2-CG 4.24Å; F99-E222 HydrophobicContact CE1-CB 4.32Å; F99-E222 HydrophobicContact CE1-CG 3.86Å; F99-E222 HydrophobicContact CE2-CB 4.05Å; F99-E222 HydrophobicContact CE2-CG 3.93Å; F99-E222 HydrophobicContact CG-CB 3.92Å; F99-E222 HydrophobicContact CG-CG 4.36Å; F99-E222 HydrophobicContact CZ-CB 4.28Å; F99-E222 HydrophobicContact CZ-CG 3.74Å; I101-E222 WeakPolarHBondContact CD1-OE2 3.3Å; L104-E222 HydrophobicContact CD1-CB 3.6Å; H218-E222 IonicContact CD2-OE1 2.84Å; H218-E222 PolarHBondContact CD2-OE1 2.8Å; H218-E222 IonicContact CD2-OE2 2.72Å; H218-E222 IonicContact CE1-OE2 3.61Å; H218-E222 IonicContact NE2-OE1 3.86Å; H218-E222 PolarHBondContact NE2-OE1 2.73Å; H218-E222 IonicContact NE2-OE2 2.63Å; H218-E222 PolarHBondContact NE2-OE2 3.32Å; G220-E222 WeakPolarHBondContact CA-OE2 3.5Å; G220-E222 PolarHBondContact N-OE1 3.47Å; G220-E222 PolarHBondContact N-OE2 3Å; G220-E222 PolarHBondContact O-N 3.02Å; E222-K316 WeakPolarHBondContact O-CD 3.27Å; E222-K316 PolarHBondContact O-NZ 2.97Å; E222-Y322 WeakPolarHBondContact CG-OH 3.28Å; E222-Y322 WeakPolarHBondContact OE1-CE1 3.4Å; E222-Y322 PolarHBondContact OE1-OH 2.92Å
223	I	98.9	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-81.7	-21	177.2	80.6	-177.5	0	0	0	112.8	M141 V207 V219 G220 V221 T225 F228 F268 L318 Y322	M141-I223 HydrophobicContact CE-CD1 3.52Å; M141-I223 HydrophobicContact CE-CG1 3.65Å; V207-I223 HydrophobicContact CG2-CD1 3.99Å; V219-I223 HydrophobicContact CG1-CD1 3.92Å; V219-I223 HydrophobicContact CG1-CG2 4.46Å; G220-I223 WeakPolarHBondContact O-CG1 3.47Å; G220-I223 PolarHBondContact O-N 3.21Å; V221-I223 PolarHBondContact O-N 3.17Å; I223-T225 PolarHBondContact O-N 3.1Å; I223-F228 HydrophobicContact CD1-CZ 4.28Å; I223-F228 HydrophobicContact CG1-CE1 4.47Å; I223-F228 WeakPolarHBondContact O-CD1 3.32Å; I223-F268 HydrophobicContact CD1-CE1 4.11Å; I223-F268 HydrophobicContact CD1-CZ 4.02Å; I223-L318 HydrophobicContact CB-CD1 3.97Å; I223-L318 HydrophobicContact CB-CD2 3.77Å; I223-L318 HydrophobicContact CG2-CD1 3.9Å; I223-L318 HydrophobicContact CG2-CD2 3.77Å; I223-Y322 HydrophobicContact CG2-CD1 3.81Å; I223-Y322 HydrophobicContact CG2-CE1 3.35Å
224	L	98.9	Very high	98.8	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	11%	0.106	C	C	.	.			trans	-72.1	131.7	-170.7	-59	-178.7	0	0	0	111.7	F108 T113 I115 M141 Y205 V221 K316	F108-L224 HydrophobicContact CD1-CD1 3.95Å; F108-L224 HydrophobicContact CE1-CB 3.78Å; F108-L224 HydrophobicContact CE1-CD1 3.96Å; F108-L224 HydrophobicContact CG-CD1 4.5Å; F108-L224 HydrophobicContact CZ-CB 3.79Å; T113-L224 HydrophobicContact CG2-CD1 4.1Å; I115-L224 HydrophobicContact CD1-CD1 4.21Å; I115-L224 HydrophobicContact CG1-CD1 3.76Å; I115-L224 HydrophobicContact CG1-CD2 4.15Å; I115-L224 HydrophobicContact CG2-CD2 4.31Å; M141-L224 HydrophobicContact CE-CD1 4.5Å; M141-L224 HydrophobicContact CE-CD2 3.71Å; M141-L224 HydrophobicContact CE-CG 4.04Å; M141-L224 HydrophobicContact SD-CD1 4.46Å; Y205-L224 HydrophobicContact CD1-CB 4.28Å; Y205-L224 HydrophobicContact CD1-CD2 4.37Å; Y205-L224 HydrophobicContact CD2-CD1 4.13Å; Y205-L224 HydrophobicContact CD2-CD2 4.47Å; Y205-L224 HydrophobicContact CE1-CB 4.34Å; Y205-L224 HydrophobicContact CG-CB 4.39Å; Y205-L224 HydrophobicContact CG-CD1 4.45Å; Y205-L224 HydrophobicContact CG-CD2 3.98Å; Y205-L224 HydrophobicContact CG-CG 4.5Å; V221-L224 HydrophobicContact CB-CD1 4.01Å; V221-L224 HydrophobicContact CB-CG 4.44Å; V221-L224 HydrophobicContact CG1-CD1 3.78Å; V221-L224 PolarHBondContact O-N 3.41Å; L224-K316 WeakPolarHBondContact O-CE 3.13Å; L224-K316 PolarHBondContact O-NZ 2.64Å
225	T	98.8	Very high	98.8	Very high	15 Å²	15	19.9 Å²	19.9	9%	0.092	11%	0.107	C	C	.	.	S	Bend	trans	-171	168	-176	-166.2	0	0	0	0	108.8	Y205 I223 L227 F228 G271 S272 T315 K316	Y205-T225 WeakPolarHBondContact CE1-O 3.35Å; I223-T225 PolarHBondContact O-N 3.1Å; T225-L227 VanDerWaalsContact C-N 3.32Å; T225-L227 VanDerWaalsContact CG2-O 3.3Å; T225-L227 WeakPolarHBondContact CG2-O 3.13Å; T225-L227 PolarHBondContact O-N 2.78Å; T225-F228 HydrophobicContact CG2-CB 3.76Å; T225-F228 HydrophobicContact CG2-CD1 4.15Å; T225-F228 HydrophobicContact CG2-CG 4.45Å; T225-G271 CarbonylContact O-C 3.57Å; T225-G271 VanDerWaalsContact O-CA 3.27Å; T225-G271 WeakPolarHBondContact O-CA 3.37Å; T225-S272 PolarHBondContact O-N 3.16Å; T225-T315 WeakPolarHBondContact CG2-OG1 3.35Å; T225-T315 WeakPolarHBondContact OG1-CB 3.28Å; T225-T315 PolarHBondContact OG1-OG1 2.98Å; T225-K316 HydrophobicContact CG2-CB 3.7Å; T225-K316 HydrophobicContact CG2-CD 4.01Å; T225-K316 HydrophobicContact CG2-CG 3.66Å
226	P	98.8	Very high	98.7	Very high	63 Å²	63	23.8 Å²	23.8	41%	0.409	12%	0.122	S	C	.	.	S	Bend	trans	-51.8	-46.1	175.7	-32.9	38.4	0	0	0	114.1	G271 S272 E275 T315	P226-G271 CarbonylContact O-C 3.55Å; P226-G271 WeakPolarHBondContact O-CA 3.48Å; P226-S272 PolarHBondContact O-N 2.62Å; P226-E275 HydrophobicContact CB-CG 4.15Å; P226-E275 WeakPolarHBondContact O-CB 3.36Å; P226-E275 VanDerWaalsContact O-CG 3.26Å; P226-E275 WeakPolarHBondContact O-CG 3.11Å; P226-T315 HydrophobicContact CB-CG2 4.35Å; P226-T315 WeakPolarHBondContact CD-OG1 3.49Å
227	L	98.9	Very high	98.6	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	131.5	177.4	178.7	63.4	0	0	0	111.2	T225 E275 L279 Y308 L309 P314 T315 K316	T225-L227 VanDerWaalsContact C-N 3.32Å; T225-L227 VanDerWaalsContact CG2-O 3.3Å; T225-L227 WeakPolarHBondContact CG2-O 3.13Å; T225-L227 PolarHBondContact O-N 2.78Å; L227-E275 HydrophobicContact CB-CB 4.26Å; L227-E275 HydrophobicContact CB-CG 4.42Å; L227-L279 HydrophobicContact CD1-CD1 3.7Å; L227-Y308 HydrophobicContact CD2-CE1 4.02Å; L227-L309 HydrophobicContact CD1-CD2 4.31Å; L227-L309 HydrophobicContact CD2-CD2 3.87Å; L227-L309 HydrophobicContact CG-CD2 4.13Å; L227-P314 HydrophobicContact CG-CB 4.31Å; L227-P314 CarbonylContact O-C 3.45Å; L227-P314 WeakPolarHBondContact O-CA 3.24Å; L227-T315 PolarHBondContact N-OG1 2.79Å; L227-T315 PolarHBondContact O-N 2.99Å; L227-T315 PolarHBondContact O-OG1 2.83Å; L227-K316 PolarHBondContact O-N 2.86Å
228	F	98.9	Very high	98.6	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.4	171.7	71.7	-94.9	0	0	0	113.1	V207 I223 T225 F268 F269 G270 K316 L318	V207-F228 HydrophobicContact CG1-CZ 4.32Å; V207-F228 HydrophobicContact CG2-CE1 4.4Å; V207-F228 HydrophobicContact CG2-CZ 4.17Å; I223-F228 HydrophobicContact CD1-CZ 4.28Å; I223-F228 HydrophobicContact CG1-CE1 4.47Å; I223-F228 WeakPolarHBondContact O-CD1 3.32Å; T225-F228 HydrophobicContact CG2-CB 3.76Å; T225-F228 HydrophobicContact CG2-CD1 4.15Å; T225-F228 HydrophobicContact CG2-CG 4.45Å; F228-F268 AromaticContact CE2-CD1 3.67Å; F228-F268 HydrophobicContact CE2-CD1 3.67Å; F228-F268 AromaticContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CZ-CD1 4.21Å; F228-F268 AromaticContact CZ-CE1 3.83Å; F228-F268 HydrophobicContact CZ-CE1 3.83Å; F228-F269 VanDerWaalsContact CZ-C 3.46Å; F228-G270 WeakPolarHBondContact CD1-O 3.41Å; F228-G270 VanDerWaalsContact CZ-CA 3.41Å; F228-G270 VanDerWaalsContact CZ-N 3.32Å; F228-G270 PolarHBondContact N-O 2.67Å; F228-G270 PolarHBondContact O-N 3.38Å; F228-K316 VanDerWaalsContact CA-O 3.24Å; F228-K316 WeakPolarHBondContact CA-O 3.37Å; F228-K316 HydrophobicContact CB-CB 4.27Å; F228-K316 VanDerWaalsContact CB-O 3.29Å; F228-K316 WeakPolarHBondContact CB-O 3.22Å; F228-L318 HydrophobicContact CD2-CD1 3.62Å; F228-L318 HydrophobicContact CD2-CG 3.82Å; F228-L318 HydrophobicContact CE2-CD1 3.61Å; F228-L318 HydrophobicContact CE2-CG 4.33Å; F228-L318 HydrophobicContact CG-CG 4.48Å; F228-L318 HydrophobicContact CZ-CD1 4.5Å
229	G	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	159.2	166	0	0	0	0	0	110.3	V317 L318	G229-V317 CarbonylContact O-C 3.52Å; G229-V317 WeakPolarHBondContact O-CA 3.42Å; G229-L318 PolarHBondContact O-N 3.44Å
230	T	98.9	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.4	-177.8	-53.9	0	0	0	0	110.3	H232 Y264 L265 F268 L318 L323	T230-H232 PolarHBondContact O-N 3.17Å; T230-Y264 CarbonylContact O-C 3.58Å; T230-Y264 VanDerWaalsContact O-CA 3.24Å; T230-Y264 WeakPolarHBondContact O-CA 3.42Å; T230-L265 PolarHBondContact O-N 2.78Å; T230-F268 VanDerWaalsContact CB-O 3.27Å; T230-F268 WeakPolarHBondContact CB-O 3.4Å; T230-F268 PolarHBondContact N-O 3.29Å; T230-F268 PolarHBondContact OG1-O 3.18Å; T230-L318 HydrophobicContact CG2-CB 3.97Å; T230-L323 HydrophobicContact CG2-CB 4.16Å
231	L	98.9	Very high	98.4	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	127.5	175	-64.4	-178.6	0	0	0	110.3	I93 F262 V317 L318 P320	I93-L231 HydrophobicContact CG2-CD1 4.23Å; L231-F262 HydrophobicContact CD2-CB 3.45Å; L231-F262 VanDerWaalsContact CD2-CB 3.45Å; L231-F262 HydrophobicContact CD2-CD1 3.49Å; L231-F262 VanDerWaalsContact CD2-CD1 3.49Å; L231-F262 HydrophobicContact CD2-CD2 4.29Å; L231-F262 HydrophobicContact CD2-CE1 4.3Å; L231-F262 HydrophobicContact CD2-CG 3.48Å; L231-F262 VanDerWaalsContact CD2-CG 3.48Å; L231-V317 HydrophobicContact CD1-CG1 4.35Å; L231-V317 HydrophobicContact CD2-CG1 3.68Å; L231-V317 HydrophobicContact CG-CG1 3.67Å; L231-L318 WeakPolarHBondContact CG-O 3.4Å; L231-L318 PolarHBondContact N-O 2.84Å; L231-P320 HydrophobicContact CB-CG 4.1Å
232	H	98.8	Very high	98.4	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.185	22%	0.216	C	C	.	.			trans	-66.9	131.6	177.3	-172.2	-66.2	0	0	0	110.7	T230 G234 F235 Y236 Y263 L265 E302	T230-H232 PolarHBondContact O-N 3.17Å; H232-G234 VanDerWaalsContact C-N 3.27Å; H232-G234 PolarHBondContact ND1-N 3.5Å; H232-G234 PolarHBondContact O-N 3.22Å; H232-F235 HydrophobicContact CB-CD2 4.26Å; H232-F235 AromaticContact CG-CD2 3.84Å; H232-F235 AromaticContact ND1-CD2 3.5Å; H232-F235 PolarHBondContact O-N 2.83Å; H232-Y236 PolarHBondContact O-N 3.42Å; H232-Y263 HydrophobicContact CB-CD1 3.56Å; H232-Y263 HydrophobicContact CB-CE1 4.22Å; H232-Y263 WeakPolarHBondContact CB-O 3.43Å; H232-Y263 AromaticContact CD2-CD1 3.95Å; H232-Y263 AromaticContact CD2-CE1 3.69Å; H232-Y263 AromaticContact CG-CD1 3.78Å; H232-Y263 PolarHBondContact N-O 2.82Å; H232-L265 HydrophobicContact CB-CB 3.98Å; H232-L265 HydrophobicContact CB-CD1 4.29Å; H232-L265 VanDerWaalsContact CD2-CD1 3.46Å; H232-L265 WeakPolarHBondContact CD2-CD1 3.23Å; H232-E302 IonicContact CD2-OE1 3.81Å; H232-E302 IonicContact CD2-OE2 3.76Å
233	P	98.3	Very high	98.4	Very high	9 Å²	9	36.1 Å²	36.1	6%	0.058	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-26	-171.6	29.9	-38.4	0	0	0	113.4	F235 Y236 L265 P320 L323 W324 L329	P233-F235 VanDerWaalsContact C-N 3.35Å; P233-Y236 WeakPolarHBondContact O-CD1 3.49Å; P233-Y236 VanDerWaalsContact O-CE1 3.27Å; P233-Y236 WeakPolarHBondContact O-CE1 3.2Å; P233-L265 VanDerWaalsContact CD-CD1 3.43Å; P233-L265 HydrophobicContact CG-CD1 4.32Å; P233-P320 HydrophobicContact CB-CB 4.31Å; P233-L323 HydrophobicContact CG-CD2 4.23Å; P233-W324 HydrophobicContact CB-CD2 4.18Å; P233-W324 HydrophobicContact CB-CE3 3.28Å; P233-W324 HydrophobicContact CB-CH2 4.41Å; P233-W324 HydrophobicContact CB-CZ3 3.41Å; P233-W324 VanDerWaalsContact CB-CZ3 3.41Å; P233-L329 HydrophobicContact CB-CD1 3.58Å; P233-L329 HydrophobicContact CG-CD1 4.11Å
234	G	98.1	Very high	98.4	Very high	37 Å²	37	38.3 Å²	38.3	38%	0.381	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-12.3	172	0	0	0	0	0	116.3	H232	H232-G234 VanDerWaalsContact C-N 3.27Å; H232-G234 PolarHBondContact ND1-N 3.5Å; H232-G234 PolarHBondContact O-N 3.22Å
235	F	98.4	Very high	98.4	Very high	37 Å²	37	38.5 Å²	38.5	16%	0.162	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-5.1	-168.1	-68	-75.5	0	0	0	115.5	H232 P233 G237 S238 F243 T244 Y263	H232-F235 HydrophobicContact CB-CD2 4.26Å; H232-F235 AromaticContact CG-CD2 3.84Å; H232-F235 AromaticContact ND1-CD2 3.5Å; H232-F235 PolarHBondContact O-N 2.83Å; P233-F235 VanDerWaalsContact C-N 3.35Å; F235-G237 PolarHBondContact O-N 2.9Å; F235-S238 WeakPolarHBondContact O-CB 3.44Å; F235-S238 PolarHBondContact O-N 2.7Å; F235-F243 HydrophobicContact CB-CD1 4.01Å; F235-F243 HydrophobicContact CB-CE1 3.98Å; F235-F243 AromaticContact CD1-CD1 3.99Å; F235-F243 HydrophobicContact CD1-CD1 3.99Å; F235-F243 HydrophobicContact CG-CD1 4.27Å; F235-F243 WeakPolarHBondContact O-CE1 3.28Å; F235-T244 HydrophobicContact CE1-CG2 4.13Å; F235-T244 HydrophobicContact CZ-CG2 3.63Å; F235-T244 WeakPolarHBondContact CZ-OG1 3.25Å; F235-Y263 HydrophobicContact CB-CD1 4.23Å; F235-Y263 HydrophobicContact CB-CG 4.27Å; F235-Y263 AromaticContact CD2-CD1 3.37Å; F235-Y263 HydrophobicContact CD2-CD1 3.37Å; F235-Y263 AromaticContact CD2-CE1 3.76Å; F235-Y263 HydrophobicContact CD2-CE1 3.76Å; F235-Y263 AromaticContact CD2-CG 3.98Å; F235-Y263 HydrophobicContact CD2-CG 3.98Å; F235-Y263 AromaticContact CE2-CD1 3.94Å; F235-Y263 HydrophobicContact CE2-CD1 3.94Å; F235-Y263 AromaticContact CE2-CE1 3.85Å; F235-Y263 HydrophobicContact CE2-CE1 3.85Å; F235-Y263 AromaticContact CG-CD1 4Å; F235-Y263 HydrophobicContact CG-CD1 4Å; F235-Y263 HydrophobicContact CG-CG 4.17Å
236	Y	97.4	Very high	98.4	Very high	86 Å²	86	38 Å²	38	34%	0.337	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.9	-174.9	72.9	-83.4	0	0	0	115.3	H232 P233 P320 W324 V334	H232-Y236 PolarHBondContact O-N 3.42Å; P233-Y236 WeakPolarHBondContact O-CD1 3.49Å; P233-Y236 VanDerWaalsContact O-CE1 3.27Å; P233-Y236 WeakPolarHBondContact O-CE1 3.2Å; Y236-P320 HydrophobicContact CD1-CB 4.4Å; Y236-P320 HydrophobicContact CD1-CG 3.71Å; Y236-P320 HydrophobicContact CD2-CG 4.19Å; Y236-P320 HydrophobicContact CE1-CG 4.43Å; Y236-P320 HydrophobicContact CG-CG 3.57Å; Y236-W324 HydrophobicContact CD1-CZ3 4.28Å; Y236-W324 AromaticContact CE1-CH2 3.78Å; Y236-W324 HydrophobicContact CE1-CH2 3.78Å; Y236-W324 AromaticContact CE1-CZ3 3.74Å; Y236-W324 HydrophobicContact CE1-CZ3 3.74Å; Y236-V334 HydrophobicContact CE2-CG1 4.14Å
237	G	96.7	Very high	98.4	Very high	72 Å²	72	37.8 Å²	37.8	74%	0.742	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	6.4	173.3	0	0	0	0	0	114.8	F235	F235-G237 PolarHBondContact O-N 2.9Å
238	S	98	Very high	98.4	Very high	50 Å²	50	42.6 Å²	42.6	35%	0.35	24%	0.237	S	C	.	.	S	Bend	trans	-87.9	155	-178.2	-64.5	0	0	0	0	112.1	F235 F243	F235-S238 WeakPolarHBondContact O-CB 3.44Å; F235-S238 PolarHBondContact O-N 2.7Å; S238-F243 WeakPolarHBondContact O-CE1 3.34Å
239	S	98.3	Very high	98.4	Very high	56 Å²	56	46.5 Å²	46.5	39%	0.392	26%	0.262	S	S	.	.			trans	-77.5	155.9	170	61.6	0	0	0	0	111.7	E241 A242 F243	S239-E241 VanDerWaalsContact CB-CD 3.42Å; S239-E241 WeakPolarHBondContact CB-OE1 3.24Å; S239-E241 WeakPolarHBondContact CB-OE2 3.38Å; S239-E241 PolarHBondContact O-N 3.27Å; S239-E241 PolarHBondContact OG-OE1 3.01Å; S239-E241 PolarHBondContact OG-OE2 3.21Å; S239-A242 WeakPolarHBondContact O-CB 3.24Å; S239-A242 PolarHBondContact O-N 2.83Å; S239-F243 PolarHBondContact O-N 3.13Å
240	R	98.1	Very high	98.4	Very high	119 Å²	119	52.4 Å²	52.4	45%	0.449	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.4	-170.5	71.5	173	69.3	85	-1.8	114.2	A242 F243 R247 D258 G260	R240-A242 VanDerWaalsContact C-N 3.26Å; R240-A242 PolarHBondContact O-N 2.69Å; R240-F243 VanDerWaalsContact CA-CD2 3.49Å; R240-F243 HydrophobicContact CB-CD2 3.97Å; R240-F243 HydrophobicContact CB-CE2 3.99Å; R240-F243 WeakPolarHBondContact O-CB 3.28Å; R240-F243 PolarHBondContact O-N 3.19Å; R240-R247 PolarHBondContact O-NH2 3.26Å; R240-D258 WeakPolarHBondContact CD-O 3.41Å; R240-G260 PolarHBondContact NE-O 2.97Å
241	E	97.4	Very high	98.4	Very high	98 Å²	98	52.6 Å²	52.6	46%	0.458	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.7	177.3	63.6	-82.9	-172.4	0	0	112.3	S239 K257	S239-E241 VanDerWaalsContact CB-CD 3.42Å; S239-E241 WeakPolarHBondContact CB-OE1 3.24Å; S239-E241 WeakPolarHBondContact CB-OE2 3.38Å; S239-E241 PolarHBondContact O-N 3.27Å; S239-E241 PolarHBondContact OG-OE1 3.01Å; S239-E241 PolarHBondContact OG-OE2 3.21Å; E241-K257 HydrophobicContact CB-CD 4.25Å; E241-K257 PolarHBondContact O-NZ 2.76Å
242	A	98.4	Very high	98.4	Very high	52 Å²	52	56.4 Å²	56.4	43%	0.43	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.1	175	0	0	0	0	0	112.7	S239 R240 T244	S239-A242 WeakPolarHBondContact O-CB 3.24Å; S239-A242 PolarHBondContact O-N 2.83Å; R240-A242 VanDerWaalsContact C-N 3.26Å; R240-A242 PolarHBondContact O-N 2.69Å; A242-T244 PolarHBondContact O-N 3.1Å
243	F	98.8	Very high	98.4	Very high	11 Å²	11	54.5 Å²	54.5	5%	0.048	30%	0.3	C	S	.	.	S	Bend	trans	-58.4	134.1	173.9	-66.1	-16.3	0	0	0	111.2	F235 S238 S239 R240 Y245 R247 Y263	F235-F243 HydrophobicContact CB-CD1 4.01Å; F235-F243 HydrophobicContact CB-CE1 3.98Å; F235-F243 AromaticContact CD1-CD1 3.99Å; F235-F243 HydrophobicContact CD1-CD1 3.99Å; F235-F243 HydrophobicContact CG-CD1 4.27Å; F235-F243 WeakPolarHBondContact O-CE1 3.28Å; S238-F243 WeakPolarHBondContact O-CE1 3.34Å; S239-F243 PolarHBondContact O-N 3.13Å; R240-F243 VanDerWaalsContact CA-CD2 3.49Å; R240-F243 HydrophobicContact CB-CD2 3.97Å; R240-F243 HydrophobicContact CB-CE2 3.99Å; R240-F243 WeakPolarHBondContact O-CB 3.28Å; R240-F243 PolarHBondContact O-N 3.19Å; F243-Y245 HydrophobicContact CB-CD1 4.48Å; F243-Y245 HydrophobicContact CB-CD2 4.03Å; F243-Y245 HydrophobicContact CB-CE1 4.35Å; F243-Y245 HydrophobicContact CB-CE2 3.88Å; F243-Y245 HydrophobicContact CB-CG 4.33Å; F243-Y245 HydrophobicContact CD2-CE1 4.39Å; F243-Y245 AromaticContact CD2-CE2 3.65Å; F243-Y245 HydrophobicContact CD2-CE2 3.65Å; F243-Y245 AromaticContact CD2-CZ 3.54Å; F243-Y245 VanDerWaalsContact CD2-OH 3.3Å; F243-Y245 WeakPolarHBondContact CD2-OH 3.46Å; F243-Y245 HydrophobicContact CG-CE2 4.28Å; F243-Y245 PolarHBondContact O-N 2.74Å; F243-R247 PolarHBondContact O-NH2 3.22Å; F243-Y263 HydrophobicContact CB-CD2 3.79Å; F243-Y263 HydrophobicContact CB-CG 4.41Å; F243-Y263 HydrophobicContact CD1-CG 4.47Å; F243-Y263 HydrophobicContact CG-CD2 4.2Å; F243-Y263 HydrophobicContact CG-CG 4.38Å
244	T	98.7	Very high	98.4	Very high	45 Å²	45	57.5 Å²	57.5	28%	0.276	31%	0.311	S	S	.	.			trans	-83.5	38.1	-176.6	52.1	0	0	0	0	112.7	F235 A242 Y263 W299	F235-T244 HydrophobicContact CE1-CG2 4.13Å; F235-T244 HydrophobicContact CZ-CG2 3.63Å; F235-T244 WeakPolarHBondContact CZ-OG1 3.25Å; A242-T244 PolarHBondContact O-N 3.1Å; T244-Y263 VanDerWaalsContact OG1-CZ 3.24Å; T244-Y263 PolarHBondContact OG1-OH 3.47Å; T244-Y263 VanDerWaalsContact OG1-OH 3.1Å; T244-W299 VanDerWaalsContact CB-NE1 3.28Å; T244-W299 PolarHBondContact OG1-NE1 3.25Å
245	Y	98.9	Very high	98.4	Very high	8 Å²	8	55.8 Å²	55.8	3%	0.031	29%	0.293	C	S	.	.			trans	-58.1	158.8	171.3	-56.4	-45	0	0	0	111.3	F243 R247 I255 F262 Y263 N306	F243-Y245 HydrophobicContact CB-CD1 4.48Å; F243-Y245 HydrophobicContact CB-CD2 4.03Å; F243-Y245 HydrophobicContact CB-CE1 4.35Å; F243-Y245 HydrophobicContact CB-CE2 3.88Å; F243-Y245 HydrophobicContact CB-CG 4.33Å; F243-Y245 HydrophobicContact CD2-CE1 4.39Å; F243-Y245 AromaticContact CD2-CE2 3.65Å; F243-Y245 HydrophobicContact CD2-CE2 3.65Å; F243-Y245 AromaticContact CD2-CZ 3.54Å; F243-Y245 VanDerWaalsContact CD2-OH 3.3Å; F243-Y245 WeakPolarHBondContact CD2-OH 3.46Å; F243-Y245 HydrophobicContact CG-CE2 4.28Å; F243-Y245 PolarHBondContact O-N 2.74Å; Y245-R247 WeakPolarHBondContact O-CD 3.3Å; Y245-R247 VanDerWaalsContact O-CG 3.3Å; Y245-R247 WeakPolarHBondContact O-CG 3.48Å; Y245-R247 PolarHBondContact O-N 2.64Å; Y245-R247 PolarHBondContact O-NE 3.09Å; Y245-I255 HydrophobicContact CD1-CD1 3.78Å; Y245-I255 HydrophobicContact CD2-CB 3.8Å; Y245-I255 HydrophobicContact CD2-CD1 3.88Å; Y245-I255 HydrophobicContact CD2-CG1 4.43Å; Y245-I255 HydrophobicContact CD2-CG2 3.62Å; Y245-I255 HydrophobicContact CE1-CD1 4.03Å; Y245-I255 HydrophobicContact CE2-CD1 4.14Å; Y245-I255 HydrophobicContact CE2-CG2 3.92Å; Y245-I255 HydrophobicContact CG-CB 4.06Å; Y245-I255 HydrophobicContact CG-CD1 3.7Å; Y245-I255 HydrophobicContact CG-CG1 4.37Å; Y245-I255 HydrophobicContact CG-CG2 4.35Å; Y245-F262 PolarHBondContact OH-O 3.3Å; Y245-Y263 AromaticContact CD1-CD2 3.49Å; Y245-Y263 HydrophobicContact CD1-CD2 3.49Å; Y245-Y263 VanDerWaalsContact CD1-CD2 3.49Å; Y245-Y263 AromaticContact CD1-CE2 3.6Å; Y245-Y263 HydrophobicContact CD1-CE2 3.6Å; Y245-Y263 AromaticContact CE1-CD2 3.34Å; Y245-Y263 HydrophobicContact CE1-CD2 3.34Å; Y245-Y263 AromaticContact CE1-CE2 3.94Å; Y245-Y263 HydrophobicContact CE1-CE2 3.94Å; Y245-Y263 HydrophobicContact CE1-CG 4.29Å; Y245-Y263 HydrophobicContact CG-CD2 4.44Å; Y245-N306 HydrophobicContact CD1-CB 3.82Å; Y245-N306 HydrophobicContact CE1-CB 3.67Å; Y245-N306 WeakPolarHBondContact CE1-OD1 3.43Å
246	E	98.9	Very high	98.5	Very high	5 Å²	5	55 Å²	55	2%	0.023	29%	0.292	C	S	.	.			trans	-60.8	124.9	166.9	179.5	54.3	-106.7	0	0	110.2	R248 A253 Y254 I255 A297 V298	E246-R248 WeakPolarHBondContact OE1-CB 3.29Å; E246-R248 WeakPolarHBondContact OE1-CG 3.24Å; E246-R248 IonicContact OE1-CZ 2.87Å; E246-R248 PolarHBondContact OE1-N 3.24Å; E246-R248 IonicContact OE1-NE 3.85Å; E246-R248 PolarHBondContact OE1-NE 3.36Å; E246-R248 IonicContact OE1-NH2 3.48Å; E246-R248 IonicContact OE2-CZ 3.85Å; E246-R248 IonicContact OE2-NE 3.74Å; E246-R248 PolarHBondContact OE2-NE 2.9Å; E246-R248 IonicContact OE2-NH2 3.75Å; E246-R248 PolarHBondContact OE2-NH2 2.68Å; E246-A253 HydrophobicContact CB-CB 3.84Å; E246-A253 HydrophobicContact CG-CB 4.22Å; E246-Y254 WeakPolarHBondContact O-CA 3.22Å; E246-I255 PolarHBondContact O-N 2.89Å; E246-A297 HydrophobicContact CG-CB 4.5Å; E246-A297 WeakPolarHBondContact OE2-CA 3.31Å; E246-V298 HydrophobicContact CB-CG1 4.32Å; E246-V298 PolarHBondContact OE2-N 3.03Å
247	R	98.8	Very high	98.5	Very high	58 Å²	58	56.6 Å²	56.6	22%	0.219	30%	0.3	C	S	.	.			trans	-112.5	-4.1	-175.2	-55.8	-49.4	-176.6	160.4	3.4	113.1	R240 F243 Y245 P249 Y254 I255 P256	R240-R247 PolarHBondContact O-NH2 3.26Å; F243-R247 PolarHBondContact O-NH2 3.22Å; Y245-R247 WeakPolarHBondContact O-CD 3.3Å; Y245-R247 VanDerWaalsContact O-CG 3.3Å; Y245-R247 WeakPolarHBondContact O-CG 3.48Å; Y245-R247 PolarHBondContact O-N 2.64Å; Y245-R247 PolarHBondContact O-NE 3.09Å; R247-P249 WeakPolarHBondContact O-CD 3.27Å; R247-Y254 VanDerWaalsContact C-CD2 3.48Å; R247-Y254 WeakPolarHBondContact O-CD2 3.5Å; R247-Y254 WeakPolarHBondContact O-CE2 3.42Å; R247-I255 VanDerWaalsContact CD-O 3.31Å; R247-I255 WeakPolarHBondContact CD-O 3.37Å; R247-I255 PolarHBondContact NH1-O 2.97Å; R247-P256 VanDerWaalsContact NH1-C 3.28Å; R247-P256 PolarHBondContact NH1-O 2.76Å
248	R	98.8	Very high	98.6	Very high	103 Å²	103	59.2 Å²	59.2	39%	0.389	30%	0.297	S	S	.	.			trans	-81	114.8	173.7	-65.5	172.1	-68.1	171.4	2	109.2	E246 Q250 S251 I295 E296	E246-R248 WeakPolarHBondContact OE1-CB 3.29Å; E246-R248 WeakPolarHBondContact OE1-CG 3.24Å; E246-R248 IonicContact OE1-CZ 2.87Å; E246-R248 PolarHBondContact OE1-N 3.24Å; E246-R248 IonicContact OE1-NE 3.85Å; E246-R248 PolarHBondContact OE1-NE 3.36Å; E246-R248 IonicContact OE1-NH2 3.48Å; E246-R248 IonicContact OE2-CZ 3.85Å; E246-R248 IonicContact OE2-NE 3.74Å; E246-R248 PolarHBondContact OE2-NE 2.9Å; E246-R248 IonicContact OE2-NH2 3.75Å; E246-R248 PolarHBondContact OE2-NH2 2.68Å; R248-Q250 PolarHBondContact O-N 3.22Å; R248-S251 PolarHBondContact O-N 3.44Å; R248-S251 VanDerWaalsContact O-N 3.1Å; R248-I295 HydrophobicContact CB-CD1 4.15Å; R248-E296 PolarHBondContact NH2-O 3.37Å
249	P	98.7	Very high	98.6	Very high	83 Å²	83	59.5 Å²	59.5	54%	0.539	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.2	-177.8	-23.8	35.1	0	0	0	114.9	R247 S251 Y254	R247-P249 WeakPolarHBondContact O-CD 3.27Å; P249-S251 VanDerWaalsContact C-N 3.28Å; P249-S251 PolarHBondContact O-N 2.84Å; P249-Y254 HydrophobicContact CB-CD1 4.27Å; P249-Y254 HydrophobicContact CB-CE1 4.29Å; P249-Y254 HydrophobicContact CB-CG 4.39Å; P249-Y254 HydrophobicContact CG-CD2 4.34Å; P249-Y254 HydrophobicContact CG-CE1 4.35Å; P249-Y254 HydrophobicContact CG-CE2 4.01Å
250	Q	98.8	Very high	98.6	Very high	125 Å²	125	57.3 Å²	57.3	58%	0.584	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-23.1	177.5	-59.3	79	9.5	0	0	112.8	R248 I295	R248-Q250 PolarHBondContact O-N 3.22Å; Q250-I295 HydrophobicContact CB-CD1 4.09Å
251	S	98.9	Very high	98.6	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-86.8	142	178.8	167.9	0	0	0	0	111.6	R248 P249 A253 Y254 D290	R248-S251 PolarHBondContact O-N 3.44Å; R248-S251 VanDerWaalsContact O-N 3.1Å; P249-S251 VanDerWaalsContact C-N 3.28Å; P249-S251 PolarHBondContact O-N 2.84Å; S251-A253 PolarHBondContact O-N 2.88Å; S251-A253 WeakPolarHBondContact OG-CB 3.37Å; S251-A253 PolarHBondContact OG-N 3.15Å; S251-Y254 VanDerWaalsContact O-CB 3.24Å; S251-Y254 WeakPolarHBondContact O-CB 3.2Å; S251-Y254 PolarHBondContact O-N 2.99Å; S251-D290 WeakPolarHBondContact CA-OD1 3.38Å; S251-D290 WeakPolarHBondContact CB-OD2 3.48Å; S251-D290 PolarHBondContact OG-OD2 3.46Å
252	Q	98.9	Very high	98.7	Very high	87 Å²	87	51.4 Å²	51.4	41%	0.407	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.8	170.3	-65	-54.4	-60.9	0	0	112.5	Y254 A286 V289 D290 K307	Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 PolarHBondContact O-N 2.82Å; Q252-A286 HydrophobicContact CB-CB 3.81Å; Q252-A286 HydrophobicContact CG-CB 4.35Å; Q252-V289 HydrophobicContact CG-CB 3.79Å; Q252-V289 HydrophobicContact CG-CG1 3.6Å; Q252-D290 WeakPolarHBondContact CG-OD1 3.4Å; Q252-D290 PolarHBondContact N-OD1 3.13Å; Q252-K307 PolarHBondContact O-NZ 3.49Å
253	A	98.9	Very high	98.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-1	177.2	0	0	0	0	0	114.1	E246 S251 I255 A297	E246-A253 HydrophobicContact CB-CB 3.84Å; E246-A253 HydrophobicContact CG-CB 4.22Å; S251-A253 PolarHBondContact O-N 2.88Å; S251-A253 WeakPolarHBondContact OG-CB 3.37Å; S251-A253 PolarHBondContact OG-N 3.15Å; A253-I255 PolarHBondContact O-N 2.84Å; A253-A297 HydrophobicContact CB-CB 3.94Å
254	Y	98.9	Very high	98.7	Very high	73 Å²	73	48.7 Å²	48.7	29%	0.286	24%	0.236	S	C	.	.			trans	-54.8	131.6	-177.1	175	-118	0	0	0	113.4	E246 R247 P249 S251 Q252 P256 K307	E246-Y254 WeakPolarHBondContact O-CA 3.22Å; R247-Y254 VanDerWaalsContact C-CD2 3.48Å; R247-Y254 WeakPolarHBondContact O-CD2 3.5Å; R247-Y254 WeakPolarHBondContact O-CE2 3.42Å; P249-Y254 HydrophobicContact CB-CD1 4.27Å; P249-Y254 HydrophobicContact CB-CE1 4.29Å; P249-Y254 HydrophobicContact CB-CG 4.39Å; P249-Y254 HydrophobicContact CG-CD2 4.34Å; P249-Y254 HydrophobicContact CG-CE1 4.35Å; P249-Y254 HydrophobicContact CG-CE2 4.01Å; S251-Y254 VanDerWaalsContact O-CB 3.24Å; S251-Y254 WeakPolarHBondContact O-CB 3.2Å; S251-Y254 PolarHBondContact O-N 2.99Å; Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 PolarHBondContact O-N 2.82Å; Y254-P256 HydrophobicContact CE1-CG 3.69Å; Y254-K307 PolarHBondContact O-NZ 3.44Å
255	I	98.9	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.			trans	-130.1	123.3	169.9	-59	175.7	0	0	0	109	Y245 E246 R247 A253 E259 N306 K307 L310	Y245-I255 HydrophobicContact CD1-CD1 3.78Å; Y245-I255 HydrophobicContact CD2-CB 3.8Å; Y245-I255 HydrophobicContact CD2-CD1 3.88Å; Y245-I255 HydrophobicContact CD2-CG1 4.43Å; Y245-I255 HydrophobicContact CD2-CG2 3.62Å; Y245-I255 HydrophobicContact CE1-CD1 4.03Å; Y245-I255 HydrophobicContact CE2-CD1 4.14Å; Y245-I255 HydrophobicContact CE2-CG2 3.92Å; Y245-I255 HydrophobicContact CG-CB 4.06Å; Y245-I255 HydrophobicContact CG-CD1 3.7Å; Y245-I255 HydrophobicContact CG-CG1 4.37Å; Y245-I255 HydrophobicContact CG-CG2 4.35Å; E246-I255 PolarHBondContact O-N 2.89Å; R247-I255 VanDerWaalsContact CD-O 3.31Å; R247-I255 WeakPolarHBondContact CD-O 3.37Å; R247-I255 PolarHBondContact NH1-O 2.97Å; A253-I255 PolarHBondContact O-N 2.84Å; I255-E259 HydrophobicContact CG2-CB 3.84Å; I255-N306 HydrophobicContact CD1-CB 4.26Å; I255-K307 HydrophobicContact CD1-CB 4.47Å; I255-K307 HydrophobicContact CG1-CD 4.28Å; I255-L310 HydrophobicContact CB-CD2 4.45Å; I255-L310 HydrophobicContact CD1-CD2 3.96Å; I255-L310 HydrophobicContact CG1-CD2 3.94Å; I255-L310 HydrophobicContact CG2-CD2 3.72Å
256	P	98.6	Very high	98.5	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.143	23%	0.226	C	C	.	.			trans	-58.3	159.2	173	-28.1	37.3	0	0	0	114.3	R247 Y254 D258 E259	R247-P256 VanDerWaalsContact NH1-C 3.28Å; R247-P256 PolarHBondContact NH1-O 2.76Å; Y254-P256 HydrophobicContact CE1-CG 3.69Å; P256-D258 VanDerWaalsContact C-N 3.26Å; P256-D258 WeakPolarHBondContact CB-OD1 3.36Å; P256-D258 PolarHBondContact O-N 2.91Å; P256-E259 HydrophobicContact CB-CB 4.39Å; P256-E259 HydrophobicContact CB-CG 4.23Å; P256-E259 HydrophobicContact CG-CG 4.29Å; P256-E259 WeakPolarHBondContact CG-OE1 3.38Å; P256-E259 PolarHBondContact O-N 3.42Å
257	K	98.4	Very high	98.4	Very high	119 Å²	119	46.8 Å²	46.8	52%	0.517	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27	-176.4	-79.2	-70.6	-168.5	179.5	0	113.6	E241	E241-K257 HydrophobicContact CB-CD 4.25Å; E241-K257 PolarHBondContact O-NZ 2.76Å
258	D	98.4	Very high	98.4	Very high	127 Å²	127	44 Å²	44	68%	0.679	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-8	178.7	58.1	-25.5	0	0	0	113.4	R240 P256	R240-D258 WeakPolarHBondContact CD-O 3.41Å; P256-D258 VanDerWaalsContact C-N 3.26Å; P256-D258 WeakPolarHBondContact CB-OD1 3.36Å; P256-D258 PolarHBondContact O-N 2.91Å
259	E	98.8	Very high	98.4	Very high	56 Å²	56	39.2 Å²	39.2	26%	0.262	20%	0.197	S	C	.	.			trans	-99.6	157.3	173.5	-67.9	-167.9	-124.6	0	0	112.4	I255 P256 L310 R311	I255-E259 HydrophobicContact CG2-CB 3.84Å; P256-E259 HydrophobicContact CB-CB 4.39Å; P256-E259 HydrophobicContact CB-CG 4.23Å; P256-E259 HydrophobicContact CG-CG 4.29Å; P256-E259 WeakPolarHBondContact CG-OE1 3.38Å; P256-E259 PolarHBondContact O-N 3.42Å; E259-L310 HydrophobicContact CB-CD2 4.29Å; E259-R311 IonicContact OE1-NH2 3.5Å; E259-R311 PolarHBondContact OE1-NH2 3.19Å; E259-R311 IonicContact OE2-CZ 3.88Å; E259-R311 IonicContact OE2-NH1 3.49Å; E259-R311 PolarHBondContact OE2-NH1 2.92Å; E259-R311 IonicContact OE2-NH2 3.69Å; E259-R311 PolarHBondContact OE2-NH2 3.29Å
260	G	98.3	Very high	98.4	Very high	9 Å²	9	35.2 Å²	35.2	9%	0.093	17%	0.172	C	C	.	.			trans	120.8	127.8	178.8	0	0	0	0	0	113	R240	R240-G260 PolarHBondContact NE-O 2.97Å
261	D	98.4	Very high	98.4	Very high	56 Å²	56	29.3 Å²	29.3	30%	0.299	14%	0.144	S	C	.	.	S	Bend	trans	-90	-53.8	173	-45.5	-78.6	0	0	0	110.7	W89 K313	W89-D261 HydrophobicContact CH2-CB 3.74Å; W89-D261 HydrophobicContact CZ3-CB 3.68Å; D261-K313 IonicContact OD1-NZ 3.38Å; D261-K313 PolarHBondContact OD1-NZ 3.41Å; D261-K313 IonicContact OD2-NZ 3.44Å; D261-K313 PolarHBondContact OD2-NZ 3.34Å
262	F	98.7	Very high	98.4	Very high	37 Å²	37	30.5 Å²	30.5	16%	0.162	15%	0.152	C	C	.	.			trans	-146.2	154	-178	-57.7	-76.2	0	0	0	110.7	T87 W89 I93 L231 Y245 Y264	T87-F262 HydrophobicContact CG2-CE2 3.89Å; T87-F262 HydrophobicContact CG2-CZ 4.29Å; W89-F262 AromaticContact CH2-CD2 3.84Å; W89-F262 HydrophobicContact CH2-CD2 3.84Å; W89-F262 AromaticContact CH2-CE2 3.58Å; W89-F262 HydrophobicContact CH2-CE2 3.58Å; W89-F262 HydrophobicContact CZ2-CE2 4.33Å; W89-F262 HydrophobicContact CZ3-CE2 4.21Å; I93-F262 HydrophobicContact CD1-CE1 4.32Å; I93-F262 HydrophobicContact CD1-CZ 3.85Å; L231-F262 HydrophobicContact CD2-CB 3.45Å; L231-F262 VanDerWaalsContact CD2-CB 3.45Å; L231-F262 HydrophobicContact CD2-CD1 3.49Å; L231-F262 VanDerWaalsContact CD2-CD1 3.49Å; L231-F262 HydrophobicContact CD2-CD2 4.29Å; L231-F262 HydrophobicContact CD2-CE1 4.3Å; L231-F262 HydrophobicContact CD2-CG 3.48Å; L231-F262 VanDerWaalsContact CD2-CG 3.48Å; Y245-F262 PolarHBondContact OH-O 3.3Å; F262-Y264 HydrophobicContact CB-CD1 4.45Å; F262-Y264 HydrophobicContact CB-CE1 3.99Å; F262-Y264 HydrophobicContact CB-CE2 4.21Å; F262-Y264 HydrophobicContact CD2-CE1 4.26Å; F262-Y264 AromaticContact CD2-CZ 3.97Å; F262-Y264 WeakPolarHBondContact CD2-OH 3.27Å; F262-Y264 WeakPolarHBondContact O-CD2 3.45Å
263	Y	98.9	Very high	98.4	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	14%	0.135	C	C	.	.			trans	-88.6	106	167	-163.2	-96.1	0	0	0	109.6	H232 F235 F243 T244 Y245 W299 E302	H232-Y263 HydrophobicContact CB-CD1 3.56Å; H232-Y263 HydrophobicContact CB-CE1 4.22Å; H232-Y263 WeakPolarHBondContact CB-O 3.43Å; H232-Y263 AromaticContact CD2-CD1 3.95Å; H232-Y263 AromaticContact CD2-CE1 3.69Å; H232-Y263 AromaticContact CG-CD1 3.78Å; H232-Y263 PolarHBondContact N-O 2.82Å; F235-Y263 HydrophobicContact CB-CD1 4.23Å; F235-Y263 HydrophobicContact CB-CG 4.27Å; F235-Y263 AromaticContact CD2-CD1 3.37Å; F235-Y263 HydrophobicContact CD2-CD1 3.37Å; F235-Y263 AromaticContact CD2-CE1 3.76Å; F235-Y263 HydrophobicContact CD2-CE1 3.76Å; F235-Y263 AromaticContact CD2-CG 3.98Å; F235-Y263 HydrophobicContact CD2-CG 3.98Å; F235-Y263 AromaticContact CE2-CD1 3.94Å; F235-Y263 HydrophobicContact CE2-CD1 3.94Å; F235-Y263 AromaticContact CE2-CE1 3.85Å; F235-Y263 HydrophobicContact CE2-CE1 3.85Å; F235-Y263 AromaticContact CG-CD1 4Å; F235-Y263 HydrophobicContact CG-CD1 4Å; F235-Y263 HydrophobicContact CG-CG 4.17Å; F243-Y263 HydrophobicContact CB-CD2 3.79Å; F243-Y263 HydrophobicContact CB-CG 4.41Å; F243-Y263 HydrophobicContact CD1-CG 4.47Å; F243-Y263 HydrophobicContact CG-CD2 4.2Å; F243-Y263 HydrophobicContact CG-CG 4.38Å; T244-Y263 VanDerWaalsContact OG1-CZ 3.24Å; T244-Y263 PolarHBondContact OG1-OH 3.47Å; T244-Y263 VanDerWaalsContact OG1-OH 3.1Å; Y245-Y263 AromaticContact CD1-CD2 3.49Å; Y245-Y263 HydrophobicContact CD1-CD2 3.49Å; Y245-Y263 VanDerWaalsContact CD1-CD2 3.49Å; Y245-Y263 AromaticContact CD1-CE2 3.6Å; Y245-Y263 HydrophobicContact CD1-CE2 3.6Å; Y245-Y263 AromaticContact CE1-CD2 3.34Å; Y245-Y263 HydrophobicContact CE1-CD2 3.34Å; Y245-Y263 AromaticContact CE1-CE2 3.94Å; Y245-Y263 HydrophobicContact CE1-CE2 3.94Å; Y245-Y263 HydrophobicContact CE1-CG 4.29Å; Y245-Y263 HydrophobicContact CG-CD2 4.44Å; Y263-W299 VanDerWaalsContact OH-CD1 3.28Å; Y263-E302 WeakPolarHBondContact CE1-OE1 3.14Å; Y263-E302 VanDerWaalsContact CZ-OE1 3.25Å; Y263-E302 PolarHBondContact OH-OE1 3.17Å
264	Y	98.9	Very high	98.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	150.1	178.9	-55.6	-76.4	0	0	0	111.2	T230 F262 N306 L309 P314 V317	T230-Y264 CarbonylContact O-C 3.58Å; T230-Y264 VanDerWaalsContact O-CA 3.24Å; T230-Y264 WeakPolarHBondContact O-CA 3.42Å; F262-Y264 HydrophobicContact CB-CD1 4.45Å; F262-Y264 HydrophobicContact CB-CE1 3.99Å; F262-Y264 HydrophobicContact CB-CE2 4.21Å; F262-Y264 HydrophobicContact CD2-CE1 4.26Å; F262-Y264 AromaticContact CD2-CZ 3.97Å; F262-Y264 WeakPolarHBondContact CD2-OH 3.27Å; F262-Y264 WeakPolarHBondContact O-CD2 3.45Å; Y264-N306 WeakPolarHBondContact CD2-OD1 3.27Å; Y264-N306 PolarHBondContact N-OD1 3.4Å; Y264-N306 PolarHBondContact O-ND2 3.48Å; Y264-L309 HydrophobicContact CD1-CD1 4.01Å; Y264-L309 HydrophobicContact CD2-CB 3.75Å; Y264-L309 HydrophobicContact CD2-CD1 3.62Å; Y264-L309 HydrophobicContact CD2-CG 4.34Å; Y264-L309 HydrophobicContact CE1-CD1 4.47Å; Y264-L309 HydrophobicContact CE2-CB 3.66Å; Y264-L309 HydrophobicContact CE2-CD1 4.12Å; Y264-L309 HydrophobicContact CG-CD1 3.53Å; Y264-P314 HydrophobicContact CE1-CG 4.24Å; Y264-V317 HydrophobicContact CE1-CG1 4.02Å; Y264-V317 HydrophobicContact CE1-CG2 4.06Å
265	L	95.3	Very high	98.4	Very high	13 Å²	13	29.7 Å²	29.7	7%	0.068	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.6	-175.3	-173.7	147.8	0	0	0	112.5	T230 H232 P233 G267 E302 L305 L323	T230-L265 PolarHBondContact O-N 2.78Å; H232-L265 HydrophobicContact CB-CB 3.98Å; H232-L265 HydrophobicContact CB-CD1 4.29Å; H232-L265 VanDerWaalsContact CD2-CD1 3.46Å; H232-L265 WeakPolarHBondContact CD2-CD1 3.23Å; P233-L265 VanDerWaalsContact CD-CD1 3.43Å; P233-L265 HydrophobicContact CG-CD1 4.32Å; L265-G267 VanDerWaalsContact C-N 3.32Å; L265-G267 VanDerWaalsContact CD2-CA 3.44Å; L265-G267 PolarHBondContact O-N 3.23Å; L265-E302 WeakPolarHBondContact CA-OE2 3.15Å; L265-L305 VanDerWaalsContact O-CD2 3.28Å; L265-L305 WeakPolarHBondContact O-CD2 3.17Å; L265-L323 HydrophobicContact CD1-CD1 4.41Å; L265-L323 HydrophobicContact CD1-CD2 3.46Å; L265-L323 VanDerWaalsContact CD1-CD2 3.46Å; L265-L323 HydrophobicContact CD1-CG 4.4Å; L265-L323 HydrophobicContact CD2-CD1 3.35Å; L265-L323 HydrophobicContact CD2-CD2 3.99Å; L265-L323 HydrophobicContact CD2-CG 4.16Å; L265-L323 HydrophobicContact CG-CD2 4.43Å
266	G	96.8	Very high	98.4	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-21	-177.3	0	0	0	0	0	115.3	R187 E302	R187-G266 PolarHBondContact NH2-O 3.42Å; G266-E302 PolarHBondContact N-OE2 3.07Å
267	G	96.6	Very high	98.4	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	5.7	-179.1	0	0	0	0	0	116.7	V209 D210 L265	V209-G267 CarbonylContact C-O 3.55Å; V209-G267 WeakPolarHBondContact CA-O 3.45Å; D210-G267 PolarHBondContact N-O 3.34Å; D210-G267 WeakPolarHBondContact OD1-CA 3.48Å; D210-G267 WeakPolarHBondContact OD2-CA 3.29Å; L265-G267 VanDerWaalsContact C-N 3.32Å; L265-G267 VanDerWaalsContact CD2-CA 3.44Å; L265-G267 PolarHBondContact O-N 3.23Å
268	F	98.8	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	102.3	169.2	-160.2	-23	0	0	0	112	V207 C208 V209 V219 I223 F228 T230 L318 Y322 L323 F340	V207-F268 HydrophobicContact CG1-CD1 4.16Å; V207-F268 HydrophobicContact CG1-CE1 3.49Å; V207-F268 VanDerWaalsContact CG1-CE1 3.49Å; V207-F268 HydrophobicContact CG1-CZ 4.14Å; C208-F268 WeakPolarHBondContact O-CA 3.47Å; V209-F268 HydrophobicContact CG1-CB 4.25Å; V209-F268 HydrophobicContact CG1-CD1 3.67Å; V209-F268 HydrophobicContact CG1-CD2 4.05Å; V209-F268 HydrophobicContact CG1-CE1 4.01Å; V209-F268 HydrophobicContact CG1-CE2 4.34Å; V209-F268 HydrophobicContact CG1-CG 3.73Å; V209-F268 HydrophobicContact CG1-CZ 4.33Å; V219-F268 HydrophobicContact CG1-CZ 4.11Å; I223-F268 HydrophobicContact CD1-CE1 4.11Å; I223-F268 HydrophobicContact CD1-CZ 4.02Å; F228-F268 AromaticContact CE2-CD1 3.67Å; F228-F268 HydrophobicContact CE2-CD1 3.67Å; F228-F268 AromaticContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CE2-CE1 3.59Å; F228-F268 HydrophobicContact CZ-CD1 4.21Å; F228-F268 AromaticContact CZ-CE1 3.83Å; F228-F268 HydrophobicContact CZ-CE1 3.83Å; T230-F268 VanDerWaalsContact CB-O 3.27Å; T230-F268 WeakPolarHBondContact CB-O 3.4Å; T230-F268 PolarHBondContact N-O 3.29Å; T230-F268 PolarHBondContact OG1-O 3.18Å; F268-L318 HydrophobicContact CD1-CD1 4.35Å; F268-L318 HydrophobicContact CE1-CD1 3.93Å; F268-L318 HydrophobicContact CZ-CD1 4.08Å; F268-Y322 WeakPolarHBondContact CD2-O 3.27Å; F268-Y322 VanDerWaalsContact CE2-O 3.22Å; F268-Y322 WeakPolarHBondContact CE2-O 3.38Å; F268-L323 HydrophobicContact CB-CD1 3.79Å; F268-L323 HydrophobicContact CD2-CB 4.5Å; F268-L323 HydrophobicContact CD2-CD1 4.48Å; F268-F340 AromaticContact CD2-CD1 3.79Å; F268-F340 HydrophobicContact CD2-CD1 3.79Å; F268-F340 HydrophobicContact CD2-CE1 4.14Å; F268-F340 HydrophobicContact CE2-CD1 4.08Å
269	F	98.9	Very high	98.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	173.5	171.7	64.2	-87.3	0	0	0	110.1	M188 I191 C208 F228 L279 T280 L305	M188-F269 HydrophobicContact CE-CE1 4.04Å; M188-F269 HydrophobicContact CE-CZ 4.01Å; M188-F269 HydrophobicContact SD-CZ 4.09Å; I191-F269 HydrophobicContact CD1-CZ 4.2Å; C208-F269 HydrophobicContact CB-CD1 4.25Å; C208-F269 HydrophobicContact CB-CD2 4.02Å; C208-F269 HydrophobicContact CB-CE1 3.83Å; C208-F269 HydrophobicContact CB-CE2 3.57Å; C208-F269 HydrophobicContact CB-CG 4.35Å; C208-F269 HydrophobicContact CB-CZ 3.47Å; C208-F269 VanDerWaalsContact CB-CZ 3.47Å; C208-F269 PolarHBondContact N-O 3.38Å; C208-F269 PolarHBondContact O-N 2.89Å; C208-F269 VanDerWaalsContact O-N 3.1Å; F228-F269 VanDerWaalsContact CZ-C 3.46Å; F269-L279 HydrophobicContact CD2-CD1 4.41Å; F269-L279 HydrophobicContact CD2-CD2 4.14Å; F269-L279 HydrophobicContact CE2-CD2 3.93Å; F269-T280 HydrophobicContact CE2-CG2 4.01Å; F269-T280 HydrophobicContact CZ-CG2 4.33Å; F269-L305 HydrophobicContact CB-CD1 4.44Å; F269-L305 HydrophobicContact CD1-CD2 4.28Å; F269-L305 HydrophobicContact CG-CD1 4.42Å
270	G	98.9	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-166.7	176.3	0	0	0	0	0	112.9	L206 F228	L206-G270 CarbonylContact O-C 3.58Å; L206-G270 WeakPolarHBondContact O-CA 3.32Å; F228-G270 WeakPolarHBondContact CD1-O 3.41Å; F228-G270 VanDerWaalsContact CZ-CA 3.41Å; F228-G270 VanDerWaalsContact CZ-N 3.32Å; F228-G270 PolarHBondContact N-O 2.67Å; F228-G270 PolarHBondContact O-N 3.38Å
271	G	98.9	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-165.6	-175.1	0	0	0	0	0	112.6	Y205 L206 T225 P226 V276	Y205-G271 CarbonylContact C-O 3.1Å; Y205-G271 VanDerWaalsContact CA-O 3.27Å; Y205-G271 WeakPolarHBondContact CA-O 3.48Å; L206-G271 PolarHBondContact N-O 3.4Å; L206-G271 PolarHBondContact O-N 3.01Å; T225-G271 CarbonylContact O-C 3.57Å; T225-G271 VanDerWaalsContact O-CA 3.27Å; T225-G271 WeakPolarHBondContact O-CA 3.37Å; P226-G271 CarbonylContact O-C 3.55Å; P226-G271 WeakPolarHBondContact O-CA 3.48Å; G271-V276 VanDerWaalsContact N-CG2 3.34Å
272	S	98.9	Very high	98.5	Very high	28 Å²	28	23.9 Å²	23.9	20%	0.196	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	152.4	164	69.3	0	0	0	0	109.9	T225 P226 Q274 E275 V276	T225-S272 PolarHBondContact O-N 3.16Å; P226-S272 PolarHBondContact O-N 2.62Å; S272-Q274 PolarHBondContact O-N 3.01Å; S272-Q274 VanDerWaalsContact O-N 3.16Å; S272-E275 PolarHBondContact O-N 3.42Å; S272-E275 VanDerWaalsContact O-N 3.14Å; S272-E275 WeakPolarHBondContact OG-CG 3.41Å; S272-E275 PolarHBondContact OG-N 2.92Å; S272-V276 WeakPolarHBondContact O-CG2 3.44Å; S272-V276 PolarHBondContact O-N 3.3Å
273	V	98.8	Very high	98.5	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-53.9	-39.5	178.9	-178.9	0	0	0	0	111.7	C195 F199 L200 V203 D204 L206 V276 Q277	C195-V273 HydrophobicContact CB-CG1 4.22Å; F199-V273 HydrophobicContact CB-CG1 3.87Å; F199-V273 HydrophobicContact CB-CG2 4.29Å; L200-V273 HydrophobicContact CB-CG1 4.46Å; L200-V273 HydrophobicContact CD2-CB 4.06Å; L200-V273 HydrophobicContact CD2-CG1 3.61Å; L200-V273 HydrophobicContact CG-CG1 3.73Å; V203-V273 HydrophobicContact CG2-CG2 3.79Å; V203-V273 VanDerWaalsContact O-CG2 3.23Å; V203-V273 WeakPolarHBondContact O-CG2 3.26Å; D204-V273 PolarHBondContact O-N 2.63Å; L206-V273 HydrophobicContact CD1-CB 4.42Å; L206-V273 HydrophobicContact CD1-CG1 4.13Å; L206-V273 HydrophobicContact CD1-CG2 4.2Å; L206-V273 HydrophobicContact CG-CG2 4.15Å; V273-V276 PolarHBondContact O-N 3.02Å; V273-Q277 WeakPolarHBondContact O-CB 3.44Å; V273-Q277 PolarHBondContact O-N 3Å
274	Q	98.6	Very high	98.5	Very high	104 Å²	104	23.5 Å²	23.5	49%	0.486	11%	0.112	S	C	.	.	H	α-helix	trans	-62.8	-47	179.1	-178.7	176.9	66	0	0	112.6	S272 Q277 R278	S272-Q274 PolarHBondContact O-N 3.01Å; S272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-Q277 WeakPolarHBondContact O-CB 3.44Å; Q274-Q277 PolarHBondContact O-N 3.2Å; Q274-R278 VanDerWaalsContact CD-NH2 3.32Å; Q274-R278 WeakPolarHBondContact O-CG 3.46Å; Q274-R278 PolarHBondContact O-N 3.4Å
275	E	98.9	Very high	98.5	Very high	34 Å²	34	29 Å²	29	16%	0.159	14%	0.138	C	C	.	.	H	α-helix	trans	-69.8	-37.9	-180	-73.1	-59.3	108.2	0	0	111.9	P226 L227 S272 Q277 R278 L279	P226-E275 HydrophobicContact CB-CG 4.15Å; P226-E275 WeakPolarHBondContact O-CB 3.36Å; P226-E275 VanDerWaalsContact O-CG 3.26Å; P226-E275 WeakPolarHBondContact O-CG 3.11Å; L227-E275 HydrophobicContact CB-CB 4.26Å; L227-E275 HydrophobicContact CB-CG 4.42Å; S272-E275 PolarHBondContact O-N 3.42Å; S272-E275 VanDerWaalsContact O-N 3.14Å; S272-E275 WeakPolarHBondContact OG-CG 3.41Å; S272-E275 PolarHBondContact OG-N 2.92Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 3.02Å; E275-R278 PolarHBondContact O-N 3.04Å; E275-R278 VanDerWaalsContact OE1-CD 3.31Å; E275-R278 WeakPolarHBondContact OE1-CD 3.33Å; E275-R278 IonicContact OE1-CZ 3.34Å; E275-R278 IonicContact OE1-NE 3.77Å; E275-R278 IonicContact OE1-NH1 2.89Å; E275-R278 PolarHBondContact OE1-NH1 2.75Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 2.92Å
276	V	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-40.4	174.4	173	0	0	0	0	110.7	I191 L206 G271 S272 V273 L279 T280	I191-V276 HydrophobicContact CG2-CG1 3.82Å; L206-V276 HydrophobicContact CB-CB 4.29Å; L206-V276 HydrophobicContact CB-CG1 4.18Å; L206-V276 HydrophobicContact CB-CG2 4.02Å; L206-V276 HydrophobicContact CD1-CB 4.21Å; L206-V276 HydrophobicContact CD1-CG1 3.92Å; G271-V276 VanDerWaalsContact N-CG2 3.34Å; S272-V276 WeakPolarHBondContact O-CG2 3.44Å; S272-V276 PolarHBondContact O-N 3.3Å; V273-V276 PolarHBondContact O-N 3.02Å; V276-L279 PolarHBondContact O-N 3.48Å; V276-T280 HydrophobicContact CG1-CG2 4.07Å; V276-T280 WeakPolarHBondContact O-CB 3.38Å; V276-T280 VanDerWaalsContact O-CG2 3.24Å; V276-T280 WeakPolarHBondContact O-CG2 3.41Å; V276-T280 PolarHBondContact O-N 3.18Å; V276-T280 PolarHBondContact O-OG1 3.36Å
277	Q	98.8	Very high	98.7	Very high	26 Å²	26	29.7 Å²	29.7	12%	0.121	14%	0.144	C	C	.	.	H	α-helix	trans	-60.4	-46.5	173.6	-173.8	-171.7	32.5	0	0	111.7	C195 E196 V273 Q274 E275 T280 R281	C195-Q277 HydrophobicContact CB-CB 3.8Å; C195-Q277 HydrophobicContact CB-CG 3.81Å; E196-Q277 PolarHBondContact OE1-NE2 3.1Å; V273-Q277 WeakPolarHBondContact O-CB 3.44Å; V273-Q277 PolarHBondContact O-N 3Å; Q274-Q277 WeakPolarHBondContact O-CB 3.44Å; Q274-Q277 PolarHBondContact O-N 3.2Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 3.02Å; Q277-T280 PolarHBondContact O-OG1 3.21Å; Q277-R281 WeakPolarHBondContact O-CB 3.41Å; Q277-R281 PolarHBondContact O-N 2.88Å
278	R	98.9	Very high	98.8	Very high	120 Å²	120	32.2 Å²	32.2	45%	0.453	16%	0.156	S	C	.	.	H	α-helix	trans	-59.5	-49.4	177.9	-73.3	169.6	179.5	171.8	2	111.5	Q274 E275 A282	Q274-R278 VanDerWaalsContact CD-NH2 3.32Å; Q274-R278 WeakPolarHBondContact O-CG 3.46Å; Q274-R278 PolarHBondContact O-N 3.4Å; E275-R278 PolarHBondContact O-N 3.04Å; E275-R278 VanDerWaalsContact OE1-CD 3.31Å; E275-R278 WeakPolarHBondContact OE1-CD 3.33Å; E275-R278 IonicContact OE1-CZ 3.34Å; E275-R278 IonicContact OE1-NE 3.77Å; E275-R278 IonicContact OE1-NH1 2.89Å; E275-R278 PolarHBondContact OE1-NH1 2.75Å; R278-A282 VanDerWaalsContact O-CB 3.26Å; R278-A282 WeakPolarHBondContact O-CB 3.48Å; R278-A282 PolarHBondContact O-N 2.62Å
279	L	98.9	Very high	98.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-55.4	178.5	179.9	156.6	0	0	0	111.5	M188 L227 F269 E275 V276 R281 A282 C283 L305 Y308 L309	M188-L279 HydrophobicContact CE-CD2 4.46Å; M188-L279 HydrophobicContact SD-CD2 4.11Å; L227-L279 HydrophobicContact CD1-CD1 3.7Å; F269-L279 HydrophobicContact CD2-CD1 4.41Å; F269-L279 HydrophobicContact CD2-CD2 4.14Å; F269-L279 HydrophobicContact CE2-CD2 3.93Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 2.92Å; V276-L279 PolarHBondContact O-N 3.48Å; L279-R281 PolarHBondContact O-N 3.38Å; L279-A282 PolarHBondContact O-N 2.96Å; L279-C283 WeakPolarHBondContact O-CB 3.42Å; L279-C283 PolarHBondContact O-N 2.79Å; L279-C283 PolarHBondContact O-SG 2.88Å; L279-C283 VanDerWaalsContact O-SG 3.36Å; L279-L305 HydrophobicContact CD1-CD1 3.73Å; L279-L305 HydrophobicContact CD2-CD1 4.06Å; L279-L305 HydrophobicContact CG-CD1 4.28Å; L279-Y308 VanDerWaalsContact CA-CZ 3.48Å; L279-Y308 HydrophobicContact CB-CD1 3.96Å; L279-Y308 HydrophobicContact CB-CE1 3.59Å; L279-Y308 HydrophobicContact CB-CE2 4.43Å; L279-Y308 HydrophobicContact CD1-CD1 3.73Å; L279-Y308 HydrophobicContact CD1-CE1 3.92Å; L279-Y308 HydrophobicContact CG-CD1 3.63Å; L279-Y308 HydrophobicContact CG-CE1 3.81Å; L279-Y308 HydrophobicContact CG-CG 4.12Å; L279-Y308 PolarHBondContact N-OH 2.88Å; L279-L309 HydrophobicContact CD1-CD2 4.22Å
280	T	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-39.1	-172.7	53.9	0	0	0	0	111.5	M188 I191 S192 F269 V276 Q277 H284	M188-T280 WeakPolarHBondContact O-CB 3.38Å; M188-T280 HydrophobicContact SD-CG2 3.8Å; I191-T280 HydrophobicContact CB-CG2 4.03Å; I191-T280 HydrophobicContact CD1-CG2 4.44Å; I191-T280 HydrophobicContact CG2-CG2 3.8Å; S192-T280 WeakPolarHBondContact CB-OG1 3.37Å; F269-T280 HydrophobicContact CE2-CG2 4.01Å; F269-T280 HydrophobicContact CZ-CG2 4.33Å; V276-T280 HydrophobicContact CG1-CG2 4.07Å; V276-T280 WeakPolarHBondContact O-CB 3.38Å; V276-T280 VanDerWaalsContact O-CG2 3.24Å; V276-T280 WeakPolarHBondContact O-CG2 3.41Å; V276-T280 PolarHBondContact O-N 3.18Å; V276-T280 PolarHBondContact O-OG1 3.36Å; Q277-T280 PolarHBondContact O-OG1 3.21Å; T280-H284 VanDerWaalsContact O-CB 3.32Å; T280-H284 WeakPolarHBondContact O-CB 3.46Å; T280-H284 PolarHBondContact O-N 2.99Å
281	R	98.9	Very high	98.8	Very high	85 Å²	85	40.6 Å²	40.6	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-47	172.7	-178.2	173.7	-62.9	160.8	2.6	112.5	E196 Q277 L279 H284 Q285	E196-R281 IonicContact OE1-CZ 3.28Å; E196-R281 IonicContact OE1-NH1 3.81Å; E196-R281 IonicContact OE1-NH2 2.75Å; E196-R281 PolarHBondContact OE1-NH2 3.37Å; Q277-R281 WeakPolarHBondContact O-CB 3.41Å; Q277-R281 PolarHBondContact O-N 2.88Å; L279-R281 PolarHBondContact O-N 3.38Å; R281-H284 PolarHBondContact O-N 2.76Å; R281-Q285 HydrophobicContact CG-CG 4.47Å; R281-Q285 WeakPolarHBondContact O-CB 2.8Å; R281-Q285 WeakPolarHBondContact O-CG 3.4Å; R281-Q285 PolarHBondContact O-N 3.5Å
282	A	98.9	Very high	98.8	Very high	35 Å²	35	44.6 Å²	44.6	29%	0.289	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-44.2	180	0	0	0	0	0	111.6	R278 L279 Q285 A286 Y308	R278-A282 VanDerWaalsContact O-CB 3.26Å; R278-A282 WeakPolarHBondContact O-CB 3.48Å; R278-A282 PolarHBondContact O-N 2.62Å; L279-A282 PolarHBondContact O-N 2.96Å; A282-Q285 PolarHBondContact O-N 2.87Å; A282-A286 WeakPolarHBondContact O-CB 3.43Å; A282-A286 PolarHBondContact O-N 3.17Å; A282-Y308 HydrophobicContact CB-CD2 3.69Å; A282-Y308 HydrophobicContact CB-CE2 3.67Å
283	C	98.9	Very high	98.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-45.2	174.4	-72.1	0	0	0	0	111.7	M188 L279 A286 M287 H304	M188-C283 HydrophobicContact CB-CB 4.33Å; M188-C283 HydrophobicContact CG-CB 3.94Å; M188-C283 HydrophobicContact SD-CB 4.04Å; L279-C283 WeakPolarHBondContact O-CB 3.42Å; L279-C283 PolarHBondContact O-N 2.79Å; L279-C283 PolarHBondContact O-SG 2.88Å; L279-C283 VanDerWaalsContact O-SG 3.36Å; C283-A286 PolarHBondContact O-N 3.18Å; C283-M287 HydrophobicContact CB-CE 4.14Å; C283-M287 VanDerWaalsContact O-CE 3.32Å; C283-M287 WeakPolarHBondContact O-CE 3.36Å; C283-M287 WeakPolarHBondContact O-CG 3.47Å; C283-M287 PolarHBondContact O-N 3.04Å; C283-H304 HydrophobicContact CB-CB 4.14Å
284	H	98.9	Very high	98.8	Very high	32 Å²	32	51.5 Å²	51.5	15%	0.148	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-49.9	176.7	177.2	53.7	0	0	0	112.5	M188 E189 T280 R281 A286 M287 M288	M188-H284 HydrophobicContact CB-CB 4.23Å; E189-H284 VanDerWaalsContact CD-CE1 3.49Å; E189-H284 IonicContact OE2-CE1 3.03Å; E189-H284 PolarHBondContact OE2-CE1 2.77Å; E189-H284 IonicContact OE2-ND1 2.62Å; T280-H284 VanDerWaalsContact O-CB 3.32Å; T280-H284 WeakPolarHBondContact O-CB 3.46Å; T280-H284 PolarHBondContact O-N 2.99Å; R281-H284 PolarHBondContact O-N 2.76Å; H284-A286 VanDerWaalsContact C-N 3.32Å; H284-A286 PolarHBondContact O-N 3.22Å; H284-M287 WeakPolarHBondContact O-CB 3.39Å; H284-M287 PolarHBondContact O-N 3.35Å; H284-M288 VanDerWaalsContact CE1-SD 3.58Å; H284-M288 WeakPolarHBondContact O-CG 3.44Å; H284-M288 PolarHBondContact O-N 3.06Å
285	Q	98.9	Very high	98.8	Very high	117 Å²	117	47.8 Å²	47.8	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-42.9	177.8	-72.2	174.6	-14.6	0	0	111.7	R281 A282 M287 M288 V289	R281-Q285 HydrophobicContact CG-CG 4.47Å; R281-Q285 WeakPolarHBondContact O-CB 2.8Å; R281-Q285 WeakPolarHBondContact O-CG 3.4Å; R281-Q285 PolarHBondContact O-N 3.5Å; A282-Q285 PolarHBondContact O-N 2.87Å; Q285-M287 VanDerWaalsContact C-N 3.35Å; Q285-M287 PolarHBondContact O-N 3.19Å; Q285-M288 PolarHBondContact O-N 3.03Å; Q285-M288 VanDerWaalsContact O-N 3.15Å; Q285-V289 WeakPolarHBondContact O-CG2 3.4Å; Q285-V289 PolarHBondContact O-N 3.39Å
286	A	98.9	Very high	98.8	Very high	21 Å²	21	49.1 Å²	49.1	17%	0.174	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-41.1	175.9	0	0	0	0	0	112.4	Q252 A282 C283 H284 M288 V289 D290 H304	Q252-A286 HydrophobicContact CB-CB 3.81Å; Q252-A286 HydrophobicContact CG-CB 4.35Å; A282-A286 WeakPolarHBondContact O-CB 3.43Å; A282-A286 PolarHBondContact O-N 3.17Å; C283-A286 PolarHBondContact O-N 3.18Å; H284-A286 VanDerWaalsContact C-N 3.32Å; H284-A286 PolarHBondContact O-N 3.22Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 2.9Å; A286-V289 PolarHBondContact O-N 3.18Å; A286-D290 PolarHBondContact O-N 3.26Å; A286-H304 WeakPolarHBondContact CB-ND1 3.2Å
287	M	98.8	Very high	98.8	Very high	9 Å²	9	49.2 Å²	49.2	4%	0.044	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-36	173.8	-77	-177.5	-86.7	0	0	112.5	M185 M188 C283 H284 Q285 D290 Q291 D301 H304	M185-M287 HydrophobicContact CB-SD 3.5Å; M185-M287 WeakPolarHBondContact CB-SD 3.48Å; M185-M287 HydrophobicContact CG-SD 3.6Å; M185-M287 VanDerWaalsContact CG-SD 3.6Å; M185-M287 WeakPolarHBondContact O-CE 3.44Å; M185-M287 HydrophobicContact SD-SD 3.95Å; M188-M287 HydrophobicContact CB-CE 3.68Å; M188-M287 HydrophobicContact CG-CE 3.51Å; C283-M287 HydrophobicContact CB-CE 4.14Å; C283-M287 VanDerWaalsContact O-CE 3.32Å; C283-M287 WeakPolarHBondContact O-CE 3.36Å; C283-M287 WeakPolarHBondContact O-CG 3.47Å; C283-M287 PolarHBondContact O-N 3.04Å; H284-M287 WeakPolarHBondContact O-CB 3.39Å; H284-M287 PolarHBondContact O-N 3.35Å; Q285-M287 VanDerWaalsContact C-N 3.35Å; Q285-M287 PolarHBondContact O-N 3.19Å; M287-D290 PolarHBondContact O-N 2.79Å; M287-Q291 WeakPolarHBondContact O-CB 3.06Å; M287-Q291 PolarHBondContact O-N 3.21Å; M287-D301 HydrophobicContact CE-CB 4.39Å; M287-D301 HydrophobicContact SD-CB 4.42Å; M287-H304 WeakPolarHBondContact CG-CD2 3.18Å; M287-H304 VanDerWaalsContact CG-NE2 3.3Å; M287-H304 WeakPolarHBondContact CG-NE2 3.32Å
288	M	98.8	Very high	98.8	Very high	55 Å²	55	51.2 Å²	51.2	27%	0.271	29%	0.288	S	S	.	.	H	α-helix	trans	-69.9	-35	177.2	-63.5	-51.8	84	0	0	112.1	R186 H284 Q285 A286 Q291 A292	R186-M288 PolarHBondContact NH1-SD 3.32Å; H284-M288 VanDerWaalsContact CE1-SD 3.58Å; H284-M288 WeakPolarHBondContact O-CG 3.44Å; H284-M288 PolarHBondContact O-N 3.06Å; Q285-M288 PolarHBondContact O-N 3.03Å; Q285-M288 VanDerWaalsContact O-N 3.15Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 2.9Å; M288-Q291 PolarHBondContact O-N 3.49Å; M288-Q291 PolarHBondContact SD-OE1 2.53Å; M288-A292 WeakPolarHBondContact O-CB 3.21Å; M288-A292 PolarHBondContact O-N 3.02Å
289	V	98.9	Very high	98.8	Very high	60 Å²	60	51.3 Å²	51.3	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-45	172.1	173.6	0	0	0	0	110.8	Q252 Q285 A286 Q291 A292 N293	Q252-V289 HydrophobicContact CG-CB 3.79Å; Q252-V289 HydrophobicContact CG-CG1 3.6Å; Q285-V289 WeakPolarHBondContact O-CG2 3.4Å; Q285-V289 PolarHBondContact O-N 3.39Å; A286-V289 PolarHBondContact O-N 3.18Å; V289-Q291 PolarHBondContact O-N 3.39Å; V289-A292 PolarHBondContact O-N 3.06Å; V289-N293 WeakPolarHBondContact O-CB 3.27Å; V289-N293 PolarHBondContact O-N 3.39Å; V289-N293 PolarHBondContact O-ND2 2.95Å
290	D	98.8	Very high	98.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.011	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-45.3	175.8	-85	12.4	0	0	0	111.4	S251 Q252 A286 M287 A292 N293 G294 I295 H304	S251-D290 WeakPolarHBondContact CA-OD1 3.38Å; S251-D290 WeakPolarHBondContact CB-OD2 3.48Å; S251-D290 PolarHBondContact OG-OD2 3.46Å; Q252-D290 WeakPolarHBondContact CG-OD1 3.4Å; Q252-D290 PolarHBondContact N-OD1 3.13Å; A286-D290 PolarHBondContact O-N 3.26Å; M287-D290 PolarHBondContact O-N 2.79Å; D290-A292 VanDerWaalsContact C-N 3.34Å; D290-A292 PolarHBondContact O-N 2.76Å; D290-N293 CarbonylContact O-C 3.47Å; D290-N293 PolarHBondContact O-N 3.25Å; D290-N293 VanDerWaalsContact O-N 3.11Å; D290-G294 PolarHBondContact O-N 3.45Å; D290-G294 VanDerWaalsContact O-N 3.09Å; D290-I295 CarbonylContact C-O 3.59Å; D290-I295 HydrophobicContact CB-CG2 3.78Å; D290-I295 WeakPolarHBondContact CB-O 3.35Å; D290-I295 WeakPolarHBondContact O-CG2 3.26Å; D290-I295 PolarHBondContact O-N 3.19Å; D290-H304 IonicContact OD2-CE1 3.16Å; D290-H304 PolarHBondContact OD2-CE1 2.72Å; D290-H304 VanDerWaalsContact OD2-CE1 3.29Å; D290-H304 IonicContact OD2-NE2 2.93Å
291	Q	98.4	Very high	98.7	Very high	116 Å²	116	52.4 Å²	52.4	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-57.5	-45.4	174.9	-175.2	179.4	16	0	0	111.9	R186 M287 M288 V289 N293 G294	R186-Q291 VanDerWaalsContact NH2-OE1 3.11Å; M287-Q291 WeakPolarHBondContact O-CB 3.06Å; M287-Q291 PolarHBondContact O-N 3.21Å; M288-Q291 PolarHBondContact O-N 3.49Å; M288-Q291 PolarHBondContact SD-OE1 2.53Å; V289-Q291 PolarHBondContact O-N 3.39Å; Q291-N293 VanDerWaalsContact C-N 3.26Å; Q291-N293 PolarHBondContact O-N 2.97Å; Q291-G294 PolarHBondContact O-N 3.22Å; Q291-G294 VanDerWaalsContact O-N 3.11Å
292	A	98.6	Very high	98.7	Very high	85 Å²	85	49.5 Å²	49.5	70%	0.702	28%	0.284	S	S	*	.	H	α-helix	trans	-65.1	-30.6	178.1	0	0	0	0	0	112.7	M288 V289 D290 G294	M288-A292 WeakPolarHBondContact O-CB 3.21Å; M288-A292 PolarHBondContact O-N 3.02Å; V289-A292 PolarHBondContact O-N 3.06Å; D290-A292 VanDerWaalsContact C-N 3.34Å; D290-A292 PolarHBondContact O-N 2.76Å; A292-G294 VanDerWaalsContact C-N 3.29Å
293	N	98.5	Very high	98.7	Very high	105 Å²	105	47.9 Å²	47.9	56%	0.561	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	3.6	175.6	-67.7	-26	0	0	0	113.4	V289 D290 Q291 I295	V289-N293 WeakPolarHBondContact O-CB 3.27Å; V289-N293 PolarHBondContact O-N 3.39Å; V289-N293 PolarHBondContact O-ND2 2.95Å; D290-N293 CarbonylContact O-C 3.47Å; D290-N293 PolarHBondContact O-N 3.25Å; D290-N293 VanDerWaalsContact O-N 3.11Å; Q291-N293 VanDerWaalsContact C-N 3.26Å; Q291-N293 PolarHBondContact O-N 2.97Å; N293-I295 VanDerWaalsContact C-N 3.32Å; N293-I295 HydrophobicContact CB-CG2 4.25Å; N293-I295 PolarHBondContact O-N 3.33Å
294	G	98.5	Very high	98.8	Very high	74 Å²	74	48.1 Å²	48.1	76%	0.763	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	27.8	179.2	0	0	0	0	0	114	D290 Q291 A292	D290-G294 PolarHBondContact O-N 3.45Å; D290-G294 VanDerWaalsContact O-N 3.09Å; Q291-G294 PolarHBondContact O-N 3.22Å; Q291-G294 VanDerWaalsContact O-N 3.11Å; A292-G294 VanDerWaalsContact C-N 3.29Å
295	I	98.8	Very high	98.8	Very high	25 Å²	25	46.6 Å²	46.6	13%	0.128	26%	0.264	C	S	.	.			trans	-122.3	146	177.4	-169.6	163.9	0	0	0	110.5	R248 Q250 D290 N293	R248-I295 HydrophobicContact CB-CD1 4.15Å; Q250-I295 HydrophobicContact CB-CD1 4.09Å; D290-I295 CarbonylContact C-O 3.59Å; D290-I295 HydrophobicContact CB-CG2 3.78Å; D290-I295 WeakPolarHBondContact CB-O 3.35Å; D290-I295 WeakPolarHBondContact O-CG2 3.26Å; D290-I295 PolarHBondContact O-N 3.19Å; N293-I295 VanDerWaalsContact C-N 3.32Å; N293-I295 HydrophobicContact CB-CG2 4.25Å; N293-I295 PolarHBondContact O-N 3.33Å
296	E	98.9	Very high	98.8	Very high	62 Å²	62	41 Å²	41	29%	0.29	24%	0.239	S	C	.	.			trans	-126.1	127.8	171.3	-176.6	175.8	98.7	0	0	107.2	R179 M185 R248 H300	R179-E296 IonicContact CZ-OE1 3.71Å; R179-E296 IonicContact CZ-OE2 3.49Å; R179-E296 VanDerWaalsContact CZ-OE2 3.3Å; R179-E296 IonicContact NH1-OE1 3.89Å; R179-E296 IonicContact NH1-OE2 3.41Å; R179-E296 PolarHBondContact NH1-OE2 3.19Å; R179-E296 VanDerWaalsContact NH2-CD 3.26Å; R179-E296 IonicContact NH2-OE1 2.75Å; R179-E296 PolarHBondContact NH2-OE1 2.88Å; R179-E296 IonicContact NH2-OE2 2.7Å; R179-E296 PolarHBondContact NH2-OE2 3.21Å; M185-E296 HydrophobicContact CE-CG 4.23Å; M185-E296 WeakPolarHBondContact CE-OE2 3.25Å; M185-E296 HydrophobicContact SD-CG 4.15Å; R248-E296 PolarHBondContact NH2-O 3.37Å; E296-H300 IonicContact OE1-CD2 3.47Å; E296-H300 PolarHBondContact OE1-CD2 3.01Å; E296-H300 IonicContact OE1-NE2 2.62Å
297	A	98.8	Very high	98.8	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	24%	0.241	C	C	.	.			trans	-64.2	146.1	-176.1	0	0	0	0	0	112.1	E246 A253 W299 H300	E246-A297 HydrophobicContact CG-CB 4.5Å; E246-A297 WeakPolarHBondContact OE2-CA 3.31Å; A253-A297 HydrophobicContact CB-CB 3.94Å; A297-W299 VanDerWaalsContact C-N 3.29Å; A297-W299 PolarHBondContact O-N 3.23Å; A297-W299 VanDerWaalsContact O-N 3.14Å; A297-H300 PolarHBondContact O-N 3.01Å
298	V	98.7	Very high	98.8	Very high	68 Å²	68	43 Å²	43	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.9	-168.9	64.1	0	0	0	0	114.7	E246	E246-V298 HydrophobicContact CB-CG1 4.32Å; E246-V298 PolarHBondContact OE2-N 3.03Å
299	W	98.7	Very high	98.8	Very high	122 Å²	122	40.3 Å²	40.3	46%	0.462	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	36.2	173.8	-65.4	110.3	0	0	0	111.9	T244 Y263 A297 D301 E302 S303	T244-W299 VanDerWaalsContact CB-NE1 3.28Å; T244-W299 PolarHBondContact OG1-NE1 3.25Å; Y263-W299 VanDerWaalsContact OH-CD1 3.28Å; A297-W299 VanDerWaalsContact C-N 3.29Å; A297-W299 PolarHBondContact O-N 3.23Å; A297-W299 VanDerWaalsContact O-N 3.14Å; W299-D301 PolarHBondContact O-N 3.24Å; W299-E302 HydrophobicContact CB-CB 4.28Å; W299-E302 WeakPolarHBondContact O-CB 3.36Å; W299-E302 PolarHBondContact O-N 3.26Å; W299-S303 WeakPolarHBondContact CA-OG 3.47Å; W299-S303 WeakPolarHBondContact CB-OG 3.22Å; W299-S303 PolarHBondContact N-OG 2.86Å; W299-S303 PolarHBondContact O-N 2.83Å
300	H	98.8	Very high	98.8	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	54.8	-130.4	167.8	-42.8	94	0	0	0	111.9	W180 Q181 M185 E296 A297 E302 S303 H304	W180-H300 AromaticContact CH2-CE1 3.28Å; W180-H300 WeakPolarHBondContact CH2-CE1 3.46Å; W180-H300 AromaticContact CH2-ND1 3.68Å; W180-H300 AromaticContact CZ2-CE1 3.9Å; W180-H300 AromaticContact CZ3-CE1 3.95Å; W180-H300 AromaticContact CZ3-ND1 3.95Å; Q181-H300 VanDerWaalsContact CG-CD2 3.41Å; Q181-H300 WeakPolarHBondContact CG-CD2 3.33Å; Q181-H300 WeakPolarHBondContact CG-NE2 3.43Å; M185-H300 HydrophobicContact CG-CB 3.71Å; M185-H300 HydrophobicContact SD-CB 4.09Å; E296-H300 IonicContact OE1-CD2 3.47Å; E296-H300 PolarHBondContact OE1-CD2 3.01Å; E296-H300 IonicContact OE1-NE2 2.62Å; A297-H300 PolarHBondContact O-N 3.01Å; H300-E302 VanDerWaalsContact C-N 3.28Å; H300-E302 PolarHBondContact O-N 3.23Å; H300-S303 WeakPolarHBondContact O-CB 3.24Å; H300-S303 PolarHBondContact O-N 3.03Å; H300-H304 PolarHBondContact O-CD2 2.75Å; H300-H304 VanDerWaalsContact O-CD2 3.3Å
301	D	98.7	Very high	98.8	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-31.4	177.9	49	-58.6	0	0	0	114.1	S184 R187 M188 M287 W299 S303 H304 L305	S184-D301 WeakPolarHBondContact CB-OD1 3.38Å; S184-D301 PolarHBondContact OG-OD1 2.88Å; S184-D301 PolarHBondContact OG-OD2 2.99Å; R187-D301 IonicContact CZ-OD2 3.44Å; R187-D301 IonicContact NE-OD2 2.86Å; R187-D301 IonicContact NH2-OD2 2.64Å; R187-D301 PolarHBondContact NH2-OD2 3.37Å; M188-D301 HydrophobicContact CE-CB 3.94Å; M188-D301 HydrophobicContact CG-CB 4.31Å; M287-D301 HydrophobicContact CE-CB 4.39Å; M287-D301 HydrophobicContact SD-CB 4.42Å; W299-D301 PolarHBondContact O-N 3.24Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 2.84Å; D301-H304 PolarHBondContact O-N 2.61Å; D301-L305 WeakPolarHBondContact O-CB 3.41Å; D301-L305 PolarHBondContact O-N 2.91Å
302	E	98.9	Very high	98.8	Very high	24 Å²	24	43 Å²	43	11%	0.112	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-34.6	177.3	-177.9	174.4	94.5	0	0	111.8	H232 Y263 L265 G266 W299 H300 L305 N306	H232-E302 IonicContact CD2-OE1 3.81Å; H232-E302 IonicContact CD2-OE2 3.76Å; Y263-E302 WeakPolarHBondContact CE1-OE1 3.14Å; Y263-E302 VanDerWaalsContact CZ-OE1 3.25Å; Y263-E302 PolarHBondContact OH-OE1 3.17Å; L265-E302 WeakPolarHBondContact CA-OE2 3.15Å; G266-E302 PolarHBondContact N-OE2 3.07Å; W299-E302 HydrophobicContact CB-CB 4.28Å; W299-E302 WeakPolarHBondContact O-CB 3.36Å; W299-E302 PolarHBondContact O-N 3.26Å; H300-E302 VanDerWaalsContact C-N 3.28Å; H300-E302 PolarHBondContact O-N 3.23Å; E302-L305 PolarHBondContact O-N 2.71Å; E302-N306 PolarHBondContact O-N 3.29Å; E302-N306 PolarHBondContact O-ND2 3.44Å
303	S	98.9	Very high	98.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-43.8	175.5	-64.3	0	0	0	0	111.4	W299 H300 D301 N306 K307	W299-S303 WeakPolarHBondContact CA-OG 3.47Å; W299-S303 WeakPolarHBondContact CB-OG 3.22Å; W299-S303 PolarHBondContact N-OG 2.86Å; W299-S303 PolarHBondContact O-N 2.83Å; H300-S303 WeakPolarHBondContact O-CB 3.24Å; H300-S303 PolarHBondContact O-N 3.03Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 2.84Å; S303-N306 PolarHBondContact O-N 2.8Å; S303-K307 PolarHBondContact O-N 3.33Å; S303-K307 VanDerWaalsContact O-N 3.16Å
304	H	98.9	Very high	98.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.028	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-37.6	176.7	-66.6	-82.4	0	0	0	112.2	C283 A286 M287 D290 H300 D301 N306 K307 Y308	C283-H304 HydrophobicContact CB-CB 4.14Å; A286-H304 WeakPolarHBondContact CB-ND1 3.2Å; M287-H304 WeakPolarHBondContact CG-CD2 3.18Å; M287-H304 VanDerWaalsContact CG-NE2 3.3Å; M287-H304 WeakPolarHBondContact CG-NE2 3.32Å; D290-H304 IonicContact OD2-CE1 3.16Å; D290-H304 PolarHBondContact OD2-CE1 2.72Å; D290-H304 VanDerWaalsContact OD2-CE1 3.29Å; D290-H304 IonicContact OD2-NE2 2.93Å; H300-H304 PolarHBondContact O-CD2 2.75Å; H300-H304 VanDerWaalsContact O-CD2 3.3Å; D301-H304 PolarHBondContact O-N 2.61Å; H304-N306 PolarHBondContact O-N 3.02Å; H304-K307 PolarHBondContact O-N 3.45Å; H304-Y308 PolarHBondContact O-N 2.98Å
305	L	98.9	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-49.2	173.6	174	65.5	0	0	0	111.3	L265 F269 L279 D301 E302 K307 Y308 L309	L265-L305 VanDerWaalsContact O-CD2 3.28Å; L265-L305 WeakPolarHBondContact O-CD2 3.17Å; F269-L305 HydrophobicContact CB-CD1 4.44Å; F269-L305 HydrophobicContact CD1-CD2 4.28Å; F269-L305 HydrophobicContact CG-CD1 4.42Å; L279-L305 HydrophobicContact CD1-CD1 3.73Å; L279-L305 HydrophobicContact CD2-CD1 4.06Å; L279-L305 HydrophobicContact CG-CD1 4.28Å; D301-L305 WeakPolarHBondContact O-CB 3.41Å; D301-L305 PolarHBondContact O-N 2.91Å; E302-L305 PolarHBondContact O-N 2.71Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.81Å; L305-Y308 PolarHBondContact O-N 3.29Å; L305-Y308 VanDerWaalsContact O-N 3.15Å; L305-L309 HydrophobicContact CD1-CD1 3.8Å; L305-L309 HydrophobicContact CD1-CG 4.02Å; L305-L309 HydrophobicContact CG-CD1 4.03Å; L305-L309 HydrophobicContact CG-CG 4.5Å; L305-L309 WeakPolarHBondContact O-CG 3.36Å; L305-L309 PolarHBondContact O-N 3Å
306	N	98.9	Very high	98.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-41.8	178.8	-84.7	-78.8	0	0	0	112	Y245 I255 Y264 E302 S303 H304 Y308 L309 L310	Y245-N306 HydrophobicContact CD1-CB 3.82Å; Y245-N306 HydrophobicContact CE1-CB 3.67Å; Y245-N306 WeakPolarHBondContact CE1-OD1 3.43Å; I255-N306 HydrophobicContact CD1-CB 4.26Å; Y264-N306 WeakPolarHBondContact CD2-OD1 3.27Å; Y264-N306 PolarHBondContact N-OD1 3.4Å; Y264-N306 PolarHBondContact O-ND2 3.48Å; E302-N306 PolarHBondContact O-N 3.29Å; E302-N306 PolarHBondContact O-ND2 3.44Å; S303-N306 PolarHBondContact O-N 2.8Å; H304-N306 PolarHBondContact O-N 3.02Å; N306-Y308 VanDerWaalsContact C-N 3.34Å; N306-Y308 PolarHBondContact O-N 3.11Å; N306-L309 PolarHBondContact O-N 2.73Å; N306-L310 WeakPolarHBondContact O-CB 3.16Å; N306-L310 PolarHBondContact O-N 2.82Å
307	K	98.9	Very high	98.8	Very high	50 Å²	50	34.5 Å²	34.5	22%	0.217	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-43.7	173.8	174.8	58.2	165.9	-76.8	0	111.8	Q252 Y254 I255 S303 H304 L305 R311	Q252-K307 PolarHBondContact O-NZ 3.49Å; Y254-K307 PolarHBondContact O-NZ 3.44Å; I255-K307 HydrophobicContact CD1-CB 4.47Å; I255-K307 HydrophobicContact CG1-CD 4.28Å; S303-K307 PolarHBondContact O-N 3.33Å; S303-K307 VanDerWaalsContact O-N 3.16Å; H304-K307 PolarHBondContact O-N 3.45Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.81Å; K307-R311 HydrophobicContact CD-CG 4.39Å; K307-R311 WeakPolarHBondContact O-CG 3.45Å; K307-R311 PolarHBondContact O-N 3.18Å
308	Y	98.9	Very high	98.8	Very high	20 Å²	20	34.4 Å²	34.4	8%	0.078	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-50.5	178.4	-175.5	-89.3	0	0	0	111.2	L227 L279 A282 H304 L305 N306 L310 R311 H312	L227-Y308 HydrophobicContact CD2-CE1 4.02Å; L279-Y308 VanDerWaalsContact CA-CZ 3.48Å; L279-Y308 HydrophobicContact CB-CD1 3.96Å; L279-Y308 HydrophobicContact CB-CE1 3.59Å; L279-Y308 HydrophobicContact CB-CE2 4.43Å; L279-Y308 HydrophobicContact CD1-CD1 3.73Å; L279-Y308 HydrophobicContact CD1-CE1 3.92Å; L279-Y308 HydrophobicContact CG-CD1 3.63Å; L279-Y308 HydrophobicContact CG-CE1 3.81Å; L279-Y308 HydrophobicContact CG-CG 4.12Å; L279-Y308 PolarHBondContact N-OH 2.88Å; A282-Y308 HydrophobicContact CB-CD2 3.69Å; A282-Y308 HydrophobicContact CB-CE2 3.67Å; H304-Y308 PolarHBondContact O-N 2.98Å; L305-Y308 PolarHBondContact O-N 3.29Å; L305-Y308 VanDerWaalsContact O-N 3.15Å; N306-Y308 VanDerWaalsContact C-N 3.34Å; N306-Y308 PolarHBondContact O-N 3.11Å; Y308-L310 VanDerWaalsContact C-N 3.32Å; Y308-L310 PolarHBondContact O-N 3.21Å; Y308-R311 CarbonylContact O-C 3.52Å; Y308-R311 PolarHBondContact O-N 3.22Å; Y308-H312 HydrophobicContact CD1-CB 4.14Å; Y308-H312 AromaticContact CD2-CE1 3.97Å; Y308-H312 AromaticContact CD2-ND1 3.56Å; Y308-H312 HydrophobicContact CE1-CB 3.71Å; Y308-H312 AromaticContact CE1-CG 3.97Å; Y308-H312 AromaticContact CE2-CE1 3.73Å; Y308-H312 AromaticContact CE2-CG 3.98Å; Y308-H312 AromaticContact CE2-ND1 3.47Å; Y308-H312 WeakPolarHBondContact CE2-ND1 3.43Å; Y308-H312 AromaticContact CG-ND1 3.89Å; Y308-H312 AromaticContact CZ-CG 3.75Å; Y308-H312 AromaticContact CZ-ND1 3.71Å; Y308-H312 WeakPolarHBondContact O-CB 3.12Å; Y308-H312 PolarHBondContact O-N 2.9Å; Y308-H312 PolarHBondContact O-ND1 3.09Å; Y308-H312 VanDerWaalsContact O-ND1 3.1Å
309	L	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.4	-26.9	-177.4	-66.9	179.1	0	0	0	113.6	L227 Y264 L279 L305 N306 R311 H312 P314	L227-L309 HydrophobicContact CD1-CD2 4.31Å; L227-L309 HydrophobicContact CD2-CD2 3.87Å; L227-L309 HydrophobicContact CG-CD2 4.13Å; Y264-L309 HydrophobicContact CD1-CD1 4.01Å; Y264-L309 HydrophobicContact CD2-CB 3.75Å; Y264-L309 HydrophobicContact CD2-CD1 3.62Å; Y264-L309 HydrophobicContact CD2-CG 4.34Å; Y264-L309 HydrophobicContact CE1-CD1 4.47Å; Y264-L309 HydrophobicContact CE2-CB 3.66Å; Y264-L309 HydrophobicContact CE2-CD1 4.12Å; Y264-L309 HydrophobicContact CG-CD1 3.53Å; L279-L309 HydrophobicContact CD1-CD2 4.22Å; L305-L309 HydrophobicContact CD1-CD1 3.8Å; L305-L309 HydrophobicContact CD1-CG 4.02Å; L305-L309 HydrophobicContact CG-CD1 4.03Å; L305-L309 HydrophobicContact CG-CG 4.5Å; L305-L309 WeakPolarHBondContact O-CG 3.36Å; L305-L309 PolarHBondContact O-N 3Å; N306-L309 PolarHBondContact O-N 2.73Å; L309-R311 VanDerWaalsContact C-N 3.3Å; L309-H312 WeakPolarHBondContact CA-O 3.48Å; L309-H312 CarbonylContact O-C 3.59Å; L309-P314 HydrophobicContact CD2-CB 4.19Å; L309-P314 HydrophobicContact CD2-CG 4.43Å
310	L	98.8	Very high	98.8	Very high	13 Å²	13	25.3 Å²	25.3	7%	0.068	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-38.5	169.3	175.6	62.1	0	0	0	111.5	I255 E259 N306 Y308 K313	I255-L310 HydrophobicContact CB-CD2 4.45Å; I255-L310 HydrophobicContact CD1-CD2 3.96Å; I255-L310 HydrophobicContact CG1-CD2 3.94Å; I255-L310 HydrophobicContact CG2-CD2 3.72Å; E259-L310 HydrophobicContact CB-CD2 4.29Å; N306-L310 WeakPolarHBondContact O-CB 3.16Å; N306-L310 PolarHBondContact O-N 2.82Å; Y308-L310 VanDerWaalsContact C-N 3.32Å; Y308-L310 PolarHBondContact O-N 3.21Å; L310-K313 WeakPolarHBondContact O-CE 3.43Å; L310-K313 PolarHBondContact O-NZ 3.42Å
311	R	98.8	Very high	98.8	Very high	129 Å²	129	24.5 Å²	24.5	49%	0.487	11%	0.11	S	C	.	.	H	α-helix	trans	-91.6	-24	-177.3	-60.2	-58.3	-175.8	-146.7	-5.5	113.5	E259 K307 Y308 L309	E259-R311 IonicContact OE1-NH2 3.5Å; E259-R311 PolarHBondContact OE1-NH2 3.19Å; E259-R311 IonicContact OE2-CZ 3.88Å; E259-R311 IonicContact OE2-NH1 3.49Å; E259-R311 PolarHBondContact OE2-NH1 2.92Å; E259-R311 IonicContact OE2-NH2 3.69Å; E259-R311 PolarHBondContact OE2-NH2 3.29Å; K307-R311 HydrophobicContact CD-CG 4.39Å; K307-R311 WeakPolarHBondContact O-CG 3.45Å; K307-R311 PolarHBondContact O-N 3.18Å; Y308-R311 CarbonylContact O-C 3.52Å; Y308-R311 PolarHBondContact O-N 3.22Å; L309-R311 VanDerWaalsContact C-N 3.3Å
312	H	98.8	Very high	98.9	Very high	93 Å²	93	24.2 Å²	24.2	43%	0.431	11%	0.109	S	C	.	.	S	Bend	trans	-127.3	90.4	179.1	-51.9	88.5	0	0	0	107.9	Y308 L309	Y308-H312 HydrophobicContact CD1-CB 4.14Å; Y308-H312 AromaticContact CD2-CE1 3.97Å; Y308-H312 AromaticContact CD2-ND1 3.56Å; Y308-H312 HydrophobicContact CE1-CB 3.71Å; Y308-H312 AromaticContact CE1-CG 3.97Å; Y308-H312 AromaticContact CE2-CE1 3.73Å; Y308-H312 AromaticContact CE2-CG 3.98Å; Y308-H312 AromaticContact CE2-ND1 3.47Å; Y308-H312 WeakPolarHBondContact CE2-ND1 3.43Å; Y308-H312 AromaticContact CG-ND1 3.89Å; Y308-H312 AromaticContact CZ-CG 3.75Å; Y308-H312 AromaticContact CZ-ND1 3.71Å; Y308-H312 WeakPolarHBondContact O-CB 3.12Å; Y308-H312 PolarHBondContact O-N 2.9Å; Y308-H312 PolarHBondContact O-ND1 3.09Å; Y308-H312 VanDerWaalsContact O-ND1 3.1Å; L309-H312 WeakPolarHBondContact CA-O 3.48Å; L309-H312 CarbonylContact O-C 3.59Å
313	K	98.8	Very high	98.8	Very high	79 Å²	79	23.4 Å²	23.4	34%	0.343	11%	0.105	S	C	.	.			trans	-60.5	128.9	-170.5	-58.9	-53.3	-169.8	-169.2	0	110.7	W89 D261 L310	W89-K313 HydrophobicContact CD2-CB 4.11Å; W89-K313 HydrophobicContact CD2-CD 4.28Å; W89-K313 HydrophobicContact CD2-CG 4.18Å; W89-K313 HydrophobicContact CE3-CD 4.25Å; W89-K313 HydrophobicContact CG-CB 4.04Å; W89-K313 HydrophobicContact CG-CG 4.24Å; W89-K313 HydrophobicContact CZ3-CD 4.38Å; D261-K313 IonicContact OD1-NZ 3.38Å; D261-K313 PolarHBondContact OD1-NZ 3.41Å; D261-K313 IonicContact OD2-NZ 3.44Å; D261-K313 PolarHBondContact OD2-NZ 3.34Å; L310-K313 WeakPolarHBondContact O-CE 3.43Å; L310-K313 PolarHBondContact O-NZ 3.42Å
314	P	98.8	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.105	C	C	.	.			trans	-67.9	142.9	177.2	29.3	-35.1	0	0	0	110.6	W89 A91 L227 Y264 L309 K316 V317	W89-P314 HydrophobicContact CZ2-CG 4.12Å; W89-P314 PolarHBondContact NE1-O 3.49Å; A91-P314 VanDerWaalsContact CB-O 3.25Å; A91-P314 WeakPolarHBondContact CB-O 3.33Å; L227-P314 HydrophobicContact CG-CB 4.31Å; L227-P314 CarbonylContact O-C 3.45Å; L227-P314 WeakPolarHBondContact O-CA 3.24Å; Y264-P314 HydrophobicContact CE1-CG 4.24Å; L309-P314 HydrophobicContact CD2-CB 4.19Å; L309-P314 HydrophobicContact CD2-CG 4.43Å; P314-K316 VanDerWaalsContact C-N 3.33Å; P314-K316 WeakPolarHBondContact CB-O 3.5Å; P314-V317 HydrophobicContact CG-CG2 3.78Å
315	T	98.8	Very high	98.7	Very high	60 Å²	60	24.9 Å²	24.9	37%	0.368	11%	0.113	S	C	.	.	S	Bend	trans	-81	-13	-179.5	52.3	0	0	0	0	113.2	A91 P92 T225 P226 L227	A91-T315 WeakPolarHBondContact CB-O 3.37Å; P92-T315 WeakPolarHBondContact CD-O 3.46Å; T225-T315 WeakPolarHBondContact CG2-OG1 3.35Å; T225-T315 WeakPolarHBondContact OG1-CB 3.28Å; T225-T315 PolarHBondContact OG1-OG1 2.98Å; P226-T315 HydrophobicContact CB-CG2 4.35Å; P226-T315 WeakPolarHBondContact CD-OG1 3.49Å; L227-T315 PolarHBondContact N-OG1 2.79Å; L227-T315 PolarHBondContact O-N 2.99Å; L227-T315 PolarHBondContact O-OG1 2.83Å
316	K	98.9	Very high	98.7	Very high	32 Å²	32	28.3 Å²	28.3	14%	0.139	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.3	158.6	-63.7	-174.2	176.2	165	0	110	P92 V94 E222 L224 T225 L227 F228 P314	P92-K316 HydrophobicContact CG-CB 4.49Å; P92-K316 HydrophobicContact CG-CD 4.35Å; P92-K316 HydrophobicContact CG-CG 3.8Å; V94-K316 HydrophobicContact CG2-CB 4.4Å; V94-K316 HydrophobicContact CG2-CD 4.14Å; E222-K316 WeakPolarHBondContact O-CD 3.27Å; E222-K316 PolarHBondContact O-NZ 2.97Å; L224-K316 WeakPolarHBondContact O-CE 3.13Å; L224-K316 PolarHBondContact O-NZ 2.64Å; T225-K316 HydrophobicContact CG2-CB 3.7Å; T225-K316 HydrophobicContact CG2-CD 4.01Å; T225-K316 HydrophobicContact CG2-CG 3.66Å; L227-K316 PolarHBondContact O-N 2.86Å; F228-K316 VanDerWaalsContact CA-O 3.24Å; F228-K316 WeakPolarHBondContact CA-O 3.37Å; F228-K316 HydrophobicContact CB-CB 4.27Å; F228-K316 VanDerWaalsContact CB-O 3.29Å; F228-K316 WeakPolarHBondContact CB-O 3.22Å; P314-K316 VanDerWaalsContact C-N 3.33Å; P314-K316 WeakPolarHBondContact CB-O 3.5Å
317	V	98.9	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.8	169.3	177.6	0	0	0	0	108.4	T87 W89 P92 I93 V94 G229 L231 Y264 P314	T87-V317 HydrophobicContact CG2-CB 4.43Å; T87-V317 HydrophobicContact CG2-CG2 3.84Å; W89-V317 HydrophobicContact CZ2-CG2 4.16Å; P92-V317 PolarHBondContact O-N 3.4Å; I93-V317 CarbonylContact C-O 3.46Å; I93-V317 WeakPolarHBondContact CA-O 3.34Å; I93-V317 HydrophobicContact CG1-CB 4.25Å; I93-V317 HydrophobicContact CG2-CB 4.34Å; I93-V317 HydrophobicContact CG2-CG1 4.24Å; V94-V317 PolarHBondContact N-O 2.81Å; G229-V317 CarbonylContact O-C 3.52Å; G229-V317 WeakPolarHBondContact O-CA 3.42Å; L231-V317 HydrophobicContact CD1-CG1 4.35Å; L231-V317 HydrophobicContact CD2-CG1 3.68Å; L231-V317 HydrophobicContact CG-CG1 3.67Å; Y264-V317 HydrophobicContact CE1-CG1 4.02Å; Y264-V317 HydrophobicContact CE1-CG2 4.06Å; P314-V317 HydrophobicContact CG-CG2 3.78Å
318	L	98.9	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.2	176.2	-52.2	-172.4	0	0	0	110.1	V94 I223 F228 G229 T230 L231 F268 Y322	V94-L318 HydrophobicContact CB-CD2 3.91Å; V94-L318 HydrophobicContact CG2-CD2 3.76Å; I223-L318 HydrophobicContact CB-CD1 3.97Å; I223-L318 HydrophobicContact CB-CD2 3.77Å; I223-L318 HydrophobicContact CG2-CD1 3.9Å; I223-L318 HydrophobicContact CG2-CD2 3.77Å; F228-L318 HydrophobicContact CD2-CD1 3.62Å; F228-L318 HydrophobicContact CD2-CG 3.82Å; F228-L318 HydrophobicContact CE2-CD1 3.61Å; F228-L318 HydrophobicContact CE2-CG 4.33Å; F228-L318 HydrophobicContact CG-CG 4.48Å; F228-L318 HydrophobicContact CZ-CD1 4.5Å; G229-L318 PolarHBondContact O-N 3.44Å; T230-L318 HydrophobicContact CG2-CB 3.97Å; L231-L318 WeakPolarHBondContact CG-O 3.4Å; L231-L318 PolarHBondContact N-O 2.84Å; F268-L318 HydrophobicContact CD1-CD1 4.35Å; F268-L318 HydrophobicContact CE1-CD1 3.93Å; F268-L318 HydrophobicContact CZ-CD1 4.08Å; L318-Y322 HydrophobicContact CB-CD2 3.98Å; L318-Y322 HydrophobicContact CB-CG 4.04Å; L318-Y322 HydrophobicContact CD1-CD1 4.23Å; L318-Y322 HydrophobicContact CD1-CG 4.1Å
319	S	98.8	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.			trans	-68.1	167.8	173	65.8	0	0	0	0	112	V94 W95 E321 Y322	V94-S319 WeakPolarHBondContact O-CB 3.4Å; V94-S319 PolarHBondContact O-N 3.37Å; V94-S319 VanDerWaalsContact O-N 3.17Å; V94-S319 PolarHBondContact O-OG 3.05Å; W95-S319 VanDerWaalsContact CE3-CB 3.42Å; S319-E321 PolarHBondContact O-N 2.88Å; S319-E321 WeakPolarHBondContact OG-CB 3.41Å; S319-E321 WeakPolarHBondContact OG-CG 3.38Å; S319-E321 PolarHBondContact OG-N 3.37Å; S319-Y322 PolarHBondContact O-N 2.94Å; S319-Y322 VanDerWaalsContact O-N 3.07Å
320	P	98.6	Very high	98.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-63.2	-7.3	173.9	-19.7	32.8	0	0	0	114.4	W95 L231 P233 Y236 Y322 L323 W324 L335	W95-P320 VanDerWaalsContact CH2-CD 3.48Å; W95-P320 HydrophobicContact CH2-CG 4.36Å; L231-P320 HydrophobicContact CB-CG 4.1Å; P233-P320 HydrophobicContact CB-CB 4.31Å; Y236-P320 HydrophobicContact CD1-CB 4.4Å; Y236-P320 HydrophobicContact CD1-CG 3.71Å; Y236-P320 HydrophobicContact CD2-CG 4.19Å; Y236-P320 HydrophobicContact CE1-CG 4.43Å; Y236-P320 HydrophobicContact CG-CG 3.57Å; P320-Y322 PolarHBondContact O-N 3.02Å; P320-L323 CarbonylContact O-C 3.43Å; P320-L323 VanDerWaalsContact O-C 3.31Å; P320-L323 PolarHBondContact O-N 3.31Å; P320-L323 VanDerWaalsContact O-O 3.05Å; P320-W324 HydrophobicContact CB-CE3 3.58Å; P320-W324 HydrophobicContact CB-CZ3 3.64Å; P320-L335 HydrophobicContact CB-CD2 4.09Å
321	E	98.8	Very high	98.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29.7	169.4	-60.1	-178.6	172.7	0	0	111.3	R81 W95 E96 S319 L335 K337 R339	R81-E321 IonicContact NH1-OE1 3.11Å; W95-E321 HydrophobicContact CE3-CG 4.15Å; W95-E321 HydrophobicContact CZ3-CG 4.47Å; E96-E321 WeakPolarHBondContact CB-OE1 3.39Å; E96-E321 WeakPolarHBondContact CB-OE2 3.42Å; E96-E321 PolarHBondContact N-OE1 2.75Å; E96-E321 PolarHBondContact N-OE2 3.2Å; S319-E321 PolarHBondContact O-N 2.88Å; S319-E321 WeakPolarHBondContact OG-CB 3.41Å; S319-E321 WeakPolarHBondContact OG-CG 3.38Å; S319-E321 PolarHBondContact OG-N 3.37Å; E321-L335 HydrophobicContact CG-CD2 3.73Å; E321-K337 WeakPolarHBondContact CB-O 3.45Å; E321-K337 WeakPolarHBondContact CG-O 3.48Å; E321-R339 HydrophobicContact CB-CG 4.28Å; E321-R339 WeakPolarHBondContact O-CA 3.47Å; E321-R339 VanDerWaalsContact O-CB 3.24Å; E321-R339 WeakPolarHBondContact O-CB 3.39Å; E321-R339 WeakPolarHBondContact O-CG 3.11Å; E321-R339 PolarHBondContact O-N 3.11Å; E321-R339 IonicContact OE2-CZ 3.62Å; E321-R339 IonicContact OE2-NE 3.73Å; E321-R339 PolarHBondContact OE2-NE 2.63Å; E321-R339 VanDerWaalsContact OE2-NE 3.1Å; E321-R339 IonicContact OE2-NH2 2.68Å; E321-R339 PolarHBondContact OE2-NH2 3.34Å
322	Y	98.8	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-88.8	-6.4	-177	-69	-91	0	0	0	113.9	V94 V219 E222 I223 F268 L318 S319 P320 R339 F340	V94-Y322 HydrophobicContact CB-CE2 4.2Å; V94-Y322 HydrophobicContact CG1-CE2 3.81Å; V94-Y322 WeakPolarHBondContact CG1-OH 3.23Å; V94-Y322 WeakPolarHBondContact O-CE2 3.48Å; V219-Y322 HydrophobicContact CG1-CD1 4.17Å; V219-Y322 HydrophobicContact CG1-CE1 4.28Å; V219-Y322 HydrophobicContact CG2-CD1 4.17Å; V219-Y322 HydrophobicContact CG2-CE1 4.38Å; E222-Y322 WeakPolarHBondContact CG-OH 3.28Å; E222-Y322 WeakPolarHBondContact OE1-CE1 3.4Å; E222-Y322 PolarHBondContact OE1-OH 2.92Å; I223-Y322 HydrophobicContact CG2-CD1 3.81Å; I223-Y322 HydrophobicContact CG2-CE1 3.35Å; F268-Y322 WeakPolarHBondContact CD2-O 3.27Å; F268-Y322 VanDerWaalsContact CE2-O 3.22Å; F268-Y322 WeakPolarHBondContact CE2-O 3.38Å; L318-Y322 HydrophobicContact CB-CD2 3.98Å; L318-Y322 HydrophobicContact CB-CG 4.04Å; L318-Y322 HydrophobicContact CD1-CD1 4.23Å; L318-Y322 HydrophobicContact CD1-CG 4.1Å; S319-Y322 PolarHBondContact O-N 2.94Å; S319-Y322 VanDerWaalsContact O-N 3.07Å; P320-Y322 PolarHBondContact O-N 3.02Å; Y322-R339 VanDerWaalsContact CE1-CD 3.43Å; Y322-R339 VanDerWaalsContact CZ-CD 3.43Å; Y322-F340 WeakPolarHBondContact O-CB 3.48Å
323	L	97.5	Very high	98.2	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	-160.2	114.6	165.1	-164.9	147.8	0	0	0	110.2	M213 T230 P233 L265 F268 P320 F340	M213-L323 HydrophobicContact CE-CD1 3.7Å; M213-L323 HydrophobicContact CE-CD2 3.95Å; M213-L323 HydrophobicContact CE-CG 3.99Å; M213-L323 HydrophobicContact SD-CD1 4.44Å; M213-L323 HydrophobicContact SD-CG 4.38Å; T230-L323 HydrophobicContact CG2-CB 4.16Å; P233-L323 HydrophobicContact CG-CD2 4.23Å; L265-L323 HydrophobicContact CD1-CD1 4.41Å; L265-L323 HydrophobicContact CD1-CD2 3.46Å; L265-L323 VanDerWaalsContact CD1-CD2 3.46Å; L265-L323 HydrophobicContact CD1-CG 4.4Å; L265-L323 HydrophobicContact CD2-CD1 3.35Å; L265-L323 HydrophobicContact CD2-CD2 3.99Å; L265-L323 HydrophobicContact CD2-CG 4.16Å; L265-L323 HydrophobicContact CG-CD2 4.43Å; F268-L323 HydrophobicContact CB-CD1 3.79Å; F268-L323 HydrophobicContact CD2-CB 4.5Å; F268-L323 HydrophobicContact CD2-CD1 4.48Å; P320-L323 CarbonylContact O-C 3.43Å; P320-L323 VanDerWaalsContact O-C 3.31Å; P320-L323 PolarHBondContact O-N 3.31Å; P320-L323 VanDerWaalsContact O-O 3.05Å; L323-F340 VanDerWaalsContact CA-O 3.28Å; L323-F340 WeakPolarHBondContact CA-O 3.37Å; L323-F340 HydrophobicContact CB-CD1 4.48Å; L323-F340 HydrophobicContact CD1-CD1 4.12Å; L323-F340 HydrophobicContact CD1-CE1 4.09Å; L323-F340 HydrophobicContact CG-CD1 4.24Å
324	W	98.6	Very high	98.2	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.011	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-138.3	147.6	-172.2	-165.8	-106.5	0	0	0	113.4	P233 Y236 P320 L329 G330 P332 L335 L338 F340 T341 A342	P233-W324 HydrophobicContact CB-CD2 4.18Å; P233-W324 HydrophobicContact CB-CE3 3.28Å; P233-W324 HydrophobicContact CB-CH2 4.41Å; P233-W324 HydrophobicContact CB-CZ3 3.41Å; P233-W324 VanDerWaalsContact CB-CZ3 3.41Å; Y236-W324 HydrophobicContact CD1-CZ3 4.28Å; Y236-W324 AromaticContact CE1-CH2 3.78Å; Y236-W324 HydrophobicContact CE1-CH2 3.78Å; Y236-W324 AromaticContact CE1-CZ3 3.74Å; Y236-W324 HydrophobicContact CE1-CZ3 3.74Å; P320-W324 HydrophobicContact CB-CE3 3.58Å; P320-W324 HydrophobicContact CB-CZ3 3.64Å; W324-L329 HydrophobicContact CE3-CD1 4.41Å; W324-L329 HydrophobicContact CH2-CB 3.86Å; W324-L329 HydrophobicContact CH2-CD1 3.9Å; W324-L329 HydrophobicContact CH2-CG 4.49Å; W324-L329 HydrophobicContact CZ2-CB 3.3Å; W324-L329 HydrophobicContact CZ2-CD1 4.04Å; W324-L329 HydrophobicContact CZ2-CG 4.32Å; W324-L329 HydrophobicContact CZ3-CD1 4.09Å; W324-G330 PolarHBondContact NE1-O 2.9Å; W324-P332 HydrophobicContact CH2-CG 3.88Å; W324-P332 VanDerWaalsContact CZ2-CD 3.42Å; W324-P332 HydrophobicContact CZ2-CG 3.68Å; W324-L335 HydrophobicContact CD2-CD1 3.41Å; W324-L335 VanDerWaalsContact CD2-CD1 3.41Å; W324-L335 VanDerWaalsContact CE2-CD1 3.43Å; W324-L335 HydrophobicContact CE3-CD1 3.45Å; W324-L335 VanDerWaalsContact CE3-CD1 3.45Å; W324-L335 HydrophobicContact CG-CD1 4.15Å; W324-L335 HydrophobicContact CH2-CD1 3.66Å; W324-L335 HydrophobicContact CZ2-CD1 3.56Å; W324-L335 HydrophobicContact CZ3-CD1 3.6Å; W324-L338 HydrophobicContact CB-CD2 4.15Å; W324-L338 HydrophobicContact CD2-CD2 4.34Å; W324-L338 HydrophobicContact CG-CD2 3.74Å; W324-F340 PolarHBondContact N-O 3.49Å; W324-T341 HydrophobicContact CB-CG2 4.31Å; W324-T341 CarbonylContact O-C 3.54Å; W324-T341 WeakPolarHBondContact O-CA 3.38Å; W324-A342 PolarHBondContact O-N 2.72Å
325	D	98.3	Very high	98.2	Very high	36 Å²	36	43.4 Å²	43.4	19%	0.193	24%	0.239	C	C	.	.			trans	-112.3	97.9	168.6	-170.6	-37.9	0	0	0	109	Q327 L328 L329 A342	D325-Q327 VanDerWaalsContact C-N 3.27Å; D325-Q327 PolarHBondContact O-N 3.42Å; D325-Q327 WeakPolarHBondContact OD1-CB 3.25Å; D325-Q327 PolarHBondContact OD1-N 2.77Å; D325-L328 HydrophobicContact CB-CB 4.3Å; D325-L328 PolarHBondContact O-N 2.99Å; D325-L328 PolarHBondContact OD1-N 3.02Å; D325-L328 WeakPolarHBondContact OD2-CD1 3.2Å; D325-L329 VanDerWaalsContact O-CB 3.29Å; D325-L329 WeakPolarHBondContact O-CB 3.49Å; D325-L329 PolarHBondContact O-N 2.9Å; D325-A342 HydrophobicContact CB-CB 4.14Å
326	Q	97.5	Very high	98.1	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	25%	0.245	S	C	.	.	H	α-helix	trans	-68.5	-28.9	-178.3	-168.5	-176.7	12.5	0	0	112.2	G330 L338	Q326-G330 VanDerWaalsContact O-CA 3.29Å; Q326-G330 WeakPolarHBondContact O-CA 3.37Å; Q326-G330 PolarHBondContact O-N 2.84Å; Q326-L338 HydrophobicContact CB-CD1 4.38Å; Q326-L338 HydrophobicContact CG-CD1 4.16Å
327	Q	96.6	Very high	98.1	Very high	144 Å²	144	47.6 Å²	47.6	67%	0.673	25%	0.248	S	C	*	.	H	α-helix	trans	-68.8	-41	-179.4	-177	178.3	5.7	0	0	110.8	D325	D325-Q327 VanDerWaalsContact C-N 3.27Å; D325-Q327 PolarHBondContact O-N 3.42Å; D325-Q327 WeakPolarHBondContact OD1-CB 3.25Å; D325-Q327 PolarHBondContact OD1-N 2.77Å
328	L	96.6	Very high	98.1	Very high	134 Å²	134	48 Å²	48	70%	0.702	25%	0.251	S	S	*	.	H	α-helix	trans	-86	-32.9	-178.7	-64.7	-178.3	0	0	0	113.4	D325	D325-L328 HydrophobicContact CB-CB 4.3Å; D325-L328 PolarHBondContact O-N 2.99Å; D325-L328 PolarHBondContact OD1-N 3.02Å; D325-L328 WeakPolarHBondContact OD2-CD1 3.2Å
329	L	97.9	Very high	98.1	Very high	70 Å²	70	48 Å²	48	37%	0.366	25%	0.251	S	S	.	.	H	α-helix	trans	-118.1	-0.9	-166.9	-55.1	170.2	0	0	0	113.8	P233 W324 D325	P233-L329 HydrophobicContact CB-CD1 3.58Å; P233-L329 HydrophobicContact CG-CD1 4.11Å; W324-L329 HydrophobicContact CE3-CD1 4.41Å; W324-L329 HydrophobicContact CH2-CB 3.86Å; W324-L329 HydrophobicContact CH2-CD1 3.9Å; W324-L329 HydrophobicContact CH2-CG 4.49Å; W324-L329 HydrophobicContact CZ2-CB 3.3Å; W324-L329 HydrophobicContact CZ2-CD1 4.04Å; W324-L329 HydrophobicContact CZ2-CG 4.32Å; W324-L329 HydrophobicContact CZ3-CD1 4.09Å; D325-L329 VanDerWaalsContact O-CB 3.29Å; D325-L329 WeakPolarHBondContact O-CB 3.49Å; D325-L329 PolarHBondContact O-N 2.9Å
330	G	98.1	Very high	98.1	Very high	34 Å²	34	48 Å²	48	35%	0.351	25%	0.251	S	S	.	.			trans	64.7	-148.1	-177.4	0	0	0	0	0	112.4	W324 Q326	W324-G330 PolarHBondContact NE1-O 2.9Å; Q326-G330 VanDerWaalsContact O-CA 3.29Å; Q326-G330 WeakPolarHBondContact O-CA 3.37Å; Q326-G330 PolarHBondContact O-N 2.84Å
331	W	98.3	Very high	98.1	Very high	146 Å²	146	48.1 Å²	48.1	55%	0.553	25%	0.251	S	S	*	.			trans	-133.3	86.5	174.7	-168.9	-17.4	0	0	0	110	L335 L338	W331-L335 PolarHBondContact NE1-O 2.7Å; W331-L338 HydrophobicContact CB-CD1 4.34Å; W331-L338 HydrophobicContact CD2-CD1 3.58Å; W331-L338 HydrophobicContact CD2-CG 3.87Å; W331-L338 HydrophobicContact CE3-CD1 3.77Å; W331-L338 HydrophobicContact CE3-CG 4.35Å; W331-L338 HydrophobicContact CG-CD1 3.85Å; W331-L338 HydrophobicContact CG-CD2 4.45Å; W331-L338 HydrophobicContact CG-CG 4.2Å; W331-L338 HydrophobicContact CZ2-CG 4.08Å; W331-L338 HydrophobicContact CZ3-CD1 4.31Å
332	P	97.8	Very high	98.1	Very high	36 Å²	36	48.8 Å²	48.8	23%	0.234	26%	0.257	C	S	.	.			trans	-69.3	148	179.9	28	-35.5	0	0	0	112	W324 V334 L335	W324-P332 HydrophobicContact CH2-CG 3.88Å; W324-P332 VanDerWaalsContact CZ2-CD 3.42Å; W324-P332 HydrophobicContact CZ2-CG 3.68Å; P332-V334 HydrophobicContact CB-CG1 4.28Å; P332-V334 HydrophobicContact CG-CG1 4.27Å; P332-V334 PolarHBondContact O-N 3.1Å; P332-L335 HydrophobicContact CG-CD1 3.78Å; P332-L335 HydrophobicContact CG-CG 4.06Å; P332-L335 PolarHBondContact O-N 3.26Å
333	A	97.4	Very high	98.1	Very high	102 Å²	102	49.9 Å²	49.9	84%	0.843	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.5	-174.7	0	0	0	0	0	114.9	L335	A333-L335 PolarHBondContact O-N 3.06Å
334	V	97.9	Very high	97.9	Very high	33 Å²	33	53.8 Å²	53.8	20%	0.2	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.4	175.7	69.7	0	0	0	0	112.4	R81 V84 W95 Y236 P332	R81-V334 PolarHBondContact NH2-O 3.41Å; V84-V334 HydrophobicContact CG1-CG2 3.8Å; W95-V334 HydrophobicContact CH2-CG2 4.31Å; W95-V334 HydrophobicContact CZ3-CG2 4.11Å; Y236-V334 HydrophobicContact CE2-CG1 4.14Å; P332-V334 HydrophobicContact CB-CG1 4.28Å; P332-V334 HydrophobicContact CG-CG1 4.27Å; P332-V334 PolarHBondContact O-N 3.1Å
335	L	98.4	Very high	97.7	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	30%	0.3	C	S	.	.			trans	-90.9	104.2	176.5	-58.6	176.3	0	0	0	109.3	W95 P320 E321 W324 W331 P332 A333 K337 L338	W95-L335 HydrophobicContact CH2-CD2 4.46Å; W95-L335 HydrophobicContact CZ3-CD2 3.77Å; P320-L335 HydrophobicContact CB-CD2 4.09Å; E321-L335 HydrophobicContact CG-CD2 3.73Å; W324-L335 HydrophobicContact CD2-CD1 3.41Å; W324-L335 VanDerWaalsContact CD2-CD1 3.41Å; W324-L335 VanDerWaalsContact CE2-CD1 3.43Å; W324-L335 HydrophobicContact CE3-CD1 3.45Å; W324-L335 VanDerWaalsContact CE3-CD1 3.45Å; W324-L335 HydrophobicContact CG-CD1 4.15Å; W324-L335 HydrophobicContact CH2-CD1 3.66Å; W324-L335 HydrophobicContact CZ2-CD1 3.56Å; W324-L335 HydrophobicContact CZ3-CD1 3.6Å; W331-L335 PolarHBondContact NE1-O 2.7Å; P332-L335 HydrophobicContact CG-CD1 3.78Å; P332-L335 HydrophobicContact CG-CG 4.06Å; P332-L335 PolarHBondContact O-N 3.26Å; A333-L335 PolarHBondContact O-N 3.06Å; L335-K337 VanDerWaalsContact C-N 3.29Å; L335-L338 HydrophobicContact CB-CD2 4.09Å; L335-L338 HydrophobicContact CD1-CD2 3.68Å
336	R	98.5	Very high	97.6	Very high	130 Å²	130	59.5 Å²	59.5	49%	0.491	32%	0.317	S	S	.	.	S	Bend	trans	-76.1	-23.2	177.1	-62.6	-178.1	178.6	-178.9	-0.3	112.2	E96	E96-R336 HydrophobicContact CB-CB 3.9Å; E96-R336 HydrophobicContact CG-CB 3.97Å
337	K	98.7	Very high	97.2	Very high	49 Å²	49	60.4 Å²	60.4	21%	0.213	32%	0.321	C	S	.	.			trans	-139.1	147.7	178.1	-71.1	177.5	170.6	-87.3	0	110.3	E96 D217 E321 L335 R339	E96-K337 HydrophobicContact CB-CD 4.42Å; E96-K337 VanDerWaalsContact CD-CE 3.4Å; E96-K337 HydrophobicContact CG-CD 3.98Å; E96-K337 HydrophobicContact CG-CG 4.27Å; E96-K337 WeakPolarHBondContact OE2-CD 3.34Å; E96-K337 WeakPolarHBondContact OE2-CE 3.49Å; D217-K337 IonicContact OD1-NZ 3.47Å; D217-K337 PolarHBondContact OD1-NZ 2.91Å; D217-K337 WeakPolarHBondContact OD2-CD 3.42Å; D217-K337 WeakPolarHBondContact OD2-CG 3.29Å; D217-K337 IonicContact OD2-NZ 3.64Å; D217-K337 PolarHBondContact OD2-NZ 3.02Å; E321-K337 WeakPolarHBondContact CB-O 3.45Å; E321-K337 WeakPolarHBondContact CG-O 3.48Å; L335-K337 VanDerWaalsContact C-N 3.29Å; K337-R339 HydrophobicContact CB-CG 4.1Å
338	L	98.8	Very high	96.9	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.047	32%	0.319	C	S	.	.			trans	-112.3	101.8	166.2	-58.1	-176.1	0	0	0	107	R216 W324 Q326 W331 L335 T341	R216-L338 WeakPolarHBondContact CB-O 3.42Å; W324-L338 HydrophobicContact CB-CD2 4.15Å; W324-L338 HydrophobicContact CD2-CD2 4.34Å; W324-L338 HydrophobicContact CG-CD2 3.74Å; Q326-L338 HydrophobicContact CB-CD1 4.38Å; Q326-L338 HydrophobicContact CG-CD1 4.16Å; W331-L338 HydrophobicContact CB-CD1 4.34Å; W331-L338 HydrophobicContact CD2-CD1 3.58Å; W331-L338 HydrophobicContact CD2-CG 3.87Å; W331-L338 HydrophobicContact CE3-CD1 3.77Å; W331-L338 HydrophobicContact CE3-CG 4.35Å; W331-L338 HydrophobicContact CG-CD1 3.85Å; W331-L338 HydrophobicContact CG-CD2 4.45Å; W331-L338 HydrophobicContact CG-CG 4.2Å; W331-L338 HydrophobicContact CZ2-CG 4.08Å; W331-L338 HydrophobicContact CZ3-CD1 4.31Å; L335-L338 HydrophobicContact CB-CD2 4.09Å; L335-L338 HydrophobicContact CD1-CD2 3.68Å; L338-T341 HydrophobicContact CB-CG2 3.95Å
339	R	98.8	Very high	96.7	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	31%	0.308	C	S	.	.			trans	-91.8	-38.6	-166.3	-52.9	168.6	-176.9	-81.9	0.1	112.6	E96 F215 R216 D217 H218 V219 E321 Y322 K337	E96-R339 IonicContact OE2-CZ 3.41Å; E96-R339 IonicContact OE2-NH1 3.49Å; E96-R339 IonicContact OE2-NH2 3.91Å; E96-R339 PolarHBondContact OE2-NH2 3.33Å; F215-R339 CarbonylContact C-O 3.53Å; F215-R339 WeakPolarHBondContact CA-O 3.48Å; R216-R339 PolarHBondContact N-O 3.3Å; D217-R339 HydrophobicContact CB-CB 4.39Å; D217-R339 HydrophobicContact CB-CG 4.25Å; D217-R339 PolarHBondContact N-O 2.68Å; H218-R339 WeakPolarHBondContact O-CD 3.46Å; H218-R339 PolarHBondContact O-NH1 2.81Å; V219-R339 HydrophobicContact CG2-CB 3.68Å; E321-R339 HydrophobicContact CB-CG 4.28Å; E321-R339 WeakPolarHBondContact O-CA 3.47Å; E321-R339 VanDerWaalsContact O-CB 3.24Å; E321-R339 WeakPolarHBondContact O-CB 3.39Å; E321-R339 WeakPolarHBondContact O-CG 3.11Å; E321-R339 PolarHBondContact O-N 3.11Å; E321-R339 IonicContact OE2-CZ 3.62Å; E321-R339 IonicContact OE2-NE 3.73Å; E321-R339 PolarHBondContact OE2-NE 2.63Å; E321-R339 VanDerWaalsContact OE2-NE 3.1Å; E321-R339 IonicContact OE2-NH2 2.68Å; E321-R339 PolarHBondContact OE2-NH2 3.34Å; Y322-R339 VanDerWaalsContact CE1-CD 3.43Å; Y322-R339 VanDerWaalsContact CZ-CD 3.43Å; K337-R339 HydrophobicContact CB-CG 4.1Å
340	F	98.8	Very high	96.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	122.5	-179.2	-177.9	-120.1	0	0	0	108.5	F132 V209 M213 E214 F215 F268 Y322 L323 W324	F132-F340 HydrophobicContact CD2-CE2 4.24Å; F132-F340 HydrophobicContact CD2-CZ 4.48Å; F132-F340 AromaticContact CE2-CE2 3.94Å; F132-F340 HydrophobicContact CE2-CE2 3.94Å; F132-F340 AromaticContact CE2-CZ 3.94Å; F132-F340 HydrophobicContact CE2-CZ 3.94Å; V209-F340 HydrophobicContact CB-CE1 4.17Å; V209-F340 HydrophobicContact CB-CZ 4.08Å; V209-F340 HydrophobicContact CG1-CE1 4.32Å; V209-F340 HydrophobicContact CG2-CZ 4.27Å; M213-F340 HydrophobicContact CB-CD1 4.35Å; M213-F340 HydrophobicContact CB-CD2 4.04Å; M213-F340 HydrophobicContact CB-CE1 3.66Å; M213-F340 HydrophobicContact CB-CE2 3.28Å; M213-F340 HydrophobicContact CB-CZ 3.08Å; M213-F340 HydrophobicContact CG-CD1 4.43Å; M213-F340 HydrophobicContact CG-CE1 3.61Å; M213-F340 HydrophobicContact CG-CE2 4.18Å; M213-F340 HydrophobicContact CG-CZ 3.48Å; M213-F340 VanDerWaalsContact CG-CZ 3.48Å; M213-F340 HydrophobicContact SD-CE1 4.29Å; E214-F340 CarbonylContact O-C 3.54Å; E214-F340 WeakPolarHBondContact O-CA 3.36Å; E214-F340 WeakPolarHBondContact O-CD2 3.3Å; F215-F340 HydrophobicContact CD1-CB 4.3Å; F215-F340 AromaticContact CD1-CD2 3.62Å; F215-F340 HydrophobicContact CD1-CD2 3.62Å; F215-F340 HydrophobicContact CD1-CE2 4.28Å; F215-F340 HydrophobicContact CD1-CG 4.29Å; F215-F340 AromaticContact CD2-CD2 3.83Å; F215-F340 HydrophobicContact CD2-CD2 3.83Å; F215-F340 AromaticContact CD2-CE2 3.84Å; F215-F340 HydrophobicContact CD2-CE2 3.84Å; F215-F340 AromaticContact CE1-CD2 3.63Å; F215-F340 HydrophobicContact CE1-CD2 3.63Å; F215-F340 AromaticContact CE1-CE2 3.97Å; F215-F340 HydrophobicContact CE1-CE2 3.97Å; F215-F340 HydrophobicContact CE1-CG 4.22Å; F215-F340 AromaticContact CE2-CD2 3.84Å; F215-F340 HydrophobicContact CE2-CD2 3.84Å; F215-F340 AromaticContact CE2-CE2 3.49Å; F215-F340 HydrophobicContact CE2-CE2 3.49Å; F215-F340 VanDerWaalsContact CE2-CE2 3.49Å; F215-F340 HydrophobicContact CE2-CZ 4.46Å; F215-F340 AromaticContact CG-CD2 3.72Å; F215-F340 HydrophobicContact CG-CD2 3.72Å; F215-F340 HydrophobicContact CG-CE2 4.22Å; F215-F340 AromaticContact CZ-CD2 3.74Å; F215-F340 HydrophobicContact CZ-CD2 3.74Å; F215-F340 AromaticContact CZ-CE2 3.56Å; F215-F340 HydrophobicContact CZ-CE2 3.56Å; F215-F340 HydrophobicContact CZ-CZ 4.29Å; F268-F340 AromaticContact CD2-CD1 3.79Å; F268-F340 HydrophobicContact CD2-CD1 3.79Å; F268-F340 HydrophobicContact CD2-CE1 4.14Å; F268-F340 HydrophobicContact CE2-CD1 4.08Å; Y322-F340 WeakPolarHBondContact O-CB 3.48Å; L323-F340 VanDerWaalsContact CA-O 3.28Å; L323-F340 WeakPolarHBondContact CA-O 3.37Å; L323-F340 HydrophobicContact CB-CD1 4.48Å; L323-F340 HydrophobicContact CD1-CD1 4.12Å; L323-F340 HydrophobicContact CD1-CE1 4.09Å; L323-F340 HydrophobicContact CG-CD1 4.24Å; W324-F340 PolarHBondContact N-O 3.49Å
341	T	98.7	Very high	96.2	Very high	1 Å²	1	55 Å²	55	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.8	-165.3	56.6	0	0	0	0	113	M213 E214 R216 W324 L338	M213-T341 CarbonylContact C-O 3.52Å; M213-T341 VanDerWaalsContact CA-O 3.27Å; M213-T341 WeakPolarHBondContact CA-O 3.46Å; E214-T341 WeakPolarHBondContact CG-OG1 3.43Å; E214-T341 PolarHBondContact N-O 3Å; E214-T341 PolarHBondContact O-N 3.31Å; R216-T341 VanDerWaalsContact CD-OG1 3.3Å; R216-T341 WeakPolarHBondContact CD-OG1 3.36Å; R216-T341 PolarHBondContact NE-OG1 2.99Å; W324-T341 HydrophobicContact CB-CG2 4.31Å; W324-T341 CarbonylContact O-C 3.54Å; W324-T341 WeakPolarHBondContact O-CA 3.38Å; L338-T341 HydrophobicContact CB-CG2 3.95Å
342	A	98.3	Very high	95.5	Very high	14 Å²	14	51 Å²	51	12%	0.116	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	134.4	176.2	0	0	0	0	0	112.2	M213 W324 D325	M213-A342 WeakPolarHBondContact SD-CA 3.27Å; M213-A342 HydrophobicContact SD-CB 4.03Å; W324-A342 PolarHBondContact O-N 2.72Å; D325-A342 HydrophobicContact CB-CB 4.14Å
343	V	97.7	Very high	94.6	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-84.7	128.7	168.7	177.9	0	0	0	0	108.3	F128 L131 D212 E214 K345	F128-V343 HydrophobicContact CD1-CB 4.35Å; F128-V343 HydrophobicContact CD1-CG1 4.13Å; F128-V343 HydrophobicContact CE1-CB 4.36Å; F128-V343 HydrophobicContact CE1-CG1 4.01Å; L131-V343 HydrophobicContact CD2-CG2 3.81Å; D212-V343 PolarHBondContact O-N 3.12Å; E214-V343 HydrophobicContact CB-CG2 4.14Å; E214-V343 HydrophobicContact CG-CG2 4.25Å; V343-K345 PolarHBondContact O-N 3.41Å
344	P	94.8	Very high	94.4	Very high	88 Å²	88	55.5 Å²	55.5	57%	0.571	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.5	133.1	176.6	-27.6	35.7	0	0	0	111.9
345	K	94.8	Very high	94.2	Very high	54 Å²	54	56.7 Å²	56.7	24%	0.235	30%	0.302	C	S	.	.			trans	-152.1	149.3	-176.9	59.7	-176.7	171.9	-85.5	0	111.1	F128 D212 V343 H347	F128-K345 HydrophobicContact CE1-CB 4.45Å; F128-K345 HydrophobicContact CZ-CB 4.01Å; F128-K345 HydrophobicContact CZ-CD 4.25Å; D212-K345 HydrophobicContact CB-CD 3.99Å; D212-K345 WeakPolarHBondContact OD2-CD 3.42Å; D212-K345 WeakPolarHBondContact OD2-CE 3.35Å; D212-K345 IonicContact OD2-NZ 3.46Å; D212-K345 PolarHBondContact OD2-NZ 2.85Å; V343-K345 PolarHBondContact O-N 3.41Å; K345-H347 WeakPolarHBondContact CE-NE2 3.44Å
346	N	95.5	Very high	94	Very high	105 Å²	105	59.7 Å²	59.7	56%	0.561	32%	0.318	S	S	*	.			trans	-88.9	108.2	167.6	-177.1	-48.2	0	0	0	109	Q348 A349 V350	N346-Q348 VanDerWaalsContact C-N 3.3Å; N346-Q348 PolarHBondContact O-N 2.93Å; N346-Q348 PolarHBondContact OD1-N 3.43Å; N346-A349 HydrophobicContact CB-CB 3.99Å; N346-A349 PolarHBondContact O-N 3.39Å; N346-A349 PolarHBondContact OD1-N 3.07Å; N346-V350 WeakPolarHBondContact O-CG1 3.39Å; N346-V350 PolarHBondContact O-N 3Å
347	H	88.9	Confident	93.8	Very high	92 Å²	92	55.5 Å²	55.5	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-55.3	-41.9	-177.8	-72.4	103.5	0	0	0	113.1	K345 R351	K345-H347 WeakPolarHBondContact CE-NE2 3.44Å; H347-R351 PolarHBondContact CD2-NH2 3.28Å; H347-R351 WeakPolarHBondContact O-CB 3.46Å; H347-R351 WeakPolarHBondContact O-CD 3.44Å; H347-R351 VanDerWaalsContact O-CG 3.23Å; H347-R351 WeakPolarHBondContact O-CG 3.23Å; H347-R351 PolarHBondContact O-N 3.5Å
348	Q	89.7	Confident	93.4	Very high	134 Å²	134	55.9 Å²	55.9	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-66.8	-43.4	-179.3	-177.3	60.2	22.2	0	0	111.3	N346 N352	N346-Q348 VanDerWaalsContact C-N 3.3Å; N346-Q348 PolarHBondContact O-N 2.93Å; N346-Q348 PolarHBondContact OD1-N 3.43Å; Q348-N352 PolarHBondContact NE2-ND2 2.83Å; Q348-N352 VanDerWaalsContact NE2-ND2 3.16Å; Q348-N352 WeakPolarHBondContact O-CB 3.29Å; Q348-N352 PolarHBondContact O-N 2.74Å; Q348-N352 PolarHBondContact O-ND2 3.33Å; Q348-N352 PolarHBondContact OE1-ND2 3.16Å
349	A	92.7	Very high	93.1	Very high	56 Å²	56	59.1 Å²	59.1	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-71.9	-37.7	-177.2	0	0	0	0	0	113.2	K124 N346 N352	K124-A349 WeakPolarHBondContact CD-O 3.42Å; K124-A349 PolarHBondContact NZ-O 3.37Å; K124-A349 VanDerWaalsContact NZ-O 3.13Å; N346-A349 HydrophobicContact CB-CB 3.99Å; N346-A349 PolarHBondContact O-N 3.39Å; N346-A349 PolarHBondContact OD1-N 3.07Å; A349-N352 VanDerWaalsContact O-O 3.11Å
350	V	92.9	Very high	92.7	Very high	19 Å²	19	63.2 Å²	63.2	12%	0.115	36%	0.355	C	S	.	.	H	α-helix	trans	-82.2	-28.3	-176	77.1	0	0	0	0	113	K124 Y125 F128 N346	K124-V350 HydrophobicContact CB-CG2 4.08Å; Y125-V350 HydrophobicContact CD2-CG2 4.11Å; Y125-V350 HydrophobicContact CE2-CG1 4.03Å; Y125-V350 HydrophobicContact CE2-CG2 3.94Å; F128-V350 HydrophobicContact CE2-CG2 3.85Å; F128-V350 HydrophobicContact CZ-CG2 4.16Å; N346-V350 WeakPolarHBondContact O-CG1 3.39Å; N346-V350 PolarHBondContact O-N 3Å
351	R	91.9	Very high	92.2	Very high	61 Å²	61	68.1 Å²	68.1	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-85.8	-16.7	-178	-69.6	172.3	170.6	171	-1	113.9	Y125 W180 H347	Y125-R351 HydrophobicContact CE2-CG 4.29Å; W180-R351 HydrophobicContact CB-CB 3.96Å; W180-R351 HydrophobicContact CB-CG 3.86Å; W180-R351 HydrophobicContact CG-CB 4.14Å; W180-R351 HydrophobicContact CG-CG 4Å; H347-R351 PolarHBondContact CD2-NH2 3.28Å; H347-R351 WeakPolarHBondContact O-CB 3.46Å; H347-R351 WeakPolarHBondContact O-CD 3.44Å; H347-R351 VanDerWaalsContact O-CG 3.23Å; H347-R351 WeakPolarHBondContact O-CG 3.23Å; H347-R351 PolarHBondContact O-N 3.5Å
352	N	84.7	Confident	91.7	Very high	62 Å²	62	73.7 Å²	73.7	33%	0.332	41%	0.413	S	S	.	.			trans	-120.7	151.9	-175.7	-59.1	-72.8	0	0	0	111.2	K124 Q348 A349	K124-N352 VanDerWaalsContact CE-O 3.24Å; K124-N352 WeakPolarHBondContact CE-O 3.34Å; K124-N352 PolarHBondContact NZ-O 2.76Å; Q348-N352 PolarHBondContact NE2-ND2 2.83Å; Q348-N352 VanDerWaalsContact NE2-ND2 3.16Å; Q348-N352 WeakPolarHBondContact O-CB 3.29Å; Q348-N352 PolarHBondContact O-N 2.74Å; Q348-N352 PolarHBondContact O-ND2 3.33Å; Q348-N352 PolarHBondContact OE1-ND2 3.16Å; A349-N352 VanDerWaalsContact O-O 3.11Å
353	P	78.3	Confident	91.1	Very high	176 Å²	176	79.1 Å²	79.1	100%	1.143	44%	0.44	S	S	*	.			trans	-52	0	175.4	-27	36.3	0	0	0	114.2	K124	K124-P353 VanDerWaalsContact CE-OXT 3.28Å; K124-P353 WeakPolarHBondContact CE-OXT 3.48Å; K124-P353 PolarHBondContact NZ-OXT 2.77Å

Retrieved 353 of 353 residues in 915.6 ms (Link to these results)

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