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Histo-blood group ABO system transferase

This protein is the basis of the ABO blood group system. The histo-blood group ABO involves three carbohydrate antigens: A, B, and H. A, B, and AB individuals express a glycosyltransferase activity that converts the H antigen to the A antigen (by addition of N-acetyl-alpha-D-galactosamine (GalNAc)) or to the B antigen (by addition of galactose (Gal)), whereas O individuals lack such activity and express the H antigen precursor unmodified. Catalyzes the transfer of GalNAc or Gal in an alpha1,3 linkage to the terminal Gal of all five types of naturally occurring H antigens, forming the antigenic structures of the A and B blood groups.

AlphaFold DB , UniProt , Accession P16442, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	45.7	Very low	240 Å²	240	142.8 Å²	142.8	100%	1.182	79%	0.792	S	S	*	*				0	135.7	0	-68.7	-122.1	-87.6	0	0	107.5
2	A	40.3	Very low	45.8	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	78%	0.784	S	S	*	*			trans	18.2	133.8	162.1	0	0	0	0	0	119.9
3	E	45.4	Very low	45.5	Very low	171 Å²	171	143.8 Å²	143.8	80%	0.799	79%	0.788	S	S	*	*			cis	-176.7	175.8	-3	-129.5	-177.1	129.1	0	0	108.6
4	V	48.3	Very low	45.4	Very low	107 Å²	107	143.5 Å²	143.5	65%	0.648	80%	0.799	S	S	*	*			trans	58.7	130.9	141	166.6	0	0	0	0	120
5	L	50.1	Low	45.5	Very low	108 Å²	108	145.7 Å²	145.7	57%	0.565	80%	0.8	S	S	*	*			cis	175.1	152.6	-14.1	-135.3	63.1	0	0	0	107.4
6	R	49.7	Very low	46	Very low	216 Å²	216	141.5 Å²	141.5	82%	0.815	79%	0.79	S	S	*	*			trans	60	165.5	147.3	-73.2	173	-165.4	159.6	4.9	118
7	T	49.6	Very low	46.4	Very low	113 Å²	113	141.2 Å²	141.2	69%	0.693	79%	0.786	S	S	*	*			cis	-169.2	152.2	-15.9	32.5	0	0	0	0	105.5
8	L	43.1	Very low	46.8	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	79%	0.788	S	S	*	*			cis	-155.5	130.4	0.7	-108.2	154.2	0	0	0	109.9
9	A	47.1	Very low	47.3	Very low	94 Å²	94	142.6 Å²	142.6	78%	0.777	78%	0.778	S	S	*	*				32.8	107.6	127.8	0	0	0	0	0	120.2
10	G	40.1	Very low	48	Very low	80 Å²	80	142.7 Å²	142.7	83%	0.825	77%	0.774	S	S	*	*			trans	-147.8	88.8	163.8	0	0	0	0	0	110.3
11	K	50.5	Low	48.9	Very low	200 Å²	200	140.3 Å²	140.3	87%	0.87	76%	0.76	S	S	*	*			trans	-71.4	172.8	-176.1	-61.1	173.7	168.7	174.7	0	112.1
12	P	46.3	Very low	50.2	Low	107 Å²	107	134.1 Å²	134.1	70%	0.695	73%	0.731	S	S	*	*				-137.5	164.6	-62.1	40	-24.6	0	0	0	112.4
13	K	41.6	Very low	51.6	Low	192 Å²	192	137.3 Å²	137.3	84%	0.835	73%	0.729	S	S	*	*			trans	171.7	112.3	133.3	-96.2	159.2	-175.2	178.6	0	109.4	H15	K13-H15 PolarHBondContact O-N 2.98Å; K13-H15 VanDerWaalsContact O-N 3.08Å
14	C	44	Very low	52.8	Low	139 Å²	139	134.6 Å²	134.6	94%	0.939	72%	0.719	S	S	*	*			trans	-65.1	111.2	177.8	-78.6	0	0	0	0	111.5
15	H	48.1	Very low	53.8	Low	177 Å²	177	133.6 Å²	133.6	82%	0.819	71%	0.709	S	S	*	*			trans	-57.9	170.4	142.8	-69.3	-106.6	0	0	0	110.6	K13	K13-H15 PolarHBondContact O-N 2.98Å; K13-H15 VanDerWaalsContact O-N 3.08Å
16	A	53.7	Low	54.8	Low	78 Å²	78	134.1 Å²	134.1	65%	0.645	71%	0.71	S	S	*	*	S	Bend	trans	105.3	-25.2	161.4	0	0	0	0	0	120.2	P19	A16-P19 WeakPolarHBondContact O-CD 3.34Å
17	L	52.2	Low	55.5	Low	137 Å²	137	128.8 Å²	128.8	72%	0.717	70%	0.697	S	S	*	*	H	α-helix	trans	-77.5	-21.9	176.5	-108	81.8	0	0	0	114.6	I21	L17-I21 HydrophobicContact CD2-CD1 4.43Å
18	R	53.6	Low	56.5	Low	218 Å²	218	127.3 Å²	127.3	82%	0.823	69%	0.688	S	S	*	*	H	α-helix	trans	-66.6	-39.6	-173	-120	178	-178.2	-175.4	-0.6	115.5	L22	R18-L22 PolarHBondContact O-N 2.8Å
19	P	56.7	Low	57.6	Low	91 Å²	91	125.3 Å²	125.3	59%	0.591	68%	0.678	S	S	*	*	H	α-helix	trans	-69.1	-40.6	179.9	-19.3	32.6	0	0	0	113.2	A16 I21 L22 F23	A16-P19 WeakPolarHBondContact O-CD 3.34Å; P19-I21 PolarHBondContact O-N 3.21Å; P19-L22 PolarHBondContact O-N 3.02Å; P19-F23 PolarHBondContact O-N 3.49Å
20	M	60.5	Low	58.2	Low	143 Å²	143	125.7 Å²	125.7	70%	0.704	67%	0.67	S	S	*	*	H	α-helix	trans	-62.1	-44.2	-178.4	-99.4	-85.4	179.6	0	0	112.5	F23 L24	M20-F23 PolarHBondContact O-N 2.88Å; M20-L24 PolarHBondContact O-N 2.98Å; M20-L24 VanDerWaalsContact O-N 3.12Å
21	I	67.6	Low	59	Low	93 Å²	93	128 Å²	128	48%	0.477	66%	0.663	S	S	.	*	H	α-helix	trans	-67.7	-39.7	179.3	-66	172.3	0	0	0	111.1	L17 P19 F23 L24 I25	L17-I21 HydrophobicContact CD2-CD1 4.43Å; P19-I21 PolarHBondContact O-N 3.21Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 2.64Å; I21-L24 PolarHBondContact O-N 3.27Å; I21-I25 HydrophobicContact CG2-CD1 3.72Å; I21-I25 HydrophobicContact CG2-CG1 4.45Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.4Å
22	L	66.9	Low	59.2	Low	110 Å²	110	125.2 Å²	125.2	58%	0.576	65%	0.651	S	S	*	*	H	α-helix	trans	-63.4	-38.3	175	-90.8	157.5	0	0	0	112.5	R18 P19 M26	R18-L22 PolarHBondContact O-N 2.8Å; P19-L22 PolarHBondContact O-N 3.02Å; L22-M26 WeakPolarHBondContact O-CG 3.33Å; L22-M26 PolarHBondContact O-N 2.86Å; L22-M26 VanDerWaalsContact O-N 3.09Å
23	F	67.8	Low	59.4	Low	158 Å²	158	123 Å²	123	69%	0.693	65%	0.648	S	S	*	*	H	α-helix	trans	-69.3	-39.8	178.6	-143.9	-90.7	0	0	0	112.5	P19 M20 I21 L27	P19-F23 PolarHBondContact O-N 3.49Å; M20-F23 PolarHBondContact O-N 2.88Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 2.64Å; F23-L27 PolarHBondContact O-N 3.11Å; F23-L27 VanDerWaalsContact O-N 3.11Å
24	L	70.8	Confident	59.5	Low	113 Å²	113	125.2 Å²	125.2	59%	0.592	65%	0.652	S	S	*	*	H	α-helix	trans	-66	-41.1	174.7	-116.6	81.4	0	0	0	112.4	M20 I21 L27 V28	M20-L24 PolarHBondContact O-N 2.98Å; M20-L24 VanDerWaalsContact O-N 3.12Å; I21-L24 PolarHBondContact O-N 3.27Å; L24-L27 PolarHBondContact O-N 3.47Å; L24-V28 WeakPolarHBondContact O-CG2 3.41Å; L24-V28 PolarHBondContact O-N 3.08Å
25	I	70.8	Confident	59.5	Low	87 Å²	87	121.3 Å²	121.3	45%	0.446	64%	0.635	S	S	.	*	H	α-helix	trans	-63.4	-42.5	178.3	-70.1	168.3	0	0	0	110.8	I21 L27 V28 L29	I21-I25 HydrophobicContact CG2-CD1 3.72Å; I21-I25 HydrophobicContact CG2-CG1 4.45Å; I21-I25 VanDerWaalsContact O-CG1 3.27Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.4Å; I25-L27 PolarHBondContact O-N 2.92Å; I25-V28 PolarHBondContact O-N 3.48Å; I25-L29 HydrophobicContact CG2-CD1 3.83Å; I25-L29 HydrophobicContact CG2-CG 4.4Å; I25-L29 WeakPolarHBondContact O-CB 3.25Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.39Å; I25-L29 PolarHBondContact O-N 3.31Å
26	M	69.7	Low	59.2	Low	118 Å²	118	118 Å²	118	58%	0.581	63%	0.628	S	S	*	*	H	α-helix	trans	-63.1	-40.4	175.4	-73.6	-64.9	-69.3	0	0	112.4	L22 L29 V30	L22-M26 WeakPolarHBondContact O-CG 3.33Å; L22-M26 PolarHBondContact O-N 2.86Å; L22-M26 VanDerWaalsContact O-N 3.09Å; M26-L29 PolarHBondContact O-N 3.02Å; M26-V30 WeakPolarHBondContact O-CG2 3.24Å; M26-V30 PolarHBondContact O-N 3.22Å
27	L	66	Low	58.4	Low	104 Å²	104	122.6 Å²	122.6	55%	0.545	64%	0.64	S	S	.	*	H	α-helix	trans	-66.8	-39.8	179.1	-162.7	71.9	0	0	0	112.1	F23 L24 I25 L31	F23-L27 PolarHBondContact O-N 3.11Å; F23-L27 VanDerWaalsContact O-N 3.11Å; L24-L27 PolarHBondContact O-N 3.47Å; I25-L27 PolarHBondContact O-N 2.92Å; L27-L31 HydrophobicContact CG-CD1 4.32Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.07Å; L27-L31 VanDerWaalsContact O-N 3.16Å
28	V	68.9	Low	57.7	Low	83 Å²	83	120.8 Å²	120.8	50%	0.503	64%	0.639	S	S	.	*	H	α-helix	trans	-67.9	-39.7	175.4	173.9	0	0	0	0	111.6	L24 I25 L31 F32	L24-V28 WeakPolarHBondContact O-CG2 3.41Å; L24-V28 PolarHBondContact O-N 3.08Å; I25-V28 PolarHBondContact O-N 3.48Å; V28-L31 PolarHBondContact O-N 2.68Å; V28-F32 HydrophobicContact CG1-CD2 4.44Å; V28-F32 PolarHBondContact O-N 3.06Å
29	L	66.2	Low	56.9	Low	110 Å²	110	115.6 Å²	115.6	58%	0.576	63%	0.634	S	S	*	*	H	α-helix	trans	-68.3	-35.5	177.9	-72.6	172.3	0	0	0	113.1	I25 M26 G33	I25-L29 HydrophobicContact CG2-CD1 3.83Å; I25-L29 HydrophobicContact CG2-CG 4.4Å; I25-L29 WeakPolarHBondContact O-CB 3.25Å; I25-L29 VanDerWaalsContact O-CG 3.31Å; I25-L29 WeakPolarHBondContact O-CG 3.39Å; I25-L29 PolarHBondContact O-N 3.31Å; M26-L29 PolarHBondContact O-N 3.02Å; L29-G33 WeakPolarHBondContact O-CA 3.44Å; L29-G33 PolarHBondContact O-N 3.27Å
30	V	60.2	Low	56	Low	102 Å²	102	123 Å²	123	62%	0.618	65%	0.65	S	S	*	*	H	α-helix	trans	-69.4	-35.5	174.2	171.8	0	0	0	0	111.6	M26	M26-V30 WeakPolarHBondContact O-CG2 3.24Å; M26-V30 PolarHBondContact O-N 3.22Å
31	L	57.2	Low	55	Low	128 Å²	128	121.5 Å²	121.5	67%	0.67	65%	0.654	S	S	*	*	H	α-helix	trans	-79.1	-30.6	179.2	-70.1	170.6	0	0	0	113.9	L27 V28	L27-L31 HydrophobicContact CG-CD1 4.32Å; L27-L31 WeakPolarHBondContact O-CG 3.47Å; L27-L31 PolarHBondContact O-N 3.07Å; L27-L31 VanDerWaalsContact O-N 3.16Å; V28-L31 PolarHBondContact O-N 2.68Å
32	F	54.6	Low	53.5	Low	142 Å²	142	124.3 Å²	124.3	62%	0.623	67%	0.669	S	S	*	*	H	α-helix	trans	-91.5	-21.7	175.2	-95.1	-97.8	0	0	0	114.3	V28 Y34 G35	V28-F32 HydrophobicContact CG1-CD2 4.44Å; V28-F32 PolarHBondContact O-N 3.06Å; F32-Y34 VanDerWaalsContact C-N 3.25Å; F32-Y34 PolarHBondContact O-N 3.28Å; F32-G35 PolarHBondContact O-N 3.08Å
33	G	50.9	Low	52.1	Low	61 Å²	61	127.2 Å²	127.2	63%	0.629	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-20.3	-175.8	0	0	0	0	0	115.7	L29	L29-G33 WeakPolarHBondContact O-CA 3.44Å; L29-G33 PolarHBondContact O-N 3.27Å
34	Y	43.5	Very low	50.5	Low	237 Å²	237	125.4 Å²	125.4	93%	0.929	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	4.9	171.7	-91.8	-86	0	0	0	113.7	F32	F32-Y34 VanDerWaalsContact C-N 3.25Å; F32-Y34 PolarHBondContact O-N 3.28Å
35	G	42.6	Very low	49	Very low	57 Å²	57	123.3 Å²	123.3	59%	0.588	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-33	-175	0	0	0	0	0	115.7	F32	F32-G35 PolarHBondContact O-N 3.08Å
36	V	43.6	Very low	47.2	Very low	108 Å²	108	124.5 Å²	124.5	66%	0.655	71%	0.708	S	S	*	*			trans	-143	89.4	-168.9	-169.9	0	0	0	0	113.1
37	L	36.9	Very low	45.5	Very low	174 Å²	174	126.9 Å²	126.9	91%	0.911	72%	0.722	S	S	*	*			trans	-144.1	72.5	155.4	-107	165.6	0	0	0	110.6
38	S	37.6	Very low	43.9	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	74%	0.739	S	S	*	*			trans	-75.6	172.7	148.1	-62.2	0	0	0	0	109
39	P	36.6	Very low	42.1	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	76%	0.755	S	S	*	*			cis	-140.2	176.1	8.7	41.5	-22.8	0	0	0	116.8
40	R	36.5	Very low	40.4	Very low	246 Å²	246	135.9 Å²	135.9	93%	0.928	76%	0.761	S	S	*	*			trans	43.7	108.6	146.2	-71.8	175.3	172.2	172.7	-2.9	120.8
41	S	39.9	Very low	39	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	78%	0.776	S	S	*	*			trans	-162.1	101.9	133.8	55.8	0	0	0	0	109.6
42	L	35.5	Very low	37.8	Very low	152 Å²	152	140.9 Å²	140.9	80%	0.796	78%	0.784	S	S	*	*				51.5	98.2	101.4	-121.7	87.2	0	0	0	115.5
43	M	38.1	Very low	36.6	Very low	170 Å²	170	142.4 Å²	142.4	84%	0.837	80%	0.795	S	S	*	*				-165.6	112	129.1	-94.1	-49	130.7	0	0	109.8
44	P	35.4	Very low	35.7	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	80%	0.799	S	S	*	*			trans	-94.7	137.3	166.6	34.6	-28.2	0	0	0	110.6
45	G	38.1	Very low	35.2	Very low	70 Å²	70	137.7 Å²	137.7	72%	0.722	79%	0.788	S	S	*	*			trans	-175.9	81.8	-177.1	0	0	0	0	0	115.7
46	S	34.4	Very low	34.6	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	80%	0.799	S	S	*	*			trans	37.8	100	147.1	61.4	0	0	0	0	119.6
47	L	33.6	Very low	33.9	Very low	167 Å²	167	146.9 Å²	146.9	87%	0.874	80%	0.799	S	S	*	*				-143.9	54.9	129.5	-148.1	82.8	0	0	0	112.6	R49	L47-R49 VanDerWaalsContact C-N 3.26Å; L47-R49 PolarHBondContact O-N 3.05Å
48	E	30.8	Very low	34.2	Very low	193 Å²	193	143.7 Å²	143.7	90%	0.902	79%	0.788	S	S	*	*			trans	-66.4	91.5	152.8	-74.9	-171.5	147.3	0	0	108.8
49	R	33	Very low	34.2	Very low	225 Å²	225	145 Å²	145	85%	0.849	79%	0.787	S	S	*	*			trans	-154.9	84.3	161.9	-145.4	164.9	-75.5	-170.2	-3.1	113.3	L47	L47-R49 VanDerWaalsContact C-N 3.26Å; L47-R49 PolarHBondContact O-N 3.05Å
50	G	29.8	Very low	34.3	Very low	68 Å²	68	147.9 Å²	147.9	70%	0.701	79%	0.791	S	S	*	*			trans	63.5	84.9	145.6	0	0	0	0	0	117.9
51	F	30.6	Very low	34.9	Very low	212 Å²	212	142.1 Å²	142.1	93%	0.93	78%	0.778	S	S	*	*			trans	-130.2	111	134.2	-107.6	-87.7	0	0	0	108.4	M53	F51-M53 PolarHBondContact O-N 2.9Å
52	C	31	Very low	35.4	Very low	124 Å²	124	145 Å²	145	84%	0.838	78%	0.779	S	S	*	*			trans	-58.4	124.5	170.3	-72.7	0	0	0	0	108.3	A54	C52-A54 PolarHBondContact O-N 2.78Å
53	M	31.5	Very low	36.6	Very low	173 Å²	173	149.5 Å²	149.5	85%	0.852	79%	0.785	S	S	*	*			trans	-66.8	86	161	-71.4	-152.3	-59.9	0	0	108.3	F51 V55	F51-M53 PolarHBondContact O-N 2.9Å; M53-V55 HydrophobicContact CB-CG2 4.39Å; M53-V55 PolarHBondContact O-N 3.4Å
54	A	30.7	Very low	38.6	Very low	87 Å²	87	145.1 Å²	145.1	72%	0.719	77%	0.768	S	S	*	*			trans	-67.6	76.8	149.9	0	0	0	0	0	107.2	C52 R56	C52-A54 PolarHBondContact O-N 2.78Å; A54-R56 PolarHBondContact O-N 2.99Å
55	V	32.7	Very low	41.2	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.685	77%	0.765	S	S	*	*			trans	-60.7	90.8	148.1	177.7	0	0	0	0	104.1	M53 E57	M53-V55 HydrophobicContact CB-CG2 4.39Å; M53-V55 PolarHBondContact O-N 3.4Å; V55-E57 PolarHBondContact O-N 2.89Å
56	R	30.4	Very low	43.9	Very low	219 Å²	219	144 Å²	144	83%	0.826	75%	0.747	S	S	*	*			trans	-62.6	108.6	164.1	-98.6	-176	173.4	171.3	-1.4	105.4	A54	A54-R56 PolarHBondContact O-N 2.99Å
57	E	28.6	Very low	46.8	Very low	139 Å²	139	141.9 Å²	141.9	65%	0.65	73%	0.73	S	S	*	*			trans	-48.8	145.1	162	-67.4	171.3	138.4	0	0	108.6	V55 D59	V55-E57 PolarHBondContact O-N 2.89Å; E57-D59 HydrophobicContact CB-CB 4.39Å; E57-D59 PolarHBondContact O-N 2.57Å
58	P	43.1	Very low	49.8	Very low	106 Å²	106	145 Å²	145	69%	0.688	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-61.3	-8.4	175.6	-22.6	34.6	0	0	0	114.1	H60 L61	P58-H60 PolarHBondContact O-N 3.13Å; P58-L61 PolarHBondContact O-N 3.5Å
59	D	37.9	Very low	53	Low	127 Å²	127	138.4 Å²	138.4	68%	0.679	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-78.6	16.8	-165.4	-63.5	-29.9	0	0	0	115.3	E57	E57-D59 HydrophobicContact CB-CB 4.39Å; E57-D59 PolarHBondContact O-N 2.57Å
60	H	38.1	Very low	56.1	Low	171 Å²	171	133.9 Å²	133.9	79%	0.792	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-115.4	9.3	168.2	-71.4	-11.9	0	0	0	114.2	P58 Q62	P58-H60 PolarHBondContact O-N 3.13Å; H60-Q62 PolarHBondContact O-N 2.75Å
61	L	49.3	Very low	59.3	Low	124 Å²	124	135.8 Å²	135.8	65%	0.649	68%	0.684	S	S	*	*	S	Bend	trans	-67.3	90.2	156.2	-98.6	156.3	0	0	0	108.7	P58 R63	P58-L61 PolarHBondContact O-N 3.5Å; L61-R63 PolarHBondContact O-N 2.94Å
62	Q	51.5	Low	62.5	Low	172 Å²	172	131.3 Å²	131.3	80%	0.804	68%	0.676	S	S	*	*			trans	-46	118.3	170.2	-165.2	173.4	20.3	0	0	107.5	H60 V64	H60-Q62 PolarHBondContact O-N 2.75Å; Q62-V64 WeakPolarHBondContact O-CG2 3.13Å; Q62-V64 PolarHBondContact O-N 2.78Å
63	R	60.7	Low	65.6	Low	248 Å²	248	133.4 Å²	133.4	94%	0.936	67%	0.674	S	S	*	*			trans	-77.6	69	-165.7	-158.4	-175.6	-153.8	179.7	9.1	110.7	L61 S65	L61-R63 PolarHBondContact O-N 2.94Å; R63-S65 PolarHBondContact O-N 3.01Å; R63-S65 VanDerWaalsContact O-N 3.16Å
64	V	80	Confident	68.8	Low	78 Å²	78	129.9 Å²	129.9	47%	0.473	66%	0.664	S	S	.	*			trans	-65.9	114.7	-179.7	-164.9	0	0	0	0	108	Q62 L111	Q62-V64 WeakPolarHBondContact O-CG2 3.13Å; Q62-V64 PolarHBondContact O-N 2.78Å; V64-L111 HydrophobicContact CB-CB 4.36Å; V64-L111 HydrophobicContact CG1-CB 4.07Å; V64-L111 HydrophobicContact CG1-CD1 4Å; V64-L111 HydrophobicContact CG1-CD2 3.83Å; V64-L111 HydrophobicContact CG1-CG 4.17Å
65	S	90.3	Very high	72	Confident	103 Å²	103	133.2 Å²	133.2	72%	0.72	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-66.7	135.8	174.5	-175.2	0	0	0	0	109.3	R63	R63-S65 PolarHBondContact O-N 3.01Å; R63-S65 VanDerWaalsContact O-N 3.16Å
66	L	94.7	Very high	75	Confident	63 Å²	63	134.5 Å²	134.5	33%	0.33	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-58.9	146.3	164.2	-70.6	168	0	0	0	109.6	E107 Q108 L111	L66-E107 HydrophobicContact CD2-CB 3.63Å; L66-Q108 HydrophobicContact CD1-CG 4.16Å; L66-Q108 HydrophobicContact CD2-CG 3.85Å; L66-Q108 HydrophobicContact CG-CG 4.48Å; L66-L111 HydrophobicContact CD2-CD1 3.85Å
67	P	95.3	Very high	78.2	Confident	68 Å²	68	132.2 Å²	132.2	44%	0.442	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-66.4	168.9	173.4	29.4	-35.3	0	0	0	111	M69 E107	P67-M69 HydrophobicContact CG-CG 4.34Å; P67-M69 PolarHBondContact O-N 3.46Å; P67-M69 VanDerWaalsContact O-N 3.11Å; P67-E107 HydrophobicContact CG-CG 4.28Å
68	R	96.5	Very high	81.5	Confident	232 Å²	232	129.4 Å²	129.4	88%	0.875	67%	0.666	S	S	*	*			trans	-63	115.5	167.7	176.4	-173.6	167.4	99.3	0.3	108.9
69	M	97.5	Very high	84.1	Confident	54 Å²	54	128 Å²	128	27%	0.266	66%	0.656	S	S	.	*			trans	-113.5	153	173.4	-56.9	177.8	81	0	0	110.3	P67 Y71 D103 I104 E107	P67-M69 HydrophobicContact CG-CG 4.34Å; P67-M69 PolarHBondContact O-N 3.46Å; P67-M69 VanDerWaalsContact O-N 3.11Å; M69-Y71 HydrophobicContact CB-CD1 3.71Å; M69-Y71 HydrophobicContact CB-CE1 3.75Å; M69-Y71 HydrophobicContact SD-CE1 4.42Å; M69-D103 HydrophobicContact CE-CB 3.78Å; M69-I104 HydrophobicContact CE-CG1 4.15Å; M69-I104 HydrophobicContact SD-CG1 4.23Å; M69-E107 HydrophobicContact CE-CG 3.92Å; M69-E107 HydrophobicContact SD-CB 4.46Å; M69-E107 HydrophobicContact SD-CG 4.09Å
70	V	97.6	Very high	87	Confident	130 Å²	130	125 Å²	125	79%	0.788	65%	0.645	S	S	*	*			trans	-123.8	113.6	173	-178.1	0	0	0	0	107.6
71	Y	97.2	Very high	89.9	Confident	108 Å²	108	117.3 Å²	117.3	42%	0.424	61%	0.609	S	S	.	*			trans	-144.8	162.2	-177.7	50.2	-107.4	0	0	0	110.5	M69 Q73 I104	M69-Y71 HydrophobicContact CB-CD1 3.71Å; M69-Y71 HydrophobicContact CB-CE1 3.75Å; M69-Y71 HydrophobicContact SD-CE1 4.42Å; Y71-Q73 PolarHBondContact O-N 2.92Å; Y71-I104 HydrophobicContact CD1-CD1 3.83Å; Y71-I104 HydrophobicContact CD1-CG1 3.96Å; Y71-I104 HydrophobicContact CD2-CD1 4.15Å; Y71-I104 HydrophobicContact CE1-CD1 3.55Å; Y71-I104 HydrophobicContact CE1-CG1 3.84Å; Y71-I104 HydrophobicContact CE2-CD1 3.91Å; Y71-I104 HydrophobicContact CG-CD1 4.13Å
72	P	97.3	Very high	92.2	Very high	118 Å²	118	120 Å²	120	77%	0.766	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.9	177	-25.4	35.4	0	0	0	112.3
73	Q	97.7	Very high	94.4	Very high	169 Å²	169	115.6 Å²	115.6	79%	0.79	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-60.1	131	179.1	-173.2	-178.2	10.6	0	0	111	Y71 K75	Y71-Q73 PolarHBondContact O-N 2.92Å; Q73-K75 PolarHBondContact O-N 3.35Å
74	P	97.6	Very high	96.2	Very high	98 Å²	98	105.2 Å²	105.2	64%	0.636	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-57.4	122.1	172.6	-26	35.2	0	0	0	111.7	V76	P74-V76 PolarHBondContact O-N 2.89Å
75	K	97.4	Very high	97.1	Very high	158 Å²	158	106 Å²	106	69%	0.687	56%	0.562	S	S	*	*			trans	-87.4	90.9	-177.9	-66	-176.6	-179.3	-178.4	0	110.3	Q73 L77 T78	Q73-K75 PolarHBondContact O-N 3.35Å; K75-L77 PolarHBondContact O-N 3.22Å; K75-L77 VanDerWaalsContact O-N 3.11Å; K75-T78 PolarHBondContact O-N 3.28Å; K75-T78 VanDerWaalsContact O-O 3.04Å
76	V	97	Very high	97.5	Very high	139 Å²	139	103.1 Å²	103.1	84%	0.842	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-39.7	-176.1	179.5	0	0	0	0	113.5	P74 T78	P74-V76 PolarHBondContact O-N 2.89Å; V76-T78 VanDerWaalsContact C-N 3.34Å; V76-T78 PolarHBondContact O-N 2.98Å
77	L	97.5	Very high	97.7	Very high	171 Å²	171	103 Å²	103	90%	0.895	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	16.4	179.4	-56.1	-179.5	0	0	0	113.8	K75	K75-L77 PolarHBondContact O-N 3.22Å; K75-L77 VanDerWaalsContact O-N 3.11Å
78	T	97.9	Very high	97.9	Very high	81 Å²	81	100 Å²	100	50%	0.497	52%	0.522	S	S	.	.	S	Bend	trans	-133.3	109.3	177.4	-56.9	0	0	0	0	109.9	K75 V76	K75-T78 PolarHBondContact O-N 3.28Å; K75-T78 VanDerWaalsContact O-O 3.04Å; V76-T78 VanDerWaalsContact C-N 3.34Å; V76-T78 PolarHBondContact O-N 2.98Å
79	P	97.7	Very high	98	Very high	75 Å²	75	94.4 Å²	94.4	49%	0.487	52%	0.516	S	S	.	.			trans	-65.7	139.1	179	29.6	-37	0	0	0	110.8	R81 K82	P79-R81 VanDerWaalsContact C-N 3.3Å; P79-R81 PolarHBondContact O-N 2.98Å; P79-K82 HydrophobicContact CB-CG 4.49Å; P79-K82 HydrophobicContact CG-CD 4.25Å; P79-K82 HydrophobicContact CG-CG 3.61Å
80	C	98.1	Very high	98	Very high	65 Å²	65	94.8 Å²	94.8	44%	0.439	52%	0.515	S	S	.	.	S	Bend	trans	-65.9	-31.3	-178.7	54.1	0	0	0	0	113.4	G98	C80-G98 WeakPolarHBondContact CB-O 3.33Å
81	R	98.4	Very high	98.1	Very high	9 Å²	9	95.7 Å²	95.7	3%	0.034	51%	0.514	C	S	.	.			trans	-134.3	143.3	169.9	-62.7	-66.2	-70.2	-97.1	-6.3	108.7	P79 D83 V84 V86 E97 T99 E322 V335 R337	P79-R81 VanDerWaalsContact C-N 3.3Å; P79-R81 PolarHBondContact O-N 2.98Å; R81-D83 WeakPolarHBondContact CB-OD1 3.31Å; R81-D83 IonicContact CZ-OD1 3.87Å; R81-D83 IonicContact CZ-OD2 3.43Å; R81-D83 IonicContact NE-OD1 2.98Å; R81-D83 PolarHBondContact NE-OD1 3.48Å; R81-D83 IonicContact NE-OD2 3.3Å; R81-D83 PolarHBondContact NE-OD2 3.28Å; R81-D83 IonicContact NH2-OD1 3.83Å; R81-D83 IonicContact NH2-OD2 2.7Å; R81-D83 PolarHBondContact NH2-OD2 3.38Å; R81-V84 HydrophobicContact CB-CG2 3.58Å; R81-V84 HydrophobicContact CG-CG2 3.85Å; R81-V86 HydrophobicContact CB-CG1 3.77Å; R81-V86 HydrophobicContact CG-CG1 4.05Å; R81-E97 WeakPolarHBondContact CD-O 3.32Å; R81-E97 PolarHBondContact NH1-O 3.35Å; R81-T99 HydrophobicContact CG-CG2 4.06Å; R81-E322 IonicContact NH1-OE1 2.83Å; R81-E322 PolarHBondContact NH1-OE1 3.41Å; R81-V335 PolarHBondContact NH2-O 3.1Å; R81-R337 VanDerWaalsContact CD-CZ 3.42Å
82	K	98.3	Very high	98.2	Very high	180 Å²	180	90.7 Å²	90.7	78%	0.783	50%	0.495	S	S	*	.	S	Bend	trans	-114.6	-5.6	177.4	-71.2	-174	177.5	-175.2	0	112.8	P79	P79-K82 HydrophobicContact CB-CG 4.49Å; P79-K82 HydrophobicContact CG-CD 4.25Å; P79-K82 HydrophobicContact CG-CG 3.61Å
83	D	98.4	Very high	98.2	Very high	80 Å²	80	88 Å²	88	43%	0.428	48%	0.478	S	S	.	.	S	Bend	trans	-113.5	-8.5	-164.3	54.4	-51.8	0	0	0	112.7	R81	R81-D83 WeakPolarHBondContact CB-OD1 3.31Å; R81-D83 IonicContact CZ-OD1 3.87Å; R81-D83 IonicContact CZ-OD2 3.43Å; R81-D83 IonicContact NE-OD1 2.98Å; R81-D83 PolarHBondContact NE-OD1 3.48Å; R81-D83 IonicContact NE-OD2 3.3Å; R81-D83 PolarHBondContact NE-OD2 3.28Å; R81-D83 IonicContact NH2-OD1 3.83Å; R81-D83 IonicContact NH2-OD2 2.7Å; R81-D83 PolarHBondContact NH2-OD2 3.38Å
84	V	98.6	Very high	98.3	Very high	30 Å²	30	80 Å²	80	18%	0.182	44%	0.44	C	S	.	.	S	Bend	trans	-144.9	156.5	-177.8	-67.7	0	0	0	0	111.6	R81 V86 W96 V335	R81-V84 HydrophobicContact CB-CG2 3.58Å; R81-V84 HydrophobicContact CG-CG2 3.85Å; V84-V86 HydrophobicContact CG2-CG1 4.12Å; V84-W96 HydrophobicContact CB-CD2 4.15Å; V84-W96 HydrophobicContact CB-CH2 4.44Å; V84-W96 HydrophobicContact CB-CZ2 3.9Å; V84-W96 HydrophobicContact CG1-CD2 4.09Å; V84-W96 HydrophobicContact CG1-CE3 4.11Å; V84-W96 HydrophobicContact CG1-CH2 3.74Å; V84-W96 HydrophobicContact CG1-CZ2 3.7Å; V84-W96 HydrophobicContact CG1-CZ3 3.93Å; V84-W96 HydrophobicContact CG2-CD2 3.86Å; V84-W96 HydrophobicContact CG2-CE3 4.48Å; V84-W96 HydrophobicContact CG2-CG 3.89Å; V84-V335 HydrophobicContact CG1-CG2 3.2Å
85	L	98.7	Very high	98.4	Very high	95 Å²	95	75.6 Å²	75.6	50%	0.497	41%	0.412	S	S	.	.			trans	-72.5	127.4	165.2	-174.1	66.4	0	0	0	109.6	V87 I94 W96 F263	L85-V87 VanDerWaalsContact CD1-O 3.24Å; L85-V87 WeakPolarHBondContact CD1-O 3.38Å; L85-V87 VanDerWaalsContact CG-O 3.24Å; L85-V87 WeakPolarHBondContact CG-O 3.41Å; L85-I94 HydrophobicContact CB-CD1 4.14Å; L85-I94 HydrophobicContact CD2-CD1 3.77Å; L85-I94 HydrophobicContact CG-CD1 3.8Å; L85-W96 PolarHBondContact O-NE1 2.96Å; L85-F263 HydrophobicContact CD2-CZ 4.22Å
86	V	98.7	Very high	98.4	Very high	42 Å²	42	68.5 Å²	68.5	26%	0.255	38%	0.381	S	S	.	.			trans	-109.7	-3.8	-177.7	-60.9	0	0	0	0	114	R81 V84 I94 T99	R81-V86 HydrophobicContact CB-CG1 3.77Å; R81-V86 HydrophobicContact CG-CG1 4.05Å; V84-V86 HydrophobicContact CG2-CG1 4.12Å; V86-I94 PolarHBondContact O-N 3.2Å; V86-T99 HydrophobicContact CB-CG2 4.09Å; V86-T99 HydrophobicContact CG1-CG2 3.65Å
87	V	98.8	Very high	98.5	Very high	62 Å²	62	64.4 Å²	64.4	38%	0.376	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-149.7	138	177.6	63	0	0	0	0	109.5	L85 A92	L85-V87 VanDerWaalsContact CD1-O 3.24Å; L85-V87 WeakPolarHBondContact CD1-O 3.38Å; L85-V87 VanDerWaalsContact CG-O 3.24Å; L85-V87 WeakPolarHBondContact CG-O 3.41Å; V87-A92 CarbonylContact C-O 3.52Å; V87-A92 WeakPolarHBondContact CA-O 3.42Å
88	T	98.8	Very high	98.6	Very high	4 Å²	4	58 Å²	58	3%	0.025	33%	0.327	C	S	.	.			trans	-76.9	164.5	178.7	69.4	0	0	0	0	111.6	W90 L91 A92 I94 F263 V318	T88-W90 HydrophobicContact CG2-CD2 4.41Å; T88-W90 HydrophobicContact CG2-CH2 4.03Å; T88-W90 HydrophobicContact CG2-CZ2 3.65Å; T88-W90 PolarHBondContact O-N 3.47Å; T88-W90 VanDerWaalsContact O-N 3.1Å; T88-W90 VanDerWaalsContact OG1-CG 3.31Å; T88-W90 PolarHBondContact OG1-N 3.07Å; T88-W90 PolarHBondContact OG1-NE1 3.38Å; T88-L91 PolarHBondContact O-N 3.49Å; T88-A92 HydrophobicContact CG2-CB 4.11Å; T88-A92 WeakPolarHBondContact CG2-O 3.34Å; T88-A92 PolarHBondContact N-O 2.97Å; T88-A92 WeakPolarHBondContact OG1-CB 3.46Å; T88-A92 PolarHBondContact OG1-N 3.4Å; T88-A92 PolarHBondContact OG1-O 2.96Å; T88-I94 HydrophobicContact CG2-CD1 4.03Å; T88-I94 HydrophobicContact CG2-CG1 3.84Å; T88-F263 HydrophobicContact CG2-CE2 3.88Å; T88-F263 HydrophobicContact CG2-CZ 4.32Å; T88-V318 HydrophobicContact CG2-CG2 3.83Å
89	P	98.7	Very high	98.6	Very high	115 Å²	115	56.3 Å²	56.3	75%	0.747	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.8	172.8	-26.1	36.3	0	0	0	114.9
90	W	98.8	Very high	98.6	Very high	62 Å²	62	55 Å²	55	24%	0.235	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	21.5	174.1	62.9	87.1	0	0	0	113.2	T88 A92 D262 F263 K314 P315 V318	T88-W90 HydrophobicContact CG2-CD2 4.41Å; T88-W90 HydrophobicContact CG2-CH2 4.03Å; T88-W90 HydrophobicContact CG2-CZ2 3.65Å; T88-W90 PolarHBondContact O-N 3.47Å; T88-W90 VanDerWaalsContact O-N 3.1Å; T88-W90 VanDerWaalsContact OG1-CG 3.31Å; T88-W90 PolarHBondContact OG1-N 3.07Å; T88-W90 PolarHBondContact OG1-NE1 3.38Å; W90-A92 VanDerWaalsContact C-N 3.3Å; W90-A92 VanDerWaalsContact NE1-CB 3.3Å; W90-A92 PolarHBondContact O-N 3.16Å; W90-D262 HydrophobicContact CH2-CB 3.71Å; W90-D262 HydrophobicContact CZ3-CB 3.68Å; W90-D262 VanDerWaalsContact CZ3-CG 3.49Å; W90-D262 WeakPolarHBondContact CZ3-OD1 3.4Å; W90-F263 AromaticContact CH2-CD2 3.94Å; W90-F263 HydrophobicContact CH2-CD2 3.94Å; W90-F263 AromaticContact CH2-CE2 3.69Å; W90-F263 HydrophobicContact CH2-CE2 3.69Å; W90-F263 HydrophobicContact CZ2-CE2 4.41Å; W90-F263 HydrophobicContact CZ3-CE2 4.31Å; W90-K314 HydrophobicContact CD2-CB 3.99Å; W90-K314 HydrophobicContact CD2-CD 4.17Å; W90-K314 HydrophobicContact CD2-CG 4.04Å; W90-K314 HydrophobicContact CE3-CD 4.15Å; W90-K314 HydrophobicContact CE3-CG 4.42Å; W90-K314 HydrophobicContact CG-CB 3.96Å; W90-K314 HydrophobicContact CG-CG 4.16Å; W90-K314 HydrophobicContact CH2-CD 4.34Å; W90-K314 HydrophobicContact CZ2-CB 4.4Å; W90-K314 HydrophobicContact CZ2-CD 4.38Å; W90-K314 HydrophobicContact CZ3-CD 4.25Å; W90-P315 HydrophobicContact CZ2-CG 4.16Å; W90-P315 PolarHBondContact NE1-O 3.41Å; W90-V318 HydrophobicContact CZ2-CG2 4.29Å
91	L	98.8	Very high	98.7	Very high	148 Å²	148	54.2 Å²	54.2	78%	0.775	30%	0.295	S	S	*	.	S	Bend	trans	66.2	19.1	173.8	-50.6	178.6	0	0	0	116.1	T88	T88-L91 PolarHBondContact O-N 3.49Å
92	A	98.8	Very high	98.7	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	30%	0.304	C	S	.	.			trans	-81.1	131.3	169.6	0	0	0	0	0	110.7	V87 T88 W90 P315 T316	V87-A92 CarbonylContact C-O 3.52Å; V87-A92 WeakPolarHBondContact CA-O 3.42Å; T88-A92 HydrophobicContact CG2-CB 4.11Å; T88-A92 WeakPolarHBondContact CG2-O 3.34Å; T88-A92 PolarHBondContact N-O 2.97Å; T88-A92 WeakPolarHBondContact OG1-CB 3.46Å; T88-A92 PolarHBondContact OG1-N 3.4Å; T88-A92 PolarHBondContact OG1-O 2.96Å; W90-A92 VanDerWaalsContact C-N 3.3Å; W90-A92 VanDerWaalsContact NE1-CB 3.3Å; W90-A92 PolarHBondContact O-N 3.16Å; A92-P315 WeakPolarHBondContact CB-O 3.36Å; A92-T316 WeakPolarHBondContact CB-O 3.41Å
93	P	98.8	Very high	98.7	Very high	61 Å²	61	51.7 Å²	51.7	40%	0.396	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-59.6	138.2	172.9	-24.6	34.3	0	0	0	112.1	T316 K317 V318	P93-T316 WeakPolarHBondContact CD-O 3.48Å; P93-K317 HydrophobicContact CB-CG 4.49Å; P93-K317 HydrophobicContact CG-CG 4.47Å; P93-K317 WeakPolarHBondContact O-CA 3.21Å; P93-V318 PolarHBondContact O-N 2.69Å
94	I	98.9	Very high	98.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.4	164.6	-46.4	-173	0	0	0	107.3	L85 V86 T88 W96 L232 F263 V318	L85-I94 HydrophobicContact CB-CD1 4.14Å; L85-I94 HydrophobicContact CD2-CD1 3.77Å; L85-I94 HydrophobicContact CG-CD1 3.8Å; V86-I94 PolarHBondContact O-N 3.2Å; T88-I94 HydrophobicContact CG2-CD1 4.03Å; T88-I94 HydrophobicContact CG2-CG1 3.84Å; I94-W96 VanDerWaalsContact CG2-NE1 3.32Å; I94-W96 VanDerWaalsContact O-CD1 3.31Å; I94-W96 PolarHBondContact O-N 3.01Å; I94-L232 HydrophobicContact CG2-CD1 4.29Å; I94-F263 HydrophobicContact CD1-CE1 4.4Å; I94-F263 HydrophobicContact CD1-CZ 3.86Å; I94-V318 CarbonylContact C-O 3.6Å; I94-V318 VanDerWaalsContact CA-O 3.24Å; I94-V318 WeakPolarHBondContact CA-O 3.38Å; I94-V318 HydrophobicContact CG1-CB 4.28Å; I94-V318 HydrophobicContact CG2-CB 4.33Å; I94-V318 HydrophobicContact CG2-CG1 4.24Å
95	V	98.9	Very high	98.7	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	107.7	-169	-171.7	0	0	0	0	110.1	F100 E223 K317 V318 L319 S320 Y323	V95-F100 HydrophobicContact CG1-CD1 4.02Å; V95-F100 HydrophobicContact CG1-CE1 3.94Å; V95-E223 HydrophobicContact CG1-CB 4.31Å; V95-E223 HydrophobicContact CG1-CG 3.76Å; V95-K317 HydrophobicContact CG2-CB 4.37Å; V95-K317 HydrophobicContact CG2-CD 4.12Å; V95-V318 PolarHBondContact N-O 3.46Å; V95-L319 HydrophobicContact CB-CD2 3.93Å; V95-L319 HydrophobicContact CG2-CD2 3.71Å; V95-S320 WeakPolarHBondContact O-CB 3.2Å; V95-S320 PolarHBondContact O-N 3.5Å; V95-S320 VanDerWaalsContact O-N 3.12Å; V95-S320 PolarHBondContact O-OG 3.47Å; V95-Y323 HydrophobicContact CB-CE2 4.2Å; V95-Y323 HydrophobicContact CG1-CE2 3.77Å
96	W	98.9	Very high	98.7	Very high	10 Å²	10	47 Å²	47	4%	0.038	27%	0.265	C	S	.	.			trans	-126.6	157.3	174.7	-60.3	89.7	0	0	0	109.6	V84 L85 I94 G98 T99 Y237 S320 P321 E322 V335 L336	V84-W96 HydrophobicContact CB-CD2 4.15Å; V84-W96 HydrophobicContact CB-CH2 4.44Å; V84-W96 HydrophobicContact CB-CZ2 3.9Å; V84-W96 HydrophobicContact CG1-CD2 4.09Å; V84-W96 HydrophobicContact CG1-CE3 4.11Å; V84-W96 HydrophobicContact CG1-CH2 3.74Å; V84-W96 HydrophobicContact CG1-CZ2 3.7Å; V84-W96 HydrophobicContact CG1-CZ3 3.93Å; V84-W96 HydrophobicContact CG2-CD2 3.86Å; V84-W96 HydrophobicContact CG2-CE3 4.48Å; V84-W96 HydrophobicContact CG2-CG 3.89Å; L85-W96 PolarHBondContact O-NE1 2.96Å; I94-W96 VanDerWaalsContact CG2-NE1 3.32Å; I94-W96 VanDerWaalsContact O-CD1 3.31Å; I94-W96 PolarHBondContact O-N 3.01Å; W96-G98 PolarHBondContact O-N 2.93Å; W96-T99 HydrophobicContact CB-CG2 3.93Å; W96-T99 PolarHBondContact N-OG1 3.29Å; W96-T99 WeakPolarHBondContact O-CG2 3.39Å; W96-T99 PolarHBondContact O-N 3.23Å; W96-T99 PolarHBondContact O-OG1 3.12Å; W96-Y237 HydrophobicContact CH2-CD2 4.49Å; W96-S320 VanDerWaalsContact CE2-CB 3.44Å; W96-P321 HydrophobicContact CH2-CG 4.44Å; W96-E322 HydrophobicContact CE3-CG 4.22Å; W96-V335 HydrophobicContact CZ3-CG2 4.26Å; W96-L336 HydrophobicContact CZ3-CD2 3.91Å
97	E	98.8	Very high	98.6	Very high	52 Å²	52	48 Å²	48	24%	0.243	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	129.4	174.4	-176.5	60.2	-170.4	0	0	111.3	R81 E322 R337 K338 R340	R81-E97 WeakPolarHBondContact CD-O 3.32Å; R81-E97 PolarHBondContact NH1-O 3.35Å; E97-E322 WeakPolarHBondContact CB-OE1 3.32Å; E97-E322 WeakPolarHBondContact CB-OE2 3.16Å; E97-E322 VanDerWaalsContact N-CD 3.32Å; E97-E322 PolarHBondContact N-OE1 2.92Å; E97-E322 VanDerWaalsContact N-OE1 3.08Å; E97-E322 PolarHBondContact N-OE2 2.91Å; E97-R337 HydrophobicContact CB-CB 3.84Å; E97-R337 HydrophobicContact CG-CB 3.92Å; E97-K338 HydrophobicContact CB-CD 4.47Å; E97-K338 HydrophobicContact CB-CG 4.45Å; E97-K338 VanDerWaalsContact CD-CE 3.48Å; E97-K338 HydrophobicContact CG-CD 4.03Å; E97-K338 HydrophobicContact CG-CG 4.15Å; E97-K338 WeakPolarHBondContact OE1-CE 3.26Å; E97-K338 WeakPolarHBondContact OE2-CD 3.32Å; E97-R340 IonicContact OE2-CZ 2.86Å; E97-R340 IonicContact OE2-NH1 2.65Å; E97-R340 IonicContact OE2-NH2 2.87Å; E97-R340 PolarHBondContact OE2-NH2 2.84Å
98	G	98.3	Very high	98.5	Very high	36 Å²	36	48.8 Å²	48.8	37%	0.371	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-2.1	-175.3	0	0	0	0	0	115.3	C80 W96	C80-G98 WeakPolarHBondContact CB-O 3.33Å; W96-G98 PolarHBondContact O-N 2.93Å
99	T	98.7	Very high	98.5	Very high	46 Å²	46	49.5 Å²	49.5	28%	0.282	27%	0.269	S	S	.	.	S	Bend	trans	-86.4	-11.4	174	68.7	0	0	0	0	114	R81 V86 W96	R81-T99 HydrophobicContact CG-CG2 4.06Å; V86-T99 HydrophobicContact CB-CG2 4.09Å; V86-T99 HydrophobicContact CG1-CG2 3.65Å; W96-T99 HydrophobicContact CB-CG2 3.93Å; W96-T99 PolarHBondContact N-OG1 3.29Å; W96-T99 WeakPolarHBondContact O-CG2 3.39Å; W96-T99 PolarHBondContact O-N 3.23Å; W96-T99 PolarHBondContact O-OG1 3.12Å
100	F	98.7	Very high	98.4	Very high	47 Å²	47	51.1 Å²	51.1	21%	0.206	26%	0.26	C	S	.	.			trans	-132.9	155.6	-177.1	59	-85.8	0	0	0	112.2	V95 I102 L105 E223	V95-F100 HydrophobicContact CG1-CD1 4.02Å; V95-F100 HydrophobicContact CG1-CE1 3.94Å; F100-I102 HydrophobicContact CD2-CB 4.2Å; F100-I102 HydrophobicContact CE2-CB 4.14Å; F100-I102 HydrophobicContact CE2-CD1 4.34Å; F100-L105 HydrophobicContact CB-CD1 3.75Å; F100-L105 HydrophobicContact CD2-CD1 4.06Å; F100-L105 HydrophobicContact CG-CD1 4.21Å; F100-E223 HydrophobicContact CD1-CB 4.15Å; F100-E223 HydrophobicContact CD1-CG 4.18Å; F100-E223 HydrophobicContact CD2-CB 3.81Å; F100-E223 HydrophobicContact CD2-CG 4.17Å; F100-E223 HydrophobicContact CE1-CB 4.33Å; F100-E223 HydrophobicContact CE1-CG 3.86Å; F100-E223 HydrophobicContact CE2-CB 4Å; F100-E223 HydrophobicContact CE2-CG 3.84Å; F100-E223 HydrophobicContact CG-CB 3.9Å; F100-E223 HydrophobicContact CG-CG 4.34Å; F100-E223 HydrophobicContact CZ-CB 4.26Å; F100-E223 HydrophobicContact CZ-CG 3.69Å
101	N	98.5	Very high	98.3	Very high	49 Å²	49	51.4 Å²	51.4	26%	0.262	27%	0.266	S	S	.	.			trans	-104.4	114.6	164	178.4	-31.2	0	0	0	107.5	D103 I104 L105	N101-D103 VanDerWaalsContact C-N 3.33Å; N101-D103 PolarHBondContact O-N 2.76Å; N101-D103 WeakPolarHBondContact OD1-CB 3.31Å; N101-D103 PolarHBondContact OD1-N 2.89Å; N101-I104 HydrophobicContact CB-CD1 3.95Å; N101-I104 HydrophobicContact CB-CG1 4.19Å; N101-I104 PolarHBondContact OD1-N 3.24Å; N101-L105 WeakPolarHBondContact O-CG 3.4Å; N101-L105 PolarHBondContact O-N 3.48Å
102	I	98.6	Very high	98.2	Very high	42 Å²	42	49.1 Å²	49.1	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-27.8	-173.5	-168	53.5	0	0	0	113.1	F100 L105 N106 H219 V222 E223	F100-I102 HydrophobicContact CD2-CB 4.2Å; F100-I102 HydrophobicContact CE2-CB 4.14Å; F100-I102 HydrophobicContact CE2-CD1 4.34Å; I102-L105 PolarHBondContact O-N 3.02Å; I102-N106 VanDerWaalsContact O-CB 3.23Å; I102-N106 WeakPolarHBondContact O-CB 3.27Å; I102-N106 PolarHBondContact O-N 2.66Å; I102-N106 PolarHBondContact O-ND2 2.64Å; I102-H219 WeakPolarHBondContact CD1-NE2 3.38Å; I102-V222 HydrophobicContact CD1-CG2 4.3Å; I102-E223 WeakPolarHBondContact CD1-OE2 3.25Å
103	D	98.3	Very high	98.2	Very high	95 Å²	95	54.1 Å²	54.1	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-66.8	-44.1	179	-55.3	-41.9	0	0	0	110.6	M69 N101 L105 N106 E107	M69-D103 HydrophobicContact CE-CB 3.78Å; N101-D103 VanDerWaalsContact C-N 3.33Å; N101-D103 PolarHBondContact O-N 2.76Å; N101-D103 WeakPolarHBondContact OD1-CB 3.31Å; N101-D103 PolarHBondContact OD1-N 2.89Å; D103-L105 PolarHBondContact O-N 3.46Å; D103-N106 PolarHBondContact O-N 2.91Å; D103-E107 PolarHBondContact O-N 2.9Å
104	I	98.3	Very high	98.1	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.185	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-44.4	178.7	-59.4	176.8	0	0	0	110.1	M69 Y71 N101 Q108	M69-I104 HydrophobicContact CE-CG1 4.15Å; M69-I104 HydrophobicContact SD-CG1 4.23Å; Y71-I104 HydrophobicContact CD1-CD1 3.83Å; Y71-I104 HydrophobicContact CD1-CG1 3.96Å; Y71-I104 HydrophobicContact CD2-CD1 4.15Å; Y71-I104 HydrophobicContact CE1-CD1 3.55Å; Y71-I104 HydrophobicContact CE1-CG1 3.84Å; Y71-I104 HydrophobicContact CE2-CD1 3.91Å; Y71-I104 HydrophobicContact CG-CD1 4.13Å; N101-I104 HydrophobicContact CB-CD1 3.95Å; N101-I104 HydrophobicContact CB-CG1 4.19Å; N101-I104 PolarHBondContact OD1-N 3.24Å; I104-Q108 WeakPolarHBondContact O-CG 3.35Å; I104-Q108 PolarHBondContact O-N 2.78Å
105	L	98.5	Very high	98.1	Very high	30 Å²	30	51.9 Å²	51.9	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-42.3	178.3	-65.4	172.7	0	0	0	111.5	F100 N101 I102 D103 E107 Q108 F109 V222 E223	F100-L105 HydrophobicContact CB-CD1 3.75Å; F100-L105 HydrophobicContact CD2-CD1 4.06Å; F100-L105 HydrophobicContact CG-CD1 4.21Å; N101-L105 WeakPolarHBondContact O-CG 3.4Å; N101-L105 PolarHBondContact O-N 3.48Å; I102-L105 PolarHBondContact O-N 3.02Å; D103-L105 PolarHBondContact O-N 3.46Å; L105-E107 PolarHBondContact O-N 2.99Å; L105-Q108 PolarHBondContact O-N 3.41Å; L105-F109 WeakPolarHBondContact O-CD2 2.98Å; L105-F109 PolarHBondContact O-N 3.14Å; L105-V222 HydrophobicContact CB-CG2 3.9Å; L105-E223 HydrophobicContact CD1-CB 3.61Å
106	N	98.5	Very high	98.1	Very high	41 Å²	41	51.7 Å²	51.7	22%	0.219	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-50.1	175.9	-83.4	-25.4	0	0	0	110.7	I102 D103 Q108 F109 R110 H145	I102-N106 VanDerWaalsContact O-CB 3.23Å; I102-N106 WeakPolarHBondContact O-CB 3.27Å; I102-N106 PolarHBondContact O-N 2.66Å; I102-N106 PolarHBondContact O-ND2 2.64Å; D103-N106 PolarHBondContact O-N 2.91Å; N106-Q108 PolarHBondContact O-N 3.31Å; N106-F109 PolarHBondContact O-N 3.43Å; N106-R110 WeakPolarHBondContact O-CB 3.42Å; N106-R110 WeakPolarHBondContact O-CG 3.24Å; N106-R110 PolarHBondContact O-N 3.31Å; N106-H145 PolarHBondContact OD1-NE2 3.16Å
107	E	97.8	Very high	98.1	Very high	61 Å²	61	51.2 Å²	51.2	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-47.4	175.3	-73.4	-60.3	136.5	0	0	112	L66 P67 M69 D103 L105 F109 R110 L111	L66-E107 HydrophobicContact CD2-CB 3.63Å; P67-E107 HydrophobicContact CG-CG 4.28Å; M69-E107 HydrophobicContact CE-CG 3.92Å; M69-E107 HydrophobicContact SD-CB 4.46Å; M69-E107 HydrophobicContact SD-CG 4.09Å; D103-E107 PolarHBondContact O-N 2.9Å; L105-E107 PolarHBondContact O-N 2.99Å; E107-F109 VanDerWaalsContact C-N 3.35Å; E107-F109 PolarHBondContact O-N 2.97Å; E107-R110 PolarHBondContact O-N 3.08Å; E107-L111 WeakPolarHBondContact O-CB 3.5Å; E107-L111 WeakPolarHBondContact O-CG 3.32Å; E107-L111 PolarHBondContact O-N 3.03Å
108	Q	97.3	Very high	98.1	Very high	79 Å²	79	48.7 Å²	48.7	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-56.6	-42.3	179.7	-75.6	177.3	-29.5	0	0	113.9	L66 I104 L105 N106 Q112	L66-Q108 HydrophobicContact CD1-CG 4.16Å; L66-Q108 HydrophobicContact CD2-CG 3.85Å; L66-Q108 HydrophobicContact CG-CG 4.48Å; I104-Q108 WeakPolarHBondContact O-CG 3.35Å; I104-Q108 PolarHBondContact O-N 2.78Å; L105-Q108 PolarHBondContact O-N 3.41Å; N106-Q108 PolarHBondContact O-N 3.31Å; Q108-Q112 PolarHBondContact O-NE2 3.14Å
109	F	98.1	Very high	98.2	Very high	19 Å²	19	47 Å²	47	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-85.3	-29.5	179.3	-75	-85.4	0	0	0	112.9	L105 N106 E107 Q112 N113 T114 Y206 V222 L225	L105-F109 WeakPolarHBondContact O-CD2 2.98Å; L105-F109 PolarHBondContact O-N 3.14Å; N106-F109 PolarHBondContact O-N 3.43Å; E107-F109 VanDerWaalsContact C-N 3.35Å; E107-F109 PolarHBondContact O-N 2.97Å; F109-Q112 CarbonylContact O-C 3.47Å; F109-Q112 PolarHBondContact O-N 3.37Å; F109-N113 PolarHBondContact O-N 3.16Å; F109-T114 HydrophobicContact CD1-CG2 4.07Å; F109-T114 PolarHBondContact O-N 3.16Å; F109-T114 PolarHBondContact O-OG1 2.83Å; F109-T114 VanDerWaalsContact O-OG1 3.14Å; F109-Y206 HydrophobicContact CD1-CE2 4.45Å; F109-Y206 AromaticContact CE1-CE2 3.95Å; F109-Y206 HydrophobicContact CE1-CE2 3.95Å; F109-V222 HydrophobicContact CB-CB 4.19Å; F109-V222 HydrophobicContact CB-CG1 3.99Å; F109-V222 HydrophobicContact CB-CG2 4.39Å; F109-V222 HydrophobicContact CD2-CB 3.61Å; F109-V222 HydrophobicContact CD2-CG1 4.33Å; F109-V222 HydrophobicContact CD2-CG2 3.79Å; F109-V222 HydrophobicContact CE2-CB 4.12Å; F109-V222 HydrophobicContact CE2-CG2 4.49Å; F109-V222 HydrophobicContact CG-CB 3.91Å; F109-V222 HydrophobicContact CG-CG1 4.13Å; F109-V222 HydrophobicContact CG-CG2 4.35Å; F109-L225 HydrophobicContact CD1-CD1 3.95Å; F109-L225 HydrophobicContact CE1-CB 3.75Å; F109-L225 HydrophobicContact CE1-CD1 3.92Å; F109-L225 HydrophobicContact CZ-CB 3.71Å; F109-L225 HydrophobicContact CZ-CD1 4.46Å
110	R	96.9	Very high	98.2	Very high	150 Å²	150	44.9 Å²	44.9	57%	0.566	22%	0.217	S	C	*	.	H	α-helix	trans	-65.3	-41.4	173.9	-73.5	-96.2	-69.2	167.3	6.3	112	N106 E107 Q112 N113 G144	N106-R110 WeakPolarHBondContact O-CB 3.42Å; N106-R110 WeakPolarHBondContact O-CG 3.24Å; N106-R110 PolarHBondContact O-N 3.31Å; E107-R110 PolarHBondContact O-N 3.08Å; R110-Q112 PolarHBondContact O-N 3.34Å; R110-N113 PolarHBondContact O-N 3.29Å; R110-G144 WeakPolarHBondContact CD-O 3.31Å; R110-G144 PolarHBondContact NH1-O 2.96Å
111	L	96.8	Very high	98.2	Very high	67 Å²	67	43.4 Å²	43.4	35%	0.351	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.4	175.8	-66	170.3	0	0	0	112.8	V64 L66 E107	V64-L111 HydrophobicContact CB-CB 4.36Å; V64-L111 HydrophobicContact CG1-CB 4.07Å; V64-L111 HydrophobicContact CG1-CD1 4Å; V64-L111 HydrophobicContact CG1-CD2 3.83Å; V64-L111 HydrophobicContact CG1-CG 4.17Å; L66-L111 HydrophobicContact CD2-CD1 3.85Å; E107-L111 WeakPolarHBondContact O-CB 3.5Å; E107-L111 WeakPolarHBondContact O-CG 3.32Å; E107-L111 PolarHBondContact O-N 3.03Å
112	Q	96.3	Very high	98.2	Very high	100 Å²	100	41 Å²	41	47%	0.467	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	0.1	171.5	-69.8	173.2	73.8	0	0	113.1	Q108 F109 R110 T114	Q108-Q112 PolarHBondContact O-NE2 3.14Å; F109-Q112 CarbonylContact O-C 3.47Å; F109-Q112 PolarHBondContact O-N 3.37Å; R110-Q112 PolarHBondContact O-N 3.34Å; Q112-T114 PolarHBondContact O-N 2.96Å
113	N	97.6	Very high	98.2	Very high	109 Å²	109	39.3 Å²	39.3	58%	0.583	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	36.3	-175.5	-172.2	45.2	0	0	0	113.5	F109 R110 T115 R146	F109-N113 PolarHBondContact O-N 3.16Å; R110-N113 PolarHBondContact O-N 3.29Å; N113-T115 PolarHBondContact O-N 3.44Å; N113-R146 VanDerWaalsContact OD1-CD 3.27Å; N113-R146 WeakPolarHBondContact OD1-CD 3.34Å
114	T	98.3	Very high	98.2	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.025	18%	0.175	C	C	.	.			trans	-59.2	133.7	-169.1	-58.4	0	0	0	0	113	F109 Q112 I116 D205 Y206 L225	F109-T114 HydrophobicContact CD1-CG2 4.07Å; F109-T114 PolarHBondContact O-N 3.16Å; F109-T114 PolarHBondContact O-OG1 2.83Å; F109-T114 VanDerWaalsContact O-OG1 3.14Å; Q112-T114 PolarHBondContact O-N 2.96Å; T114-I116 HydrophobicContact CG2-CD1 4.07Å; T114-I116 HydrophobicContact CG2-CG1 4.34Å; T114-D205 WeakPolarHBondContact CA-OD2 3.25Å; T114-D205 HydrophobicContact CG2-CB 4.21Å; T114-Y206 HydrophobicContact CG2-CD2 3.63Å; T114-Y206 HydrophobicContact CG2-CE2 3.86Å; T114-L225 HydrophobicContact CG2-CD1 4.16Å
115	T	98.8	Very high	98.1	Very high	12 Å²	12	39.4 Å²	39.4	7%	0.074	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.7	174.6	-50.7	0	0	0	0	110.2	N113 R146 V204 D205 Y206	N113-T115 PolarHBondContact O-N 3.44Å; T115-R146 WeakPolarHBondContact CA-O 3.21Å; T115-R146 HydrophobicContact CG2-CB 3.87Å; T115-R146 WeakPolarHBondContact OG1-CD 3.43Å; T115-R146 PolarHBondContact OG1-NE 3.3Å; T115-V204 HydrophobicContact CG2-CB 4.44Å; T115-V204 HydrophobicContact CG2-CG1 3.95Å; T115-D205 PolarHBondContact N-OD2 3.1Å; T115-D205 PolarHBondContact O-N 3.46Å; T115-Y206 PolarHBondContact O-N 3.4Å
116	I	98.9	Very high	98.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.2	-176.2	-53.9	84.8	0	0	0	109.9	T114 F141 M142 H145 R146 V147 H148 V208 L225	T114-I116 HydrophobicContact CG2-CD1 4.07Å; T114-I116 HydrophobicContact CG2-CG1 4.34Å; I116-F141 HydrophobicContact CG2-CE1 4.23Å; I116-F141 HydrophobicContact CG2-CZ 3.78Å; I116-M142 HydrophobicContact CB-CG 4.23Å; I116-M142 HydrophobicContact CD1-CB 4.34Å; I116-M142 HydrophobicContact CD1-CG 4.23Å; I116-M142 HydrophobicContact CD1-SD 4.1Å; I116-M142 HydrophobicContact CG1-CE 4.43Å; I116-M142 HydrophobicContact CG1-CG 4.11Å; I116-M142 HydrophobicContact CG1-SD 3.97Å; I116-M142 HydrophobicContact CG2-CE 4.31Å; I116-M142 HydrophobicContact CG2-CG 4.24Å; I116-H145 HydrophobicContact CD1-CB 3.85Å; I116-R146 PolarHBondContact N-O 2.9Å; I116-V147 WeakPolarHBondContact O-CA 3.32Å; I116-H148 PolarHBondContact O-N 3.03Å; I116-V208 HydrophobicContact CG2-CG2 3.81Å; I116-L225 HydrophobicContact CD1-CD1 4.22Å; I116-L225 HydrophobicContact CG1-CD1 3.75Å; I116-L225 HydrophobicContact CG1-CD2 4.18Å; I116-L225 HydrophobicContact CG2-CD2 4.31Å
117	G	98.9	Very high	98.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	132.6	169.4	0	0	0	0	0	111.7	H148 Y206 L207 V208	G117-H148 CarbonylContact C-O 3.58Å; G117-H148 VanDerWaalsContact CA-O 3.27Å; G117-H148 WeakPolarHBondContact CA-O 3.34Å; G117-Y206 PolarHBondContact N-O 2.87Å; G117-L207 CarbonylContact O-C 3.54Å; G117-L207 WeakPolarHBondContact O-CA 3.3Å; G117-V208 PolarHBondContact O-N 3.29Å
118	L	98.9	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.1	171.7	-174.1	65.6	0	0	0	109.3	F133 F141 H148 Y149 Y150 V208 V210 F216	L118-F133 HydrophobicContact CD2-CE1 3.92Å; L118-F133 HydrophobicContact CD2-CZ 3.77Å; L118-F133 HydrophobicContact CG-CZ 4.31Å; L118-F141 HydrophobicContact CB-CE1 3.81Å; L118-F141 HydrophobicContact CB-CZ 4.05Å; L118-F141 HydrophobicContact CD1-CE1 4.33Å; L118-F141 HydrophobicContact CD1-CE2 4.06Å; L118-F141 HydrophobicContact CD1-CZ 3.86Å; L118-F141 HydrophobicContact CD2-CD1 4.02Å; L118-F141 HydrophobicContact CD2-CE1 4.04Å; L118-F141 HydrophobicContact CD2-CG 4.3Å; L118-F141 HydrophobicContact CD2-CZ 4.34Å; L118-F141 HydrophobicContact CG-CE1 4.29Å; L118-F141 HydrophobicContact CG-CZ 4.31Å; L118-H148 PolarHBondContact N-O 2.81Å; L118-Y149 HydrophobicContact CB-CD1 4.02Å; L118-Y149 HydrophobicContact CB-CE1 4.46Å; L118-Y149 HydrophobicContact CD2-CD1 3.81Å; L118-Y149 HydrophobicContact CD2-CE1 3.69Å; L118-Y149 HydrophobicContact CG-CD1 4.39Å; L118-Y150 PolarHBondContact O-N 3.38Å; L118-V208 WeakPolarHBondContact CA-O 3.48Å; L118-V208 HydrophobicContact CD1-CB 3.78Å; L118-V208 HydrophobicContact CD1-CG1 3.68Å; L118-V210 HydrophobicContact CD1-CG1 4.29Å; L118-V210 HydrophobicContact CD1-CG2 3.75Å; L118-V210 HydrophobicContact CG-CG2 4.36Å; L118-F216 HydrophobicContact CD2-CZ 4.25Å
119	T	98.8	Very high	98.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.1	177.3	65.5	0	0	0	0	110.5	Y150 F152 F200 L207 V208 C209 V210	T119-Y150 HydrophobicContact CG2-CD2 4.15Å; T119-F152 HydrophobicContact CG2-CE2 4.02Å; T119-F200 HydrophobicContact CG2-CE1 4.48Å; T119-F200 HydrophobicContact CG2-CE2 4Å; T119-F200 HydrophobicContact CG2-CZ 3.73Å; T119-L207 HydrophobicContact CG2-CD2 3.92Å; T119-V208 PolarHBondContact N-O 3.07Å; T119-C209 WeakPolarHBondContact OG1-CA 3.46Å; T119-C209 PolarHBondContact OG1-SG 2.75Å; T119-V210 PolarHBondContact O-N 3.04Å
120	V	98.8	Very high	98.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.8	-179.4	63.7	0	0	0	0	110.4	L130 F133 Y150 V151 F152 V212	V120-L130 HydrophobicContact CG1-CD2 4.4Å; V120-F133 HydrophobicContact CB-CE1 3.9Å; V120-F133 HydrophobicContact CB-CZ 3.86Å; V120-F133 HydrophobicContact CG1-CD1 4.46Å; V120-F133 HydrophobicContact CG1-CE1 3.86Å; V120-F133 HydrophobicContact CG1-CZ 4.33Å; V120-F133 HydrophobicContact CG2-CD1 4.25Å; V120-F133 HydrophobicContact CG2-CD2 4.41Å; V120-F133 HydrophobicContact CG2-CE1 3.84Å; V120-F133 HydrophobicContact CG2-CE2 3.99Å; V120-F133 HydrophobicContact CG2-CZ 3.69Å; V120-Y150 PolarHBondContact N-O 3.47Å; V120-V151 HydrophobicContact CG1-CB 4.49Å; V120-V151 HydrophobicContact CG1-CG2 3.94Å; V120-F152 PolarHBondContact O-N 3.47Å; V120-V212 HydrophobicContact CG2-CB 3.39Å; V120-V212 HydrophobicContact CG2-CG2 3.5Å
121	F	98.8	Very high	98.3	Very high	16 Å²	16	34.2 Å²	34.2	7%	0.07	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.2	-176.1	-75.3	-99.8	0	0	0	111.3	F152 R188 M191 I192 V212	F121-F152 HydrophobicContact CD1-CB 3.34Å; F121-F152 HydrophobicContact CD1-CD1 4.43Å; F121-F152 HydrophobicContact CD1-CD2 4.48Å; F121-F152 AromaticContact CD1-CG 3.89Å; F121-F152 HydrophobicContact CD1-CG 3.89Å; F121-F152 HydrophobicContact CD2-CB 4.32Å; F121-F152 HydrophobicContact CD2-CD2 4.22Å; F121-F152 HydrophobicContact CD2-CG 4.43Å; F121-F152 HydrophobicContact CE1-CB 3.38Å; F121-F152 AromaticContact CE1-CD1 3.58Å; F121-F152 HydrophobicContact CE1-CD1 3.58Å; F121-F152 AromaticContact CE1-CD2 3.99Å; F121-F152 HydrophobicContact CE1-CD2 3.99Å; F121-F152 HydrophobicContact CE1-CE1 4.27Å; F121-F152 AromaticContact CE1-CG 3.4Å; F121-F152 HydrophobicContact CE1-CG 3.4Å; F121-F152 HydrophobicContact CE2-CB 4.35Å; F121-F152 AromaticContact CE2-CD2 3.7Å; F121-F152 HydrophobicContact CE2-CD2 3.7Å; F121-F152 HydrophobicContact CE2-CE2 4.05Å; F121-F152 AromaticContact CE2-CG 4Å; F121-F152 HydrophobicContact CE2-CG 4Å; F121-F152 HydrophobicContact CG-CB 3.84Å; F121-F152 HydrophobicContact CG-CG 4.38Å; F121-F152 HydrophobicContact CZ-CB 3.9Å; F121-F152 AromaticContact CZ-CD1 3.69Å; F121-F152 HydrophobicContact CZ-CD1 3.69Å; F121-F152 AromaticContact CZ-CD2 3.57Å; F121-F152 HydrophobicContact CZ-CD2 3.57Å; F121-F152 AromaticContact CZ-CE1 3.97Å; F121-F152 HydrophobicContact CZ-CE1 3.97Å; F121-F152 AromaticContact CZ-CE2 3.88Å; F121-F152 HydrophobicContact CZ-CE2 3.88Å; F121-F152 AromaticContact CZ-CG 3.45Å; F121-F152 HydrophobicContact CZ-CG 3.45Å; F121-F152 VanDerWaalsContact CZ-CG 3.45Å; F121-F152 HydrophobicContact CZ-CZ 4.06Å; F121-R188 HydrophobicContact CB-CG 4.27Å; F121-R188 HydrophobicContact CD1-CG 3.86Å; F121-R188 HydrophobicContact CD2-CB 4.11Å; F121-R188 HydrophobicContact CD2-CG 3.72Å; F121-R188 HydrophobicContact CE1-CB 4.34Å; F121-R188 HydrophobicContact CE1-CG 4.11Å; F121-R188 HydrophobicContact CE2-CB 3.88Å; F121-R188 HydrophobicContact CE2-CG 3.99Å; F121-R188 HydrophobicContact CG-CB 4.45Å; F121-R188 HydrophobicContact CG-CG 3.66Å; F121-R188 HydrophobicContact CZ-CB 4.01Å; F121-R188 HydrophobicContact CZ-CG 4.18Å; F121-M191 HydrophobicContact CD1-SD 4.44Å; F121-M191 HydrophobicContact CE1-CB 3.89Å; F121-M191 HydrophobicContact CE1-CG 4.41Å; F121-M191 HydrophobicContact CE1-SD 3.66Å; F121-M191 HydrophobicContact CZ-CB 3.88Å; F121-I192 HydrophobicContact CE2-CD1 3.94Å; F121-I192 HydrophobicContact CE2-CG1 3.79Å; F121-I192 HydrophobicContact CZ-CD1 4.5Å; F121-I192 HydrophobicContact CZ-CG1 3.97Å; F121-V212 WeakPolarHBondContact O-CG1 3.34Å
122	A	98.6	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	82.1	-177.6	0	0	0	0	0	109.9	V127 L130 F152 T153 V212	A122-V127 HydrophobicContact CB-CG1 4.21Å; A122-V127 WeakPolarHBondContact O-CG1 3.37Å; A122-L130 HydrophobicContact CB-CD1 3.54Å; A122-L130 HydrophobicContact CB-CD2 3.72Å; A122-L130 HydrophobicContact CB-CG 3.54Å; A122-F152 PolarHBondContact N-O 3.48Å; A122-T153 WeakPolarHBondContact O-CA 3.46Å; A122-T153 VanDerWaalsContact O-CB 3.27Å; A122-T153 WeakPolarHBondContact O-CB 3.28Å; A122-T153 PolarHBondContact O-OG1 3.32Å; A122-V212 HydrophobicContact CB-CG2 4.32Å
123	I	98.5	Very high	98.5	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.031	15%	0.154	C	C	.	.			trans	-110.1	137.7	-171.1	-57.2	-67.7	0	0	0	110.5	K125 Y126 D154 V175 A177 V184	I123-K125 PolarHBondContact O-N 2.74Å; I123-Y126 WeakPolarHBondContact O-CB 3.41Å; I123-Y126 PolarHBondContact O-N 2.76Å; I123-D154 WeakPolarHBondContact CA-OD1 3.4Å; I123-D154 HydrophobicContact CD1-CB 4.36Å; I123-V175 HydrophobicContact CD1-CG2 3.68Å; I123-A177 HydrophobicContact CG2-CB 3.91Å; I123-V184 HydrophobicContact CB-CG1 3.78Å; I123-V184 HydrophobicContact CG1-CG1 3.99Å; I123-V184 HydrophobicContact CG2-CG1 3.97Å; I123-V184 HydrophobicContact CG2-CG2 3.91Å
124	K	98	Very high	98.6	Very high	48 Å²	48	24.2 Å²	24.2	21%	0.209	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	53.2	-131.7	-173.9	-60.7	175.5	-72.1	171.8	0	110.3	Y126 V127 D154 Q155 A177 Y178 K179 R352	K124-Y126 PolarHBondContact O-N 2.91Å; K124-V127 PolarHBondContact O-N 2.95Å; K124-D154 VanDerWaalsContact N-CG 3.33Å; K124-D154 PolarHBondContact N-OD1 2.84Å; K124-D154 PolarHBondContact N-OD2 3.45Å; K124-D154 VanDerWaalsContact N-OD2 3.1Å; K124-Q155 VanDerWaalsContact CA-NE2 3.35Å; K124-Q155 PolarHBondContact O-NE2 2.83Å; K124-A177 HydrophobicContact CG-CB 4.17Å; K124-Y178 PolarHBondContact NZ-O 3.3Å; K124-K179 PolarHBondContact NZ-O 3.22Å; K124-R352 PolarHBondContact NZ-O 3.34Å
125	K	98.2	Very high	98.6	Very high	85 Å²	85	27.3 Å²	27.3	37%	0.37	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-62.5	-14.3	-178	-64.5	178.2	175.5	173.2	0	114.5	I123 V127 A128 A350 V351 N353 P354	I123-K125 PolarHBondContact O-N 2.74Å; K125-V127 PolarHBondContact O-N 3.21Å; K125-A128 WeakPolarHBondContact O-CB 3.37Å; K125-A128 PolarHBondContact O-N 2.83Å; K125-A350 WeakPolarHBondContact CD-O 3.27Å; K125-A350 PolarHBondContact NZ-O 2.96Å; K125-V351 HydrophobicContact CB-CG2 4.03Å; K125-N353 VanDerWaalsContact CE-O 3.23Å; K125-N353 WeakPolarHBondContact CE-O 3.39Å; K125-N353 PolarHBondContact NZ-O 2.92Å; K125-P354 WeakPolarHBondContact CE-OXT 3.44Å; K125-P354 PolarHBondContact NZ-O 2.81Å; K125-P354 PolarHBondContact NZ-OXT 2.98Å
126	Y	98.3	Very high	98.6	Very high	31 Å²	31	27.3 Å²	27.3	12%	0.122	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-69.1	-11.6	-179.2	-78.4	-105.8	0	0	0	113.9	I123 K124 A128 F129 V212 D213 V351 R352	I123-Y126 WeakPolarHBondContact O-CB 3.41Å; I123-Y126 PolarHBondContact O-N 2.76Å; K124-Y126 PolarHBondContact O-N 2.91Å; Y126-A128 PolarHBondContact O-N 3.16Å; Y126-A128 VanDerWaalsContact O-N 3.15Å; Y126-F129 AromaticContact CD1-CD2 3.78Å; Y126-F129 HydrophobicContact CD1-CD2 3.78Å; Y126-F129 AromaticContact CD1-CE2 3.65Å; Y126-F129 HydrophobicContact CD1-CE2 3.65Å; Y126-F129 HydrophobicContact CE1-CE2 4.06Å; Y126-F129 HydrophobicContact CG-CD2 4.21Å; Y126-F129 HydrophobicContact CG-CE2 4.1Å; Y126-F129 WeakPolarHBondContact O-CD2 3.49Å; Y126-F129 PolarHBondContact O-N 3.24Å; Y126-F129 VanDerWaalsContact O-N 3.14Å; Y126-V212 HydrophobicContact CD1-CG1 3.75Å; Y126-V212 HydrophobicContact CG-CG1 4.36Å; Y126-D213 HydrophobicContact CD1-CB 4.23Å; Y126-D213 HydrophobicContact CE1-CB 4.07Å; Y126-V351 HydrophobicContact CD2-CG2 4.12Å; Y126-V351 HydrophobicContact CE2-CG1 4.01Å; Y126-V351 HydrophobicContact CE2-CG2 4.02Å; Y126-R352 HydrophobicContact CE2-CG 4.14Å; Y126-R352 WeakPolarHBondContact OH-CG 3.48Å; Y126-R352 PolarHBondContact OH-NE 3.43Å
127	V	98.4	Very high	98.6	Very high	23 Å²	23	27.3 Å²	27.3	14%	0.139	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-56.4	-25.7	169	-61.4	0	0	0	0	113.2	A122 K124 K125 F129 L130 Q155 A158	A122-V127 HydrophobicContact CB-CG1 4.21Å; A122-V127 WeakPolarHBondContact O-CG1 3.37Å; K124-V127 PolarHBondContact O-N 2.95Å; K125-V127 PolarHBondContact O-N 3.21Å; V127-F129 PolarHBondContact O-N 2.88Å; V127-L130 HydrophobicContact CB-CD1 4.39Å; V127-L130 WeakPolarHBondContact O-CB 3.32Å; V127-L130 PolarHBondContact O-N 2.98Å; V127-Q155 HydrophobicContact CG1-CB 4.36Å; V127-A158 HydrophobicContact CB-CB 4.08Å; V127-A158 HydrophobicContact CG1-CB 4.18Å; V127-A158 HydrophobicContact CG2-CB 3.99Å
128	A	98.2	Very high	98.6	Very high	83 Å²	83	29 Å²	29	69%	0.686	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-61.5	-25.7	177.2	0	0	0	0	0	114	K125 Y126	K125-A128 WeakPolarHBondContact O-CB 3.37Å; K125-A128 PolarHBondContact O-N 2.83Å; Y126-A128 PolarHBondContact O-N 3.16Å; Y126-A128 VanDerWaalsContact O-N 3.15Å
129	F	98.7	Very high	98.6	Very high	26 Å²	26	35.9 Å²	35.9	11%	0.114	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-82.6	-21.6	179.9	-58.1	-72.6	0	0	0	113.5	Y126 V127 K131 L132 F133 V212 D213 V344 K346 V351	Y126-F129 AromaticContact CD1-CD2 3.78Å; Y126-F129 HydrophobicContact CD1-CD2 3.78Å; Y126-F129 AromaticContact CD1-CE2 3.65Å; Y126-F129 HydrophobicContact CD1-CE2 3.65Å; Y126-F129 HydrophobicContact CE1-CE2 4.06Å; Y126-F129 HydrophobicContact CG-CD2 4.21Å; Y126-F129 HydrophobicContact CG-CE2 4.1Å; Y126-F129 WeakPolarHBondContact O-CD2 3.49Å; Y126-F129 PolarHBondContact O-N 3.24Å; Y126-F129 VanDerWaalsContact O-N 3.14Å; V127-F129 PolarHBondContact O-N 2.88Å; F129-K131 VanDerWaalsContact C-N 3.26Å; F129-K131 PolarHBondContact O-N 2.87Å; F129-K131 VanDerWaalsContact O-N 3.12Å; F129-L132 PolarHBondContact O-N 3.22Å; F129-F133 WeakPolarHBondContact O-CB 3.49Å; F129-F133 PolarHBondContact O-N 3.05Å; F129-V212 HydrophobicContact CB-CG1 4.32Å; F129-V212 HydrophobicContact CB-CG2 4.11Å; F129-V212 VanDerWaalsContact CB-O 3.31Å; F129-V212 WeakPolarHBondContact CB-O 3.47Å; F129-V212 HydrophobicContact CD2-CG1 4.25Å; F129-D213 HydrophobicContact CD1-CB 4.06Å; F129-D213 HydrophobicContact CD2-CB 3.72Å; F129-D213 HydrophobicContact CE1-CB 4.03Å; F129-D213 HydrophobicContact CE2-CB 3.69Å; F129-D213 HydrophobicContact CG-CB 3.92Å; F129-D213 HydrophobicContact CZ-CB 3.86Å; F129-V344 HydrophobicContact CD1-CB 4.27Å; F129-V344 HydrophobicContact CD1-CG1 4.03Å; F129-V344 HydrophobicContact CE1-CB 4.32Å; F129-V344 HydrophobicContact CE1-CG1 3.96Å; F129-K346 HydrophobicContact CE1-CB 4.43Å; F129-K346 HydrophobicContact CZ-CB 4.04Å; F129-K346 HydrophobicContact CZ-CD 4.42Å; F129-V351 HydrophobicContact CE2-CG2 3.84Å; F129-V351 HydrophobicContact CZ-CG2 4.13Å
130	L	98.8	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55	-37.2	-171.6	-79.9	172.7	0	0	0	114	V120 A122 V127 L134 V151 V159 P160 V212	V120-L130 HydrophobicContact CG1-CD2 4.4Å; A122-L130 HydrophobicContact CB-CD1 3.54Å; A122-L130 HydrophobicContact CB-CD2 3.72Å; A122-L130 HydrophobicContact CB-CG 3.54Å; V127-L130 HydrophobicContact CB-CD1 4.39Å; V127-L130 WeakPolarHBondContact O-CB 3.32Å; V127-L130 PolarHBondContact O-N 2.98Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.27Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.27Å; L130-L134 PolarHBondContact O-N 3.29Å; L130-V151 HydrophobicContact CD1-CG1 3.87Å; L130-V151 HydrophobicContact CD2-CG1 3.74Å; L130-V151 HydrophobicContact CD2-CG2 4.24Å; L130-V151 HydrophobicContact CG-CG1 4.49Å; L130-V159 HydrophobicContact CD1-CB 4.47Å; L130-V159 HydrophobicContact CD1-CG1 4.41Å; L130-V159 HydrophobicContact CD1-CG2 4.13Å; L130-P160 HydrophobicContact CB-CG 3.83Å; L130-V212 HydrophobicContact CD2-CG2 3.78Å; L130-V212 HydrophobicContact CG-CG2 4.16Å
131	K	98.7	Very high	98.6	Very high	108 Å²	108	38.1 Å²	38.1	47%	0.47	19%	0.189	S	C	.	.	H	α-helix	trans	-64.7	-51.8	-175.9	-173.9	-178.5	-178.2	-63.2	0	110.6	F129 E135 P160	F129-K131 VanDerWaalsContact C-N 3.26Å; F129-K131 PolarHBondContact O-N 2.87Å; F129-K131 VanDerWaalsContact O-N 3.12Å; K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 HydrophobicContact CG-CG 4.46Å; K131-E135 IonicContact NZ-OE1 3.16Å; K131-E135 PolarHBondContact NZ-OE1 3.16Å; K131-E135 IonicContact NZ-OE2 2.69Å; K131-E135 PolarHBondContact NZ-OE2 3.01Å; K131-E135 VanDerWaalsContact O-CB 3.26Å; K131-E135 WeakPolarHBondContact O-CB 3.42Å; K131-E135 VanDerWaalsContact O-CG 3.24Å; K131-E135 WeakPolarHBondContact O-CG 3.31Å; K131-E135 PolarHBondContact O-N 2.97Å; K131-P160 HydrophobicContact CB-CB 4.13Å; K131-P160 HydrophobicContact CB-CG 3.97Å; K131-P160 HydrophobicContact CG-CB 4.4Å
132	L	98.7	Very high	98.6	Very high	66 Å²	66	37.4 Å²	37.4	35%	0.346	19%	0.186	S	C	.	.	H	α-helix	trans	-64.9	-43.5	178.6	-179.1	62.4	0	0	0	111.2	F129 L134 T136 E215 V344	F129-L132 PolarHBondContact O-N 3.22Å; L132-L134 PolarHBondContact O-N 3.49Å; L132-T136 HydrophobicContact CD1-CG2 3.95Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 WeakPolarHBondContact O-CG2 3.37Å; L132-T136 PolarHBondContact O-N 3.4Å; L132-T136 PolarHBondContact O-OG1 3.36Å; L132-E215 HydrophobicContact CD2-CB 4.06Å; L132-E215 HydrophobicContact CG-CB 3.95Å; L132-V344 HydrophobicContact CD2-CG2 3.85Å
133	F	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.7	-52.6	176.7	177	-86.1	0	0	0	111.9	L118 V120 F129 T136 A137 V210 D211 V212 F216 F341	L118-F133 HydrophobicContact CD2-CE1 3.92Å; L118-F133 HydrophobicContact CD2-CZ 3.77Å; L118-F133 HydrophobicContact CG-CZ 4.31Å; V120-F133 HydrophobicContact CB-CE1 3.9Å; V120-F133 HydrophobicContact CB-CZ 3.86Å; V120-F133 HydrophobicContact CG1-CD1 4.46Å; V120-F133 HydrophobicContact CG1-CE1 3.86Å; V120-F133 HydrophobicContact CG1-CZ 4.33Å; V120-F133 HydrophobicContact CG2-CD1 4.25Å; V120-F133 HydrophobicContact CG2-CD2 4.41Å; V120-F133 HydrophobicContact CG2-CE1 3.84Å; V120-F133 HydrophobicContact CG2-CE2 3.99Å; V120-F133 HydrophobicContact CG2-CZ 3.69Å; F129-F133 WeakPolarHBondContact O-CB 3.49Å; F129-F133 PolarHBondContact O-N 3.05Å; F133-T136 PolarHBondContact O-OG1 3.02Å; F133-T136 VanDerWaalsContact O-OG1 3.12Å; F133-A137 VanDerWaalsContact O-CB 3.28Å; F133-A137 WeakPolarHBondContact O-CB 3.49Å; F133-A137 PolarHBondContact O-N 3.43Å; F133-V210 HydrophobicContact CE2-CG2 3.61Å; F133-V210 HydrophobicContact CZ-CG2 3.5Å; F133-V210 VanDerWaalsContact CZ-CG2 3.5Å; F133-D211 WeakPolarHBondContact CE2-O 3.35Å; F133-V212 HydrophobicContact CB-CG2 4.43Å; F133-V212 HydrophobicContact CG-CG2 4.38Å; F133-F216 HydrophobicContact CD2-CE2 4.3Å; F133-F216 AromaticContact CE2-CE2 3.94Å; F133-F216 HydrophobicContact CE2-CE2 3.94Å; F133-F216 HydrophobicContact CE2-CZ 4.46Å; F133-F216 HydrophobicContact CZ-CE2 4.1Å; F133-F216 HydrophobicContact CZ-CZ 4.5Å; F133-F341 HydrophobicContact CD2-CE2 4.29Å; F133-F341 AromaticContact CE2-CE2 3.95Å; F133-F341 HydrophobicContact CE2-CE2 3.95Å; F133-F341 HydrophobicContact CE2-CZ 4Å
134	L	98.9	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-71.2	-41.9	-177.7	-68.6	171	0	0	0	112.3	L130 L132 T136 A137 E138 Y149 P160 V162 L170	L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.27Å; L130-L134 VanDerWaalsContact O-CG 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.27Å; L130-L134 PolarHBondContact O-N 3.29Å; L132-L134 PolarHBondContact O-N 3.49Å; L134-T136 VanDerWaalsContact C-N 3.26Å; L134-T136 PolarHBondContact O-N 3.46Å; L134-A137 PolarHBondContact O-N 3.41Å; L134-E138 PolarHBondContact O-N 2.53Å; L134-Y149 HydrophobicContact CD2-CD1 3.88Å; L134-Y149 HydrophobicContact CD2-CE1 4.19Å; L134-Y149 HydrophobicContact CD2-CG 4.08Å; L134-P160 HydrophobicContact CD1-CG 4.38Å; L134-V162 HydrophobicContact CB-CB 4.27Å; L134-V162 HydrophobicContact CB-CG1 4.2Å; L134-V162 HydrophobicContact CB-CG2 3.95Å; L134-V162 HydrophobicContact CD1-CG2 4.23Å; L134-L170 HydrophobicContact CD1-CD1 3.64Å; L134-L170 HydrophobicContact CD2-CD1 3.89Å; L134-L170 HydrophobicContact CG-CD1 4.43Å
135	E	98.8	Very high	98.6	Very high	69 Å²	69	41.7 Å²	41.7	32%	0.322	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-27.5	178.6	-74.3	177.6	157.3	0	0	113.2	K131 V162	K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 HydrophobicContact CG-CG 4.46Å; K131-E135 IonicContact NZ-OE1 3.16Å; K131-E135 PolarHBondContact NZ-OE1 3.16Å; K131-E135 IonicContact NZ-OE2 2.69Å; K131-E135 PolarHBondContact NZ-OE2 3.01Å; K131-E135 VanDerWaalsContact O-CB 3.26Å; K131-E135 WeakPolarHBondContact O-CB 3.42Å; K131-E135 VanDerWaalsContact O-CG 3.24Å; K131-E135 WeakPolarHBondContact O-CG 3.31Å; K131-E135 PolarHBondContact O-N 2.97Å; E135-V162 HydrophobicContact CG-CG1 3.77Å; E135-V162 HydrophobicContact CG-CG2 4.14Å
136	T	98.8	Very high	98.6	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-85.5	-35.2	173	55.5	0	0	0	0	112.2	L132 F133 L134 E138 K139 H140 E215 F216	L132-T136 HydrophobicContact CD1-CG2 3.95Å; L132-T136 WeakPolarHBondContact O-CB 3.35Å; L132-T136 WeakPolarHBondContact O-CG2 3.37Å; L132-T136 PolarHBondContact O-N 3.4Å; L132-T136 PolarHBondContact O-OG1 3.36Å; F133-T136 PolarHBondContact O-OG1 3.02Å; F133-T136 VanDerWaalsContact O-OG1 3.12Å; L134-T136 VanDerWaalsContact C-N 3.26Å; L134-T136 PolarHBondContact O-N 3.46Å; T136-E138 VanDerWaalsContact C-N 3.31Å; T136-E138 PolarHBondContact O-N 3.3Å; T136-K139 PolarHBondContact O-N 2.75Å; T136-H140 PolarHBondContact O-CD2 2.74Å; T136-H140 PolarHBondContact O-N 3.5Å; T136-E215 HydrophobicContact CG2-CB 4.28Å; T136-F216 WeakPolarHBondContact CB-O 3.47Å; T136-F216 WeakPolarHBondContact CG2-O 3.36Å; T136-F216 PolarHBondContact OG1-N 2.72Å
137	A	98.9	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-40.8	171.7	0	0	0	0	0	112	F133 L134 K139 H140 F141 Y149 R168 F216	F133-A137 VanDerWaalsContact O-CB 3.28Å; F133-A137 WeakPolarHBondContact O-CB 3.49Å; F133-A137 PolarHBondContact O-N 3.43Å; L134-A137 PolarHBondContact O-N 3.41Å; A137-K139 PolarHBondContact O-N 2.89Å; A137-H140 PolarHBondContact O-N 2.97Å; A137-F141 HydrophobicContact CB-CB 4.12Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.48Å; A137-F141 PolarHBondContact O-N 3.08Å; A137-Y149 HydrophobicContact CB-CE1 3.82Å; A137-Y149 WeakPolarHBondContact CB-OH 3.47Å; A137-R168 PolarHBondContact O-NH2 3.1Å; A137-F216 HydrophobicContact CB-CD2 3.8Å; A137-F216 HydrophobicContact CB-CE2 3.63Å; A137-F216 HydrophobicContact CB-CZ 4.38Å
138	E	98.7	Very high	98.7	Very high	34 Å²	34	40.1 Å²	40.1	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-27.8	174.6	-76.9	-56.9	105.7	0	0	114	L134 T136 Y149 L164 G165 R168	L134-E138 PolarHBondContact O-N 2.53Å; T136-E138 VanDerWaalsContact C-N 3.31Å; T136-E138 PolarHBondContact O-N 3.3Å; E138-Y149 WeakPolarHBondContact OE1-CE2 3.34Å; E138-Y149 VanDerWaalsContact OE1-CZ 3.23Å; E138-Y149 PolarHBondContact OE1-OH 3.17Å; E138-L164 HydrophobicContact CG-CD2 3.99Å; E138-L164 WeakPolarHBondContact OE2-CA 3.37Å; E138-G165 PolarHBondContact OE2-N 3.49Å; E138-R168 IonicContact OE1-CZ 3.54Å; E138-R168 IonicContact OE1-NE 3.68Å; E138-R168 PolarHBondContact OE1-NE 2.89Å; E138-R168 IonicContact OE1-NH2 2.64Å; E138-R168 PolarHBondContact OE1-NH2 2.86Å; E138-R168 WeakPolarHBondContact OE2-CD 3.31Å; E138-R168 IonicContact OE2-NE 3.77Å; E138-R168 PolarHBondContact OE2-NE 2.74Å
139	K	98.7	Very high	98.7	Very high	145 Å²	145	36.2 Å²	36.2	63%	0.63	18%	0.182	S	C	*	.	H	α-helix	trans	-86.6	-24.8	-180	-64.8	174.3	-173.4	176.4	0	113.8	T136 A137	T136-K139 PolarHBondContact O-N 2.75Å; A137-K139 PolarHBondContact O-N 2.89Å
140	H	98.9	Very high	98.7	Very high	48 Å²	48	35 Å²	35	22%	0.222	18%	0.176	C	C	.	.	H	α-helix	trans	-136.3	-23.7	-161.1	-64.9	-58	0	0	0	115.4	T136 A137 F216 V220	T136-H140 PolarHBondContact O-CD2 2.74Å; T136-H140 PolarHBondContact O-N 3.5Å; A137-H140 PolarHBondContact O-N 2.97Å; H140-F216 HydrophobicContact CB-CB 3.7Å; H140-F216 HydrophobicContact CB-CG 4.46Å; H140-F216 PolarHBondContact CD2-O 3.4Å; H140-V220 PolarHBondContact O-N 2.63Å
141	F	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-93.3	114.7	-175.5	-179.1	-103.7	0	0	0	111.4	I116 L118 A137 V143 V147 R168 V208 F216 V220	I116-F141 HydrophobicContact CG2-CE1 4.23Å; I116-F141 HydrophobicContact CG2-CZ 3.78Å; L118-F141 HydrophobicContact CB-CE1 3.81Å; L118-F141 HydrophobicContact CB-CZ 4.05Å; L118-F141 HydrophobicContact CD1-CE1 4.33Å; L118-F141 HydrophobicContact CD1-CE2 4.06Å; L118-F141 HydrophobicContact CD1-CZ 3.86Å; L118-F141 HydrophobicContact CD2-CD1 4.02Å; L118-F141 HydrophobicContact CD2-CE1 4.04Å; L118-F141 HydrophobicContact CD2-CG 4.3Å; L118-F141 HydrophobicContact CD2-CZ 4.34Å; L118-F141 HydrophobicContact CG-CE1 4.29Å; L118-F141 HydrophobicContact CG-CZ 4.31Å; A137-F141 HydrophobicContact CB-CB 4.12Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.48Å; A137-F141 PolarHBondContact O-N 3.08Å; F141-V143 PolarHBondContact O-N 2.77Å; F141-V143 VanDerWaalsContact O-N 3.11Å; F141-V147 HydrophobicContact CD1-CG1 4.14Å; F141-V147 HydrophobicContact CD1-CG2 4.24Å; F141-V147 HydrophobicContact CE1-CG1 3.98Å; F141-V147 HydrophobicContact CE1-CG2 4.15Å; F141-R168 PolarHBondContact O-NH1 3.07Å; F141-R168 VanDerWaalsContact O-NH1 3.13Å; F141-R168 PolarHBondContact O-NH2 2.85Å; F141-V208 HydrophobicContact CE2-CB 4.32Å; F141-V208 HydrophobicContact CE2-CG1 4.16Å; F141-V208 HydrophobicContact CE2-CG2 4.19Å; F141-V208 HydrophobicContact CZ-CB 4.13Å; F141-V208 HydrophobicContact CZ-CG1 4.45Å; F141-V208 HydrophobicContact CZ-CG2 4Å; F141-F216 HydrophobicContact CB-CD1 4.38Å; F141-F216 HydrophobicContact CB-CE1 4.07Å; F141-F216 HydrophobicContact CB-CZ 4.29Å; F141-F216 AromaticContact CD2-CE1 3.94Å; F141-F216 HydrophobicContact CD2-CE1 3.94Å; F141-F216 HydrophobicContact CD2-CZ 4.24Å; F141-F216 HydrophobicContact CG-CE1 4.36Å; F141-F216 HydrophobicContact CG-CZ 4.44Å; F141-V220 WeakPolarHBondContact CA-O 3.2Å; F141-V220 HydrophobicContact CD2-CB 4.4Å; F141-V220 HydrophobicContact CD2-CG1 4.01Å; F141-V220 HydrophobicContact CE2-CG1 4.38Å
142	M	98.8	Very high	98.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.154	C	C	.	.	S	Bend	trans	51.3	39	171.7	-57.6	-68.7	171.5	0	0	113.4	I116 G144 H145 V147 R168 V220 G221 V222 I224 L225	I116-M142 HydrophobicContact CB-CG 4.23Å; I116-M142 HydrophobicContact CD1-CB 4.34Å; I116-M142 HydrophobicContact CD1-CG 4.23Å; I116-M142 HydrophobicContact CD1-SD 4.1Å; I116-M142 HydrophobicContact CG1-CE 4.43Å; I116-M142 HydrophobicContact CG1-CG 4.11Å; I116-M142 HydrophobicContact CG1-SD 3.97Å; I116-M142 HydrophobicContact CG2-CE 4.31Å; I116-M142 HydrophobicContact CG2-CG 4.24Å; M142-G144 PolarHBondContact O-N 3.47Å; M142-H145 HydrophobicContact CB-CB 4.41Å; M142-H145 PolarHBondContact O-N 3.15Å; M142-H145 VanDerWaalsContact O-N 3.13Å; M142-V147 HydrophobicContact CB-CG2 3.63Å; M142-V147 HydrophobicContact CG-CG2 4.45Å; M142-R168 PolarHBondContact O-NH1 3.07Å; M142-R168 VanDerWaalsContact O-NH1 3.13Å; M142-V220 PolarHBondContact N-O 2.97Å; M142-G221 VanDerWaalsContact CE-C 3.5Å; M142-G221 WeakPolarHBondContact CE-O 3.47Å; M142-V222 HydrophobicContact SD-CG1 3.82Å; M142-I224 HydrophobicContact CE-CD1 3.56Å; M142-I224 HydrophobicContact CE-CG1 3.69Å; M142-L225 HydrophobicContact CE-CD1 4.38Å; M142-L225 HydrophobicContact CE-CD2 3.74Å; M142-L225 HydrophobicContact CE-CG 3.96Å; M142-L225 HydrophobicContact SD-CD1 4.37Å
143	V	98.5	Very high	98.7	Very high	80 Å²	80	26.7 Å²	26.7	49%	0.485	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	132.7	-178.1	-178.9	0	0	0	0	109.7	F141 H145	F141-V143 PolarHBondContact O-N 2.77Å; F141-V143 VanDerWaalsContact O-N 3.11Å; V143-H145 VanDerWaalsContact C-N 3.33Å
144	G	97.8	Very high	98.7	Very high	50 Å²	50	28.5 Å²	28.5	52%	0.515	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-6.1	-174.9	0	0	0	0	0	115.6	R110 M142	R110-G144 WeakPolarHBondContact CD-O 3.31Å; R110-G144 PolarHBondContact NH1-O 2.96Å; M142-G144 PolarHBondContact O-N 3.47Å
145	H	98.6	Very high	98.7	Very high	15 Å²	15	32 Å²	32	7%	0.069	16%	0.164	C	C	.	.	S	Bend	trans	-110.2	165.7	175.2	-59.4	-92.4	0	0	0	111.4	N106 I116 M142 V143 V222	N106-H145 PolarHBondContact OD1-NE2 3.16Å; I116-H145 HydrophobicContact CD1-CB 3.85Å; M142-H145 HydrophobicContact CB-CB 4.41Å; M142-H145 PolarHBondContact O-N 3.15Å; M142-H145 VanDerWaalsContact O-N 3.13Å; V143-H145 VanDerWaalsContact C-N 3.33Å; H145-V222 VanDerWaalsContact CE1-CG1 3.43Å; H145-V222 WeakPolarHBondContact CE1-CG1 3.48Å; H145-V222 WeakPolarHBondContact NE2-CG1 3.3Å
146	R	98.8	Very high	98.7	Very high	103 Å²	103	31.1 Å²	31.1	39%	0.389	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.5	178.6	-64.7	170.6	51.8	76.6	5.3	109.8	N113 T115 I116 G167	N113-R146 VanDerWaalsContact OD1-CD 3.27Å; N113-R146 WeakPolarHBondContact OD1-CD 3.34Å; T115-R146 WeakPolarHBondContact CA-O 3.21Å; T115-R146 HydrophobicContact CG2-CB 3.87Å; T115-R146 WeakPolarHBondContact OG1-CD 3.43Å; T115-R146 PolarHBondContact OG1-NE 3.3Å; I116-R146 PolarHBondContact N-O 2.9Å; R146-G167 WeakPolarHBondContact CA-O 3.39Å
147	V	98.9	Very high	98.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.3	-177.2	173.5	0	0	0	0	112.1	I116 F141 M142 Y149 G167 R168 Q169	I116-V147 WeakPolarHBondContact O-CA 3.32Å; F141-V147 HydrophobicContact CD1-CG1 4.14Å; F141-V147 HydrophobicContact CD1-CG2 4.24Å; F141-V147 HydrophobicContact CE1-CG1 3.98Å; F141-V147 HydrophobicContact CE1-CG2 4.15Å; M142-V147 HydrophobicContact CB-CG2 3.63Å; M142-V147 HydrophobicContact CG-CG2 4.45Å; V147-Y149 HydrophobicContact CG1-CD1 4.32Å; V147-Y149 HydrophobicContact CG1-CD2 4.19Å; V147-Y149 HydrophobicContact CG1-CE1 4.06Å; V147-Y149 HydrophobicContact CG1-CE2 3.94Å; V147-Y149 HydrophobicContact CG1-CG 4.4Å; V147-G167 PolarHBondContact N-O 2.88Å; V147-R168 HydrophobicContact CB-CB 4.45Å; V147-R168 HydrophobicContact CB-CG 4.28Å; V147-R168 VanDerWaalsContact CG2-NH1 3.28Å; V147-R168 CarbonylContact O-C 3.57Å; V147-R168 VanDerWaalsContact O-CA 3.31Å; V147-R168 WeakPolarHBondContact O-CA 3.5Å; V147-Q169 PolarHBondContact O-N 2.91Å
148	H	98.8	Very high	98.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.6	171.5	-156.8	142.7	0	0	0	110	I116 G117 L118 Y150 Q169 S171 E203 V204	I116-H148 PolarHBondContact O-N 3.03Å; G117-H148 CarbonylContact C-O 3.58Å; G117-H148 VanDerWaalsContact CA-O 3.27Å; G117-H148 WeakPolarHBondContact CA-O 3.34Å; L118-H148 PolarHBondContact N-O 2.81Å; H148-Y150 HydrophobicContact CB-CE2 3.96Å; H148-Y150 AromaticContact CD2-CD1 3.79Å; H148-Y150 AromaticContact CD2-CE1 3.32Å; H148-Y150 WeakPolarHBondContact CD2-CE1 3.49Å; H148-Y150 AromaticContact CD2-CZ 3.51Å; H148-Y150 AromaticContact CE1-CE1 3.72Å; H148-Y150 AromaticContact CE1-CZ 3.95Å; H148-Y150 AromaticContact CG-CE1 3.76Å; H148-Y150 AromaticContact CG-CE2 4Å; H148-Y150 AromaticContact CG-CZ 3.45Å; H148-Y150 VanDerWaalsContact CG-CZ 3.45Å; H148-Y150 AromaticContact ND1-CZ 3.77Å; H148-Y150 PolarHBondContact ND1-OH 3.41Å; H148-Y150 AromaticContact NE2-CD1 3.93Å; H148-Y150 AromaticContact NE2-CE1 3.31Å; H148-Y150 VanDerWaalsContact NE2-CE1 3.31Å; H148-Y150 WeakPolarHBondContact NE2-CE1 3.41Å; H148-Y150 AromaticContact NE2-CZ 3.83Å; H148-Q169 CarbonylContact C-O 3.55Å; H148-Q169 WeakPolarHBondContact CA-O 3.45Å; H148-Q169 HydrophobicContact CB-CG 4.27Å; H148-Q169 PolarHBondContact CE1-NE2 2.89Å; H148-Q169 PolarHBondContact ND1-NE2 3.43Å; H148-S171 PolarHBondContact NE2-OG 2.85Å; H148-E203 VanDerWaalsContact CE1-CD 3.47Å; H148-E203 IonicContact CE1-OE1 3.35Å; H148-E203 IonicContact CE1-OE2 3.64Å; H148-E203 PolarHBondContact CE1-OE2 3.43Å; H148-E203 IonicContact ND1-OE2 3.71Å; H148-E203 PolarHBondContact ND1-OE2 3.09Å; H148-E203 IonicContact NE2-OE2 2.72Å; H148-V204 HydrophobicContact CB-CG1 3.91Å
149	Y	98.9	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.6	173.3	-60.2	-77.9	0	0	0	110.8	L118 L134 A137 E138 V147 L164 R168 Q169 L170 S171	L118-Y149 HydrophobicContact CB-CD1 4.02Å; L118-Y149 HydrophobicContact CB-CE1 4.46Å; L118-Y149 HydrophobicContact CD2-CD1 3.81Å; L118-Y149 HydrophobicContact CD2-CE1 3.69Å; L118-Y149 HydrophobicContact CG-CD1 4.39Å; L134-Y149 HydrophobicContact CD2-CD1 3.88Å; L134-Y149 HydrophobicContact CD2-CE1 4.19Å; L134-Y149 HydrophobicContact CD2-CG 4.08Å; A137-Y149 HydrophobicContact CB-CE1 3.82Å; A137-Y149 WeakPolarHBondContact CB-OH 3.47Å; E138-Y149 WeakPolarHBondContact OE1-CE2 3.34Å; E138-Y149 VanDerWaalsContact OE1-CZ 3.23Å; E138-Y149 PolarHBondContact OE1-OH 3.17Å; V147-Y149 HydrophobicContact CG1-CD1 4.32Å; V147-Y149 HydrophobicContact CG1-CD2 4.19Å; V147-Y149 HydrophobicContact CG1-CE1 4.06Å; V147-Y149 HydrophobicContact CG1-CE2 3.94Å; V147-Y149 HydrophobicContact CG1-CG 4.4Å; Y149-L164 HydrophobicContact CD2-CD1 4.45Å; Y149-L164 HydrophobicContact CD2-CD2 4.37Å; Y149-L164 HydrophobicContact CE2-CD2 4Å; Y149-R168 PolarHBondContact OH-NH2 3.14Å; Y149-Q169 WeakPolarHBondContact CD2-O 3.2Å; Y149-Q169 PolarHBondContact N-O 3.39Å; Y149-L170 HydrophobicContact CD2-CB 4.37Å; Y149-L170 CarbonylContact O-C 3.43Å; Y149-L170 WeakPolarHBondContact O-CA 3.48Å; Y149-S171 PolarHBondContact O-N 3.22Å
150	Y	98.8	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	98.8	174.8	-59.5	-72.4	0	0	0	109.2	L118 T119 V120 H148 F152 L173 R199 F200 E203 V204 L207	L118-Y150 PolarHBondContact O-N 3.38Å; T119-Y150 HydrophobicContact CG2-CD2 4.15Å; V120-Y150 PolarHBondContact N-O 3.47Å; H148-Y150 HydrophobicContact CB-CE2 3.96Å; H148-Y150 AromaticContact CD2-CD1 3.79Å; H148-Y150 AromaticContact CD2-CE1 3.32Å; H148-Y150 WeakPolarHBondContact CD2-CE1 3.49Å; H148-Y150 AromaticContact CD2-CZ 3.51Å; H148-Y150 AromaticContact CE1-CE1 3.72Å; H148-Y150 AromaticContact CE1-CZ 3.95Å; H148-Y150 AromaticContact CG-CE1 3.76Å; H148-Y150 AromaticContact CG-CE2 4Å; H148-Y150 AromaticContact CG-CZ 3.45Å; H148-Y150 VanDerWaalsContact CG-CZ 3.45Å; H148-Y150 AromaticContact ND1-CZ 3.77Å; H148-Y150 PolarHBondContact ND1-OH 3.41Å; H148-Y150 AromaticContact NE2-CD1 3.93Å; H148-Y150 AromaticContact NE2-CE1 3.31Å; H148-Y150 VanDerWaalsContact NE2-CE1 3.31Å; H148-Y150 WeakPolarHBondContact NE2-CE1 3.41Å; H148-Y150 AromaticContact NE2-CZ 3.83Å; Y150-F152 PolarHBondContact O-N 2.95Å; Y150-L173 HydrophobicContact CD1-CD1 4.09Å; Y150-L173 HydrophobicContact CG-CD1 4.4Å; Y150-R199 HydrophobicContact CE1-CG 4.43Å; Y150-F200 HydrophobicContact CD1-CD1 4.31Å; Y150-F200 AromaticContact CD1-CE1 3.6Å; Y150-F200 HydrophobicContact CD1-CE1 3.6Å; Y150-F200 AromaticContact CD2-CD1 3.99Å; Y150-F200 HydrophobicContact CD2-CD1 3.99Å; Y150-F200 AromaticContact CD2-CE1 3.49Å; Y150-F200 HydrophobicContact CD2-CE1 3.49Å; Y150-F200 VanDerWaalsContact CD2-CE1 3.49Å; Y150-F200 HydrophobicContact CD2-CZ 4.18Å; Y150-F200 AromaticContact CE1-CD1 3.91Å; Y150-F200 HydrophobicContact CE1-CD1 3.91Å; Y150-F200 AromaticContact CE1-CE1 3.67Å; Y150-F200 HydrophobicContact CE1-CE1 3.67Å; Y150-F200 AromaticContact CE2-CD1 3.57Å; Y150-F200 HydrophobicContact CE2-CD1 3.57Å; Y150-F200 AromaticContact CE2-CE1 3.57Å; Y150-F200 HydrophobicContact CE2-CE1 3.57Å; Y150-F200 HydrophobicContact CG-CD1 4.32Å; Y150-F200 AromaticContact CG-CE1 3.48Å; Y150-F200 HydrophobicContact CG-CE1 3.48Å; Y150-F200 VanDerWaalsContact CG-CE1 3.48Å; Y150-F200 HydrophobicContact CG-CZ 4.15Å; Y150-F200 AromaticContact CZ-CD1 3.51Å; Y150-F200 AromaticContact CZ-CE1 3.65Å; Y150-E203 VanDerWaalsContact CE1-OE2 3.24Å; Y150-E203 WeakPolarHBondContact CE1-OE2 3.41Å; Y150-E203 VanDerWaalsContact CZ-OE2 3.31Å; Y150-E203 WeakPolarHBondContact OH-CB 3.2Å; Y150-E203 PolarHBondContact OH-OE2 3.06Å; Y150-V204 HydrophobicContact CE2-CG1 4.16Å; Y150-V204 WeakPolarHBondContact OH-CG1 3.3Å; Y150-L207 HydrophobicContact CE2-CD2 4.46Å
151	V	98.8	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	101.9	-179.7	178.6	0	0	0	0	108.7	V120 L130 V159 L170 S171 V172 L173	V120-V151 HydrophobicContact CG1-CB 4.49Å; V120-V151 HydrophobicContact CG1-CG2 3.94Å; L130-V151 HydrophobicContact CD1-CG1 3.87Å; L130-V151 HydrophobicContact CD2-CG1 3.74Å; L130-V151 HydrophobicContact CD2-CG2 4.24Å; L130-V151 HydrophobicContact CG-CG1 4.49Å; V151-V159 HydrophobicContact CG1-CG1 4.32Å; V151-V159 HydrophobicContact CG1-CG2 3.9Å; V151-L170 HydrophobicContact CG2-CD1 3.9Å; V151-L170 HydrophobicContact CG2-CD2 4.21Å; V151-L170 HydrophobicContact CG2-CG 4.09Å; V151-S171 PolarHBondContact N-O 2.93Å; V151-V172 WeakPolarHBondContact O-CA 3.42Å; V151-L173 PolarHBondContact O-N 2.81Å
152	F	98.8	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121	172.9	-70.3	-97.5	0	0	0	109.6	T119 V120 F121 A122 Y150 L173 V175 M191 F195 F200	T119-F152 HydrophobicContact CG2-CE2 4.02Å; V120-F152 PolarHBondContact O-N 3.47Å; F121-F152 HydrophobicContact CD1-CB 3.34Å; F121-F152 HydrophobicContact CD1-CD1 4.43Å; F121-F152 HydrophobicContact CD1-CD2 4.48Å; F121-F152 AromaticContact CD1-CG 3.89Å; F121-F152 HydrophobicContact CD1-CG 3.89Å; F121-F152 HydrophobicContact CD2-CB 4.32Å; F121-F152 HydrophobicContact CD2-CD2 4.22Å; F121-F152 HydrophobicContact CD2-CG 4.43Å; F121-F152 HydrophobicContact CE1-CB 3.38Å; F121-F152 AromaticContact CE1-CD1 3.58Å; F121-F152 HydrophobicContact CE1-CD1 3.58Å; F121-F152 AromaticContact CE1-CD2 3.99Å; F121-F152 HydrophobicContact CE1-CD2 3.99Å; F121-F152 HydrophobicContact CE1-CE1 4.27Å; F121-F152 AromaticContact CE1-CG 3.4Å; F121-F152 HydrophobicContact CE1-CG 3.4Å; F121-F152 HydrophobicContact CE2-CB 4.35Å; F121-F152 AromaticContact CE2-CD2 3.7Å; F121-F152 HydrophobicContact CE2-CD2 3.7Å; F121-F152 HydrophobicContact CE2-CE2 4.05Å; F121-F152 AromaticContact CE2-CG 4Å; F121-F152 HydrophobicContact CE2-CG 4Å; F121-F152 HydrophobicContact CG-CB 3.84Å; F121-F152 HydrophobicContact CG-CG 4.38Å; F121-F152 HydrophobicContact CZ-CB 3.9Å; F121-F152 AromaticContact CZ-CD1 3.69Å; F121-F152 HydrophobicContact CZ-CD1 3.69Å; F121-F152 AromaticContact CZ-CD2 3.57Å; F121-F152 HydrophobicContact CZ-CD2 3.57Å; F121-F152 AromaticContact CZ-CE1 3.97Å; F121-F152 HydrophobicContact CZ-CE1 3.97Å; F121-F152 AromaticContact CZ-CE2 3.88Å; F121-F152 HydrophobicContact CZ-CE2 3.88Å; F121-F152 AromaticContact CZ-CG 3.45Å; F121-F152 HydrophobicContact CZ-CG 3.45Å; F121-F152 VanDerWaalsContact CZ-CG 3.45Å; F121-F152 HydrophobicContact CZ-CZ 4.06Å; A122-F152 PolarHBondContact N-O 3.48Å; Y150-F152 PolarHBondContact O-N 2.95Å; F152-L173 WeakPolarHBondContact CA-O 2.98Å; F152-L173 HydrophobicContact CD1-CB 4.01Å; F152-L173 HydrophobicContact CD1-CD1 4.14Å; F152-L173 HydrophobicContact CD2-CD1 4.2Å; F152-L173 HydrophobicContact CE1-CB 4.29Å; F152-L173 HydrophobicContact CE1-CD1 3.72Å; F152-L173 HydrophobicContact CE2-CD1 3.76Å; F152-L173 HydrophobicContact CG-CB 4.33Å; F152-L173 HydrophobicContact CG-CD1 4.39Å; F152-L173 HydrophobicContact CZ-CD1 3.53Å; F152-V175 HydrophobicContact CB-CG2 4.14Å; F152-V175 HydrophobicContact CD1-CG1 3.87Å; F152-V175 HydrophobicContact CD1-CG2 4.44Å; F152-M191 HydrophobicContact CD1-CB 4.36Å; F152-M191 HydrophobicContact CE1-CB 4.06Å; F152-F195 AromaticContact CE1-CD2 3.55Å; F152-F195 HydrophobicContact CE1-CD2 3.55Å; F152-F195 AromaticContact CE1-CE2 3.82Å; F152-F195 HydrophobicContact CE1-CE2 3.82Å; F152-F195 HydrophobicContact CE1-CG 4.05Å; F152-F195 HydrophobicContact CZ-CB 4.15Å; F152-F195 HydrophobicContact CZ-CD2 4.03Å; F152-F195 HydrophobicContact CZ-CG 4.08Å; F152-F200 HydrophobicContact CE2-CZ 4.12Å; F152-F200 AromaticContact CZ-CZ 3.86Å; F152-F200 HydrophobicContact CZ-CZ 3.86Å
153	T	98.8	Very high	98.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	153.9	-176.4	-171.1	0	0	0	0	112.9	A122 Q155 P156 V159 V172 L173 E174 V175	A122-T153 WeakPolarHBondContact O-CA 3.46Å; A122-T153 VanDerWaalsContact O-CB 3.27Å; A122-T153 WeakPolarHBondContact O-CB 3.28Å; A122-T153 PolarHBondContact O-OG1 3.32Å; T153-Q155 VanDerWaalsContact C-N 3.35Å; T153-Q155 PolarHBondContact OG1-N 3.01Å; T153-P156 HydrophobicContact CG2-CG 4.35Å; T153-V159 HydrophobicContact CG2-CG2 3.87Å; T153-V172 HydrophobicContact CG2-CG1 3.62Å; T153-L173 PolarHBondContact N-O 2.83Å; T153-E174 CarbonylContact O-C 3.59Å; T153-E174 WeakPolarHBondContact O-CA 3.37Å; T153-V175 PolarHBondContact O-N 2.89Å
154	D	98.5	Very high	98.5	Very high	39 Å²	39	47.9 Å²	47.9	21%	0.209	27%	0.27	C	S	.	.	S	Bend	trans	-88.5	-3.8	167.5	63.3	-31.5	0	0	0	112.6	I123 K124 V175 A177	I123-D154 WeakPolarHBondContact CA-OD1 3.4Å; I123-D154 HydrophobicContact CD1-CB 4.36Å; K124-D154 VanDerWaalsContact N-CG 3.33Å; K124-D154 PolarHBondContact N-OD1 2.84Å; K124-D154 PolarHBondContact N-OD2 3.45Å; K124-D154 VanDerWaalsContact N-OD2 3.1Å; D154-V175 VanDerWaalsContact CA-O 3.32Å; D154-V175 WeakPolarHBondContact CA-O 3.41Å; D154-A177 HydrophobicContact CB-CB 3.85Å; D154-A177 WeakPolarHBondContact OD2-CB 3.07Å
155	Q	98.5	Very high	98.5	Very high	73 Å²	73	47.2 Å²	47.2	34%	0.341	26%	0.262	S	S	.	.			trans	-136.5	74.2	-175.4	-65.8	154.9	89	0	0	110.7	K124 V127 T153 A157 A158	K124-Q155 VanDerWaalsContact CA-NE2 3.35Å; K124-Q155 PolarHBondContact O-NE2 2.83Å; V127-Q155 HydrophobicContact CG1-CB 4.36Å; T153-Q155 VanDerWaalsContact C-N 3.35Å; T153-Q155 PolarHBondContact OG1-N 3.01Å; Q155-A157 PolarHBondContact O-N 2.94Å; Q155-A157 VanDerWaalsContact O-N 3.1Å; Q155-A158 HydrophobicContact CB-CB 3.8Å; Q155-A158 WeakPolarHBondContact O-CB 3.35Å; Q155-A158 PolarHBondContact O-N 3.21Å
156	P	98.5	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	-54.6	-34.3	-177.2	-28.6	36.4	0	0	0	114.5	T153 A158 V159 V172 E174	T153-P156 HydrophobicContact CG2-CG 4.35Å; P156-A158 VanDerWaalsContact C-N 3.26Å; P156-A158 PolarHBondContact O-N 2.82Å; P156-V159 PolarHBondContact O-N 3.49Å; P156-V172 HydrophobicContact CB-CG1 3.91Å; P156-V172 HydrophobicContact CG-CG1 4.41Å; P156-E174 HydrophobicContact CG-CB 3.9Å; P156-E174 HydrophobicContact CG-CG 3.75Å
157	A	98.4	Very high	98.4	Very high	109 Å²	109	50.8 Å²	50.8	90%	0.901	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.4	177.3	0	0	0	0	0	114.5	Q155	Q155-A157 PolarHBondContact O-N 2.94Å; Q155-A157 VanDerWaalsContact O-N 3.1Å
158	A	98.4	Very high	98.4	Very high	43 Å²	43	52 Å²	52	36%	0.355	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-89.4	-5.8	177.5	0	0	0	0	0	113.3	V127 Q155 P156	V127-A158 HydrophobicContact CB-CB 4.08Å; V127-A158 HydrophobicContact CG1-CB 4.18Å; V127-A158 HydrophobicContact CG2-CB 3.99Å; Q155-A158 HydrophobicContact CB-CB 3.8Å; Q155-A158 WeakPolarHBondContact O-CB 3.35Å; Q155-A158 PolarHBondContact O-N 3.21Å; P156-A158 VanDerWaalsContact C-N 3.26Å; P156-A158 PolarHBondContact O-N 2.82Å
159	V	98.7	Very high	98.4	Very high	22 Å²	22	56.5 Å²	56.5	13%	0.133	33%	0.331	C	S	.	.	S	Bend	trans	-69.1	123.1	176.4	-178.2	0	0	0	0	109.4	L130 V151 T153 P156 L170 V172	L130-V159 HydrophobicContact CD1-CB 4.47Å; L130-V159 HydrophobicContact CD1-CG1 4.41Å; L130-V159 HydrophobicContact CD1-CG2 4.13Å; V151-V159 HydrophobicContact CG1-CG1 4.32Å; V151-V159 HydrophobicContact CG1-CG2 3.9Å; T153-V159 HydrophobicContact CG2-CG2 3.87Å; P156-V159 PolarHBondContact O-N 3.49Å; V159-L170 HydrophobicContact CG1-CD2 4.35Å; V159-V172 HydrophobicContact CB-CG2 4.1Å; V159-V172 HydrophobicContact CG1-CG2 3.97Å; V159-V172 HydrophobicContact CG2-CG1 3.88Å; V159-V172 HydrophobicContact CG2-CG2 3.91Å
160	P	98.3	Very high	98.4	Very high	33 Å²	33	59 Å²	59	21%	0.214	34%	0.344	C	S	.	.			trans	-70.4	142.8	-175.8	28.2	-34	0	0	0	111.5	L130 K131 L134 V162	L130-P160 HydrophobicContact CB-CG 3.83Å; K131-P160 HydrophobicContact CB-CB 4.13Å; K131-P160 HydrophobicContact CB-CG 3.97Å; K131-P160 HydrophobicContact CG-CB 4.4Å; L134-P160 HydrophobicContact CD1-CG 4.38Å; P160-V162 HydrophobicContact CB-CG2 4.25Å; P160-V162 HydrophobicContact CG-CG2 4.18Å; P160-V162 PolarHBondContact O-N 2.83Å; P160-V162 VanDerWaalsContact O-N 3.13Å
161	R	97.3	Very high	98.4	Very high	260 Å²	260	60 Å²	60	98%	0.981	35%	0.351	S	S	*	.			trans	-75.1	99.3	168.9	-63.4	-174.1	-175.7	111.6	1.3	109
162	V	97.9	Very high	98.4	Very high	23 Å²	23	62.8 Å²	62.8	14%	0.139	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-103.6	135.3	175.9	178.2	0	0	0	0	109.3	L134 E135 P160 L164	L134-V162 HydrophobicContact CB-CB 4.27Å; L134-V162 HydrophobicContact CB-CG1 4.2Å; L134-V162 HydrophobicContact CB-CG2 3.95Å; L134-V162 HydrophobicContact CD1-CG2 4.23Å; E135-V162 HydrophobicContact CG-CG1 3.77Å; E135-V162 HydrophobicContact CG-CG2 4.14Å; P160-V162 HydrophobicContact CB-CG2 4.25Å; P160-V162 HydrophobicContact CG-CG2 4.18Å; P160-V162 PolarHBondContact O-N 2.83Å; P160-V162 VanDerWaalsContact O-N 3.13Å; V162-L164 HydrophobicContact CG1-CD2 4.43Å; V162-L164 PolarHBondContact O-N 2.98Å
163	T	98.2	Very high	98.3	Very high	132 Å²	132	63.2 Å²	63.2	81%	0.81	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-68.2	122.7	174.4	-55.4	0	0	0	0	109.6
164	L	98.6	Very high	98.3	Very high	51 Å²	51	70.3 Å²	70.3	27%	0.267	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-103.3	144.5	178.1	-51.7	-177.7	0	0	0	111.2	E138 Y149 V162 R168 L170	E138-L164 HydrophobicContact CG-CD2 3.99Å; E138-L164 WeakPolarHBondContact OE2-CA 3.37Å; Y149-L164 HydrophobicContact CD2-CD1 4.45Å; Y149-L164 HydrophobicContact CD2-CD2 4.37Å; Y149-L164 HydrophobicContact CE2-CD2 4Å; V162-L164 HydrophobicContact CG1-CD2 4.43Å; V162-L164 PolarHBondContact O-N 2.98Å; L164-R168 HydrophobicContact CB-CB 4.35Å; L164-L170 HydrophobicContact CD1-CB 3.86Å
165	G	97.9	Very high	98.3	Very high	35 Å²	35	69.4 Å²	69.4	36%	0.361	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-70.1	164.3	172.1	0	0	0	0	0	113.6	E138 G167 R168	E138-G165 PolarHBondContact OE2-N 3.49Å; G165-G167 PolarHBondContact O-N 2.9Å; G165-R168 VanDerWaalsContact O-CB 3.32Å; G165-R168 WeakPolarHBondContact O-CB 3.07Å; G165-R168 WeakPolarHBondContact O-CG 3.25Å; G165-R168 PolarHBondContact O-N 2.82Å
166	T	97.6	Very high	98.3	Very high	151 Å²	151	74 Å²	74	93%	0.926	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	136.2	179	-53.6	0	0	0	0	112.1	R168	T166-R168 VanDerWaalsContact C-N 3.3Å
167	G	97.8	Very high	98.2	Very high	42 Å²	42	73.6 Å²	73.6	43%	0.433	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	10.7	-179.2	0	0	0	0	0	114.5	R146 V147 G165	R146-G167 WeakPolarHBondContact CA-O 3.39Å; V147-G167 PolarHBondContact N-O 2.88Å; G165-G167 PolarHBondContact O-N 2.9Å
168	R	98.7	Very high	98.2	Very high	28 Å²	28	70.2 Å²	70.2	11%	0.106	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140	-179.9	-48.2	175.3	71.8	93.2	-12.3	109.6	A137 E138 F141 M142 V147 Y149 L164 G165 T166	A137-R168 PolarHBondContact O-NH2 3.1Å; E138-R168 IonicContact OE1-CZ 3.54Å; E138-R168 IonicContact OE1-NE 3.68Å; E138-R168 PolarHBondContact OE1-NE 2.89Å; E138-R168 IonicContact OE1-NH2 2.64Å; E138-R168 PolarHBondContact OE1-NH2 2.86Å; E138-R168 WeakPolarHBondContact OE2-CD 3.31Å; E138-R168 IonicContact OE2-NE 3.77Å; E138-R168 PolarHBondContact OE2-NE 2.74Å; F141-R168 PolarHBondContact O-NH1 3.07Å; F141-R168 VanDerWaalsContact O-NH1 3.13Å; F141-R168 PolarHBondContact O-NH2 2.85Å; M142-R168 PolarHBondContact O-NH1 3.07Å; M142-R168 VanDerWaalsContact O-NH1 3.13Å; V147-R168 HydrophobicContact CB-CB 4.45Å; V147-R168 HydrophobicContact CB-CG 4.28Å; V147-R168 VanDerWaalsContact CG2-NH1 3.28Å; V147-R168 CarbonylContact O-C 3.57Å; V147-R168 VanDerWaalsContact O-CA 3.31Å; V147-R168 WeakPolarHBondContact O-CA 3.5Å; Y149-R168 PolarHBondContact OH-NH2 3.14Å; L164-R168 HydrophobicContact CB-CB 4.35Å; G165-R168 VanDerWaalsContact O-CB 3.32Å; G165-R168 WeakPolarHBondContact O-CB 3.07Å; G165-R168 WeakPolarHBondContact O-CG 3.25Å; G165-R168 PolarHBondContact O-N 2.82Å; T166-R168 VanDerWaalsContact C-N 3.3Å
169	Q	98.6	Very high	98.1	Very high	96 Å²	96	77.7 Å²	77.7	45%	0.449	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.4	-178.9	64.4	-173.6	-3.6	0	0	111.6	V147 H148 Y149	V147-Q169 PolarHBondContact O-N 2.91Å; H148-Q169 CarbonylContact C-O 3.55Å; H148-Q169 WeakPolarHBondContact CA-O 3.45Å; H148-Q169 HydrophobicContact CB-CG 4.27Å; H148-Q169 PolarHBondContact CE1-NE2 2.89Å; H148-Q169 PolarHBondContact ND1-NE2 3.43Å; Y149-Q169 WeakPolarHBondContact CD2-O 3.2Å; Y149-Q169 PolarHBondContact N-O 3.39Å
170	L	98.8	Very high	98	Very high	52 Å²	52	81 Å²	81	27%	0.272	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.2	178.7	-175.2	152	0	0	0	109.9	L134 Y149 V151 V159 L164 V172	L134-L170 HydrophobicContact CD1-CD1 3.64Å; L134-L170 HydrophobicContact CD2-CD1 3.89Å; L134-L170 HydrophobicContact CG-CD1 4.43Å; Y149-L170 HydrophobicContact CD2-CB 4.37Å; Y149-L170 CarbonylContact O-C 3.43Å; Y149-L170 WeakPolarHBondContact O-CA 3.48Å; V151-L170 HydrophobicContact CG2-CD1 3.9Å; V151-L170 HydrophobicContact CG2-CD2 4.21Å; V151-L170 HydrophobicContact CG2-CG 4.09Å; V159-L170 HydrophobicContact CG1-CD2 4.35Å; L164-L170 HydrophobicContact CD1-CB 3.86Å; L170-V172 HydrophobicContact CD2-CG2 3.74Å
171	S	98.6	Very high	97.9	Very high	22 Å²	22	82.7 Å²	82.7	15%	0.154	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.7	171.4	-71	0	0	0	0	110	H148 Y149 V151 R199	H148-S171 PolarHBondContact NE2-OG 2.85Å; Y149-S171 PolarHBondContact O-N 3.22Å; V151-S171 PolarHBondContact N-O 2.93Å; S171-R199 PolarHBondContact OG-NH1 3.31Å; S171-R199 PolarHBondContact OG-NH2 3.26Å
172	V	98.6	Very high	97.9	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	-88.2	128.3	173.4	-175.6	0	0	0	0	108.1	V151 T153 P156 V159 L170	V151-V172 WeakPolarHBondContact O-CA 3.42Å; T153-V172 HydrophobicContact CG2-CG1 3.62Å; P156-V172 HydrophobicContact CB-CG1 3.91Å; P156-V172 HydrophobicContact CG-CG1 4.41Å; V159-V172 HydrophobicContact CB-CG2 4.1Å; V159-V172 HydrophobicContact CG1-CG2 3.97Å; V159-V172 HydrophobicContact CG2-CG1 3.88Å; V159-V172 HydrophobicContact CG2-CG2 3.91Å; L170-V172 HydrophobicContact CD2-CG2 3.74Å
173	L	98.4	Very high	97.9	Very high	9 Å²	9	72.4 Å²	72.4	5%	0.047	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.3	-178.4	-54.1	-178.5	0	0	0	107.7	Y150 V151 F152 T153 V175 F195	Y150-L173 HydrophobicContact CD1-CD1 4.09Å; Y150-L173 HydrophobicContact CG-CD1 4.4Å; V151-L173 PolarHBondContact O-N 2.81Å; F152-L173 WeakPolarHBondContact CA-O 2.98Å; F152-L173 HydrophobicContact CD1-CB 4.01Å; F152-L173 HydrophobicContact CD1-CD1 4.14Å; F152-L173 HydrophobicContact CD2-CD1 4.2Å; F152-L173 HydrophobicContact CE1-CB 4.29Å; F152-L173 HydrophobicContact CE1-CD1 3.72Å; F152-L173 HydrophobicContact CE2-CD1 3.76Å; F152-L173 HydrophobicContact CG-CB 4.33Å; F152-L173 HydrophobicContact CG-CD1 4.39Å; F152-L173 HydrophobicContact CZ-CD1 3.53Å; T153-L173 PolarHBondContact N-O 2.83Å; L173-V175 PolarHBondContact O-N 3.1Å; L173-F195 HydrophobicContact CB-CE1 4.37Å; L173-F195 HydrophobicContact CB-CZ 4.19Å; L173-F195 HydrophobicContact CD1-CD1 3.75Å; L173-F195 HydrophobicContact CD1-CE1 3.79Å; L173-F195 HydrophobicContact CD1-CG 4.2Å; L173-F195 HydrophobicContact CD1-CZ 4.24Å; L173-F195 HydrophobicContact CD2-CD1 4.34Å; L173-F195 HydrophobicContact CD2-CE1 3.75Å; L173-F195 HydrophobicContact CD2-CZ 4.37Å; L173-F195 HydrophobicContact CG-CE1 4.18Å; L173-F195 HydrophobicContact CG-CZ 4.5Å
174	E	98.3	Very high	97.8	Very high	148 Å²	148	67.4 Å²	67.4	69%	0.692	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.4	-179.4	-169.4	173.4	176.4	0	0	110.7	T153 P156	T153-E174 CarbonylContact O-C 3.59Å; T153-E174 WeakPolarHBondContact O-CA 3.37Å; P156-E174 HydrophobicContact CG-CB 3.9Å; P156-E174 HydrophobicContact CG-CG 3.75Å
175	V	98.2	Very high	97.7	Very high	20 Å²	20	66.2 Å²	66.2	12%	0.121	34%	0.343	C	S	.	.			trans	-141.4	153.3	179.9	-67.9	0	0	0	0	111.4	I123 F152 T153 D154 L173 M191	I123-V175 HydrophobicContact CD1-CG2 3.68Å; F152-V175 HydrophobicContact CB-CG2 4.14Å; F152-V175 HydrophobicContact CD1-CG1 3.87Å; F152-V175 HydrophobicContact CD1-CG2 4.44Å; T153-V175 PolarHBondContact O-N 2.89Å; D154-V175 VanDerWaalsContact CA-O 3.32Å; D154-V175 WeakPolarHBondContact CA-O 3.41Å; L173-V175 PolarHBondContact O-N 3.1Å; V175-M191 HydrophobicContact CB-CE 4.04Å; V175-M191 HydrophobicContact CB-SD 3.82Å; V175-M191 HydrophobicContact CG1-CG 4.46Å; V175-M191 HydrophobicContact CG1-SD 3.9Å; V175-M191 HydrophobicContact CG2-CE 4.45Å; V175-M191 HydrophobicContact CG2-SD 3.9Å
176	R	97.8	Very high	97.7	Very high	169 Å²	169	65.4 Å²	65.4	64%	0.638	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-63.9	137.9	-179.9	64.5	-179.2	-65.2	177.5	5.5	112.7	Y178 M191	R176-Y178 HydrophobicContact CG-CD2 4.23Å; R176-Y178 HydrophobicContact CG-CE2 3.67Å; R176-M191 HydrophobicContact CG-CE 4.24Å
177	A	97.6	Very high	97.8	Very high	43 Å²	43	59.4 Å²	59.4	36%	0.355	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-75.5	129.7	165	0	0	0	0	0	111.3	I123 K124 D154	I123-A177 HydrophobicContact CG2-CB 3.91Å; K124-A177 HydrophobicContact CG-CB 4.17Å; D154-A177 HydrophobicContact CB-CB 3.85Å; D154-A177 WeakPolarHBondContact OD2-CB 3.07Å
178	Y	97.2	Very high	97.8	Very high	38 Å²	38	58.2 Å²	58.2	15%	0.149	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-88.9	146.6	165.9	-73.1	-98.9	0	0	0	110.5	K124 R176 D183 V184 R187 M191	K124-Y178 PolarHBondContact NZ-O 3.3Å; R176-Y178 HydrophobicContact CG-CD2 4.23Å; R176-Y178 HydrophobicContact CG-CE2 3.67Å; Y178-D183 HydrophobicContact CD1-CB 3.9Å; Y178-D183 HydrophobicContact CG-CB 3.93Å; Y178-V184 WeakPolarHBondContact O-CG2 3.38Å; Y178-R187 HydrophobicContact CD1-CG 4.32Å; Y178-R187 HydrophobicContact CD2-CB 4.13Å; Y178-R187 HydrophobicContact CD2-CG 3.92Å; Y178-R187 HydrophobicContact CE1-CG 4.02Å; Y178-R187 HydrophobicContact CE2-CB 3.78Å; Y178-R187 HydrophobicContact CE2-CG 3.58Å; Y178-R187 HydrophobicContact CG-CG 4.29Å; Y178-M191 HydrophobicContact CD2-CE 4.47Å; Y178-M191 HydrophobicContact CE2-CE 3.83Å
179	K	96.4	Very high	97.8	Very high	199 Å²	199	56.9 Å²	56.9	87%	0.865	27%	0.268	S	S	*	.	S	Bend	trans	-62	-57	-175.8	-175.2	178	-179.2	179.1	0	111.2	K124	K124-K179 PolarHBondContact NZ-O 3.22Å
180	R	97	Very high	97.8	Very high	93 Å²	93	54.5 Å²	54.5	35%	0.351	26%	0.257	S	S	.	.	S	Bend	trans	-74.1	143.3	178.7	-65.5	172.8	64.5	-123.9	7.2	110.2	Q182 D183 V184 E297	R180-Q182 VanDerWaalsContact C-N 3.28Å; R180-D183 HydrophobicContact CB-CB 4.35Å; R180-D183 WeakPolarHBondContact CB-OD2 3.43Å; R180-D183 WeakPolarHBondContact CD-OD2 3.19Å; R180-D183 IonicContact CZ-OD2 2.89Å; R180-D183 IonicContact NE-OD2 2.68Å; R180-D183 IonicContact NH1-OD1 3.43Å; R180-D183 IonicContact NH1-OD2 3.47Å; R180-D183 PolarHBondContact NH1-OD2 3.38Å; R180-D183 PolarHBondContact O-N 3.18Å; R180-V184 WeakPolarHBondContact O-CG2 3.47Å; R180-V184 PolarHBondContact O-N 3.36Å; R180-E297 IonicContact CZ-OE1 3.82Å; R180-E297 IonicContact CZ-OE2 3.13Å; R180-E297 VanDerWaalsContact CZ-OE2 3.24Å; R180-E297 IonicContact NH1-OE1 3.35Å; R180-E297 IonicContact NH1-OE2 3.84Å; R180-E297 PolarHBondContact NH1-OE2 3Å; R180-E297 IonicContact NH2-OE1 2.76Å; R180-E297 PolarHBondContact NH2-OE1 3.35Å; R180-E297 IonicContact NH2-OE2 2.66Å; R180-E297 PolarHBondContact NH2-OE2 2.96Å
181	W	96.6	Very high	97.7	Very high	67 Å²	67	53.1 Å²	53.1	25%	0.254	25%	0.249	S	C	.	.	H	α-helix	trans	-71.1	-28.8	176.3	69.4	-94.8	0	0	0	111.8	V184 S185 H301 R352	W181-V184 WeakPolarHBondContact O-CB 3.41Å; W181-V184 PolarHBondContact O-N 3.22Å; W181-S185 PolarHBondContact O-N 3.47Å; W181-H301 AromaticContact CH2-CE1 3.36Å; W181-H301 WeakPolarHBondContact CH2-CE1 3.46Å; W181-H301 AromaticContact CH2-ND1 3.83Å; W181-H301 AromaticContact CZ3-CE1 3.93Å; W181-H301 AromaticContact CZ3-ND1 3.97Å; W181-R352 HydrophobicContact CB-CB 3.88Å; W181-R352 HydrophobicContact CB-CG 3.85Å; W181-R352 HydrophobicContact CG-CB 4.02Å; W181-R352 HydrophobicContact CG-CG 3.94Å
182	Q	97.4	Very high	97.7	Very high	38 Å²	38	52.2 Å²	52.2	18%	0.178	24%	0.243	C	C	.	.	H	α-helix	trans	-56	-53.4	171.7	-63.7	91.2	-26.4	0	0	110.7	R180 V184 S185 M186 H301	R180-Q182 VanDerWaalsContact C-N 3.28Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 2.96Å; Q182-S185 WeakPolarHBondContact O-CB 3.33Å; Q182-S185 PolarHBondContact O-N 3.3Å; Q182-S185 VanDerWaalsContact O-N 3.1Å; Q182-M186 HydrophobicContact CB-CE 4.3Å; Q182-M186 WeakPolarHBondContact O-CG 3.27Å; Q182-M186 PolarHBondContact O-N 2.82Å; Q182-H301 VanDerWaalsContact CG-CD2 3.45Å; Q182-H301 WeakPolarHBondContact CG-CD2 3.28Å; Q182-H301 WeakPolarHBondContact CG-NE2 3.5Å
183	D	97.7	Very high	97.7	Very high	29 Å²	29	49.8 Å²	49.8	16%	0.155	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-37.7	176.8	-71.6	-68.1	0	0	0	112.2	Y178 R180 S185 M186 R187	Y178-D183 HydrophobicContact CD1-CB 3.9Å; Y178-D183 HydrophobicContact CG-CB 3.93Å; R180-D183 HydrophobicContact CB-CB 4.35Å; R180-D183 WeakPolarHBondContact CB-OD2 3.43Å; R180-D183 WeakPolarHBondContact CD-OD2 3.19Å; R180-D183 IonicContact CZ-OD2 2.89Å; R180-D183 IonicContact NE-OD2 2.68Å; R180-D183 IonicContact NH1-OD1 3.43Å; R180-D183 IonicContact NH1-OD2 3.47Å; R180-D183 PolarHBondContact NH1-OD2 3.38Å; R180-D183 PolarHBondContact O-N 3.18Å; D183-S185 VanDerWaalsContact C-N 3.31Å; D183-S185 PolarHBondContact O-N 2.94Å; D183-M186 PolarHBondContact O-N 3.31Å; D183-R187 WeakPolarHBondContact O-CB 3.41Å; D183-R187 WeakPolarHBondContact O-CG 3.44Å; D183-R187 PolarHBondContact O-N 3.5Å
184	V	96.7	Very high	97.7	Very high	27 Å²	27	52 Å²	52	16%	0.164	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-41.5	173.2	171.6	0	0	0	0	111.7	I123 Y178 R180 W181 Q182 R188	I123-V184 HydrophobicContact CB-CG1 3.78Å; I123-V184 HydrophobicContact CG1-CG1 3.99Å; I123-V184 HydrophobicContact CG2-CG1 3.97Å; I123-V184 HydrophobicContact CG2-CG2 3.91Å; Y178-V184 WeakPolarHBondContact O-CG2 3.38Å; R180-V184 WeakPolarHBondContact O-CG2 3.47Å; R180-V184 PolarHBondContact O-N 3.36Å; W181-V184 WeakPolarHBondContact O-CB 3.41Å; W181-V184 PolarHBondContact O-N 3.22Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 2.96Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å
185	S	96.2	Very high	97.7	Very high	27 Å²	27	46.5 Å²	46.5	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-47.8	177.8	-165.6	0	0	0	0	112.2	W181 Q182 D183 R187 R188 D302	W181-S185 PolarHBondContact O-N 3.47Å; Q182-S185 WeakPolarHBondContact O-CB 3.33Å; Q182-S185 PolarHBondContact O-N 3.3Å; Q182-S185 VanDerWaalsContact O-N 3.1Å; D183-S185 VanDerWaalsContact C-N 3.31Å; D183-S185 PolarHBondContact O-N 2.94Å; S185-R187 PolarHBondContact O-N 3.41Å; S185-R188 WeakPolarHBondContact O-CB 3.25Å; S185-R188 WeakPolarHBondContact O-CG 3.46Å; S185-R188 PolarHBondContact O-N 3.45Å; S185-R188 PolarHBondContact O-NE 3.48Å; S185-D302 VanDerWaalsContact C-OD1 3.27Å; S185-D302 VanDerWaalsContact CB-OD1 3.25Å; S185-D302 WeakPolarHBondContact CB-OD1 3.23Å; S185-D302 PolarHBondContact OG-OD1 2.79Å; S185-D302 PolarHBondContact OG-OD2 2.91Å
186	M	98.3	Very high	97.6	Very high	18 Å²	18	45.5 Å²	45.5	9%	0.089	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-41.6	-178	-70.7	-169.2	-63.6	0	0	113	Q182 D183 R188 M189 M288 E297 H301 D302	Q182-M186 HydrophobicContact CB-CE 4.3Å; Q182-M186 WeakPolarHBondContact O-CG 3.27Å; Q182-M186 PolarHBondContact O-N 2.82Å; D183-M186 PolarHBondContact O-N 3.31Å; M186-R188 PolarHBondContact O-N 3.35Å; M186-M189 PolarHBondContact O-N 3.09Å; M186-M288 HydrophobicContact CB-CE 4.29Å; M186-M288 HydrophobicContact CB-SD 3.54Å; M186-M288 VanDerWaalsContact CB-SD 3.54Å; M186-M288 HydrophobicContact CG-SD 3.55Å; M186-M288 VanDerWaalsContact CG-SD 3.55Å; M186-M288 VanDerWaalsContact O-CE 3.28Å; M186-M288 WeakPolarHBondContact O-CE 3.39Å; M186-M288 HydrophobicContact SD-SD 3.87Å; M186-E297 HydrophobicContact CE-CG 4.2Å; M186-E297 VanDerWaalsContact CE-OE2 3.3Å; M186-E297 WeakPolarHBondContact CE-OE2 3.31Å; M186-E297 HydrophobicContact SD-CG 4.2Å; M186-H301 HydrophobicContact CG-CB 3.72Å; M186-H301 HydrophobicContact SD-CB 4.13Å; M186-D302 PolarHBondContact N-OD1 3.38Å
187	R	98.2	Very high	97.4	Very high	24 Å²	24	43.1 Å²	43.1	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-73.3	-7.2	-174.8	-60.3	-75.7	170.2	-173.6	-7.1	113	Y178 D183 S185 M189 E190 M191 M289	Y178-R187 HydrophobicContact CD1-CG 4.32Å; Y178-R187 HydrophobicContact CD2-CB 4.13Å; Y178-R187 HydrophobicContact CD2-CG 3.92Å; Y178-R187 HydrophobicContact CE1-CG 4.02Å; Y178-R187 HydrophobicContact CE2-CB 3.78Å; Y178-R187 HydrophobicContact CE2-CG 3.58Å; Y178-R187 HydrophobicContact CG-CG 4.29Å; D183-R187 WeakPolarHBondContact O-CB 3.41Å; D183-R187 WeakPolarHBondContact O-CG 3.44Å; D183-R187 PolarHBondContact O-N 3.5Å; S185-R187 PolarHBondContact O-N 3.41Å; R187-M189 VanDerWaalsContact C-N 3.25Å; R187-M189 PolarHBondContact O-N 3.36Å; R187-E190 WeakPolarHBondContact CD-OE2 3.33Å; R187-E190 IonicContact CZ-OE2 3.57Å; R187-E190 IonicContact NE-OE2 3.53Å; R187-E190 IonicContact NH1-OE2 3.13Å; R187-E190 PolarHBondContact NH1-OE2 3.12Å; R187-E190 WeakPolarHBondContact O-CB 3.27Å; R187-E190 PolarHBondContact O-N 3.11Å; R187-M191 HydrophobicContact CB-CE 4.26Å; R187-M191 VanDerWaalsContact O-CG 3.31Å; R187-M191 WeakPolarHBondContact O-CG 3.37Å; R187-M191 PolarHBondContact O-N 2.65Å; R187-M289 PolarHBondContact NH1-SD 2.9Å
188	R	98.3	Very high	97.2	Very high	17 Å²	17	48.9 Å²	48.9	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-39.6	167.5	-58.7	-174.6	-59.1	157.6	0.2	111.8	F121 V184 S185 M186 M191 I192 D211 G267 D302	F121-R188 HydrophobicContact CB-CG 4.27Å; F121-R188 HydrophobicContact CD1-CG 3.86Å; F121-R188 HydrophobicContact CD2-CB 4.11Å; F121-R188 HydrophobicContact CD2-CG 3.72Å; F121-R188 HydrophobicContact CE1-CB 4.34Å; F121-R188 HydrophobicContact CE1-CG 4.11Å; F121-R188 HydrophobicContact CE2-CB 3.88Å; F121-R188 HydrophobicContact CE2-CG 3.99Å; F121-R188 HydrophobicContact CG-CB 4.45Å; F121-R188 HydrophobicContact CG-CG 3.66Å; F121-R188 HydrophobicContact CZ-CB 4.01Å; F121-R188 HydrophobicContact CZ-CG 4.18Å; V184-R188 WeakPolarHBondContact O-CG 3.38Å; S185-R188 WeakPolarHBondContact O-CB 3.25Å; S185-R188 WeakPolarHBondContact O-CG 3.46Å; S185-R188 PolarHBondContact O-N 3.45Å; S185-R188 PolarHBondContact O-NE 3.48Å; M186-R188 PolarHBondContact O-N 3.35Å; R188-M191 PolarHBondContact O-N 2.8Å; R188-I192 HydrophobicContact CB-CD1 4.43Å; R188-I192 WeakPolarHBondContact O-CB 3.42Å; R188-I192 WeakPolarHBondContact O-CD1 3.44Å; R188-I192 WeakPolarHBondContact O-CG1 3.22Å; R188-I192 PolarHBondContact O-N 3.41Å; R188-D211 IonicContact CZ-OD1 3.73Å; R188-D211 IonicContact NH1-OD1 3.65Å; R188-D211 PolarHBondContact NH1-OD1 3.02Å; R188-D211 IonicContact NH2-OD1 2.76Å; R188-G267 PolarHBondContact NH2-O 3.1Å; R188-D302 IonicContact CZ-OD2 2.68Å; R188-D302 IonicContact NE-OD2 3.39Å; R188-D302 IonicContact NH2-OD2 2.66Å; R188-D302 PolarHBondContact NH2-OD2 3.01Å
189	M	98.4	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-44.2	179.1	-62.6	-65.6	177.6	0	0	111.6	M186 R187 S193 F270 L280 T281 C284 H285 M288 D302	M186-M189 PolarHBondContact O-N 3.09Å; R187-M189 VanDerWaalsContact C-N 3.25Å; R187-M189 PolarHBondContact O-N 3.36Å; M189-S193 WeakPolarHBondContact O-CB 3.45Å; M189-S193 PolarHBondContact O-N 3.11Å; M189-S193 VanDerWaalsContact O-N 3.08Å; M189-S193 PolarHBondContact O-OG 3.02Å; M189-F270 HydrophobicContact CE-CE1 3.93Å; M189-F270 HydrophobicContact CE-CZ 3.89Å; M189-F270 HydrophobicContact SD-CZ 4.03Å; M189-L280 HydrophobicContact CE-CD2 4.48Å; M189-L280 HydrophobicContact SD-CD2 4.13Å; M189-T281 WeakPolarHBondContact O-CB 3.42Å; M189-T281 HydrophobicContact SD-CG2 3.81Å; M189-C284 HydrophobicContact CB-CB 4.34Å; M189-C284 HydrophobicContact CG-CB 3.95Å; M189-C284 HydrophobicContact SD-CB 4.01Å; M189-H285 HydrophobicContact CB-CB 4.2Å; M189-M288 HydrophobicContact CB-CE 3.69Å; M189-M288 HydrophobicContact CG-CE 3.66Å; M189-D302 HydrophobicContact CE-CB 3.92Å; M189-D302 HydrophobicContact CG-CB 4.19Å
190	E	98.5	Very high	97.2	Very high	47 Å²	47	40.5 Å²	40.5	22%	0.22	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-56	173.5	-169.7	177	149.3	0	0	110.4	R187 I192 S193 D194 H285	R187-E190 WeakPolarHBondContact CD-OE2 3.33Å; R187-E190 IonicContact CZ-OE2 3.57Å; R187-E190 IonicContact NE-OE2 3.53Å; R187-E190 IonicContact NH1-OE2 3.13Å; R187-E190 PolarHBondContact NH1-OE2 3.12Å; R187-E190 WeakPolarHBondContact O-CB 3.27Å; R187-E190 PolarHBondContact O-N 3.11Å; E190-I192 PolarHBondContact O-N 2.99Å; E190-S193 PolarHBondContact O-N 2.86Å; E190-S193 VanDerWaalsContact O-N 3.14Å; E190-S193 PolarHBondContact O-OG 2.99Å; E190-D194 PolarHBondContact O-N 2.91Å; E190-H285 VanDerWaalsContact CD-CE1 3.45Å; E190-H285 IonicContact OE2-CE1 3.5Å; E190-H285 PolarHBondContact OE2-CE1 3.24Å; E190-H285 IonicContact OE2-ND1 3.86Å
191	M	98.2	Very high	97.2	Very high	22 Å²	22	40.9 Å²	40.9	11%	0.108	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-39.1	-175.4	-65.8	173.2	-174.4	0	0	113.3	F121 F152 V175 R176 Y178 R187 R188 F195	F121-M191 HydrophobicContact CD1-SD 4.44Å; F121-M191 HydrophobicContact CE1-CB 3.89Å; F121-M191 HydrophobicContact CE1-CG 4.41Å; F121-M191 HydrophobicContact CE1-SD 3.66Å; F121-M191 HydrophobicContact CZ-CB 3.88Å; F152-M191 HydrophobicContact CD1-CB 4.36Å; F152-M191 HydrophobicContact CE1-CB 4.06Å; V175-M191 HydrophobicContact CB-CE 4.04Å; V175-M191 HydrophobicContact CB-SD 3.82Å; V175-M191 HydrophobicContact CG1-CG 4.46Å; V175-M191 HydrophobicContact CG1-SD 3.9Å; V175-M191 HydrophobicContact CG2-CE 4.45Å; V175-M191 HydrophobicContact CG2-SD 3.9Å; R176-M191 HydrophobicContact CG-CE 4.24Å; Y178-M191 HydrophobicContact CD2-CE 4.47Å; Y178-M191 HydrophobicContact CE2-CE 3.83Å; R187-M191 HydrophobicContact CB-CE 4.26Å; R187-M191 VanDerWaalsContact O-CG 3.31Å; R187-M191 WeakPolarHBondContact O-CG 3.37Å; R187-M191 PolarHBondContact O-N 2.65Å; R188-M191 PolarHBondContact O-N 2.8Å; M191-F195 VanDerWaalsContact O-CD2 3.32Å; M191-F195 WeakPolarHBondContact O-CD2 3.45Å; M191-F195 PolarHBondContact O-N 2.88Å; M191-F195 VanDerWaalsContact O-N 3.11Å
192	I	98.6	Very high	97.2	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-42.5	174.2	-64.3	160.9	0	0	0	110	F121 R188 E190 D194 F195 C196 F200 C209 F270 V277 T281	F121-I192 HydrophobicContact CE2-CD1 3.94Å; F121-I192 HydrophobicContact CE2-CG1 3.79Å; F121-I192 HydrophobicContact CZ-CD1 4.5Å; F121-I192 HydrophobicContact CZ-CG1 3.97Å; R188-I192 HydrophobicContact CB-CD1 4.43Å; R188-I192 WeakPolarHBondContact O-CB 3.42Å; R188-I192 WeakPolarHBondContact O-CD1 3.44Å; R188-I192 WeakPolarHBondContact O-CG1 3.22Å; R188-I192 PolarHBondContact O-N 3.41Å; E190-I192 PolarHBondContact O-N 2.99Å; I192-D194 PolarHBondContact O-N 3.2Å; I192-F195 PolarHBondContact O-N 3.44Å; I192-C196 PolarHBondContact O-N 3.45Å; I192-C196 PolarHBondContact O-SG 2.96Å; I192-F200 HydrophobicContact CG2-CE2 4.32Å; I192-C209 HydrophobicContact CD1-CB 4.21Å; I192-F270 HydrophobicContact CD1-CZ 4.2Å; I192-V277 HydrophobicContact CG2-CG1 3.82Å; I192-T281 HydrophobicContact CB-CG2 4.01Å; I192-T281 HydrophobicContact CD1-CG2 4.42Å; I192-T281 HydrophobicContact CG2-CG2 3.8Å
193	S	98	Very high	97.3	Very high	7 Å²	7	43.6 Å²	43.6	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-40.3	-179.4	76.5	0	0	0	0	112.7	M189 E190 C196 T281	M189-S193 WeakPolarHBondContact O-CB 3.45Å; M189-S193 PolarHBondContact O-N 3.11Å; M189-S193 VanDerWaalsContact O-N 3.08Å; M189-S193 PolarHBondContact O-OG 3.02Å; E190-S193 PolarHBondContact O-N 2.86Å; E190-S193 VanDerWaalsContact O-N 3.14Å; E190-S193 PolarHBondContact O-OG 2.99Å; S193-C196 WeakPolarHBondContact O-CB 3.44Å; S193-C196 PolarHBondContact O-N 3.1Å; S193-T281 WeakPolarHBondContact CB-OG1 3.38Å
194	D	97.8	Very high	97.3	Very high	56 Å²	56	42.7 Å²	42.7	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-60	-48.4	173	-93.3	18.1	0	0	0	111.8	E190 I192 C196 E197 R198	E190-D194 PolarHBondContact O-N 2.91Å; I192-D194 PolarHBondContact O-N 3.2Å; D194-C196 VanDerWaalsContact C-N 3.32Å; D194-C196 PolarHBondContact O-N 3.44Å; D194-E197 PolarHBondContact O-N 3.14Å; D194-R198 WeakPolarHBondContact O-CG 3.32Å; D194-R198 PolarHBondContact O-N 2.73Å; D194-R198 VanDerWaalsContact O-N 3.08Å; D194-R198 IonicContact OD2-CZ 3.39Å; D194-R198 IonicContact OD2-NH1 3.79Å; D194-R198 IonicContact OD2-NH2 2.68Å; D194-R198 PolarHBondContact OD2-NH2 3.15Å
195	F	98.3	Very high	97.4	Very high	32 Å²	32	45.2 Å²	45.2	14%	0.14	22%	0.223	C	C	.	.	H	α-helix	trans	-76.4	-17.5	-177.8	-83.5	-93.1	0	0	0	113.6	F152 L173 M191 I192 E197 R199 F200	F152-F195 AromaticContact CE1-CD2 3.55Å; F152-F195 HydrophobicContact CE1-CD2 3.55Å; F152-F195 AromaticContact CE1-CE2 3.82Å; F152-F195 HydrophobicContact CE1-CE2 3.82Å; F152-F195 HydrophobicContact CE1-CG 4.05Å; F152-F195 HydrophobicContact CZ-CB 4.15Å; F152-F195 HydrophobicContact CZ-CD2 4.03Å; F152-F195 HydrophobicContact CZ-CG 4.08Å; L173-F195 HydrophobicContact CB-CE1 4.37Å; L173-F195 HydrophobicContact CB-CZ 4.19Å; L173-F195 HydrophobicContact CD1-CD1 3.75Å; L173-F195 HydrophobicContact CD1-CE1 3.79Å; L173-F195 HydrophobicContact CD1-CG 4.2Å; L173-F195 HydrophobicContact CD1-CZ 4.24Å; L173-F195 HydrophobicContact CD2-CD1 4.34Å; L173-F195 HydrophobicContact CD2-CE1 3.75Å; L173-F195 HydrophobicContact CD2-CZ 4.37Å; L173-F195 HydrophobicContact CG-CE1 4.18Å; L173-F195 HydrophobicContact CG-CZ 4.5Å; M191-F195 VanDerWaalsContact O-CD2 3.32Å; M191-F195 WeakPolarHBondContact O-CD2 3.45Å; M191-F195 PolarHBondContact O-N 2.88Å; M191-F195 VanDerWaalsContact O-N 3.11Å; I192-F195 PolarHBondContact O-N 3.44Å; F195-E197 VanDerWaalsContact C-N 3.33Å; F195-R199 HydrophobicContact CD1-CB 4.27Å; F195-R199 PolarHBondContact O-N 3.42Å; F195-F200 HydrophobicContact CB-CD2 4.1Å; F195-F200 HydrophobicContact CB-CE1 4Å; F195-F200 HydrophobicContact CB-CE2 3.46Å; F195-F200 VanDerWaalsContact CB-CE2 3.46Å; F195-F200 HydrophobicContact CB-CZ 3.42Å; F195-F200 VanDerWaalsContact CB-CZ 3.42Å; F195-F200 HydrophobicContact CG-CZ 4.37Å; F195-F200 WeakPolarHBondContact O-CD2 3.31Å; F195-F200 WeakPolarHBondContact O-CG 3.4Å; F195-F200 PolarHBondContact O-N 2.87Å
196	C	96.9	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-57.7	-47.8	165.4	-70.3	0	0	0	0	110.9	I192 S193 D194 F200 L201 V274 Q278	I192-C196 PolarHBondContact O-N 3.45Å; I192-C196 PolarHBondContact O-SG 2.96Å; S193-C196 WeakPolarHBondContact O-CB 3.44Å; S193-C196 PolarHBondContact O-N 3.1Å; D194-C196 VanDerWaalsContact C-N 3.32Å; D194-C196 PolarHBondContact O-N 3.44Å; C196-F200 HydrophobicContact CB-CD2 4.35Å; C196-L201 WeakPolarHBondContact O-CD1 3.39Å; C196-L201 VanDerWaalsContact O-CG 3.25Å; C196-L201 WeakPolarHBondContact O-CG 3.5Å; C196-L201 PolarHBondContact O-N 3.3Å; C196-V274 HydrophobicContact CB-CG1 4.16Å; C196-Q278 HydrophobicContact CB-CB 3.78Å; C196-Q278 HydrophobicContact CB-CG 3.76Å
197	E	92.7	Very high	97.6	Very high	119 Å²	119	44.9 Å²	44.9	56%	0.556	22%	0.217	S	C	*	.	I	π-helix	trans	-70.6	-44.9	178.6	-64.8	-179.1	-165.1	0	0	112.5	D194 F195 R199 R282	D194-E197 PolarHBondContact O-N 3.14Å; F195-E197 VanDerWaalsContact C-N 3.33Å; E197-R199 PolarHBondContact O-N 2.87Å; E197-R282 IonicContact OE1-CZ 3.7Å; E197-R282 IonicContact OE1-NE 3.99Å; E197-R282 IonicContact OE1-NH2 2.64Å; E197-R282 PolarHBondContact OE1-NH2 2.67Å
198	R	94.2	Very high	97.6	Very high	164 Å²	164	43.8 Å²	43.8	62%	0.619	21%	0.212	S	C	*	.	I	π-helix	trans	-74.7	-24.5	-173.6	-65.2	173.7	-168.7	171.4	12.2	114.1	D194	D194-R198 WeakPolarHBondContact O-CG 3.32Å; D194-R198 PolarHBondContact O-N 2.73Å; D194-R198 VanDerWaalsContact O-N 3.08Å; D194-R198 IonicContact OD2-CZ 3.39Å; D194-R198 IonicContact OD2-NH1 3.79Å; D194-R198 IonicContact OD2-NH2 2.68Å; D194-R198 PolarHBondContact OD2-NH2 3.15Å
199	R	95.5	Very high	97.6	Very high	61 Å²	61	43 Å²	43	23%	0.23	21%	0.21	C	C	.	.	I	π-helix	trans	-152.3	-57.3	-161.5	-169.9	164.7	-172.1	164.4	7.8	115.2	Y150 S171 F195 E197 L201 S202 E203	Y150-R199 HydrophobicContact CE1-CG 4.43Å; S171-R199 PolarHBondContact OG-NH1 3.31Å; S171-R199 PolarHBondContact OG-NH2 3.26Å; F195-R199 HydrophobicContact CD1-CB 4.27Å; F195-R199 PolarHBondContact O-N 3.42Å; E197-R199 PolarHBondContact O-N 2.87Å; R199-L201 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 2.9Å; R199-S202 PolarHBondContact O-N 2.99Å; R199-S202 PolarHBondContact O-OG 3.3Å; R199-E203 WeakPolarHBondContact CD-OE2 3.32Å; R199-E203 HydrophobicContact CG-CG 4.33Å; R199-E203 WeakPolarHBondContact CG-OE2 3.44Å; R199-E203 IonicContact CZ-OE1 3.46Å; R199-E203 VanDerWaalsContact CZ-OE1 3.3Å; R199-E203 IonicContact CZ-OE2 3.79Å; R199-E203 IonicContact NE-OE1 3.43Å; R199-E203 PolarHBondContact NE-OE1 2.84Å; R199-E203 IonicContact NE-OE2 2.64Å; R199-E203 PolarHBondContact NE-OE2 3.39Å; R199-E203 IonicContact NH2-OE1 3.5Å; R199-E203 PolarHBondContact NH2-OE1 3.24Å; R199-E203 IonicContact NH2-OE2 3.67Å; R199-E203 PolarHBondContact O-N 3.49Å
200	F	97.9	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-64.5	-36.8	-165.3	-51.3	-36.4	0	0	0	113	T119 Y150 F152 I192 F195 C196 S202 E203 V204 L207 V274	T119-F200 HydrophobicContact CG2-CE1 4.48Å; T119-F200 HydrophobicContact CG2-CE2 4Å; T119-F200 HydrophobicContact CG2-CZ 3.73Å; Y150-F200 HydrophobicContact CD1-CD1 4.31Å; Y150-F200 AromaticContact CD1-CE1 3.6Å; Y150-F200 HydrophobicContact CD1-CE1 3.6Å; Y150-F200 AromaticContact CD2-CD1 3.99Å; Y150-F200 HydrophobicContact CD2-CD1 3.99Å; Y150-F200 AromaticContact CD2-CE1 3.49Å; Y150-F200 HydrophobicContact CD2-CE1 3.49Å; Y150-F200 VanDerWaalsContact CD2-CE1 3.49Å; Y150-F200 HydrophobicContact CD2-CZ 4.18Å; Y150-F200 AromaticContact CE1-CD1 3.91Å; Y150-F200 HydrophobicContact CE1-CD1 3.91Å; Y150-F200 AromaticContact CE1-CE1 3.67Å; Y150-F200 HydrophobicContact CE1-CE1 3.67Å; Y150-F200 AromaticContact CE2-CD1 3.57Å; Y150-F200 HydrophobicContact CE2-CD1 3.57Å; Y150-F200 AromaticContact CE2-CE1 3.57Å; Y150-F200 HydrophobicContact CE2-CE1 3.57Å; Y150-F200 HydrophobicContact CG-CD1 4.32Å; Y150-F200 AromaticContact CG-CE1 3.48Å; Y150-F200 HydrophobicContact CG-CE1 3.48Å; Y150-F200 VanDerWaalsContact CG-CE1 3.48Å; Y150-F200 HydrophobicContact CG-CZ 4.15Å; Y150-F200 AromaticContact CZ-CD1 3.51Å; Y150-F200 AromaticContact CZ-CE1 3.65Å; F152-F200 HydrophobicContact CE2-CZ 4.12Å; F152-F200 AromaticContact CZ-CZ 3.86Å; F152-F200 HydrophobicContact CZ-CZ 3.86Å; I192-F200 HydrophobicContact CG2-CE2 4.32Å; F195-F200 HydrophobicContact CB-CD2 4.1Å; F195-F200 HydrophobicContact CB-CE1 4Å; F195-F200 HydrophobicContact CB-CE2 3.46Å; F195-F200 VanDerWaalsContact CB-CE2 3.46Å; F195-F200 HydrophobicContact CB-CZ 3.42Å; F195-F200 VanDerWaalsContact CB-CZ 3.42Å; F195-F200 HydrophobicContact CG-CZ 4.37Å; F195-F200 WeakPolarHBondContact O-CD2 3.31Å; F195-F200 WeakPolarHBondContact O-CG 3.4Å; F195-F200 PolarHBondContact O-N 2.87Å; C196-F200 HydrophobicContact CB-CD2 4.35Å; F200-S202 PolarHBondContact O-N 3.46Å; F200-E203 PolarHBondContact O-N 2.72Å; F200-E203 VanDerWaalsContact O-N 3.08Å; F200-V204 HydrophobicContact CB-CG2 4.13Å; F200-V204 PolarHBondContact O-N 2.71Å; F200-L207 HydrophobicContact CB-CD1 3.98Å; F200-L207 HydrophobicContact CB-CD2 4.27Å; F200-L207 HydrophobicContact CB-CG 4.43Å; F200-L207 HydrophobicContact CD1-CD2 4.34Å; F200-L207 HydrophobicContact CD2-CD1 3.45Å; F200-L207 VanDerWaalsContact CD2-CD1 3.45Å; F200-L207 HydrophobicContact CD2-CD2 3.93Å; F200-L207 HydrophobicContact CD2-CG 4.31Å; F200-L207 HydrophobicContact CE2-CD1 4.16Å; F200-L207 HydrophobicContact CE2-CD2 4.28Å; F200-L207 HydrophobicContact CG-CD1 3.97Å; F200-L207 HydrophobicContact CG-CD2 3.95Å; F200-L207 HydrophobicContact CG-CG 4.47Å; F200-V274 HydrophobicContact CB-CG1 3.88Å; F200-V274 HydrophobicContact CB-CG2 4.3Å
201	L	96.4	Very high	97.6	Very high	101 Å²	101	42.8 Å²	42.8	53%	0.529	21%	0.21	S	C	.	.	H	α-helix	trans	-58.1	-21.2	176.7	-78.2	169.9	0	0	0	114.1	C196 R199 V274	C196-L201 WeakPolarHBondContact O-CD1 3.39Å; C196-L201 VanDerWaalsContact O-CG 3.25Å; C196-L201 WeakPolarHBondContact O-CG 3.5Å; C196-L201 PolarHBondContact O-N 3.3Å; R199-L201 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 2.9Å; L201-V274 HydrophobicContact CB-CG1 4.45Å; L201-V274 HydrophobicContact CD2-CB 4.02Å; L201-V274 HydrophobicContact CD2-CG1 3.62Å; L201-V274 HydrophobicContact CG-CG1 3.7Å
202	S	97.2	Very high	97.6	Very high	103 Å²	103	41.9 Å²	41.9	72%	0.72	21%	0.206	S	C	*	.	H	α-helix	trans	-103.2	-9.5	178.4	55.3	0	0	0	0	114.8	R199 F200	R199-S202 PolarHBondContact O-N 2.99Å; R199-S202 PolarHBondContact O-OG 3.3Å; F200-S202 PolarHBondContact O-N 3.46Å
203	E	98.4	Very high	97.6	Very high	59 Å²	59	42.4 Å²	42.4	28%	0.276	21%	0.209	S	C	.	.	H	α-helix	trans	-118	-29.9	-171.4	-72.3	-172.9	156.1	0	0	114.2	H148 Y150 R199 F200	H148-E203 VanDerWaalsContact CE1-CD 3.47Å; H148-E203 IonicContact CE1-OE1 3.35Å; H148-E203 IonicContact CE1-OE2 3.64Å; H148-E203 PolarHBondContact CE1-OE2 3.43Å; H148-E203 IonicContact ND1-OE2 3.71Å; H148-E203 PolarHBondContact ND1-OE2 3.09Å; H148-E203 IonicContact NE2-OE2 2.72Å; Y150-E203 VanDerWaalsContact CE1-OE2 3.24Å; Y150-E203 WeakPolarHBondContact CE1-OE2 3.41Å; Y150-E203 VanDerWaalsContact CZ-OE2 3.31Å; Y150-E203 WeakPolarHBondContact OH-CB 3.2Å; Y150-E203 PolarHBondContact OH-OE2 3.06Å; R199-E203 WeakPolarHBondContact CD-OE2 3.32Å; R199-E203 HydrophobicContact CG-CG 4.33Å; R199-E203 WeakPolarHBondContact CG-OE2 3.44Å; R199-E203 IonicContact CZ-OE1 3.46Å; R199-E203 VanDerWaalsContact CZ-OE1 3.3Å; R199-E203 IonicContact CZ-OE2 3.79Å; R199-E203 IonicContact NE-OE1 3.43Å; R199-E203 PolarHBondContact NE-OE1 2.84Å; R199-E203 IonicContact NE-OE2 2.64Å; R199-E203 PolarHBondContact NE-OE2 3.39Å; R199-E203 IonicContact NH2-OE1 3.5Å; R199-E203 PolarHBondContact NH2-OE1 3.24Å; R199-E203 IonicContact NH2-OE2 3.67Å; R199-E203 PolarHBondContact O-N 3.49Å; F200-E203 PolarHBondContact O-N 2.72Å; F200-E203 VanDerWaalsContact O-N 3.08Å
204	V	98.7	Very high	97.6	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	21%	0.208	C	C	.	.			trans	-140.9	152.1	-172.5	-53.7	0	0	0	0	112.6	T115 H148 Y150 F200 L207 V274	T115-V204 HydrophobicContact CG2-CB 4.44Å; T115-V204 HydrophobicContact CG2-CG1 3.95Å; H148-V204 HydrophobicContact CB-CG1 3.91Å; Y150-V204 HydrophobicContact CE2-CG1 4.16Å; Y150-V204 WeakPolarHBondContact OH-CG1 3.3Å; F200-V204 HydrophobicContact CB-CG2 4.13Å; F200-V204 PolarHBondContact O-N 2.71Å; V204-L207 HydrophobicContact CG2-CD2 3.97Å; V204-L207 HydrophobicContact CG2-CG 4.17Å; V204-V274 HydrophobicContact CG2-CG2 3.79Å; V204-V274 WeakPolarHBondContact O-CG2 3.28Å
205	D	98.6	Very high	97.7	Very high	79 Å²	79	41.2 Å²	41.2	42%	0.422	20%	0.201	S	C	.	.	S	Bend	trans	-85.8	-39.2	177.3	-53.8	-70.4	0	0	0	111.4	T114 T115 S273 V274	T114-D205 WeakPolarHBondContact CA-OD2 3.25Å; T114-D205 HydrophobicContact CG2-CB 4.21Å; T115-D205 PolarHBondContact N-OD2 3.1Å; T115-D205 PolarHBondContact O-N 3.46Å; D205-S273 WeakPolarHBondContact O-CA 3.5Å; D205-V274 PolarHBondContact O-N 2.82Å
206	Y	98.9	Very high	97.7	Very high	39 Å²	39	39.8 Å²	39.8	15%	0.153	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.7	-178	-63.9	-89.8	0	0	0	111.3	F109 T114 T115 G117 L225 T226 G272	F109-Y206 HydrophobicContact CD1-CE2 4.45Å; F109-Y206 AromaticContact CE1-CE2 3.95Å; F109-Y206 HydrophobicContact CE1-CE2 3.95Å; T114-Y206 HydrophobicContact CG2-CD2 3.63Å; T114-Y206 HydrophobicContact CG2-CE2 3.86Å; T115-Y206 PolarHBondContact O-N 3.4Å; G117-Y206 PolarHBondContact N-O 2.87Å; Y206-L225 HydrophobicContact CD1-CB 4.26Å; Y206-L225 HydrophobicContact CD1-CD2 4.27Å; Y206-L225 HydrophobicContact CD2-CD1 4.09Å; Y206-L225 HydrophobicContact CD2-CD2 4.4Å; Y206-L225 HydrophobicContact CE1-CB 4.32Å; Y206-L225 HydrophobicContact CG-CB 4.38Å; Y206-L225 HydrophobicContact CG-CD1 4.41Å; Y206-L225 HydrophobicContact CG-CD2 3.9Å; Y206-L225 HydrophobicContact CG-CG 4.45Å; Y206-T226 WeakPolarHBondContact CE1-O 3.49Å; Y206-G272 CarbonylContact C-O 3.16Å; Y206-G272 VanDerWaalsContact CA-O 3.25Å; Y206-G272 WeakPolarHBondContact CA-O 3.36Å; Y206-G272 WeakPolarHBondContact CB-O 3.36Å
207	L	98.9	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.9	171.1	-77.9	169.6	0	0	0	110.2	G117 T119 Y150 F200 V204 G271 G272 V274 V277	G117-L207 CarbonylContact O-C 3.54Å; G117-L207 WeakPolarHBondContact O-CA 3.3Å; T119-L207 HydrophobicContact CG2-CD2 3.92Å; Y150-L207 HydrophobicContact CE2-CD2 4.46Å; F200-L207 HydrophobicContact CB-CD1 3.98Å; F200-L207 HydrophobicContact CB-CD2 4.27Å; F200-L207 HydrophobicContact CB-CG 4.43Å; F200-L207 HydrophobicContact CD1-CD2 4.34Å; F200-L207 HydrophobicContact CD2-CD1 3.45Å; F200-L207 VanDerWaalsContact CD2-CD1 3.45Å; F200-L207 HydrophobicContact CD2-CD2 3.93Å; F200-L207 HydrophobicContact CD2-CG 4.31Å; F200-L207 HydrophobicContact CE2-CD1 4.16Å; F200-L207 HydrophobicContact CE2-CD2 4.28Å; F200-L207 HydrophobicContact CG-CD1 3.97Å; F200-L207 HydrophobicContact CG-CD2 3.95Å; F200-L207 HydrophobicContact CG-CG 4.47Å; V204-L207 HydrophobicContact CG2-CD2 3.97Å; V204-L207 HydrophobicContact CG2-CG 4.17Å; L207-G271 CarbonylContact O-C 3.56Å; L207-G271 WeakPolarHBondContact O-CA 3.36Å; L207-G272 PolarHBondContact N-O 2.81Å; L207-G272 PolarHBondContact O-N 2.83Å; L207-V274 HydrophobicContact CD1-CB 4.41Å; L207-V274 HydrophobicContact CD1-CG1 4.1Å; L207-V274 HydrophobicContact CD1-CG2 4.19Å; L207-V274 HydrophobicContact CG-CG2 4.13Å; L207-V277 HydrophobicContact CB-CB 4.23Å; L207-V277 HydrophobicContact CB-CG1 4.11Å; L207-V277 HydrophobicContact CB-CG2 4Å; L207-V277 HydrophobicContact CD1-CB 4.17Å; L207-V277 HydrophobicContact CD1-CG1 3.86Å
208	V	98.9	Very high	98.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.7	169.9	-177.4	0	0	0	0	106.7	I116 G117 L118 T119 F141 V210 I224 L225 F229 F269	I116-V208 HydrophobicContact CG2-CG2 3.81Å; G117-V208 PolarHBondContact O-N 3.29Å; L118-V208 WeakPolarHBondContact CA-O 3.48Å; L118-V208 HydrophobicContact CD1-CB 3.78Å; L118-V208 HydrophobicContact CD1-CG1 3.68Å; T119-V208 PolarHBondContact N-O 3.07Å; F141-V208 HydrophobicContact CE2-CB 4.32Å; F141-V208 HydrophobicContact CE2-CG1 4.16Å; F141-V208 HydrophobicContact CE2-CG2 4.19Å; F141-V208 HydrophobicContact CZ-CB 4.13Å; F141-V208 HydrophobicContact CZ-CG1 4.45Å; F141-V208 HydrophobicContact CZ-CG2 4Å; V208-V210 HydrophobicContact CG1-CG1 3.99Å; V208-I224 HydrophobicContact CG1-CD1 4.35Å; V208-I224 HydrophobicContact CG2-CD1 4.01Å; V208-L225 HydrophobicContact CG2-CD2 4.47Å; V208-F229 HydrophobicContact CG1-CZ 4.26Å; V208-F229 HydrophobicContact CG2-CZ 4.15Å; V208-F269 HydrophobicContact CG1-CE1 4Å; V208-F269 HydrophobicContact CG1-CZ 3.98Å
209	C	98.8	Very high	98.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.4	-172	-59.5	0	0	0	0	109.3	T119 I192 F269 F270	T119-C209 WeakPolarHBondContact OG1-CA 3.46Å; T119-C209 PolarHBondContact OG1-SG 2.75Å; I192-C209 HydrophobicContact CD1-CB 4.21Å; C209-F269 WeakPolarHBondContact O-CA 3.39Å; C209-F270 HydrophobicContact CB-CD1 4.21Å; C209-F270 HydrophobicContact CB-CD2 4Å; C209-F270 HydrophobicContact CB-CE1 3.83Å; C209-F270 HydrophobicContact CB-CE2 3.59Å; C209-F270 HydrophobicContact CB-CG 4.29Å; C209-F270 HydrophobicContact CB-CZ 3.5Å; C209-F270 PolarHBondContact N-O 2.83Å; C209-F270 PolarHBondContact O-N 3.22Å; C209-F270 VanDerWaalsContact O-N 3.08Å
210	V	98.8	Very high	98.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159	-170	-60.2	0	0	0	0	114.3	L118 T119 F133 V208 G268 F269 F341	L118-V210 HydrophobicContact CD1-CG1 4.29Å; L118-V210 HydrophobicContact CD1-CG2 3.75Å; L118-V210 HydrophobicContact CG-CG2 4.36Å; T119-V210 PolarHBondContact O-N 3.04Å; F133-V210 HydrophobicContact CE2-CG2 3.61Å; F133-V210 HydrophobicContact CZ-CG2 3.5Å; F133-V210 VanDerWaalsContact CZ-CG2 3.5Å; V208-V210 HydrophobicContact CG1-CG1 3.99Å; V210-G268 VanDerWaalsContact CA-O 3.22Å; V210-G268 WeakPolarHBondContact CA-O 3.45Å; V210-F269 HydrophobicContact CG1-CB 4.41Å; V210-F269 HydrophobicContact CG1-CD1 4.43Å; V210-F269 HydrophobicContact CG1-CD2 3.5Å; V210-F269 HydrophobicContact CG1-CE2 3.75Å; V210-F269 HydrophobicContact CG1-CG 3.88Å; V210-F269 HydrophobicContact CG1-CZ 4.31Å; V210-F341 HydrophobicContact CB-CE1 4.19Å; V210-F341 HydrophobicContact CB-CZ 3.99Å; V210-F341 HydrophobicContact CG1-CE1 4.32Å; V210-F341 HydrophobicContact CG1-CZ 4.38Å; V210-F341 HydrophobicContact CG2-CZ 4.23Å
211	D	98.3	Very high	98.5	Very high	41 Å²	41	33 Å²	33	22%	0.219	17%	0.169	C	C	.	.			trans	-72.4	148	168.3	-73.1	-11.8	0	0	0	111.7	F133 R188 M214 G268	F133-D211 WeakPolarHBondContact CE2-O 3.35Å; R188-D211 IonicContact CZ-OD1 3.73Å; R188-D211 IonicContact NH1-OD1 3.65Å; R188-D211 PolarHBondContact NH1-OD1 3.02Å; R188-D211 IonicContact NH2-OD1 2.76Å; D211-M214 HydrophobicContact CB-CG 3.89Å; D211-M214 WeakPolarHBondContact O-CG 3.15Å; D211-G268 PolarHBondContact N-O 3.44Å; D211-G268 VanDerWaalsContact N-O 3.1Å; D211-G268 WeakPolarHBondContact OD1-CA 3.4Å; D211-G268 WeakPolarHBondContact OD2-CA 3.48Å
212	V	98.5	Very high	98.6	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.144	C	C	.	.	S	Bend	trans	-87.2	-26.3	-175.9	72.4	0	0	0	0	113.2	V120 F121 A122 Y126 F129 L130 F133 M214	V120-V212 HydrophobicContact CG2-CB 3.39Å; V120-V212 HydrophobicContact CG2-CG2 3.5Å; F121-V212 WeakPolarHBondContact O-CG1 3.34Å; A122-V212 HydrophobicContact CB-CG2 4.32Å; Y126-V212 HydrophobicContact CD1-CG1 3.75Å; Y126-V212 HydrophobicContact CG-CG1 4.36Å; F129-V212 HydrophobicContact CB-CG1 4.32Å; F129-V212 HydrophobicContact CB-CG2 4.11Å; F129-V212 VanDerWaalsContact CB-O 3.31Å; F129-V212 WeakPolarHBondContact CB-O 3.47Å; F129-V212 HydrophobicContact CD2-CG1 4.25Å; L130-V212 HydrophobicContact CD2-CG2 3.78Å; L130-V212 HydrophobicContact CG-CG2 4.16Å; F133-V212 HydrophobicContact CB-CG2 4.43Å; F133-V212 HydrophobicContact CG-CG2 4.38Å; V212-M214 PolarHBondContact O-N 3.17Å
213	D	98.2	Very high	98.7	Very high	14 Å²	14	23.4 Å²	23.4	8%	0.075	11%	0.11	C	C	.	.	S	Bend	trans	-81.2	46.5	-175.8	48.6	-53.8	0	0	0	112.4	Y126 F129 V344 K346	Y126-D213 HydrophobicContact CD1-CB 4.23Å; Y126-D213 HydrophobicContact CE1-CB 4.07Å; F129-D213 HydrophobicContact CD1-CB 4.06Å; F129-D213 HydrophobicContact CD2-CB 3.72Å; F129-D213 HydrophobicContact CE1-CB 4.03Å; F129-D213 HydrophobicContact CE2-CB 3.69Å; F129-D213 HydrophobicContact CG-CB 3.92Å; F129-D213 HydrophobicContact CZ-CB 3.86Å; D213-V344 PolarHBondContact O-N 2.69Å; D213-K346 HydrophobicContact CB-CD 4.1Å; D213-K346 VanDerWaalsContact OD2-CD 3.26Å; D213-K346 WeakPolarHBondContact OD2-CD 3.35Å; D213-K346 WeakPolarHBondContact OD2-CE 3.25Å; D213-K346 IonicContact OD2-NZ 3.2Å; D213-K346 PolarHBondContact OD2-NZ 2.86Å
214	M	98.6	Very high	98.7	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.034	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158	-166.1	-54.2	-64.1	-65.5	0	0	109.4	D211 V212 L324 F341 T342 A343	D211-M214 HydrophobicContact CB-CG 3.89Å; D211-M214 WeakPolarHBondContact O-CG 3.15Å; V212-M214 PolarHBondContact O-N 3.17Å; M214-L324 HydrophobicContact CE-CD1 3.98Å; M214-L324 HydrophobicContact CE-CD2 3.8Å; M214-L324 HydrophobicContact CE-CG 3.55Å; M214-F341 HydrophobicContact CB-CD1 4.42Å; M214-F341 HydrophobicContact CB-CD2 4.17Å; M214-F341 HydrophobicContact CB-CE1 3.72Å; M214-F341 HydrophobicContact CB-CE2 3.41Å; M214-F341 VanDerWaalsContact CB-CE2 3.41Å; M214-F341 HydrophobicContact CB-CZ 3.16Å; M214-F341 HydrophobicContact CE-CD1 3.7Å; M214-F341 HydrophobicContact CE-CE1 3.64Å; M214-F341 HydrophobicContact CE-CG 4.42Å; M214-F341 HydrophobicContact CE-CZ 4.31Å; M214-F341 HydrophobicContact CG-CE1 3.72Å; M214-F341 HydrophobicContact CG-CE2 4.31Å; M214-F341 HydrophobicContact CG-CZ 3.56Å; M214-T342 CarbonylContact C-O 3.54Å; M214-T342 VanDerWaalsContact CA-O 3.3Å; M214-T342 WeakPolarHBondContact CA-O 3.45Å; M214-A343 HydrophobicContact CE-CB 4.4Å; M214-A343 VanDerWaalsContact SD-CA 3.58Å; M214-A343 HydrophobicContact SD-CB 4.07Å
215	E	98.7	Very high	98.7	Very high	31 Å²	31	20.2 Å²	20.2	15%	0.145	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.8	173.3	66.1	176.7	161.3	0	0	111.1	L132 T136 R217 F341 T342 V344	L132-E215 HydrophobicContact CD2-CB 4.06Å; L132-E215 HydrophobicContact CG-CB 3.95Å; T136-E215 HydrophobicContact CG2-CB 4.28Å; E215-R217 HydrophobicContact CG-CG 4.16Å; E215-R217 IonicContact OE1-CZ 3.85Å; E215-R217 IonicContact OE1-NE 3.97Å; E215-R217 PolarHBondContact OE1-NE 2.86Å; E215-R217 IonicContact OE1-NH2 3.78Å; E215-R217 PolarHBondContact OE1-NH2 3.46Å; E215-F341 CarbonylContact O-C 3.52Å; E215-F341 WeakPolarHBondContact O-CA 3.41Å; E215-T342 WeakPolarHBondContact CG-OG1 3.42Å; E215-T342 PolarHBondContact N-O 2.95Å; E215-T342 PolarHBondContact O-N 3.41Å; E215-V344 HydrophobicContact CB-CG2 4.13Å; E215-V344 HydrophobicContact CG-CG2 4.25Å
216	F	98.8	Very high	98.7	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.013	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137	171.5	-58.7	-100.3	0	0	0	110.2	L118 F133 T136 A137 H140 F141 V220 R340 F341	L118-F216 HydrophobicContact CD2-CZ 4.25Å; F133-F216 HydrophobicContact CD2-CE2 4.3Å; F133-F216 AromaticContact CE2-CE2 3.94Å; F133-F216 HydrophobicContact CE2-CE2 3.94Å; F133-F216 HydrophobicContact CE2-CZ 4.46Å; F133-F216 HydrophobicContact CZ-CE2 4.1Å; F133-F216 HydrophobicContact CZ-CZ 4.5Å; T136-F216 WeakPolarHBondContact CB-O 3.47Å; T136-F216 WeakPolarHBondContact CG2-O 3.36Å; T136-F216 PolarHBondContact OG1-N 2.72Å; A137-F216 HydrophobicContact CB-CD2 3.8Å; A137-F216 HydrophobicContact CB-CE2 3.63Å; A137-F216 HydrophobicContact CB-CZ 4.38Å; H140-F216 HydrophobicContact CB-CB 3.7Å; H140-F216 HydrophobicContact CB-CG 4.46Å; H140-F216 PolarHBondContact CD2-O 3.4Å; F141-F216 HydrophobicContact CB-CD1 4.38Å; F141-F216 HydrophobicContact CB-CE1 4.07Å; F141-F216 HydrophobicContact CB-CZ 4.29Å; F141-F216 AromaticContact CD2-CE1 3.94Å; F141-F216 HydrophobicContact CD2-CE1 3.94Å; F141-F216 HydrophobicContact CD2-CZ 4.24Å; F141-F216 HydrophobicContact CG-CE1 4.36Å; F141-F216 HydrophobicContact CG-CZ 4.44Å; F216-V220 HydrophobicContact CD1-CB 4.22Å; F216-V220 HydrophobicContact CD1-CG2 3.89Å; F216-V220 HydrophobicContact CE1-CB 4.25Å; F216-V220 HydrophobicContact CE1-CG1 4.44Å; F216-V220 HydrophobicContact CE1-CG2 4.18Å; F216-R340 CarbonylContact C-O 3.57Å; F216-R340 WeakPolarHBondContact CA-O 3.47Å; F216-F341 HydrophobicContact CD1-CB 4.36Å; F216-F341 AromaticContact CD1-CD2 3.64Å; F216-F341 HydrophobicContact CD1-CD2 3.64Å; F216-F341 HydrophobicContact CD1-CE2 4.32Å; F216-F341 HydrophobicContact CD1-CG 4.37Å; F216-F341 AromaticContact CD2-CD2 3.85Å; F216-F341 HydrophobicContact CD2-CD2 3.85Å; F216-F341 AromaticContact CD2-CE2 3.91Å; F216-F341 HydrophobicContact CD2-CE2 3.91Å; F216-F341 AromaticContact CE1-CD2 3.62Å; F216-F341 HydrophobicContact CE1-CD2 3.62Å; F216-F341 AromaticContact CE1-CE2 3.97Å; F216-F341 HydrophobicContact CE1-CE2 3.97Å; F216-F341 HydrophobicContact CE1-CG 4.31Å; F216-F341 AromaticContact CE2-CD2 3.83Å; F216-F341 HydrophobicContact CE2-CD2 3.83Å; F216-F341 AromaticContact CE2-CE2 3.52Å; F216-F341 HydrophobicContact CE2-CE2 3.52Å; F216-F341 AromaticContact CG-CD2 3.75Å; F216-F341 HydrophobicContact CG-CD2 3.75Å; F216-F341 HydrophobicContact CG-CE2 4.29Å; F216-F341 AromaticContact CZ-CD2 3.72Å; F216-F341 HydrophobicContact CZ-CD2 3.72Å; F216-F341 AromaticContact CZ-CE2 3.56Å; F216-F341 HydrophobicContact CZ-CE2 3.56Å; F216-F341 HydrophobicContact CZ-CZ 4.41Å
217	R	98.7	Very high	98.7	Very high	107 Å²	107	18.3 Å²	18.3	40%	0.404	9%	0.091	S	C	.	.			trans	-128.8	-16.6	-178.4	-67.8	-172.2	176.5	-179.5	7.2	114.2	E215 L339 R340 T342	E215-R217 HydrophobicContact CG-CG 4.16Å; E215-R217 IonicContact OE1-CZ 3.85Å; E215-R217 IonicContact OE1-NE 3.97Å; E215-R217 PolarHBondContact OE1-NE 2.86Å; E215-R217 IonicContact OE1-NH2 3.78Å; E215-R217 PolarHBondContact OE1-NH2 3.46Å; R217-L339 WeakPolarHBondContact CB-O 3.39Å; R217-R340 PolarHBondContact N-O 3.08Å; R217-T342 VanDerWaalsContact CD-OG1 3.31Å; R217-T342 WeakPolarHBondContact CD-OG1 3.4Å; R217-T342 PolarHBondContact NE-OG1 2.71Å; R217-T342 VanDerWaalsContact NE-OG1 3.12Å
218	D	98.8	Very high	98.7	Very high	44 Å²	44	18.5 Å²	18.5	24%	0.235	9%	0.092	C	C	.	.	S	Bend	trans	-150.9	169.6	174.4	-155.7	-31.7	0	0	0	108.8	V220 K338 R340	D218-V220 PolarHBondContact O-N 3.06Å; D218-K338 IonicContact OD1-NZ 2.71Å; D218-K338 PolarHBondContact OD1-NZ 3.01Å; D218-K338 WeakPolarHBondContact OD2-CD 3.43Å; D218-K338 VanDerWaalsContact OD2-CE 3.25Å; D218-K338 WeakPolarHBondContact OD2-CE 3.19Å; D218-K338 VanDerWaalsContact OD2-CG 3.27Å; D218-K338 WeakPolarHBondContact OD2-CG 3.4Å; D218-K338 IonicContact OD2-NZ 2.72Å; D218-K338 PolarHBondContact OD2-NZ 2.71Å; D218-R340 HydrophobicContact CB-CB 4.4Å; D218-R340 HydrophobicContact CB-CG 4.27Å; D218-R340 PolarHBondContact N-O 3.5Å
219	H	98.8	Very high	98.7	Very high	48 Å²	48	18.5 Å²	18.5	22%	0.222	9%	0.092	C	C	.	.			trans	-46.1	123.6	-177.5	175.5	88	0	0	0	114.1	I102 G221 E223 R340	I102-H219 WeakPolarHBondContact CD1-NE2 3.38Å; H219-G221 WeakPolarHBondContact NE2-CA 3.47Å; H219-G221 PolarHBondContact NE2-N 3.25Å; H219-E223 IonicContact CD2-OE1 2.95Å; H219-E223 PolarHBondContact CD2-OE1 3.24Å; H219-E223 IonicContact CD2-OE2 2.76Å; H219-E223 IonicContact CE1-OE2 3.5Å; H219-E223 IonicContact NE2-OE1 2.71Å; H219-E223 PolarHBondContact NE2-OE1 2.69Å; H219-E223 IonicContact NE2-OE2 2.71Å; H219-E223 PolarHBondContact NE2-OE2 2.82Å; H219-R340 WeakPolarHBondContact O-CD 3.43Å; H219-R340 PolarHBondContact O-NH1 2.83Å
220	V	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-126	99.2	165.4	178.2	0	0	0	0	107.4	H140 F141 M142 F216 D218 I224 F269 Y323 R340	H140-V220 PolarHBondContact O-N 2.63Å; F141-V220 WeakPolarHBondContact CA-O 3.2Å; F141-V220 HydrophobicContact CD2-CB 4.4Å; F141-V220 HydrophobicContact CD2-CG1 4.01Å; F141-V220 HydrophobicContact CE2-CG1 4.38Å; M142-V220 PolarHBondContact N-O 2.97Å; F216-V220 HydrophobicContact CD1-CB 4.22Å; F216-V220 HydrophobicContact CD1-CG2 3.89Å; F216-V220 HydrophobicContact CE1-CB 4.25Å; F216-V220 HydrophobicContact CE1-CG1 4.44Å; F216-V220 HydrophobicContact CE1-CG2 4.18Å; D218-V220 PolarHBondContact O-N 3.06Å; V220-I224 HydrophobicContact CG1-CD1 3.94Å; V220-I224 HydrophobicContact CG1-CG2 4.46Å; V220-F269 HydrophobicContact CG1-CZ 4.05Å; V220-Y323 HydrophobicContact CG1-CD1 4.14Å; V220-Y323 HydrophobicContact CG1-CE1 4.24Å; V220-Y323 HydrophobicContact CG2-CD1 4.15Å; V220-Y323 HydrophobicContact CG2-CE1 4.33Å; V220-R340 HydrophobicContact CG2-CB 3.63Å
221	G	98.8	Very high	98.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.091	C	C	.	.			trans	-126.7	-158.1	-171.6	0	0	0	0	0	114.1	M142 H219 E223 I224	M142-G221 VanDerWaalsContact CE-C 3.5Å; M142-G221 WeakPolarHBondContact CE-O 3.47Å; H219-G221 WeakPolarHBondContact NE2-CA 3.47Å; H219-G221 PolarHBondContact NE2-N 3.25Å; G221-E223 WeakPolarHBondContact CA-OE2 3.21Å; G221-E223 PolarHBondContact N-OE1 2.84Å; G221-E223 PolarHBondContact N-OE2 3.08Å; G221-E223 PolarHBondContact O-N 2.92Å; G221-I224 WeakPolarHBondContact O-CG1 3.35Å; G221-I224 PolarHBondContact O-N 3.23Å
222	V	98.7	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-66	-9.4	-172.3	-62.7	0	0	0	0	114.3	I102 L105 F109 M142 H145 I224 L225	I102-V222 HydrophobicContact CD1-CG2 4.3Å; L105-V222 HydrophobicContact CB-CG2 3.9Å; F109-V222 HydrophobicContact CB-CB 4.19Å; F109-V222 HydrophobicContact CB-CG1 3.99Å; F109-V222 HydrophobicContact CB-CG2 4.39Å; F109-V222 HydrophobicContact CD2-CB 3.61Å; F109-V222 HydrophobicContact CD2-CG1 4.33Å; F109-V222 HydrophobicContact CD2-CG2 3.79Å; F109-V222 HydrophobicContact CE2-CB 4.12Å; F109-V222 HydrophobicContact CE2-CG2 4.49Å; F109-V222 HydrophobicContact CG-CB 3.91Å; F109-V222 HydrophobicContact CG-CG1 4.13Å; F109-V222 HydrophobicContact CG-CG2 4.35Å; M142-V222 HydrophobicContact SD-CG1 3.82Å; H145-V222 VanDerWaalsContact CE1-CG1 3.43Å; H145-V222 WeakPolarHBondContact CE1-CG1 3.48Å; H145-V222 WeakPolarHBondContact NE2-CG1 3.3Å; V222-I224 PolarHBondContact O-N 3.2Å; V222-L225 HydrophobicContact CB-CD1 3.97Å; V222-L225 HydrophobicContact CB-CG 4.41Å; V222-L225 HydrophobicContact CG1-CD1 3.74Å; V222-L225 PolarHBondContact O-N 2.64Å; V222-L225 VanDerWaalsContact O-N 3.07Å
223	E	98.9	Very high	98.8	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-59.7	-24.1	170.7	74.8	-76.8	175.7	0	0	113.6	V95 F100 I102 L105 H219 G221 K317 Y323	V95-E223 HydrophobicContact CG1-CB 4.31Å; V95-E223 HydrophobicContact CG1-CG 3.76Å; F100-E223 HydrophobicContact CD1-CB 4.15Å; F100-E223 HydrophobicContact CD1-CG 4.18Å; F100-E223 HydrophobicContact CD2-CB 3.81Å; F100-E223 HydrophobicContact CD2-CG 4.17Å; F100-E223 HydrophobicContact CE1-CB 4.33Å; F100-E223 HydrophobicContact CE1-CG 3.86Å; F100-E223 HydrophobicContact CE2-CB 4Å; F100-E223 HydrophobicContact CE2-CG 3.84Å; F100-E223 HydrophobicContact CG-CB 3.9Å; F100-E223 HydrophobicContact CG-CG 4.34Å; F100-E223 HydrophobicContact CZ-CB 4.26Å; F100-E223 HydrophobicContact CZ-CG 3.69Å; I102-E223 WeakPolarHBondContact CD1-OE2 3.25Å; L105-E223 HydrophobicContact CD1-CB 3.61Å; H219-E223 IonicContact CD2-OE1 2.95Å; H219-E223 PolarHBondContact CD2-OE1 3.24Å; H219-E223 IonicContact CD2-OE2 2.76Å; H219-E223 IonicContact CE1-OE2 3.5Å; H219-E223 IonicContact NE2-OE1 2.71Å; H219-E223 PolarHBondContact NE2-OE1 2.69Å; H219-E223 IonicContact NE2-OE2 2.71Å; H219-E223 PolarHBondContact NE2-OE2 2.82Å; G221-E223 WeakPolarHBondContact CA-OE2 3.21Å; G221-E223 PolarHBondContact N-OE1 2.84Å; G221-E223 PolarHBondContact N-OE2 3.08Å; G221-E223 PolarHBondContact O-N 2.92Å; E223-K317 WeakPolarHBondContact O-CD 3.4Å; E223-K317 PolarHBondContact O-NZ 2.69Å; E223-Y323 WeakPolarHBondContact CG-OH 3.31Å; E223-Y323 WeakPolarHBondContact OE1-CE1 3.44Å; E223-Y323 PolarHBondContact OE1-OH 3.01Å
224	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	-80.4	-23.7	175.8	80.5	-175.4	0	0	0	112.7	M142 V208 V220 G221 V222 T226 F229 F269 L319 Y323	M142-I224 HydrophobicContact CE-CD1 3.56Å; M142-I224 HydrophobicContact CE-CG1 3.69Å; V208-I224 HydrophobicContact CG1-CD1 4.35Å; V208-I224 HydrophobicContact CG2-CD1 4.01Å; V220-I224 HydrophobicContact CG1-CD1 3.94Å; V220-I224 HydrophobicContact CG1-CG2 4.46Å; G221-I224 WeakPolarHBondContact O-CG1 3.35Å; G221-I224 PolarHBondContact O-N 3.23Å; V222-I224 PolarHBondContact O-N 3.2Å; I224-T226 PolarHBondContact O-N 3.23Å; I224-F229 HydrophobicContact CD1-CZ 4.2Å; I224-F229 HydrophobicContact CG1-CE1 4.34Å; I224-F229 HydrophobicContact CG1-CZ 4.38Å; I224-F229 WeakPolarHBondContact O-CD1 3.43Å; I224-F269 HydrophobicContact CD1-CE1 4.11Å; I224-F269 HydrophobicContact CD1-CZ 4.06Å; I224-L319 HydrophobicContact CB-CD1 3.86Å; I224-L319 HydrophobicContact CB-CD2 3.78Å; I224-L319 HydrophobicContact CB-CG 4.49Å; I224-L319 HydrophobicContact CG2-CD1 3.77Å; I224-L319 HydrophobicContact CG2-CD2 3.83Å; I224-L319 HydrophobicContact CG2-CG 4.48Å; I224-Y323 HydrophobicContact CG2-CD1 3.76Å; I224-Y323 HydrophobicContact CG2-CE1 3.34Å
225	L	98.9	Very high	98.8	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.108	C	C	.	.			trans	-70.8	131.8	-169.7	-60.1	-178.9	0	0	0	112	F109 T114 I116 M142 Y206 V208 V222 K317	F109-L225 HydrophobicContact CD1-CD1 3.95Å; F109-L225 HydrophobicContact CE1-CB 3.75Å; F109-L225 HydrophobicContact CE1-CD1 3.92Å; F109-L225 HydrophobicContact CZ-CB 3.71Å; F109-L225 HydrophobicContact CZ-CD1 4.46Å; T114-L225 HydrophobicContact CG2-CD1 4.16Å; I116-L225 HydrophobicContact CD1-CD1 4.22Å; I116-L225 HydrophobicContact CG1-CD1 3.75Å; I116-L225 HydrophobicContact CG1-CD2 4.18Å; I116-L225 HydrophobicContact CG2-CD2 4.31Å; M142-L225 HydrophobicContact CE-CD1 4.38Å; M142-L225 HydrophobicContact CE-CD2 3.74Å; M142-L225 HydrophobicContact CE-CG 3.96Å; M142-L225 HydrophobicContact SD-CD1 4.37Å; Y206-L225 HydrophobicContact CD1-CB 4.26Å; Y206-L225 HydrophobicContact CD1-CD2 4.27Å; Y206-L225 HydrophobicContact CD2-CD1 4.09Å; Y206-L225 HydrophobicContact CD2-CD2 4.4Å; Y206-L225 HydrophobicContact CE1-CB 4.32Å; Y206-L225 HydrophobicContact CG-CB 4.38Å; Y206-L225 HydrophobicContact CG-CD1 4.41Å; Y206-L225 HydrophobicContact CG-CD2 3.9Å; Y206-L225 HydrophobicContact CG-CG 4.45Å; V208-L225 HydrophobicContact CG2-CD2 4.47Å; V222-L225 HydrophobicContact CB-CD1 3.97Å; V222-L225 HydrophobicContact CB-CG 4.41Å; V222-L225 HydrophobicContact CG1-CD1 3.74Å; V222-L225 PolarHBondContact O-N 2.64Å; V222-L225 VanDerWaalsContact O-N 3.07Å; L225-K317 WeakPolarHBondContact O-CE 3.21Å; L225-K317 PolarHBondContact O-NZ 3.35Å
226	T	98.9	Very high	98.7	Very high	14 Å²	14	20.3 Å²	20.3	9%	0.086	11%	0.109	C	C	.	.	S	Bend	trans	-171.6	166.7	-174.3	-166.2	0	0	0	0	108.2	Y206 I224 L228 F229 G272 S273 T316 K317	Y206-T226 WeakPolarHBondContact CE1-O 3.49Å; I224-T226 PolarHBondContact O-N 3.23Å; T226-L228 VanDerWaalsContact C-N 3.33Å; T226-L228 VanDerWaalsContact CG2-O 3.3Å; T226-L228 WeakPolarHBondContact CG2-O 3.36Å; T226-L228 PolarHBondContact O-N 2.74Å; T226-F229 HydrophobicContact CG2-CB 3.78Å; T226-F229 HydrophobicContact CG2-CD1 4Å; T226-F229 HydrophobicContact CG2-CG 4.39Å; T226-G272 CarbonylContact O-C 3.45Å; T226-G272 WeakPolarHBondContact O-CA 3.5Å; T226-S273 PolarHBondContact O-N 3.43Å; T226-T316 WeakPolarHBondContact CG2-OG1 3.35Å; T226-T316 WeakPolarHBondContact OG1-CB 3.35Å; T226-T316 PolarHBondContact OG1-OG1 3.38Å; T226-K317 HydrophobicContact CG2-CB 3.74Å; T226-K317 HydrophobicContact CG2-CD 4.04Å; T226-K317 HydrophobicContact CG2-CG 3.8Å
227	P	98.8	Very high	98.7	Very high	64 Å²	64	24.2 Å²	24.2	42%	0.416	13%	0.125	S	C	.	.	S	Bend	trans	-51.1	-46.1	175.1	-32.7	38.3	0	0	0	114.3	G272 S273 E276 T316	P227-G272 CarbonylContact O-C 3.56Å; P227-G272 WeakPolarHBondContact O-CA 3.43Å; P227-S273 PolarHBondContact O-N 2.74Å; P227-E276 HydrophobicContact CB-CG 4.21Å; P227-E276 WeakPolarHBondContact O-CB 3.26Å; P227-E276 VanDerWaalsContact O-CG 3.25Å; P227-E276 WeakPolarHBondContact O-CG 3.42Å; P227-T316 HydrophobicContact CB-CG2 4.37Å; P227-T316 WeakPolarHBondContact CD-OG1 3.17Å
228	L	98.9	Very high	98.6	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.3	177.3	177.9	62.8	0	0	0	111.5	T226 E276 L280 Y309 L310 P315 T316 K317	T226-L228 VanDerWaalsContact C-N 3.33Å; T226-L228 VanDerWaalsContact CG2-O 3.3Å; T226-L228 WeakPolarHBondContact CG2-O 3.36Å; T226-L228 PolarHBondContact O-N 2.74Å; L228-E276 HydrophobicContact CB-CB 4.24Å; L228-E276 HydrophobicContact CB-CG 4.37Å; L228-E276 HydrophobicContact CD1-CB 4.48Å; L228-L280 HydrophobicContact CD1-CD1 3.7Å; L228-Y309 HydrophobicContact CD2-CE1 4.03Å; L228-L310 HydrophobicContact CD1-CD2 4.23Å; L228-L310 HydrophobicContact CD2-CD2 3.9Å; L228-L310 HydrophobicContact CG-CD2 4.1Å; L228-P315 HydrophobicContact CG-CB 4.25Å; L228-P315 CarbonylContact O-C 3.26Å; L228-P315 WeakPolarHBondContact O-CA 3.39Å; L228-T316 PolarHBondContact N-OG1 3.5Å; L228-T316 PolarHBondContact O-N 3.31Å; L228-T316 PolarHBondContact O-OG1 3.07Å; L228-K317 PolarHBondContact O-N 3Å
229	F	98.9	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.4	172	68.9	-96.7	0	0	0	113.7	V208 I224 T226 F269 G271 K317 L319	V208-F229 HydrophobicContact CG1-CZ 4.26Å; V208-F229 HydrophobicContact CG2-CZ 4.15Å; I224-F229 HydrophobicContact CD1-CZ 4.2Å; I224-F229 HydrophobicContact CG1-CE1 4.34Å; I224-F229 HydrophobicContact CG1-CZ 4.38Å; I224-F229 WeakPolarHBondContact O-CD1 3.43Å; T226-F229 HydrophobicContact CG2-CB 3.78Å; T226-F229 HydrophobicContact CG2-CD1 4Å; T226-F229 HydrophobicContact CG2-CG 4.39Å; F229-F269 AromaticContact CE2-CD1 3.73Å; F229-F269 HydrophobicContact CE2-CD1 3.73Å; F229-F269 AromaticContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CZ-CE1 4.11Å; F229-G271 VanDerWaalsContact CD1-C 3.49Å; F229-G271 VanDerWaalsContact CE2-N 3.3Å; F229-G271 PolarHBondContact N-O 2.78Å; F229-G271 PolarHBondContact O-N 3.21Å; F229-K317 VanDerWaalsContact CA-O 3.26Å; F229-K317 WeakPolarHBondContact CA-O 3.3Å; F229-K317 HydrophobicContact CB-CB 4.36Å; F229-K317 VanDerWaalsContact CB-O 3.28Å; F229-K317 WeakPolarHBondContact CB-O 3.36Å; F229-L319 HydrophobicContact CD2-CD1 3.71Å; F229-L319 HydrophobicContact CD2-CG 3.96Å; F229-L319 HydrophobicContact CE2-CD1 3.82Å
230	G	98.8	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.5	166.4	0	0	0	0	0	110.6	V318 L319	G230-V318 WeakPolarHBondContact O-CA 3.37Å; G230-L319 PolarHBondContact O-N 3.21Å
231	T	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.8	-178.7	-58.2	0	0	0	0	111.3	H233 Y265 L266 F269 L319 L324	T231-H233 PolarHBondContact O-N 2.86Å; T231-Y265 CarbonylContact O-C 3.53Å; T231-Y265 VanDerWaalsContact O-CA 3.25Å; T231-Y265 WeakPolarHBondContact O-CA 3.43Å; T231-L266 PolarHBondContact O-N 2.89Å; T231-F269 WeakPolarHBondContact CB-O 3.49Å; T231-F269 HydrophobicContact CG2-CB 4.45Å; T231-F269 PolarHBondContact N-O 3.43Å; T231-F269 WeakPolarHBondContact OG1-CD1 3.25Å; T231-F269 PolarHBondContact OG1-O 3.04Å; T231-L319 HydrophobicContact CG2-CB 4.11Å; T231-L324 HydrophobicContact CG2-CB 4Å
232	L	98.8	Very high	98.4	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	126.8	173.6	-64.6	-179	0	0	0	110.5	I94 F263 V318 L319 P321	I94-L232 HydrophobicContact CG2-CD1 4.29Å; L232-F263 HydrophobicContact CD2-CB 3.46Å; L232-F263 VanDerWaalsContact CD2-CB 3.46Å; L232-F263 HydrophobicContact CD2-CD1 3.53Å; L232-F263 HydrophobicContact CD2-CD2 4.31Å; L232-F263 HydrophobicContact CD2-CE1 4.33Å; L232-F263 HydrophobicContact CD2-CG 3.52Å; L232-V318 HydrophobicContact CD1-CG1 4.29Å; L232-V318 HydrophobicContact CD2-CG1 3.64Å; L232-V318 HydrophobicContact CG-CG1 3.63Å; L232-L319 WeakPolarHBondContact CG-O 3.4Å; L232-L319 PolarHBondContact N-O 3.06Å; L232-P321 HydrophobicContact CB-CG 4.08Å
233	H	98.7	Very high	98.4	Very high	42 Å²	42	36 Å²	36	19%	0.194	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-67.5	131.7	179.2	-174.7	-72.9	0	0	0	111.2	T231 G235 F236 Y237 Y264 L266 E303	T231-H233 PolarHBondContact O-N 2.86Å; H233-G235 VanDerWaalsContact C-N 3.26Å; H233-G235 PolarHBondContact ND1-N 3.3Å; H233-G235 PolarHBondContact O-N 3.06Å; H233-F236 HydrophobicContact CB-CD2 4.26Å; H233-F236 AromaticContact CE1-CD2 3.88Å; H233-F236 AromaticContact CG-CD2 3.84Å; H233-F236 AromaticContact ND1-CD2 3.39Å; H233-F236 WeakPolarHBondContact ND1-CD2 3.21Å; H233-F236 PolarHBondContact O-N 3.4Å; H233-Y237 PolarHBondContact O-N 3.21Å; H233-Y237 VanDerWaalsContact O-N 3.13Å; H233-Y264 HydrophobicContact CB-CD1 3.6Å; H233-Y264 HydrophobicContact CB-CE1 4.24Å; H233-Y264 WeakPolarHBondContact CB-O 3.38Å; H233-Y264 AromaticContact CD2-CE1 3.84Å; H233-Y264 AromaticContact CG-CD1 3.86Å; H233-Y264 PolarHBondContact N-O 3.12Å; H233-L266 HydrophobicContact CB-CB 4.22Å; H233-L266 HydrophobicContact CB-CD1 4.28Å; H233-L266 HydrophobicContact CB-CG 4.5Å; H233-E303 IonicContact CD2-OE2 2.69Å
234	P	98.2	Very high	98.4	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.058	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.1	-169.6	31	-37	0	0	0	113	Y237 L266 P321 L324 W325 L330	P234-Y237 WeakPolarHBondContact O-CD1 3.36Å; P234-Y237 VanDerWaalsContact O-CE1 3.23Å; P234-Y237 WeakPolarHBondContact O-CE1 3.41Å; P234-L266 HydrophobicContact CG-CD1 4.35Å; P234-P321 HydrophobicContact CB-CB 4.21Å; P234-L324 WeakPolarHBondContact CB-O 3.22Å; P234-L324 HydrophobicContact CG-CD2 4.19Å; P234-L324 WeakPolarHBondContact CG-O 3.43Å; P234-W325 HydrophobicContact CB-CD2 4.1Å; P234-W325 HydrophobicContact CB-CE3 3.24Å; P234-W325 HydrophobicContact CB-CH2 4.33Å; P234-W325 HydrophobicContact CB-CZ3 3.37Å; P234-L330 HydrophobicContact CB-CD1 3.62Å; P234-L330 HydrophobicContact CG-CD1 4.1Å
235	G	98	Very high	98.4	Very high	39 Å²	39	38.6 Å²	38.6	40%	0.402	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.7	171.1	0	0	0	0	0	116.2	H233	H233-G235 VanDerWaalsContact C-N 3.26Å; H233-G235 PolarHBondContact ND1-N 3.3Å; H233-G235 PolarHBondContact O-N 3.06Å
236	F	98.5	Very high	98.4	Very high	40 Å²	40	38.9 Å²	38.9	18%	0.175	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-6.5	-169.6	-67.6	-68.3	0	0	0	116.1	H233 G238 S239 F244 T245 Y264	H233-F236 HydrophobicContact CB-CD2 4.26Å; H233-F236 AromaticContact CE1-CD2 3.88Å; H233-F236 AromaticContact CG-CD2 3.84Å; H233-F236 AromaticContact ND1-CD2 3.39Å; H233-F236 WeakPolarHBondContact ND1-CD2 3.21Å; H233-F236 PolarHBondContact O-N 3.4Å; F236-G238 PolarHBondContact O-N 3.45Å; F236-S239 WeakPolarHBondContact O-CB 3.33Å; F236-S239 PolarHBondContact O-N 3.46Å; F236-F244 HydrophobicContact CB-CD1 4.08Å; F236-F244 HydrophobicContact CB-CE1 4.13Å; F236-F244 HydrophobicContact CD1-CD1 4.22Å; F236-F244 HydrophobicContact CG-CD1 4.38Å; F236-F244 WeakPolarHBondContact O-CE1 3.45Å; F236-T245 HydrophobicContact CE1-CG2 4.22Å; F236-T245 HydrophobicContact CZ-CG2 3.67Å; F236-T245 WeakPolarHBondContact CZ-OG1 2.96Å; F236-Y264 HydrophobicContact CB-CD1 4.33Å; F236-Y264 HydrophobicContact CB-CG 4.36Å; F236-Y264 AromaticContact CD2-CD1 3.38Å; F236-Y264 HydrophobicContact CD2-CD1 3.38Å; F236-Y264 AromaticContact CD2-CE1 3.76Å; F236-Y264 HydrophobicContact CD2-CE1 3.76Å; F236-Y264 AromaticContact CD2-CG 3.93Å; F236-Y264 HydrophobicContact CD2-CG 3.93Å; F236-Y264 AromaticContact CE2-CD1 3.98Å; F236-Y264 HydrophobicContact CE2-CD1 3.98Å; F236-Y264 AromaticContact CE2-CE1 3.89Å; F236-Y264 HydrophobicContact CE2-CE1 3.89Å; F236-Y264 HydrophobicContact CG-CD1 4.12Å; F236-Y264 HydrophobicContact CG-CG 4.27Å
237	Y	97.8	Very high	98.4	Very high	84 Å²	84	38.4 Å²	38.4	33%	0.329	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.5	-175.5	73	-82.5	0	0	0	115.5	W96 H233 P234 P321 W325 V335	W96-Y237 HydrophobicContact CH2-CD2 4.49Å; H233-Y237 PolarHBondContact O-N 3.21Å; H233-Y237 VanDerWaalsContact O-N 3.13Å; P234-Y237 WeakPolarHBondContact O-CD1 3.36Å; P234-Y237 VanDerWaalsContact O-CE1 3.23Å; P234-Y237 WeakPolarHBondContact O-CE1 3.41Å; Y237-P321 HydrophobicContact CD1-CB 4.43Å; Y237-P321 HydrophobicContact CD1-CG 3.72Å; Y237-P321 HydrophobicContact CD2-CG 4.18Å; Y237-P321 HydrophobicContact CE1-CG 4.45Å; Y237-P321 HydrophobicContact CG-CG 3.57Å; Y237-W325 HydrophobicContact CD1-CZ3 4.25Å; Y237-W325 AromaticContact CE1-CH2 3.74Å; Y237-W325 HydrophobicContact CE1-CH2 3.74Å; Y237-W325 AromaticContact CE1-CZ3 3.73Å; Y237-W325 HydrophobicContact CE1-CZ3 3.73Å; Y237-V335 HydrophobicContact CE2-CG1 4.22Å
238	G	97.3	Very high	98.4	Very high	70 Å²	70	38.2 Å²	38.2	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	6.9	174.4	0	0	0	0	0	114.8	F236	F236-G238 PolarHBondContact O-N 3.45Å
239	S	98	Very high	98.4	Very high	50 Å²	50	42.9 Å²	42.9	35%	0.35	24%	0.239	S	C	.	.	S	Bend	trans	-90.6	156	-178.4	-53.5	0	0	0	0	112.1	F236 F244	F236-S239 WeakPolarHBondContact O-CB 3.33Å; F236-S239 PolarHBondContact O-N 3.46Å; S239-F244 WeakPolarHBondContact O-CE1 3.13Å
240	S	98.2	Very high	98.4	Very high	58 Å²	58	47 Å²	47	41%	0.406	27%	0.265	S	S	.	.			trans	-78.7	155.7	171.1	58.7	0	0	0	0	112.1	E242 A243 F244	S240-E242 VanDerWaalsContact CB-CD 3.46Å; S240-E242 WeakPolarHBondContact CB-OE1 3.44Å; S240-E242 WeakPolarHBondContact CB-OE2 3.43Å; S240-E242 PolarHBondContact O-N 2.85Å; S240-E242 PolarHBondContact OG-OE1 3.13Å; S240-E242 PolarHBondContact OG-OE2 3.43Å; S240-A243 WeakPolarHBondContact O-CB 3.18Å; S240-A243 PolarHBondContact O-N 3.13Å; S240-F244 PolarHBondContact O-N 2.76Å
241	R	98.2	Very high	98.4	Very high	120 Å²	120	52.9 Å²	52.9	45%	0.453	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.6	-168	72.9	173.8	68.8	89.6	1.8	114.5	A243 F244 R248 D259 G261	R241-A243 VanDerWaalsContact C-N 3.29Å; R241-F244 VanDerWaalsContact CA-CD2 3.48Å; R241-F244 HydrophobicContact CB-CD2 3.93Å; R241-F244 HydrophobicContact CB-CE2 3.94Å; R241-F244 WeakPolarHBondContact O-CB 3.35Å; R241-F244 PolarHBondContact O-N 3.07Å; R241-R248 PolarHBondContact O-NH2 3.11Å; R241-D259 WeakPolarHBondContact CD-O 3.29Å; R241-G261 PolarHBondContact NE-O 3.03Å; R241-G261 VanDerWaalsContact NE-O 3.1Å
242	E	97.3	Very high	98.4	Very high	97 Å²	97	53 Å²	53	45%	0.453	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-23	175.8	66.1	-78.7	-178.1	0	0	112.3	S240 K258	S240-E242 VanDerWaalsContact CB-CD 3.46Å; S240-E242 WeakPolarHBondContact CB-OE1 3.44Å; S240-E242 WeakPolarHBondContact CB-OE2 3.43Å; S240-E242 PolarHBondContact O-N 2.85Å; S240-E242 PolarHBondContact OG-OE1 3.13Å; S240-E242 PolarHBondContact OG-OE2 3.43Å; E242-K258 HydrophobicContact CB-CD 4.14Å; E242-K258 PolarHBondContact O-NZ 2.66Å
243	A	98.2	Very high	98.4	Very high	52 Å²	52	56.7 Å²	56.7	43%	0.43	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.3	173.3	0	0	0	0	0	113.1	S240 R241 T245	S240-A243 WeakPolarHBondContact O-CB 3.18Å; S240-A243 PolarHBondContact O-N 3.13Å; R241-A243 VanDerWaalsContact C-N 3.29Å; A243-T245 PolarHBondContact O-N 2.87Å
244	F	98.7	Very high	98.4	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.053	30%	0.301	C	S	.	.	S	Bend	trans	-58.6	132.7	174.8	-65.1	-16.5	0	0	0	111.7	F236 S239 S240 R241 Y246 R248 Y264	F236-F244 HydrophobicContact CB-CD1 4.08Å; F236-F244 HydrophobicContact CB-CE1 4.13Å; F236-F244 HydrophobicContact CD1-CD1 4.22Å; F236-F244 HydrophobicContact CG-CD1 4.38Å; F236-F244 WeakPolarHBondContact O-CE1 3.45Å; S239-F244 WeakPolarHBondContact O-CE1 3.13Å; S240-F244 PolarHBondContact O-N 2.76Å; R241-F244 VanDerWaalsContact CA-CD2 3.48Å; R241-F244 HydrophobicContact CB-CD2 3.93Å; R241-F244 HydrophobicContact CB-CE2 3.94Å; R241-F244 WeakPolarHBondContact O-CB 3.35Å; R241-F244 PolarHBondContact O-N 3.07Å; F244-Y246 HydrophobicContact CB-CD1 4.49Å; F244-Y246 HydrophobicContact CB-CD2 4.17Å; F244-Y246 HydrophobicContact CB-CE1 4.35Å; F244-Y246 HydrophobicContact CB-CE2 4Å; F244-Y246 HydrophobicContact CB-CG 4.4Å; F244-Y246 HydrophobicContact CD2-CE1 4.32Å; F244-Y246 AromaticContact CD2-CE2 3.77Å; F244-Y246 HydrophobicContact CD2-CE2 3.77Å; F244-Y246 AromaticContact CD2-CZ 3.55Å; F244-Y246 VanDerWaalsContact CD2-OH 3.29Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.31Å; F244-Y246 HydrophobicContact CG-CE2 4.42Å; F244-Y246 PolarHBondContact O-N 3.49Å; F244-R248 PolarHBondContact O-NH2 3.32Å; F244-Y264 HydrophobicContact CB-CD2 3.88Å; F244-Y264 HydrophobicContact CB-CG 4.43Å; F244-Y264 HydrophobicContact CG-CD2 4.36Å; F244-Y264 HydrophobicContact CG-CG 4.5Å
245	T	98.6	Very high	98.4	Very high	47 Å²	47	57.7 Å²	57.7	29%	0.288	31%	0.312	S	S	.	.			trans	-82.8	36.8	-176	51.2	0	0	0	0	113.6	F236 A243 Y264 W300	F236-T245 HydrophobicContact CE1-CG2 4.22Å; F236-T245 HydrophobicContact CZ-CG2 3.67Å; F236-T245 WeakPolarHBondContact CZ-OG1 2.96Å; A243-T245 PolarHBondContact O-N 2.87Å; T245-Y264 PolarHBondContact OG1-OH 3.43Å; T245-W300 VanDerWaalsContact CB-NE1 3.31Å; T245-W300 VanDerWaalsContact O-CD1 3.28Å; T245-W300 PolarHBondContact OG1-NE1 2.66Å; T245-W300 VanDerWaalsContact OG1-NE1 3.15Å
246	Y	98.8	Very high	98.4	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.027	29%	0.293	C	S	.	.			trans	-56.9	159.4	169.8	-53.2	-46	0	0	0	111	F244 R248 I256 F263 Y264 N307	F244-Y246 HydrophobicContact CB-CD1 4.49Å; F244-Y246 HydrophobicContact CB-CD2 4.17Å; F244-Y246 HydrophobicContact CB-CE1 4.35Å; F244-Y246 HydrophobicContact CB-CE2 4Å; F244-Y246 HydrophobicContact CB-CG 4.4Å; F244-Y246 HydrophobicContact CD2-CE1 4.32Å; F244-Y246 AromaticContact CD2-CE2 3.77Å; F244-Y246 HydrophobicContact CD2-CE2 3.77Å; F244-Y246 AromaticContact CD2-CZ 3.55Å; F244-Y246 VanDerWaalsContact CD2-OH 3.29Å; F244-Y246 WeakPolarHBondContact CD2-OH 3.31Å; F244-Y246 HydrophobicContact CG-CE2 4.42Å; F244-Y246 PolarHBondContact O-N 3.49Å; Y246-R248 WeakPolarHBondContact O-CD 3.13Å; Y246-R248 VanDerWaalsContact O-CG 3.29Å; Y246-R248 WeakPolarHBondContact O-CG 3.48Å; Y246-R248 PolarHBondContact O-N 3.13Å; Y246-R248 PolarHBondContact O-NE 3.13Å; Y246-I256 HydrophobicContact CD1-CD1 3.78Å; Y246-I256 HydrophobicContact CD2-CB 3.73Å; Y246-I256 HydrophobicContact CD2-CD1 3.84Å; Y246-I256 HydrophobicContact CD2-CG1 4.34Å; Y246-I256 HydrophobicContact CD2-CG2 3.57Å; Y246-I256 HydrophobicContact CE1-CD1 4.04Å; Y246-I256 HydrophobicContact CE2-CB 4.42Å; Y246-I256 HydrophobicContact CE2-CD1 4.11Å; Y246-I256 HydrophobicContact CE2-CG2 3.83Å; Y246-I256 HydrophobicContact CG-CB 4.05Å; Y246-I256 HydrophobicContact CG-CD1 3.68Å; Y246-I256 HydrophobicContact CG-CG1 4.33Å; Y246-I256 HydrophobicContact CG-CG2 4.36Å; Y246-F263 PolarHBondContact OH-O 3.35Å; Y246-Y264 AromaticContact CD1-CD2 3.45Å; Y246-Y264 HydrophobicContact CD1-CD2 3.45Å; Y246-Y264 VanDerWaalsContact CD1-CD2 3.45Å; Y246-Y264 AromaticContact CD1-CE2 3.68Å; Y246-Y264 HydrophobicContact CD1-CE2 3.68Å; Y246-Y264 AromaticContact CE1-CD2 3.45Å; Y246-Y264 HydrophobicContact CE1-CD2 3.45Å; Y246-Y264 VanDerWaalsContact CE1-CD2 3.45Å; Y246-Y264 HydrophobicContact CE1-CE2 4.15Å; Y246-Y264 HydrophobicContact CE1-CG 4.33Å; Y246-Y264 HydrophobicContact CG-CD2 4.42Å; Y246-N307 HydrophobicContact CD1-CB 3.81Å; Y246-N307 HydrophobicContact CE1-CB 3.77Å; Y246-N307 WeakPolarHBondContact CE1-OD1 3.26Å
247	E	98.8	Very high	98.4	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.023	29%	0.292	C	S	.	.			trans	-60.4	126.2	167.6	-178	52.3	-107.1	0	0	110.8	R249 A254 Y255 I256 A298 V299	E247-R249 VanDerWaalsContact OE1-CB 3.23Å; E247-R249 WeakPolarHBondContact OE1-CB 3.39Å; E247-R249 WeakPolarHBondContact OE1-CG 3.35Å; E247-R249 IonicContact OE1-CZ 3.62Å; E247-R249 PolarHBondContact OE1-N 2.76Å; E247-R249 IonicContact OE1-NE 3.67Å; E247-R249 PolarHBondContact OE1-NE 2.74Å; E247-R249 IonicContact OE1-NH2 3.12Å; E247-R249 IonicContact OE2-CZ 3.3Å; E247-R249 IonicContact OE2-NE 2.81Å; E247-R249 PolarHBondContact OE2-NE 3.4Å; E247-R249 IonicContact OE2-NH2 3.69Å; E247-R249 PolarHBondContact OE2-NH2 3.08Å; E247-A254 HydrophobicContact CB-CB 3.79Å; E247-A254 HydrophobicContact CG-CB 4.23Å; E247-Y255 WeakPolarHBondContact O-CA 3.36Å; E247-I256 PolarHBondContact O-N 2.68Å; E247-A298 WeakPolarHBondContact OE2-CA 3.49Å; E247-V299 HydrophobicContact CB-CG1 4.32Å; E247-V299 PolarHBondContact OE2-N 2.52Å
248	R	98.7	Very high	98.4	Very high	59 Å²	59	56.9 Å²	56.9	22%	0.223	30%	0.302	C	S	.	.			trans	-114.6	-1.9	-175.5	-54	-49.3	-174.7	155.2	4.8	113.5	R241 F244 Y246 P250 Y255 I256 P257	R241-R248 PolarHBondContact O-NH2 3.11Å; F244-R248 PolarHBondContact O-NH2 3.32Å; Y246-R248 WeakPolarHBondContact O-CD 3.13Å; Y246-R248 VanDerWaalsContact O-CG 3.29Å; Y246-R248 WeakPolarHBondContact O-CG 3.48Å; Y246-R248 PolarHBondContact O-N 3.13Å; Y246-R248 PolarHBondContact O-NE 3.13Å; R248-P250 WeakPolarHBondContact O-CD 3.4Å; R248-Y255 VanDerWaalsContact O-CE2 3.28Å; R248-Y255 WeakPolarHBondContact O-CE2 3.39Å; R248-I256 VanDerWaalsContact CD-O 3.29Å; R248-I256 WeakPolarHBondContact CD-O 3.36Å; R248-I256 PolarHBondContact NH1-O 3.43Å; R248-P257 VanDerWaalsContact NH1-C 3.29Å; R248-P257 PolarHBondContact NH1-O 2.82Å
249	R	98.7	Very high	98.5	Very high	103 Å²	103	59.5 Å²	59.5	39%	0.389	30%	0.299	S	S	.	.			trans	-82.3	114.3	171.8	-65.9	170.9	-70.3	170.8	0.5	109.6	E247 Q251 S252 I296 E297	E247-R249 VanDerWaalsContact OE1-CB 3.23Å; E247-R249 WeakPolarHBondContact OE1-CB 3.39Å; E247-R249 WeakPolarHBondContact OE1-CG 3.35Å; E247-R249 IonicContact OE1-CZ 3.62Å; E247-R249 PolarHBondContact OE1-N 2.76Å; E247-R249 IonicContact OE1-NE 3.67Å; E247-R249 PolarHBondContact OE1-NE 2.74Å; E247-R249 IonicContact OE1-NH2 3.12Å; E247-R249 IonicContact OE2-CZ 3.3Å; E247-R249 IonicContact OE2-NE 2.81Å; E247-R249 PolarHBondContact OE2-NE 3.4Å; E247-R249 IonicContact OE2-NH2 3.69Å; E247-R249 PolarHBondContact OE2-NH2 3.08Å; R249-Q251 PolarHBondContact O-N 2.84Å; R249-S252 PolarHBondContact O-N 3.22Å; R249-S252 VanDerWaalsContact O-N 3.11Å; R249-I296 HydrophobicContact CB-CD1 4.16Å; R249-E297 PolarHBondContact NH2-O 3.39Å
250	P	98.5	Very high	98.5	Very high	85 Å²	85	59.8 Å²	59.8	55%	0.552	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.1	-177.8	-24.4	35.5	0	0	0	115.4	R248 S252 Y255	R248-P250 WeakPolarHBondContact O-CD 3.4Å; P250-S252 VanDerWaalsContact C-N 3.3Å; P250-Y255 HydrophobicContact CB-CD1 4.24Å; P250-Y255 HydrophobicContact CB-CE1 4.25Å; P250-Y255 HydrophobicContact CB-CG 4.4Å; P250-Y255 HydrophobicContact CG-CD2 4.35Å; P250-Y255 HydrophobicContact CG-CE1 4.28Å; P250-Y255 HydrophobicContact CG-CE2 4.01Å
251	Q	98.6	Very high	98.5	Very high	125 Å²	125	57.4 Å²	57.4	58%	0.584	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.2	177.2	-61.1	78.4	9	0	0	113.2	R249 I296	R249-Q251 PolarHBondContact O-N 2.84Å; Q251-I296 HydrophobicContact CB-CD1 4.07Å
252	S	98.8	Very high	98.5	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-90.3	140.7	179.1	166.5	0	0	0	0	111.8	R249 P250 A254 Y255 D291	R249-S252 PolarHBondContact O-N 3.22Å; R249-S252 VanDerWaalsContact O-N 3.11Å; P250-S252 VanDerWaalsContact C-N 3.3Å; S252-A254 PolarHBondContact O-N 3Å; S252-A254 WeakPolarHBondContact OG-CB 3.15Å; S252-A254 PolarHBondContact OG-N 3.29Å; S252-Y255 WeakPolarHBondContact O-CB 3.28Å; S252-Y255 PolarHBondContact O-N 3.45Å; S252-D291 WeakPolarHBondContact CA-OD1 3.45Å; S252-D291 VanDerWaalsContact CB-OD2 3.31Å; S252-D291 WeakPolarHBondContact CB-OD2 3.37Å; S252-D291 PolarHBondContact OG-OD2 3.23Å
253	Q	98.8	Very high	98.6	Very high	84 Å²	84	51.2 Å²	51.2	39%	0.393	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.4	170	-63.7	-47.5	-65.9	0	0	112.5	Y255 A287 V290 D291 K308	Q253-Y255 PolarHBondContact O-N 2.79Å; Q253-A287 HydrophobicContact CB-CB 3.81Å; Q253-A287 HydrophobicContact CG-CB 4.37Å; Q253-V290 HydrophobicContact CG-CB 3.78Å; Q253-V290 HydrophobicContact CG-CG1 3.61Å; Q253-D291 WeakPolarHBondContact CG-OD1 3.45Å; Q253-D291 PolarHBondContact N-OD1 3.23Å; Q253-D291 PolarHBondContact N-OD2 3.37Å; Q253-K308 WeakPolarHBondContact O-CG 3.41Å; Q253-K308 PolarHBondContact O-NZ 2.81Å
254	A	98.9	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.7	176	0	0	0	0	0	114.2	E247 S252 I256 A298	E247-A254 HydrophobicContact CB-CB 3.79Å; E247-A254 HydrophobicContact CG-CB 4.23Å; S252-A254 PolarHBondContact O-N 3Å; S252-A254 WeakPolarHBondContact OG-CB 3.15Å; S252-A254 PolarHBondContact OG-N 3.29Å; A254-I256 PolarHBondContact O-N 2.89Å; A254-A298 HydrophobicContact CB-CB 3.92Å
255	Y	98.8	Very high	98.6	Very high	72 Å²	72	48.4 Å²	48.4	28%	0.282	24%	0.235	S	C	.	.			trans	-53.5	132	-174.7	175.2	-119.2	0	0	0	114.2	E247 R248 P250 S252 Q253 P257 K308	E247-Y255 WeakPolarHBondContact O-CA 3.36Å; R248-Y255 VanDerWaalsContact O-CE2 3.28Å; R248-Y255 WeakPolarHBondContact O-CE2 3.39Å; P250-Y255 HydrophobicContact CB-CD1 4.24Å; P250-Y255 HydrophobicContact CB-CE1 4.25Å; P250-Y255 HydrophobicContact CB-CG 4.4Å; P250-Y255 HydrophobicContact CG-CD2 4.35Å; P250-Y255 HydrophobicContact CG-CE1 4.28Å; P250-Y255 HydrophobicContact CG-CE2 4.01Å; S252-Y255 WeakPolarHBondContact O-CB 3.28Å; S252-Y255 PolarHBondContact O-N 3.45Å; Q253-Y255 PolarHBondContact O-N 2.79Å; Y255-P257 HydrophobicContact CE1-CG 3.78Å; Y255-K308 PolarHBondContact O-NZ 2.68Å
256	I	98.8	Very high	98.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.			trans	-130.3	123.4	170.4	-58.3	177.2	0	0	0	109.4	Y246 E247 R248 A254 E260 N307 K308 L311	Y246-I256 HydrophobicContact CD1-CD1 3.78Å; Y246-I256 HydrophobicContact CD2-CB 3.73Å; Y246-I256 HydrophobicContact CD2-CD1 3.84Å; Y246-I256 HydrophobicContact CD2-CG1 4.34Å; Y246-I256 HydrophobicContact CD2-CG2 3.57Å; Y246-I256 HydrophobicContact CE1-CD1 4.04Å; Y246-I256 HydrophobicContact CE2-CB 4.42Å; Y246-I256 HydrophobicContact CE2-CD1 4.11Å; Y246-I256 HydrophobicContact CE2-CG2 3.83Å; Y246-I256 HydrophobicContact CG-CB 4.05Å; Y246-I256 HydrophobicContact CG-CD1 3.68Å; Y246-I256 HydrophobicContact CG-CG1 4.33Å; Y246-I256 HydrophobicContact CG-CG2 4.36Å; E247-I256 PolarHBondContact O-N 2.68Å; R248-I256 VanDerWaalsContact CD-O 3.29Å; R248-I256 WeakPolarHBondContact CD-O 3.36Å; R248-I256 PolarHBondContact NH1-O 3.43Å; A254-I256 PolarHBondContact O-N 2.89Å; I256-E260 HydrophobicContact CG2-CB 3.76Å; I256-N307 HydrophobicContact CD1-CB 4.33Å; I256-K308 HydrophobicContact CD1-CB 4.46Å; I256-K308 HydrophobicContact CG1-CD 4.14Å; I256-L311 HydrophobicContact CB-CD2 4.37Å; I256-L311 HydrophobicContact CD1-CD2 3.86Å; I256-L311 HydrophobicContact CG1-CD2 3.88Å; I256-L311 HydrophobicContact CG2-CD2 3.63Å
257	P	98.5	Very high	98.4	Very high	25 Å²	25	46.6 Å²	46.6	16%	0.162	23%	0.225	C	C	.	.			trans	-56.6	158.6	172.9	-27.8	36.5	0	0	0	114.5	R248 Y255 D259 E260	R248-P257 VanDerWaalsContact NH1-C 3.29Å; R248-P257 PolarHBondContact NH1-O 2.82Å; Y255-P257 HydrophobicContact CE1-CG 3.78Å; P257-D259 VanDerWaalsContact C-N 3.28Å; P257-D259 WeakPolarHBondContact CB-OD1 3.38Å; P257-D259 PolarHBondContact O-N 3.13Å; P257-E260 HydrophobicContact CB-CB 4.31Å; P257-E260 HydrophobicContact CB-CG 4.13Å; P257-E260 WeakPolarHBondContact CD-OE1 3.29Å; P257-E260 HydrophobicContact CG-CG 4.21Å; P257-E260 WeakPolarHBondContact CG-OE1 3.23Å; P257-E260 PolarHBondContact O-N 3.01Å
258	K	98.1	Very high	98.3	Very high	120 Å²	120	46.3 Å²	46.3	52%	0.522	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.3	-174.8	-83.6	-73.2	-169	175.8	0	113.9	E242	E242-K258 HydrophobicContact CB-CD 4.14Å; E242-K258 PolarHBondContact O-NZ 2.66Å
259	D	98.3	Very high	98.3	Very high	125 Å²	125	43.5 Å²	43.5	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.4	177	55.4	-30.9	0	0	0	113.4	R241 P257	R241-D259 WeakPolarHBondContact CD-O 3.29Å; P257-D259 VanDerWaalsContact C-N 3.28Å; P257-D259 WeakPolarHBondContact CB-OD1 3.38Å; P257-D259 PolarHBondContact O-N 3.13Å
260	E	98.6	Very high	98.3	Very high	56 Å²	56	38.8 Å²	38.8	26%	0.262	20%	0.195	S	C	.	.			trans	-95.7	154.2	175.1	-68.8	-157.3	-108.8	0	0	113.3	I256 P257 L311 R312	I256-E260 HydrophobicContact CG2-CB 3.76Å; P257-E260 HydrophobicContact CB-CB 4.31Å; P257-E260 HydrophobicContact CB-CG 4.13Å; P257-E260 WeakPolarHBondContact CD-OE1 3.29Å; P257-E260 HydrophobicContact CG-CG 4.21Å; P257-E260 WeakPolarHBondContact CG-OE1 3.23Å; P257-E260 PolarHBondContact O-N 3.01Å; E260-L311 HydrophobicContact CB-CD2 4.32Å; E260-R312 VanDerWaalsContact CD-NH2 3.29Å; E260-R312 IonicContact OE1-CZ 2.94Å; E260-R312 IonicContact OE1-NH2 3.12Å; E260-R312 PolarHBondContact OE1-NH2 2.83Å; E260-R312 IonicContact OE2-CZ 2.78Å; E260-R312 IonicContact OE2-NH1 3.57Å; E260-R312 PolarHBondContact OE2-NH1 2.87Å; E260-R312 IonicContact OE2-NH2 3.54Å; E260-R312 PolarHBondContact OE2-NH2 2.95Å
261	G	98.2	Very high	98.3	Very high	8 Å²	8	34.7 Å²	34.7	8%	0.082	17%	0.169	C	C	.	.			trans	121.8	127.4	178.5	0	0	0	0	0	113.5	R241	R241-G261 PolarHBondContact NE-O 3.03Å; R241-G261 VanDerWaalsContact NE-O 3.1Å
262	D	98.6	Very high	98.3	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.294	14%	0.141	S	C	.	.	S	Bend	trans	-88.2	-53.3	172.8	-37.9	-89.4	0	0	0	110.8	W90 L311 K314	W90-D262 HydrophobicContact CH2-CB 3.71Å; W90-D262 HydrophobicContact CZ3-CB 3.68Å; W90-D262 VanDerWaalsContact CZ3-CG 3.49Å; W90-D262 WeakPolarHBondContact CZ3-OD1 3.4Å; D262-L311 WeakPolarHBondContact OD2-CD1 3.46Å; D262-K314 VanDerWaalsContact CG-NZ 3.26Å; D262-K314 IonicContact OD1-NZ 3.85Å; D262-K314 PolarHBondContact OD1-NZ 3.35Å; D262-K314 VanDerWaalsContact OD1-NZ 3.13Å; D262-K314 IonicContact OD2-NZ 3.87Å; D262-K314 PolarHBondContact OD2-NZ 2.8Å
263	F	98.7	Very high	98.3	Very high	32 Å²	32	29.9 Å²	29.9	14%	0.14	15%	0.149	C	C	.	.			trans	-149.4	150.8	-177.3	-55.2	-78	0	0	0	110.8	L85 T88 W90 I94 L232 Y246 Y265	L85-F263 HydrophobicContact CD2-CZ 4.22Å; T88-F263 HydrophobicContact CG2-CE2 3.88Å; T88-F263 HydrophobicContact CG2-CZ 4.32Å; W90-F263 AromaticContact CH2-CD2 3.94Å; W90-F263 HydrophobicContact CH2-CD2 3.94Å; W90-F263 AromaticContact CH2-CE2 3.69Å; W90-F263 HydrophobicContact CH2-CE2 3.69Å; W90-F263 HydrophobicContact CZ2-CE2 4.41Å; W90-F263 HydrophobicContact CZ3-CE2 4.31Å; I94-F263 HydrophobicContact CD1-CE1 4.4Å; I94-F263 HydrophobicContact CD1-CZ 3.86Å; L232-F263 HydrophobicContact CD2-CB 3.46Å; L232-F263 VanDerWaalsContact CD2-CB 3.46Å; L232-F263 HydrophobicContact CD2-CD1 3.53Å; L232-F263 HydrophobicContact CD2-CD2 4.31Å; L232-F263 HydrophobicContact CD2-CE1 4.33Å; L232-F263 HydrophobicContact CD2-CG 3.52Å; Y246-F263 PolarHBondContact OH-O 3.35Å; F263-Y265 HydrophobicContact CB-CE1 4.15Å; F263-Y265 HydrophobicContact CB-CE2 4.29Å; F263-Y265 HydrophobicContact CD2-CE1 4.38Å; F263-Y265 WeakPolarHBondContact CD2-OH 3.4Å; F263-Y265 WeakPolarHBondContact O-CD2 3.39Å
264	Y	98.9	Very high	98.3	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.016	13%	0.132	C	C	.	.			trans	-86.6	109.8	167.6	-163.9	-92.1	0	0	0	110.4	H233 F236 F244 T245 Y246 W300 E303	H233-Y264 HydrophobicContact CB-CD1 3.6Å; H233-Y264 HydrophobicContact CB-CE1 4.24Å; H233-Y264 WeakPolarHBondContact CB-O 3.38Å; H233-Y264 AromaticContact CD2-CE1 3.84Å; H233-Y264 AromaticContact CG-CD1 3.86Å; H233-Y264 PolarHBondContact N-O 3.12Å; F236-Y264 HydrophobicContact CB-CD1 4.33Å; F236-Y264 HydrophobicContact CB-CG 4.36Å; F236-Y264 AromaticContact CD2-CD1 3.38Å; F236-Y264 HydrophobicContact CD2-CD1 3.38Å; F236-Y264 AromaticContact CD2-CE1 3.76Å; F236-Y264 HydrophobicContact CD2-CE1 3.76Å; F236-Y264 AromaticContact CD2-CG 3.93Å; F236-Y264 HydrophobicContact CD2-CG 3.93Å; F236-Y264 AromaticContact CE2-CD1 3.98Å; F236-Y264 HydrophobicContact CE2-CD1 3.98Å; F236-Y264 AromaticContact CE2-CE1 3.89Å; F236-Y264 HydrophobicContact CE2-CE1 3.89Å; F236-Y264 HydrophobicContact CG-CD1 4.12Å; F236-Y264 HydrophobicContact CG-CG 4.27Å; F244-Y264 HydrophobicContact CB-CD2 3.88Å; F244-Y264 HydrophobicContact CB-CG 4.43Å; F244-Y264 HydrophobicContact CG-CD2 4.36Å; F244-Y264 HydrophobicContact CG-CG 4.5Å; T245-Y264 PolarHBondContact OG1-OH 3.43Å; Y246-Y264 AromaticContact CD1-CD2 3.45Å; Y246-Y264 HydrophobicContact CD1-CD2 3.45Å; Y246-Y264 VanDerWaalsContact CD1-CD2 3.45Å; Y246-Y264 AromaticContact CD1-CE2 3.68Å; Y246-Y264 HydrophobicContact CD1-CE2 3.68Å; Y246-Y264 AromaticContact CE1-CD2 3.45Å; Y246-Y264 HydrophobicContact CE1-CD2 3.45Å; Y246-Y264 VanDerWaalsContact CE1-CD2 3.45Å; Y246-Y264 HydrophobicContact CE1-CE2 4.15Å; Y246-Y264 HydrophobicContact CE1-CG 4.33Å; Y246-Y264 HydrophobicContact CG-CD2 4.42Å; Y264-W300 VanDerWaalsContact OH-CD1 3.23Å; Y264-E303 HydrophobicContact CE1-CG 4.39Å; Y264-E303 WeakPolarHBondContact CE1-OE1 3.26Å; Y264-E303 VanDerWaalsContact CZ-OE1 3.24Å; Y264-E303 PolarHBondContact OH-OE1 3.42Å
265	Y	98.8	Very high	98.3	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	154.3	180	-57.5	-76.3	0	0	0	112.1	T231 F263 E303 N307 L310 P315 V318	T231-Y265 CarbonylContact O-C 3.53Å; T231-Y265 VanDerWaalsContact O-CA 3.25Å; T231-Y265 WeakPolarHBondContact O-CA 3.43Å; F263-Y265 HydrophobicContact CB-CE1 4.15Å; F263-Y265 HydrophobicContact CB-CE2 4.29Å; F263-Y265 HydrophobicContact CD2-CE1 4.38Å; F263-Y265 WeakPolarHBondContact CD2-OH 3.4Å; F263-Y265 WeakPolarHBondContact O-CD2 3.39Å; Y265-E303 WeakPolarHBondContact O-CG 3.47Å; Y265-N307 PolarHBondContact N-OD1 3.12Å; Y265-N307 PolarHBondContact O-ND2 3.35Å; Y265-L310 HydrophobicContact CD1-CD1 4Å; Y265-L310 HydrophobicContact CD2-CB 3.75Å; Y265-L310 HydrophobicContact CD2-CD1 3.6Å; Y265-L310 HydrophobicContact CD2-CG 4.33Å; Y265-L310 HydrophobicContact CE1-CD1 4.43Å; Y265-L310 HydrophobicContact CE2-CB 3.64Å; Y265-L310 HydrophobicContact CE2-CD1 4.06Å; Y265-L310 HydrophobicContact CG-CD1 3.55Å; Y265-P315 HydrophobicContact CE1-CG 4.18Å; Y265-P315 WeakPolarHBondContact OH-CG 3.5Å; Y265-V318 HydrophobicContact CE1-CG1 4Å; Y265-V318 HydrophobicContact CE1-CG2 4Å
266	L	95.9	Very high	98.3	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.068	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.9	-173.7	-155.9	157.2	0	0	0	113.6	T231 H233 P234 G268 F269 E303 L306 L324	T231-L266 PolarHBondContact O-N 2.89Å; H233-L266 HydrophobicContact CB-CB 4.22Å; H233-L266 HydrophobicContact CB-CD1 4.28Å; H233-L266 HydrophobicContact CB-CG 4.5Å; P234-L266 HydrophobicContact CG-CD1 4.35Å; L266-G268 PolarHBondContact O-N 2.95Å; L266-F269 PolarHBondContact O-N 3.4Å; L266-E303 VanDerWaalsContact CA-OE2 3.3Å; L266-E303 WeakPolarHBondContact CA-OE2 3.45Å; L266-L306 VanDerWaalsContact O-CD2 3.31Å; L266-L306 WeakPolarHBondContact O-CD2 3.38Å; L266-L324 HydrophobicContact CD1-CB 4.35Å; L266-L324 HydrophobicContact CD1-CD1 3.7Å; L266-L324 HydrophobicContact CD1-CD2 3.43Å; L266-L324 VanDerWaalsContact CD1-CD2 3.43Å; L266-L324 HydrophobicContact CD1-CG 3.97Å; L266-L324 HydrophobicContact CD2-CD1 3.51Å; L266-L324 HydrophobicContact CG-CD1 4.14Å
267	G	96.2	Very high	98.3	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	-11.5	-179	0	0	0	0	0	116	R188 E303	R188-G267 PolarHBondContact NH2-O 3.1Å; G267-E303 PolarHBondContact N-OE2 2.94Å
268	G	96.6	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	7.1	-175.1	0	0	0	0	0	114.8	V210 D211 L266	V210-G268 VanDerWaalsContact CA-O 3.22Å; V210-G268 WeakPolarHBondContact CA-O 3.45Å; D211-G268 PolarHBondContact N-O 3.44Å; D211-G268 VanDerWaalsContact N-O 3.1Å; D211-G268 WeakPolarHBondContact OD1-CA 3.4Å; D211-G268 WeakPolarHBondContact OD2-CA 3.48Å; L266-G268 PolarHBondContact O-N 2.95Å
269	F	98.7	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	99.9	165.4	-156.3	-60.8	0	0	0	111	V208 C209 V210 V220 I224 F229 T231 L266 L319 Y323 L324 F341	V208-F269 HydrophobicContact CG1-CE1 4Å; V208-F269 HydrophobicContact CG1-CZ 3.98Å; C209-F269 WeakPolarHBondContact O-CA 3.39Å; V210-F269 HydrophobicContact CG1-CB 4.41Å; V210-F269 HydrophobicContact CG1-CD1 4.43Å; V210-F269 HydrophobicContact CG1-CD2 3.5Å; V210-F269 HydrophobicContact CG1-CE2 3.75Å; V210-F269 HydrophobicContact CG1-CG 3.88Å; V210-F269 HydrophobicContact CG1-CZ 4.31Å; V220-F269 HydrophobicContact CG1-CZ 4.05Å; I224-F269 HydrophobicContact CD1-CE1 4.11Å; I224-F269 HydrophobicContact CD1-CZ 4.06Å; F229-F269 AromaticContact CE2-CD1 3.73Å; F229-F269 HydrophobicContact CE2-CD1 3.73Å; F229-F269 AromaticContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CE2-CE1 3.59Å; F229-F269 HydrophobicContact CZ-CE1 4.11Å; T231-F269 WeakPolarHBondContact CB-O 3.49Å; T231-F269 HydrophobicContact CG2-CB 4.45Å; T231-F269 PolarHBondContact N-O 3.43Å; T231-F269 WeakPolarHBondContact OG1-CD1 3.25Å; T231-F269 PolarHBondContact OG1-O 3.04Å; L266-F269 PolarHBondContact O-N 3.4Å; F269-L319 HydrophobicContact CD1-CD1 3.79Å; F269-L319 HydrophobicContact CE1-CD1 3.39Å; F269-L319 HydrophobicContact CZ-CD1 4.23Å; F269-Y323 WeakPolarHBondContact CD2-O 3.13Å; F269-L324 HydrophobicContact CB-CD1 3.87Å; F269-F341 AromaticContact CD2-CD1 3.59Å; F269-F341 HydrophobicContact CD2-CD1 3.59Å; F269-F341 AromaticContact CD2-CE1 3.76Å; F269-F341 HydrophobicContact CD2-CE1 3.76Å; F269-F341 HydrophobicContact CD2-CG 4.45Å; F269-F341 AromaticContact CE2-CD1 3.94Å; F269-F341 HydrophobicContact CE2-CD1 3.94Å; F269-F341 HydrophobicContact CE2-CE1 4.27Å; F269-F341 HydrophobicContact CE2-CG 4.37Å
270	F	98.9	Very high	98.3	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.013	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	173.1	172.1	66.8	-88.5	0	0	0	110.2	M189 I192 C209 L280 T281 L306	M189-F270 HydrophobicContact CE-CE1 3.93Å; M189-F270 HydrophobicContact CE-CZ 3.89Å; M189-F270 HydrophobicContact SD-CZ 4.03Å; I192-F270 HydrophobicContact CD1-CZ 4.2Å; C209-F270 HydrophobicContact CB-CD1 4.21Å; C209-F270 HydrophobicContact CB-CD2 4Å; C209-F270 HydrophobicContact CB-CE1 3.83Å; C209-F270 HydrophobicContact CB-CE2 3.59Å; C209-F270 HydrophobicContact CB-CG 4.29Å; C209-F270 HydrophobicContact CB-CZ 3.5Å; C209-F270 PolarHBondContact N-O 2.83Å; C209-F270 PolarHBondContact O-N 3.22Å; C209-F270 VanDerWaalsContact O-N 3.08Å; F270-L280 HydrophobicContact CD2-CD1 4.38Å; F270-L280 HydrophobicContact CD2-CD2 4.08Å; F270-L280 HydrophobicContact CE2-CD2 3.84Å; F270-L280 HydrophobicContact CZ-CD2 4.48Å; F270-T281 HydrophobicContact CE2-CG2 3.99Å; F270-T281 HydrophobicContact CZ-CG2 4.29Å; F270-L306 HydrophobicContact CB-CD1 4.35Å; F270-L306 HydrophobicContact CB-CD2 4.41Å; F270-L306 HydrophobicContact CD1-CD2 4.2Å; F270-L306 HydrophobicContact CG-CD1 4.33Å
271	G	98.9	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-165.6	177.5	0	0	0	0	0	113.3	L207 F229	L207-G271 CarbonylContact O-C 3.56Å; L207-G271 WeakPolarHBondContact O-CA 3.36Å; F229-G271 VanDerWaalsContact CD1-C 3.49Å; F229-G271 VanDerWaalsContact CE2-N 3.3Å; F229-G271 PolarHBondContact N-O 2.78Å; F229-G271 PolarHBondContact O-N 3.21Å
272	G	98.8	Very high	98.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.2	-163.6	-173.6	0	0	0	0	0	112.5	Y206 L207 T226 P227 V277	Y206-G272 CarbonylContact C-O 3.16Å; Y206-G272 VanDerWaalsContact CA-O 3.25Å; Y206-G272 WeakPolarHBondContact CA-O 3.36Å; Y206-G272 WeakPolarHBondContact CB-O 3.36Å; L207-G272 PolarHBondContact N-O 2.81Å; L207-G272 PolarHBondContact O-N 2.83Å; T226-G272 CarbonylContact O-C 3.45Å; T226-G272 WeakPolarHBondContact O-CA 3.5Å; P227-G272 CarbonylContact O-C 3.56Å; P227-G272 WeakPolarHBondContact O-CA 3.43Å; G272-V277 VanDerWaalsContact N-CG2 3.33Å
273	S	98.7	Very high	98.4	Very high	27 Å²	27	22.6 Å²	22.6	19%	0.189	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	155.1	164.2	72	0	0	0	0	109.8	D205 T226 P227 Q275 E276 V277	D205-S273 WeakPolarHBondContact O-CA 3.5Å; T226-S273 PolarHBondContact O-N 3.43Å; P227-S273 PolarHBondContact O-N 2.74Å; S273-Q275 PolarHBondContact O-N 2.9Å; S273-Q275 VanDerWaalsContact O-N 3.16Å; S273-E276 PolarHBondContact O-N 3.46Å; S273-E276 VanDerWaalsContact O-N 3.14Å; S273-E276 PolarHBondContact OG-N 2.63Å; S273-V277 WeakPolarHBondContact O-CG2 3.42Å; S273-V277 PolarHBondContact O-N 2.84Å
274	V	98.7	Very high	98.4	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-55.3	-36.9	179	-176.8	0	0	0	0	112	C196 F200 L201 V204 D205 L207 Q278	C196-V274 HydrophobicContact CB-CG1 4.16Å; F200-V274 HydrophobicContact CB-CG1 3.88Å; F200-V274 HydrophobicContact CB-CG2 4.3Å; L201-V274 HydrophobicContact CB-CG1 4.45Å; L201-V274 HydrophobicContact CD2-CB 4.02Å; L201-V274 HydrophobicContact CD2-CG1 3.62Å; L201-V274 HydrophobicContact CG-CG1 3.7Å; V204-V274 HydrophobicContact CG2-CG2 3.79Å; V204-V274 WeakPolarHBondContact O-CG2 3.28Å; D205-V274 PolarHBondContact O-N 2.82Å; L207-V274 HydrophobicContact CD1-CB 4.41Å; L207-V274 HydrophobicContact CD1-CG1 4.1Å; L207-V274 HydrophobicContact CD1-CG2 4.19Å; L207-V274 HydrophobicContact CG-CG2 4.13Å; V274-Q278 VanDerWaalsContact O-CB 3.27Å; V274-Q278 WeakPolarHBondContact O-CB 3.22Å; V274-Q278 PolarHBondContact O-N 3.22Å
275	Q	98.4	Very high	98.4	Very high	103 Å²	103	22.7 Å²	22.7	48%	0.481	11%	0.108	S	C	.	.	H	α-helix	trans	-64.2	-45.7	178.2	179.1	173.7	81.6	0	0	112.7	S273 Q278 R279	S273-Q275 PolarHBondContact O-N 2.9Å; S273-Q275 VanDerWaalsContact O-N 3.16Å; Q275-Q278 PolarHBondContact O-N 3.33Å; Q275-R279 WeakPolarHBondContact O-CG 3.39Å; Q275-R279 PolarHBondContact O-N 2.95Å
276	E	98.7	Very high	98.4	Very high	33 Å²	33	28.1 Å²	28.1	15%	0.154	13%	0.134	C	C	.	.	H	α-helix	trans	-71.7	-38.4	179.6	-71.8	-56	108	0	0	112.1	P227 L228 S273 Q278 R279 L280	P227-E276 HydrophobicContact CB-CG 4.21Å; P227-E276 WeakPolarHBondContact O-CB 3.26Å; P227-E276 VanDerWaalsContact O-CG 3.25Å; P227-E276 WeakPolarHBondContact O-CG 3.42Å; L228-E276 HydrophobicContact CB-CB 4.24Å; L228-E276 HydrophobicContact CB-CG 4.37Å; L228-E276 HydrophobicContact CD1-CB 4.48Å; S273-E276 PolarHBondContact O-N 3.46Å; S273-E276 VanDerWaalsContact O-N 3.14Å; S273-E276 PolarHBondContact OG-N 2.63Å; E276-Q278 VanDerWaalsContact C-N 3.32Å; E276-Q278 PolarHBondContact O-N 3.18Å; E276-R279 PolarHBondContact O-N 2.94Å; E276-R279 VanDerWaalsContact OE1-CD 3.26Å; E276-R279 WeakPolarHBondContact OE1-CD 3.44Å; E276-R279 IonicContact OE1-CZ 2.75Å; E276-R279 IonicContact OE1-NE 2.74Å; E276-R279 IonicContact OE1-NH1 3.3Å; E276-R279 PolarHBondContact OE1-NH1 2.83Å; E276-L280 WeakPolarHBondContact O-CB 3.3Å; E276-L280 PolarHBondContact O-N 3.43Å
277	V	98.8	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-39.5	174.3	173.7	0	0	0	0	110.7	I192 L207 G272 S273 T281	I192-V277 HydrophobicContact CG2-CG1 3.82Å; L207-V277 HydrophobicContact CB-CB 4.23Å; L207-V277 HydrophobicContact CB-CG1 4.11Å; L207-V277 HydrophobicContact CB-CG2 4Å; L207-V277 HydrophobicContact CD1-CB 4.17Å; L207-V277 HydrophobicContact CD1-CG1 3.86Å; G272-V277 VanDerWaalsContact N-CG2 3.33Å; S273-V277 WeakPolarHBondContact O-CG2 3.42Å; S273-V277 PolarHBondContact O-N 2.84Å; V277-T281 HydrophobicContact CG1-CG2 4.07Å; V277-T281 VanDerWaalsContact O-CB 3.31Å; V277-T281 WeakPolarHBondContact O-CB 3.21Å; V277-T281 VanDerWaalsContact O-CG2 3.24Å; V277-T281 WeakPolarHBondContact O-CG2 3.26Å; V277-T281 PolarHBondContact O-N 3.29Å; V277-T281 PolarHBondContact O-OG1 3.34Å
278	Q	98.6	Very high	98.6	Very high	27 Å²	27	28.8 Å²	28.8	13%	0.126	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-44.7	172.7	-171.5	-166.1	63.3	0	0	111.8	C196 V274 Q275 E276 T281 R282	C196-Q278 HydrophobicContact CB-CB 3.78Å; C196-Q278 HydrophobicContact CB-CG 3.76Å; V274-Q278 VanDerWaalsContact O-CB 3.27Å; V274-Q278 WeakPolarHBondContact O-CB 3.22Å; V274-Q278 PolarHBondContact O-N 3.22Å; Q275-Q278 PolarHBondContact O-N 3.33Å; E276-Q278 VanDerWaalsContact C-N 3.32Å; E276-Q278 PolarHBondContact O-N 3.18Å; Q278-T281 PolarHBondContact O-OG1 3.04Å; Q278-R282 VanDerWaalsContact NE2-NH2 3.16Å; Q278-R282 WeakPolarHBondContact O-CB 3.33Å; Q278-R282 PolarHBondContact O-N 3.1Å
279	R	98.7	Very high	98.7	Very high	114 Å²	114	31.4 Å²	31.4	43%	0.43	15%	0.153	S	C	.	.	H	α-helix	trans	-60.2	-49.6	177.6	-74.7	166.8	175.4	170	1.7	111.4	Q275 E276 A283 Y309	Q275-R279 WeakPolarHBondContact O-CG 3.39Å; Q275-R279 PolarHBondContact O-N 2.95Å; E276-R279 PolarHBondContact O-N 2.94Å; E276-R279 VanDerWaalsContact OE1-CD 3.26Å; E276-R279 WeakPolarHBondContact OE1-CD 3.44Å; E276-R279 IonicContact OE1-CZ 2.75Å; E276-R279 IonicContact OE1-NE 2.74Å; E276-R279 IonicContact OE1-NH1 3.3Å; E276-R279 PolarHBondContact OE1-NH1 2.83Å; R279-A283 WeakPolarHBondContact O-CB 3.46Å; R279-A283 PolarHBondContact O-N 3.43Å; R279-Y309 WeakPolarHBondContact CB-OH 3.46Å
280	L	98.8	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-54.3	177.8	-179.1	157.1	0	0	0	111.7	M189 L228 F270 E276 A283 C284 L306 Y309 L310	M189-L280 HydrophobicContact CE-CD2 4.48Å; M189-L280 HydrophobicContact SD-CD2 4.13Å; L228-L280 HydrophobicContact CD1-CD1 3.7Å; F270-L280 HydrophobicContact CD2-CD1 4.38Å; F270-L280 HydrophobicContact CD2-CD2 4.08Å; F270-L280 HydrophobicContact CE2-CD2 3.84Å; F270-L280 HydrophobicContact CZ-CD2 4.48Å; E276-L280 WeakPolarHBondContact O-CB 3.3Å; E276-L280 PolarHBondContact O-N 3.43Å; L280-A283 PolarHBondContact O-N 2.75Å; L280-C284 WeakPolarHBondContact O-CB 3.38Å; L280-C284 PolarHBondContact O-N 3.18Å; L280-C284 PolarHBondContact O-SG 2.89Å; L280-L306 HydrophobicContact CD1-CD1 3.73Å; L280-L306 HydrophobicContact CD2-CD1 4.05Å; L280-L306 HydrophobicContact CG-CD1 4.27Å; L280-Y309 HydrophobicContact CB-CD1 3.93Å; L280-Y309 HydrophobicContact CB-CE1 3.6Å; L280-Y309 HydrophobicContact CB-CE2 4.4Å; L280-Y309 HydrophobicContact CB-CG 4.46Å; L280-Y309 HydrophobicContact CD1-CD1 3.73Å; L280-Y309 HydrophobicContact CD1-CE1 3.94Å; L280-Y309 HydrophobicContact CG-CD1 3.62Å; L280-Y309 HydrophobicContact CG-CE1 3.84Å; L280-Y309 HydrophobicContact CG-CG 4.09Å; L280-L310 HydrophobicContact CD1-CD2 4.2Å
281	T	98.8	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68	-40.5	-172.8	54.4	0	0	0	0	111.7	M189 I192 S193 F270 V277 Q278 H285	M189-T281 WeakPolarHBondContact O-CB 3.42Å; M189-T281 HydrophobicContact SD-CG2 3.81Å; I192-T281 HydrophobicContact CB-CG2 4.01Å; I192-T281 HydrophobicContact CD1-CG2 4.42Å; I192-T281 HydrophobicContact CG2-CG2 3.8Å; S193-T281 WeakPolarHBondContact CB-OG1 3.38Å; F270-T281 HydrophobicContact CE2-CG2 3.99Å; F270-T281 HydrophobicContact CZ-CG2 4.29Å; V277-T281 HydrophobicContact CG1-CG2 4.07Å; V277-T281 VanDerWaalsContact O-CB 3.31Å; V277-T281 WeakPolarHBondContact O-CB 3.21Å; V277-T281 VanDerWaalsContact O-CG2 3.24Å; V277-T281 WeakPolarHBondContact O-CG2 3.26Å; V277-T281 PolarHBondContact O-N 3.29Å; V277-T281 PolarHBondContact O-OG1 3.34Å; Q278-T281 PolarHBondContact O-OG1 3.04Å; T281-H285 WeakPolarHBondContact O-CB 3.23Å; T281-H285 PolarHBondContact O-N 3.14Å
282	R	98.7	Very high	98.7	Very high	74 Å²	74	39.8 Å²	39.8	28%	0.279	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-45.6	172.6	-169.4	-173.4	-68.2	123.8	-8.6	111.8	E197 Q278 H285 Q286	E197-R282 IonicContact OE1-CZ 3.7Å; E197-R282 IonicContact OE1-NE 3.99Å; E197-R282 IonicContact OE1-NH2 2.64Å; E197-R282 PolarHBondContact OE1-NH2 2.67Å; Q278-R282 VanDerWaalsContact NE2-NH2 3.16Å; Q278-R282 WeakPolarHBondContact O-CB 3.33Å; Q278-R282 PolarHBondContact O-N 3.1Å; R282-H285 PolarHBondContact O-N 3.15Å; R282-Q286 WeakPolarHBondContact O-CB 3.12Å; R282-Q286 WeakPolarHBondContact O-CG 3.44Å; R282-Q286 PolarHBondContact O-N 3.35Å
283	A	98.8	Very high	98.7	Very high	34 Å²	34	43.9 Å²	43.9	28%	0.281	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-43.2	179.8	0	0	0	0	0	112.3	R279 L280 Q286 A287 Y309	R279-A283 WeakPolarHBondContact O-CB 3.46Å; R279-A283 PolarHBondContact O-N 3.43Å; L280-A283 PolarHBondContact O-N 2.75Å; A283-Q286 PolarHBondContact O-N 2.98Å; A283-A287 WeakPolarHBondContact O-CB 3.36Å; A283-A287 PolarHBondContact O-N 2.76Å; A283-Y309 HydrophobicContact CB-CD2 3.73Å; A283-Y309 HydrophobicContact CB-CE2 3.7Å
284	C	98.8	Very high	98.7	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.02	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-44.9	173.9	-71	0	0	0	0	111.5	M189 L280 A287 M288 H305	M189-C284 HydrophobicContact CB-CB 4.34Å; M189-C284 HydrophobicContact CG-CB 3.95Å; M189-C284 HydrophobicContact SD-CB 4.01Å; L280-C284 WeakPolarHBondContact O-CB 3.38Å; L280-C284 PolarHBondContact O-N 3.18Å; L280-C284 PolarHBondContact O-SG 2.89Å; C284-A287 PolarHBondContact O-N 3.22Å; C284-M288 WeakPolarHBondContact O-CE 3.31Å; C284-M288 WeakPolarHBondContact O-CG 3.2Å; C284-M288 PolarHBondContact O-N 2.96Å; C284-H305 HydrophobicContact CB-CB 4.12Å
285	H	98.7	Very high	98.7	Very high	34 Å²	34	50.7 Å²	50.7	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-49	176.5	172.8	60.7	0	0	0	112.2	M189 E190 T281 R282 A287 M288 M289	M189-H285 HydrophobicContact CB-CB 4.2Å; E190-H285 VanDerWaalsContact CD-CE1 3.45Å; E190-H285 IonicContact OE2-CE1 3.5Å; E190-H285 PolarHBondContact OE2-CE1 3.24Å; E190-H285 IonicContact OE2-ND1 3.86Å; T281-H285 WeakPolarHBondContact O-CB 3.23Å; T281-H285 PolarHBondContact O-N 3.14Å; R282-H285 PolarHBondContact O-N 3.15Å; H285-A287 VanDerWaalsContact C-N 3.33Å; H285-A287 PolarHBondContact O-N 3.03Å; H285-M288 WeakPolarHBondContact O-CB 3.43Å; H285-M288 PolarHBondContact O-N 3.35Å; H285-M288 VanDerWaalsContact O-N 3.15Å; H285-M289 VanDerWaalsContact CE1-SD 3.56Å; H285-M289 WeakPolarHBondContact O-CG 3.44Å; H285-M289 PolarHBondContact O-N 3.38Å
286	Q	98.8	Very high	98.7	Very high	115 Å²	115	47 Å²	47	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-59	-43	176.9	-73.6	174.7	-21.2	0	0	112	R282 A283 M288 M289 V290	R282-Q286 WeakPolarHBondContact O-CB 3.12Å; R282-Q286 WeakPolarHBondContact O-CG 3.44Å; R282-Q286 PolarHBondContact O-N 3.35Å; A283-Q286 PolarHBondContact O-N 2.98Å; Q286-M288 PolarHBondContact O-N 3.5Å; Q286-M289 PolarHBondContact O-N 3.45Å; Q286-M289 VanDerWaalsContact O-N 3.16Å; Q286-V290 PolarHBondContact O-N 3.46Å; Q286-V290 VanDerWaalsContact O-N 3.07Å
287	A	98.8	Very high	98.7	Very high	23 Å²	23	48.3 Å²	48.3	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-40.4	175.3	0	0	0	0	0	112.6	Q253 A283 C284 H285 M289 V290 D291 H305	Q253-A287 HydrophobicContact CB-CB 3.81Å; Q253-A287 HydrophobicContact CG-CB 4.37Å; A283-A287 WeakPolarHBondContact O-CB 3.36Å; A283-A287 PolarHBondContact O-N 2.76Å; C284-A287 PolarHBondContact O-N 3.22Å; H285-A287 VanDerWaalsContact C-N 3.33Å; H285-A287 PolarHBondContact O-N 3.03Å; A287-M289 VanDerWaalsContact C-N 3.33Å; A287-M289 PolarHBondContact O-N 3.28Å; A287-V290 PolarHBondContact O-N 3.12Å; A287-D291 PolarHBondContact O-N 2.91Å; A287-D291 VanDerWaalsContact O-N 3.07Å; A287-H305 WeakPolarHBondContact CB-ND1 3.38Å
288	M	98.7	Very high	98.7	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-33.6	173.5	-74.6	-177.5	-66.4	0	0	112.6	M186 M189 C284 H285 Q286 D291 Q292 D302 H305	M186-M288 HydrophobicContact CB-CE 4.29Å; M186-M288 HydrophobicContact CB-SD 3.54Å; M186-M288 VanDerWaalsContact CB-SD 3.54Å; M186-M288 HydrophobicContact CG-SD 3.55Å; M186-M288 VanDerWaalsContact CG-SD 3.55Å; M186-M288 VanDerWaalsContact O-CE 3.28Å; M186-M288 WeakPolarHBondContact O-CE 3.39Å; M186-M288 HydrophobicContact SD-SD 3.87Å; M189-M288 HydrophobicContact CB-CE 3.69Å; M189-M288 HydrophobicContact CG-CE 3.66Å; C284-M288 WeakPolarHBondContact O-CE 3.31Å; C284-M288 WeakPolarHBondContact O-CG 3.2Å; C284-M288 PolarHBondContact O-N 2.96Å; H285-M288 WeakPolarHBondContact O-CB 3.43Å; H285-M288 PolarHBondContact O-N 3.35Å; H285-M288 VanDerWaalsContact O-N 3.15Å; Q286-M288 PolarHBondContact O-N 3.5Å; M288-D291 PolarHBondContact O-N 3.05Å; M288-Q292 WeakPolarHBondContact O-CB 3.14Å; M288-Q292 PolarHBondContact O-N 3.44Å; M288-D302 HydrophobicContact CE-CB 4.44Å; M288-D302 HydrophobicContact SD-CB 4.15Å; M288-H305 WeakPolarHBondContact CG-CD2 3.18Å; M288-H305 VanDerWaalsContact CG-NE2 3.3Å; M288-H305 WeakPolarHBondContact CG-NE2 3.29Å
289	M	98.6	Very high	98.7	Very high	54 Å²	54	50.5 Å²	50.5	27%	0.266	29%	0.286	S	S	.	.	H	α-helix	trans	-72.9	-34.1	177.5	-62.4	-49.7	83.9	0	0	112.2	R187 H285 Q286 A287 Q292 A293	R187-M289 PolarHBondContact NH1-SD 2.9Å; H285-M289 VanDerWaalsContact CE1-SD 3.56Å; H285-M289 WeakPolarHBondContact O-CG 3.44Å; H285-M289 PolarHBondContact O-N 3.38Å; Q286-M289 PolarHBondContact O-N 3.45Å; Q286-M289 VanDerWaalsContact O-N 3.16Å; A287-M289 VanDerWaalsContact C-N 3.33Å; A287-M289 PolarHBondContact O-N 3.28Å; M289-Q292 PolarHBondContact O-N 2.98Å; M289-Q292 PolarHBondContact SD-OE1 3.11Å; M289-A293 WeakPolarHBondContact O-CB 3.38Å; M289-A293 PolarHBondContact O-N 2.84Å
290	V	98.8	Very high	98.7	Very high	63 Å²	63	50.6 Å²	50.6	38%	0.382	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-43.8	171.4	173.9	0	0	0	0	110.8	Q253 Q286 A287 A293 N294	Q253-V290 HydrophobicContact CG-CB 3.78Å; Q253-V290 HydrophobicContact CG-CG1 3.61Å; Q286-V290 PolarHBondContact O-N 3.46Å; Q286-V290 VanDerWaalsContact O-N 3.07Å; A287-V290 PolarHBondContact O-N 3.12Å; V290-A293 PolarHBondContact O-N 3.25Å; V290-N294 WeakPolarHBondContact O-CB 3.43Å; V290-N294 PolarHBondContact O-N 3.2Å; V290-N294 PolarHBondContact O-ND2 3.29Å
291	D	98.8	Very high	98.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.011	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-44.6	175.6	-84.1	10.6	0	0	0	111.8	S252 Q253 A287 M288 A293 N294 G295 I296 H305	S252-D291 WeakPolarHBondContact CA-OD1 3.45Å; S252-D291 VanDerWaalsContact CB-OD2 3.31Å; S252-D291 WeakPolarHBondContact CB-OD2 3.37Å; S252-D291 PolarHBondContact OG-OD2 3.23Å; Q253-D291 WeakPolarHBondContact CG-OD1 3.45Å; Q253-D291 PolarHBondContact N-OD1 3.23Å; Q253-D291 PolarHBondContact N-OD2 3.37Å; A287-D291 PolarHBondContact O-N 2.91Å; A287-D291 VanDerWaalsContact O-N 3.07Å; M288-D291 PolarHBondContact O-N 3.05Å; D291-A293 VanDerWaalsContact C-N 3.32Å; D291-A293 PolarHBondContact O-N 3.2Å; D291-N294 CarbonylContact O-C 3.46Å; D291-N294 PolarHBondContact O-N 3.06Å; D291-N294 VanDerWaalsContact O-N 3.1Å; D291-G295 PolarHBondContact O-N 3.28Å; D291-G295 VanDerWaalsContact O-N 3.08Å; D291-I296 CarbonylContact C-O 3.59Å; D291-I296 HydrophobicContact CB-CG2 3.77Å; D291-I296 WeakPolarHBondContact O-CG2 3.37Å; D291-I296 PolarHBondContact O-N 3.12Å; D291-H305 IonicContact OD2-CE1 3.69Å; D291-H305 PolarHBondContact OD2-CE1 2.81Å; D291-H305 VanDerWaalsContact OD2-CE1 3.3Å; D291-H305 IonicContact OD2-NE2 3.73Å
292	Q	98.2	Very high	98.6	Very high	114 Å²	114	51.7 Å²	51.7	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-57.8	-43.1	174	-174.9	177	7.3	0	0	112.1	M288 M289 N294 G295	M288-Q292 WeakPolarHBondContact O-CB 3.14Å; M288-Q292 PolarHBondContact O-N 3.44Å; M289-Q292 PolarHBondContact O-N 2.98Å; M289-Q292 PolarHBondContact SD-OE1 3.11Å; Q292-N294 VanDerWaalsContact C-N 3.31Å; Q292-N294 PolarHBondContact O-N 3.4Å; Q292-G295 PolarHBondContact O-N 3.33Å
293	A	98.4	Very high	98.6	Very high	86 Å²	86	49.2 Å²	49.2	71%	0.711	28%	0.284	S	S	*	.	H	α-helix	trans	-66.8	-31.5	176.8	0	0	0	0	0	112.9	M289 V290 D291 G295	M289-A293 WeakPolarHBondContact O-CB 3.38Å; M289-A293 PolarHBondContact O-N 2.84Å; V290-A293 PolarHBondContact O-N 3.25Å; D291-A293 VanDerWaalsContact C-N 3.32Å; D291-A293 PolarHBondContact O-N 3.2Å; A293-G295 VanDerWaalsContact C-N 3.28Å
294	N	98.3	Very high	98.6	Very high	104 Å²	104	47.7 Å²	47.7	56%	0.556	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	2.6	174.8	-69	-27.7	0	0	0	113.7	V290 D291 Q292 I296	V290-N294 WeakPolarHBondContact O-CB 3.43Å; V290-N294 PolarHBondContact O-N 3.2Å; V290-N294 PolarHBondContact O-ND2 3.29Å; D291-N294 CarbonylContact O-C 3.46Å; D291-N294 PolarHBondContact O-N 3.06Å; D291-N294 VanDerWaalsContact O-N 3.1Å; Q292-N294 VanDerWaalsContact C-N 3.31Å; Q292-N294 PolarHBondContact O-N 3.4Å; N294-I296 VanDerWaalsContact C-N 3.33Å; N294-I296 HydrophobicContact CB-CG2 4.2Å; N294-I296 PolarHBondContact O-N 2.99Å
295	G	98.4	Very high	98.6	Very high	74 Å²	74	47.8 Å²	47.8	76%	0.763	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	25	179.6	0	0	0	0	0	114.5	D291 Q292 A293	D291-G295 PolarHBondContact O-N 3.28Å; D291-G295 VanDerWaalsContact O-N 3.08Å; Q292-G295 PolarHBondContact O-N 3.33Å; A293-G295 VanDerWaalsContact C-N 3.28Å
296	I	98.6	Very high	98.6	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.128	26%	0.263	C	S	.	.			trans	-119.9	146.3	178.5	-170	163.2	0	0	0	110.7	R249 Q251 D291 N294	R249-I296 HydrophobicContact CB-CD1 4.16Å; Q251-I296 HydrophobicContact CB-CD1 4.07Å; D291-I296 CarbonylContact C-O 3.59Å; D291-I296 HydrophobicContact CB-CG2 3.77Å; D291-I296 WeakPolarHBondContact O-CG2 3.37Å; D291-I296 PolarHBondContact O-N 3.12Å; N294-I296 VanDerWaalsContact C-N 3.33Å; N294-I296 HydrophobicContact CB-CG2 4.2Å; N294-I296 PolarHBondContact O-N 2.99Å
297	E	98.8	Very high	98.7	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	24%	0.238	S	C	.	.			trans	-126	129.2	171.1	-175.1	176.8	87.5	0	0	107.3	R180 M186 R249 H301	R180-E297 IonicContact CZ-OE1 3.82Å; R180-E297 IonicContact CZ-OE2 3.13Å; R180-E297 VanDerWaalsContact CZ-OE2 3.24Å; R180-E297 IonicContact NH1-OE1 3.35Å; R180-E297 IonicContact NH1-OE2 3.84Å; R180-E297 PolarHBondContact NH1-OE2 3Å; R180-E297 IonicContact NH2-OE1 2.76Å; R180-E297 PolarHBondContact NH2-OE1 3.35Å; R180-E297 IonicContact NH2-OE2 2.66Å; R180-E297 PolarHBondContact NH2-OE2 2.96Å; M186-E297 HydrophobicContact CE-CG 4.2Å; M186-E297 VanDerWaalsContact CE-OE2 3.3Å; M186-E297 WeakPolarHBondContact CE-OE2 3.31Å; M186-E297 HydrophobicContact SD-CG 4.2Å; R249-E297 PolarHBondContact NH2-O 3.39Å; E297-H301 IonicContact OE1-CD2 3.38Å; E297-H301 IonicContact OE1-NE2 3.56Å
298	A	98.7	Very high	98.7	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	24%	0.24	C	C	.	.			trans	-67.7	146.2	-174.8	0	0	0	0	0	112.3	E247 A254 W300 H301	E247-A298 WeakPolarHBondContact OE2-CA 3.49Å; A254-A298 HydrophobicContact CB-CB 3.92Å; A298-W300 VanDerWaalsContact C-N 3.28Å; A298-W300 PolarHBondContact O-N 3.5Å; A298-W300 VanDerWaalsContact O-N 3.12Å; A298-H301 PolarHBondContact O-N 2.92Å
299	V	98.6	Very high	98.7	Very high	70 Å²	70	42.6 Å²	42.6	42%	0.424	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.3	-168	63	0	0	0	0	115	E247	E247-V299 HydrophobicContact CB-CG1 4.32Å; E247-V299 PolarHBondContact OE2-N 2.52Å
300	W	98.6	Very high	98.7	Very high	117 Å²	117	40 Å²	40	44%	0.443	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	35.3	172.5	-65.8	110.7	0	0	0	112.1	T245 Y264 A298 D302 E303 S304	T245-W300 VanDerWaalsContact CB-NE1 3.31Å; T245-W300 VanDerWaalsContact O-CD1 3.28Å; T245-W300 PolarHBondContact OG1-NE1 2.66Å; T245-W300 VanDerWaalsContact OG1-NE1 3.15Å; Y264-W300 VanDerWaalsContact OH-CD1 3.23Å; A298-W300 VanDerWaalsContact C-N 3.28Å; A298-W300 PolarHBondContact O-N 3.5Å; A298-W300 VanDerWaalsContact O-N 3.12Å; W300-D302 PolarHBondContact O-N 3.1Å; W300-E303 HydrophobicContact CB-CB 4.26Å; W300-E303 WeakPolarHBondContact O-CB 3.45Å; W300-E303 PolarHBondContact O-N 3.15Å; W300-E303 VanDerWaalsContact O-N 3.09Å; W300-S304 WeakPolarHBondContact CA-OG 3.37Å; W300-S304 PolarHBondContact N-OG 2.86Å
301	H	98.6	Very high	98.7	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.093	21%	0.213	C	C	.	.	H	α-helix	trans	55.3	-133.8	169.2	-38.4	94.7	0	0	0	111.2	W181 Q182 M186 E297 A298 E303 S304 H305	W181-H301 AromaticContact CH2-CE1 3.36Å; W181-H301 WeakPolarHBondContact CH2-CE1 3.46Å; W181-H301 AromaticContact CH2-ND1 3.83Å; W181-H301 AromaticContact CZ3-CE1 3.93Å; W181-H301 AromaticContact CZ3-ND1 3.97Å; Q182-H301 VanDerWaalsContact CG-CD2 3.45Å; Q182-H301 WeakPolarHBondContact CG-CD2 3.28Å; Q182-H301 WeakPolarHBondContact CG-NE2 3.5Å; M186-H301 HydrophobicContact CG-CB 3.72Å; M186-H301 HydrophobicContact SD-CB 4.13Å; E297-H301 IonicContact OE1-CD2 3.38Å; E297-H301 IonicContact OE1-NE2 3.56Å; A298-H301 PolarHBondContact O-N 2.92Å; H301-E303 VanDerWaalsContact C-N 3.25Å; H301-E303 PolarHBondContact O-N 3.27Å; H301-S304 WeakPolarHBondContact O-CB 3.24Å; H301-S304 PolarHBondContact O-N 3.36Å; H301-H305 PolarHBondContact O-CD2 3.27Å; H301-H305 VanDerWaalsContact O-CD2 3.31Å
302	D	98.6	Very high	98.7	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-28.4	178.2	49.7	-62.3	0	0	0	114.7	S185 M186 R188 M189 M288 W300 S304 H305 L306	S185-D302 VanDerWaalsContact C-OD1 3.27Å; S185-D302 VanDerWaalsContact CB-OD1 3.25Å; S185-D302 WeakPolarHBondContact CB-OD1 3.23Å; S185-D302 PolarHBondContact OG-OD1 2.79Å; S185-D302 PolarHBondContact OG-OD2 2.91Å; M186-D302 PolarHBondContact N-OD1 3.38Å; R188-D302 IonicContact CZ-OD2 2.68Å; R188-D302 IonicContact NE-OD2 3.39Å; R188-D302 IonicContact NH2-OD2 2.66Å; R188-D302 PolarHBondContact NH2-OD2 3.01Å; M189-D302 HydrophobicContact CE-CB 3.92Å; M189-D302 HydrophobicContact CG-CB 4.19Å; M288-D302 HydrophobicContact CE-CB 4.44Å; M288-D302 HydrophobicContact SD-CB 4.15Å; W300-D302 PolarHBondContact O-N 3.1Å; D302-S304 VanDerWaalsContact C-N 3.3Å; D302-S304 PolarHBondContact O-N 2.91Å; D302-H305 PolarHBondContact O-N 3.04Å; D302-L306 WeakPolarHBondContact O-CB 3.43Å; D302-L306 PolarHBondContact O-N 3.19Å
303	E	98.8	Very high	98.7	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-34.2	174.8	-177.4	174	91.1	0	0	111.8	H233 Y264 Y265 L266 G267 W300 H301 L306 N307	H233-E303 IonicContact CD2-OE2 2.69Å; Y264-E303 HydrophobicContact CE1-CG 4.39Å; Y264-E303 WeakPolarHBondContact CE1-OE1 3.26Å; Y264-E303 VanDerWaalsContact CZ-OE1 3.24Å; Y264-E303 PolarHBondContact OH-OE1 3.42Å; Y265-E303 WeakPolarHBondContact O-CG 3.47Å; L266-E303 VanDerWaalsContact CA-OE2 3.3Å; L266-E303 WeakPolarHBondContact CA-OE2 3.45Å; G267-E303 PolarHBondContact N-OE2 2.94Å; W300-E303 HydrophobicContact CB-CB 4.26Å; W300-E303 WeakPolarHBondContact O-CB 3.45Å; W300-E303 PolarHBondContact O-N 3.15Å; W300-E303 VanDerWaalsContact O-N 3.09Å; H301-E303 VanDerWaalsContact C-N 3.25Å; H301-E303 PolarHBondContact O-N 3.27Å; E303-L306 PolarHBondContact O-N 2.85Å; E303-N307 WeakPolarHBondContact O-CB 3.24Å; E303-N307 PolarHBondContact O-N 2.82Å; E303-N307 PolarHBondContact O-ND2 2.66Å
304	S	98.8	Very high	98.7	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-66.1	-41.3	175	-62.5	0	0	0	0	111.5	W300 H301 D302 K308	W300-S304 WeakPolarHBondContact CA-OG 3.37Å; W300-S304 PolarHBondContact N-OG 2.86Å; H301-S304 WeakPolarHBondContact O-CB 3.24Å; H301-S304 PolarHBondContact O-N 3.36Å; D302-S304 VanDerWaalsContact C-N 3.3Å; D302-S304 PolarHBondContact O-N 2.91Å; S304-K308 PolarHBondContact O-N 3Å; S304-K308 VanDerWaalsContact O-N 3.15Å
305	H	98.9	Very high	98.8	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.023	19%	0.186	C	C	.	.	H	α-helix	trans	-70.6	-37.7	176.1	-64.9	-85.8	0	0	0	112.2	C284 A287 M288 D291 H301 D302 K308 Y309	C284-H305 HydrophobicContact CB-CB 4.12Å; A287-H305 WeakPolarHBondContact CB-ND1 3.38Å; M288-H305 WeakPolarHBondContact CG-CD2 3.18Å; M288-H305 VanDerWaalsContact CG-NE2 3.3Å; M288-H305 WeakPolarHBondContact CG-NE2 3.29Å; D291-H305 IonicContact OD2-CE1 3.69Å; D291-H305 PolarHBondContact OD2-CE1 2.81Å; D291-H305 VanDerWaalsContact OD2-CE1 3.3Å; D291-H305 IonicContact OD2-NE2 3.73Å; H301-H305 PolarHBondContact O-CD2 3.27Å; H301-H305 VanDerWaalsContact O-CD2 3.31Å; D302-H305 PolarHBondContact O-N 3.04Å; H305-K308 PolarHBondContact O-N 2.98Å; H305-Y309 PolarHBondContact O-N 3.45Å
306	L	98.9	Very high	98.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-49.5	172.8	173.7	65.4	0	0	0	111.4	L266 F270 L280 D302 E303 K308 Y309 L310	L266-L306 VanDerWaalsContact O-CD2 3.31Å; L266-L306 WeakPolarHBondContact O-CD2 3.38Å; F270-L306 HydrophobicContact CB-CD1 4.35Å; F270-L306 HydrophobicContact CB-CD2 4.41Å; F270-L306 HydrophobicContact CD1-CD2 4.2Å; F270-L306 HydrophobicContact CG-CD1 4.33Å; L280-L306 HydrophobicContact CD1-CD1 3.73Å; L280-L306 HydrophobicContact CD2-CD1 4.05Å; L280-L306 HydrophobicContact CG-CD1 4.27Å; D302-L306 WeakPolarHBondContact O-CB 3.43Å; D302-L306 PolarHBondContact O-N 3.19Å; E303-L306 PolarHBondContact O-N 2.85Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.27Å; L306-Y309 PolarHBondContact O-N 3.03Å; L306-Y309 VanDerWaalsContact O-N 3.14Å; L306-L310 HydrophobicContact CD1-CD1 3.78Å; L306-L310 HydrophobicContact CD1-CG 4Å; L306-L310 HydrophobicContact CG-CD1 4.04Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 3.2Å
307	N	98.9	Very high	98.8	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.011	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-41.7	178.2	-84.6	-77.6	0	0	0	112.1	Y246 I256 Y265 E303 L310 L311	Y246-N307 HydrophobicContact CD1-CB 3.81Å; Y246-N307 HydrophobicContact CE1-CB 3.77Å; Y246-N307 WeakPolarHBondContact CE1-OD1 3.26Å; I256-N307 HydrophobicContact CD1-CB 4.33Å; Y265-N307 PolarHBondContact N-OD1 3.12Å; Y265-N307 PolarHBondContact O-ND2 3.35Å; E303-N307 WeakPolarHBondContact O-CB 3.24Å; E303-N307 PolarHBondContact O-N 2.82Å; E303-N307 PolarHBondContact O-ND2 2.66Å; N307-L310 PolarHBondContact O-N 3.31Å; N307-L311 WeakPolarHBondContact O-CB 3.24Å; N307-L311 PolarHBondContact O-N 3.02Å
308	K	98.9	Very high	98.8	Very high	51 Å²	51	33.6 Å²	33.6	22%	0.222	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-41.7	173.3	178.1	58.5	165.6	-76.8	0	112.4	Q253 Y255 I256 S304 H305 L306 R312	Q253-K308 WeakPolarHBondContact O-CG 3.41Å; Q253-K308 PolarHBondContact O-NZ 2.81Å; Y255-K308 PolarHBondContact O-NZ 2.68Å; I256-K308 HydrophobicContact CD1-CB 4.46Å; I256-K308 HydrophobicContact CG1-CD 4.14Å; S304-K308 PolarHBondContact O-N 3Å; S304-K308 VanDerWaalsContact O-N 3.15Å; H305-K308 PolarHBondContact O-N 2.98Å; L306-K308 VanDerWaalsContact C-N 3.32Å; L306-K308 PolarHBondContact O-N 3.27Å; K308-R312 WeakPolarHBondContact O-CG 3.09Å; K308-R312 PolarHBondContact O-N 3.47Å
309	Y	98.9	Very high	98.8	Very high	19 Å²	19	33.5 Å²	33.5	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-50.4	177.1	-174.9	-88.5	0	0	0	111.2	L228 R279 L280 A283 H305 L306 L311 R312 H313	L228-Y309 HydrophobicContact CD2-CE1 4.03Å; R279-Y309 WeakPolarHBondContact CB-OH 3.46Å; L280-Y309 HydrophobicContact CB-CD1 3.93Å; L280-Y309 HydrophobicContact CB-CE1 3.6Å; L280-Y309 HydrophobicContact CB-CE2 4.4Å; L280-Y309 HydrophobicContact CB-CG 4.46Å; L280-Y309 HydrophobicContact CD1-CD1 3.73Å; L280-Y309 HydrophobicContact CD1-CE1 3.94Å; L280-Y309 HydrophobicContact CG-CD1 3.62Å; L280-Y309 HydrophobicContact CG-CE1 3.84Å; L280-Y309 HydrophobicContact CG-CG 4.09Å; A283-Y309 HydrophobicContact CB-CD2 3.73Å; A283-Y309 HydrophobicContact CB-CE2 3.7Å; H305-Y309 PolarHBondContact O-N 3.45Å; L306-Y309 PolarHBondContact O-N 3.03Å; L306-Y309 VanDerWaalsContact O-N 3.14Å; Y309-L311 VanDerWaalsContact C-N 3.35Å; Y309-L311 PolarHBondContact O-N 3.49Å; Y309-R312 CarbonylContact O-C 3.55Å; Y309-R312 PolarHBondContact O-N 3.12Å; Y309-R312 VanDerWaalsContact O-N 3.1Å; Y309-H313 HydrophobicContact CD1-CB 4.14Å; Y309-H313 AromaticContact CD2-CE1 3.92Å; Y309-H313 AromaticContact CD2-ND1 3.47Å; Y309-H313 WeakPolarHBondContact CD2-ND1 2.84Å; Y309-H313 HydrophobicContact CE1-CB 3.68Å; Y309-H313 AromaticContact CE1-CG 3.95Å; Y309-H313 AromaticContact CE1-ND1 3.89Å; Y309-H313 AromaticContact CE2-CE1 3.66Å; Y309-H313 AromaticContact CE2-CG 3.96Å; Y309-H313 AromaticContact CE2-ND1 3.34Å; Y309-H313 VanDerWaalsContact CE2-ND1 3.34Å; Y309-H313 WeakPolarHBondContact CE2-ND1 3.26Å; Y309-H313 AromaticContact CG-ND1 3.81Å; Y309-H313 AromaticContact CZ-CG 3.71Å; Y309-H313 AromaticContact CZ-ND1 3.57Å; Y309-H313 PolarHBondContact O-N 2.94Å; Y309-H313 PolarHBondContact O-ND1 2.98Å; Y309-H313 VanDerWaalsContact O-ND1 3.16Å
310	L	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-69.3	-28	-177.5	-66.3	179.3	0	0	0	113.7	L228 Y265 L280 L306 N307 R312 H313 P315	L228-L310 HydrophobicContact CD1-CD2 4.23Å; L228-L310 HydrophobicContact CD2-CD2 3.9Å; L228-L310 HydrophobicContact CG-CD2 4.1Å; Y265-L310 HydrophobicContact CD1-CD1 4Å; Y265-L310 HydrophobicContact CD2-CB 3.75Å; Y265-L310 HydrophobicContact CD2-CD1 3.6Å; Y265-L310 HydrophobicContact CD2-CG 4.33Å; Y265-L310 HydrophobicContact CE1-CD1 4.43Å; Y265-L310 HydrophobicContact CE2-CB 3.64Å; Y265-L310 HydrophobicContact CE2-CD1 4.06Å; Y265-L310 HydrophobicContact CG-CD1 3.55Å; L280-L310 HydrophobicContact CD1-CD2 4.2Å; L306-L310 HydrophobicContact CD1-CD1 3.78Å; L306-L310 HydrophobicContact CD1-CG 4Å; L306-L310 HydrophobicContact CG-CD1 4.04Å; L306-L310 WeakPolarHBondContact O-CG 3.25Å; L306-L310 PolarHBondContact O-N 3.2Å; N307-L310 PolarHBondContact O-N 3.31Å; L310-R312 VanDerWaalsContact C-N 3.27Å; L310-R312 PolarHBondContact O-N 2.7Å; L310-H313 WeakPolarHBondContact CA-O 3.36Å; L310-H313 CarbonylContact O-C 3.5Å; L310-P315 HydrophobicContact CD2-CB 4.14Å; L310-P315 HydrophobicContact CD2-CG 4.32Å
311	L	98.8	Very high	98.8	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.052	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-35.8	169.9	175.2	62	0	0	0	112	I256 E260 D262 N307 Y309 K314	I256-L311 HydrophobicContact CB-CD2 4.37Å; I256-L311 HydrophobicContact CD1-CD2 3.86Å; I256-L311 HydrophobicContact CG1-CD2 3.88Å; I256-L311 HydrophobicContact CG2-CD2 3.63Å; E260-L311 HydrophobicContact CB-CD2 4.32Å; D262-L311 WeakPolarHBondContact OD2-CD1 3.46Å; N307-L311 WeakPolarHBondContact O-CB 3.24Å; N307-L311 PolarHBondContact O-N 3.02Å; Y309-L311 VanDerWaalsContact C-N 3.35Å; Y309-L311 PolarHBondContact O-N 3.49Å; L311-K314 PolarHBondContact O-NZ 2.93Å
312	R	98.8	Very high	98.8	Very high	127 Å²	127	23.6 Å²	23.6	48%	0.479	11%	0.106	S	C	.	.	H	α-helix	trans	-95.4	-27.4	-177	-60.9	-61.3	179.6	-131.4	0.1	113.5	E260 K308 Y309 L310	E260-R312 VanDerWaalsContact CD-NH2 3.29Å; E260-R312 IonicContact OE1-CZ 2.94Å; E260-R312 IonicContact OE1-NH2 3.12Å; E260-R312 PolarHBondContact OE1-NH2 2.83Å; E260-R312 IonicContact OE2-CZ 2.78Å; E260-R312 IonicContact OE2-NH1 3.57Å; E260-R312 PolarHBondContact OE2-NH1 2.87Å; E260-R312 IonicContact OE2-NH2 3.54Å; E260-R312 PolarHBondContact OE2-NH2 2.95Å; K308-R312 WeakPolarHBondContact O-CG 3.09Å; K308-R312 PolarHBondContact O-N 3.47Å; Y309-R312 CarbonylContact O-C 3.55Å; Y309-R312 PolarHBondContact O-N 3.12Å; Y309-R312 VanDerWaalsContact O-N 3.1Å; L310-R312 VanDerWaalsContact C-N 3.27Å; L310-R312 PolarHBondContact O-N 2.7Å
313	H	98.8	Very high	98.8	Very high	94 Å²	94	23.5 Å²	23.5	44%	0.435	11%	0.105	S	C	.	.	S	Bend	trans	-123	89.4	177.1	-50.4	93.4	0	0	0	107.9	Y309 L310	Y309-H313 HydrophobicContact CD1-CB 4.14Å; Y309-H313 AromaticContact CD2-CE1 3.92Å; Y309-H313 AromaticContact CD2-ND1 3.47Å; Y309-H313 WeakPolarHBondContact CD2-ND1 2.84Å; Y309-H313 HydrophobicContact CE1-CB 3.68Å; Y309-H313 AromaticContact CE1-CG 3.95Å; Y309-H313 AromaticContact CE1-ND1 3.89Å; Y309-H313 AromaticContact CE2-CE1 3.66Å; Y309-H313 AromaticContact CE2-CG 3.96Å; Y309-H313 AromaticContact CE2-ND1 3.34Å; Y309-H313 VanDerWaalsContact CE2-ND1 3.34Å; Y309-H313 WeakPolarHBondContact CE2-ND1 3.26Å; Y309-H313 AromaticContact CG-ND1 3.81Å; Y309-H313 AromaticContact CZ-CG 3.71Å; Y309-H313 AromaticContact CZ-ND1 3.57Å; Y309-H313 PolarHBondContact O-N 2.94Å; Y309-H313 PolarHBondContact O-ND1 2.98Å; Y309-H313 VanDerWaalsContact O-ND1 3.16Å; L310-H313 WeakPolarHBondContact CA-O 3.36Å; L310-H313 CarbonylContact O-C 3.5Å
314	K	98.9	Very high	98.8	Very high	76 Å²	76	22.9 Å²	22.9	33%	0.33	10%	0.103	S	C	.	.			trans	-60.2	128.3	-170.1	-60.6	-53	-166	-167.6	0	111	W90 D262 L311	W90-K314 HydrophobicContact CD2-CB 3.99Å; W90-K314 HydrophobicContact CD2-CD 4.17Å; W90-K314 HydrophobicContact CD2-CG 4.04Å; W90-K314 HydrophobicContact CE3-CD 4.15Å; W90-K314 HydrophobicContact CE3-CG 4.42Å; W90-K314 HydrophobicContact CG-CB 3.96Å; W90-K314 HydrophobicContact CG-CG 4.16Å; W90-K314 HydrophobicContact CH2-CD 4.34Å; W90-K314 HydrophobicContact CZ2-CB 4.4Å; W90-K314 HydrophobicContact CZ2-CD 4.38Å; W90-K314 HydrophobicContact CZ3-CD 4.25Å; D262-K314 VanDerWaalsContact CG-NZ 3.26Å; D262-K314 IonicContact OD1-NZ 3.85Å; D262-K314 PolarHBondContact OD1-NZ 3.35Å; D262-K314 VanDerWaalsContact OD1-NZ 3.13Å; D262-K314 IonicContact OD2-NZ 3.87Å; D262-K314 PolarHBondContact OD2-NZ 2.8Å; L311-K314 PolarHBondContact O-NZ 2.93Å
315	P	98.8	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.			trans	-68.5	141.7	178.3	27.6	-34	0	0	0	111.3	W90 A92 L228 Y265 L310 K317 V318	W90-P315 HydrophobicContact CZ2-CG 4.16Å; W90-P315 PolarHBondContact NE1-O 3.41Å; A92-P315 WeakPolarHBondContact CB-O 3.36Å; L228-P315 HydrophobicContact CG-CB 4.25Å; L228-P315 CarbonylContact O-C 3.26Å; L228-P315 WeakPolarHBondContact O-CA 3.39Å; Y265-P315 HydrophobicContact CE1-CG 4.18Å; Y265-P315 WeakPolarHBondContact OH-CG 3.5Å; L310-P315 HydrophobicContact CD2-CB 4.14Å; L310-P315 HydrophobicContact CD2-CG 4.32Å; P315-K317 WeakPolarHBondContact CB-O 3.38Å; P315-V318 HydrophobicContact CG-CG2 3.88Å
316	T	98.8	Very high	98.8	Very high	56 Å²	56	24.4 Å²	24.4	34%	0.344	11%	0.111	S	C	.	.	S	Bend	trans	-81	-12.7	-178	53.2	0	0	0	0	113.8	A92 P93 T226 P227 L228	A92-T316 WeakPolarHBondContact CB-O 3.41Å; P93-T316 WeakPolarHBondContact CD-O 3.48Å; T226-T316 WeakPolarHBondContact CG2-OG1 3.35Å; T226-T316 WeakPolarHBondContact OG1-CB 3.35Å; T226-T316 PolarHBondContact OG1-OG1 3.38Å; P227-T316 HydrophobicContact CB-CG2 4.37Å; P227-T316 WeakPolarHBondContact CD-OG1 3.17Å; L228-T316 PolarHBondContact N-OG1 3.5Å; L228-T316 PolarHBondContact O-N 3.31Å; L228-T316 PolarHBondContact O-OG1 3.07Å
317	K	98.9	Very high	98.7	Very high	30 Å²	30	27.9 Å²	27.9	13%	0.13	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.7	156	-66.9	179.3	-177	170.5	0	109.5	P93 V95 E223 L225 T226 L228 F229 P315	P93-K317 HydrophobicContact CB-CG 4.49Å; P93-K317 HydrophobicContact CG-CG 4.47Å; P93-K317 WeakPolarHBondContact O-CA 3.21Å; V95-K317 HydrophobicContact CG2-CB 4.37Å; V95-K317 HydrophobicContact CG2-CD 4.12Å; E223-K317 WeakPolarHBondContact O-CD 3.4Å; E223-K317 PolarHBondContact O-NZ 2.69Å; L225-K317 WeakPolarHBondContact O-CE 3.21Å; L225-K317 PolarHBondContact O-NZ 3.35Å; T226-K317 HydrophobicContact CG2-CB 3.74Å; T226-K317 HydrophobicContact CG2-CD 4.04Å; T226-K317 HydrophobicContact CG2-CG 3.8Å; L228-K317 PolarHBondContact O-N 3Å; F229-K317 VanDerWaalsContact CA-O 3.26Å; F229-K317 WeakPolarHBondContact CA-O 3.3Å; F229-K317 HydrophobicContact CB-CB 4.36Å; F229-K317 VanDerWaalsContact CB-O 3.28Å; F229-K317 WeakPolarHBondContact CB-O 3.36Å; P315-K317 WeakPolarHBondContact CB-O 3.38Å
318	V	98.9	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.5	168.4	175.8	0	0	0	0	108	T88 W90 P93 I94 V95 G230 L232 Y265 P315	T88-V318 HydrophobicContact CG2-CG2 3.83Å; W90-V318 HydrophobicContact CZ2-CG2 4.29Å; P93-V318 PolarHBondContact O-N 2.69Å; I94-V318 CarbonylContact C-O 3.6Å; I94-V318 VanDerWaalsContact CA-O 3.24Å; I94-V318 WeakPolarHBondContact CA-O 3.38Å; I94-V318 HydrophobicContact CG1-CB 4.28Å; I94-V318 HydrophobicContact CG2-CB 4.33Å; I94-V318 HydrophobicContact CG2-CG1 4.24Å; V95-V318 PolarHBondContact N-O 3.46Å; G230-V318 WeakPolarHBondContact O-CA 3.37Å; L232-V318 HydrophobicContact CD1-CG1 4.29Å; L232-V318 HydrophobicContact CD2-CG1 3.64Å; L232-V318 HydrophobicContact CG-CG1 3.63Å; Y265-V318 HydrophobicContact CE1-CG1 4Å; Y265-V318 HydrophobicContact CE1-CG2 4Å; P315-V318 HydrophobicContact CG-CG2 3.88Å
319	L	98.9	Very high	98.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	137.1	176.6	-48.9	-172.5	0	0	0	109.9	V95 I224 F229 G230 T231 L232 F269 Y323	V95-L319 HydrophobicContact CB-CD2 3.93Å; V95-L319 HydrophobicContact CG2-CD2 3.71Å; I224-L319 HydrophobicContact CB-CD1 3.86Å; I224-L319 HydrophobicContact CB-CD2 3.78Å; I224-L319 HydrophobicContact CB-CG 4.49Å; I224-L319 HydrophobicContact CG2-CD1 3.77Å; I224-L319 HydrophobicContact CG2-CD2 3.83Å; I224-L319 HydrophobicContact CG2-CG 4.48Å; F229-L319 HydrophobicContact CD2-CD1 3.71Å; F229-L319 HydrophobicContact CD2-CG 3.96Å; F229-L319 HydrophobicContact CE2-CD1 3.82Å; G230-L319 PolarHBondContact O-N 3.21Å; T231-L319 HydrophobicContact CG2-CB 4.11Å; L232-L319 WeakPolarHBondContact CG-O 3.4Å; L232-L319 PolarHBondContact N-O 3.06Å; F269-L319 HydrophobicContact CD1-CD1 3.79Å; F269-L319 HydrophobicContact CE1-CD1 3.39Å; F269-L319 HydrophobicContact CZ-CD1 4.23Å; L319-Y323 HydrophobicContact CB-CD2 3.96Å; L319-Y323 HydrophobicContact CB-CG 3.99Å; L319-Y323 HydrophobicContact CD1-CD1 4.2Å; L319-Y323 HydrophobicContact CD1-CG 4.1Å
320	S	98.9	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.			trans	-69.1	167	174	65.3	0	0	0	0	112.2	V95 W96 E322 Y323	V95-S320 WeakPolarHBondContact O-CB 3.2Å; V95-S320 PolarHBondContact O-N 3.5Å; V95-S320 VanDerWaalsContact O-N 3.12Å; V95-S320 PolarHBondContact O-OG 3.47Å; W96-S320 VanDerWaalsContact CE2-CB 3.44Å; S320-E322 PolarHBondContact O-N 2.59Å; S320-E322 WeakPolarHBondContact OG-CB 3.36Å; S320-E322 WeakPolarHBondContact OG-CG 3.1Å; S320-E322 PolarHBondContact OG-N 2.97Å; S320-Y323 PolarHBondContact O-N 3.19Å
321	P	98.7	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.6	-6.8	173.8	-20	33.3	0	0	0	114.4	W96 L232 P234 Y237 Y323 L324 W325 L336	W96-P321 HydrophobicContact CH2-CG 4.44Å; L232-P321 HydrophobicContact CB-CG 4.08Å; P234-P321 HydrophobicContact CB-CB 4.21Å; Y237-P321 HydrophobicContact CD1-CB 4.43Å; Y237-P321 HydrophobicContact CD1-CG 3.72Å; Y237-P321 HydrophobicContact CD2-CG 4.18Å; Y237-P321 HydrophobicContact CE1-CG 4.45Å; Y237-P321 HydrophobicContact CG-CG 3.57Å; P321-Y323 PolarHBondContact O-N 2.66Å; P321-L324 CarbonylContact O-C 3.54Å; P321-L324 VanDerWaalsContact O-C 3.26Å; P321-L324 PolarHBondContact O-N 3.13Å; P321-L324 VanDerWaalsContact O-O 3.06Å; P321-W325 HydrophobicContact CB-CE3 3.5Å; P321-W325 HydrophobicContact CB-CZ3 3.56Å; P321-W325 HydrophobicContact CG-CZ3 4.43Å; P321-L336 HydrophobicContact CB-CD2 4.2Å
322	E	98.8	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.2	166.9	-58.4	-179.6	176.8	0	0	111.5	R81 W96 E97 S320 L336 K338 R340	R81-E322 IonicContact NH1-OE1 2.83Å; R81-E322 PolarHBondContact NH1-OE1 3.41Å; W96-E322 HydrophobicContact CE3-CG 4.22Å; E97-E322 WeakPolarHBondContact CB-OE1 3.32Å; E97-E322 WeakPolarHBondContact CB-OE2 3.16Å; E97-E322 VanDerWaalsContact N-CD 3.32Å; E97-E322 PolarHBondContact N-OE1 2.92Å; E97-E322 VanDerWaalsContact N-OE1 3.08Å; E97-E322 PolarHBondContact N-OE2 2.91Å; S320-E322 PolarHBondContact O-N 2.59Å; S320-E322 WeakPolarHBondContact OG-CB 3.36Å; S320-E322 WeakPolarHBondContact OG-CG 3.1Å; S320-E322 PolarHBondContact OG-N 2.97Å; E322-L336 HydrophobicContact CG-CD2 3.85Å; E322-K338 WeakPolarHBondContact CB-O 3.41Å; E322-K338 WeakPolarHBondContact CG-O 3.49Å; E322-R340 HydrophobicContact CB-CG 4.32Å; E322-R340 WeakPolarHBondContact O-CB 3.48Å; E322-R340 WeakPolarHBondContact O-CG 3.47Å; E322-R340 PolarHBondContact O-N 2.76Å; E322-R340 IonicContact OE2-CZ 3.95Å; E322-R340 IonicContact OE2-NE 2.91Å; E322-R340 PolarHBondContact OE2-NE 3.26Å; E322-R340 VanDerWaalsContact OE2-NE 3.12Å; E322-R340 IonicContact OE2-NH2 3.24Å; E322-R340 PolarHBondContact OE2-NH2 3.12Å
323	Y	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-92.3	-5.8	-178.4	-68.5	-91.2	0	0	0	114.4	V95 V220 E223 I224 F269 L319 S320 P321 R340 F341	V95-Y323 HydrophobicContact CB-CE2 4.2Å; V95-Y323 HydrophobicContact CG1-CE2 3.77Å; V220-Y323 HydrophobicContact CG1-CD1 4.14Å; V220-Y323 HydrophobicContact CG1-CE1 4.24Å; V220-Y323 HydrophobicContact CG2-CD1 4.15Å; V220-Y323 HydrophobicContact CG2-CE1 4.33Å; E223-Y323 WeakPolarHBondContact CG-OH 3.31Å; E223-Y323 WeakPolarHBondContact OE1-CE1 3.44Å; E223-Y323 PolarHBondContact OE1-OH 3.01Å; I224-Y323 HydrophobicContact CG2-CD1 3.76Å; I224-Y323 HydrophobicContact CG2-CE1 3.34Å; F269-Y323 WeakPolarHBondContact CD2-O 3.13Å; L319-Y323 HydrophobicContact CB-CD2 3.96Å; L319-Y323 HydrophobicContact CB-CG 3.99Å; L319-Y323 HydrophobicContact CD1-CD1 4.2Å; L319-Y323 HydrophobicContact CD1-CG 4.1Å; S320-Y323 PolarHBondContact O-N 3.19Å; P321-Y323 PolarHBondContact O-N 2.66Å; Y323-R340 VanDerWaalsContact CE1-CD 3.42Å; Y323-R340 VanDerWaalsContact CZ-NE 3.35Å; Y323-R340 PolarHBondContact OH-NE 2.96Å; Y323-F341 WeakPolarHBondContact O-CB 3.31Å
324	L	97.8	Very high	98.3	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.052	24%	0.244	C	C	.	.	S	Bend	trans	-158.1	112.4	162.6	-163.2	157.5	0	0	0	110.1	M214 T231 P234 L266 F269 P321 F341	M214-L324 HydrophobicContact CE-CD1 3.98Å; M214-L324 HydrophobicContact CE-CD2 3.8Å; M214-L324 HydrophobicContact CE-CG 3.55Å; T231-L324 HydrophobicContact CG2-CB 4Å; P234-L324 WeakPolarHBondContact CB-O 3.22Å; P234-L324 HydrophobicContact CG-CD2 4.19Å; P234-L324 WeakPolarHBondContact CG-O 3.43Å; L266-L324 HydrophobicContact CD1-CB 4.35Å; L266-L324 HydrophobicContact CD1-CD1 3.7Å; L266-L324 HydrophobicContact CD1-CD2 3.43Å; L266-L324 VanDerWaalsContact CD1-CD2 3.43Å; L266-L324 HydrophobicContact CD1-CG 3.97Å; L266-L324 HydrophobicContact CD2-CD1 3.51Å; L266-L324 HydrophobicContact CG-CD1 4.14Å; F269-L324 HydrophobicContact CB-CD1 3.87Å; P321-L324 CarbonylContact O-C 3.54Å; P321-L324 VanDerWaalsContact O-C 3.26Å; P321-L324 PolarHBondContact O-N 3.13Å; P321-L324 VanDerWaalsContact O-O 3.06Å; L324-F341 WeakPolarHBondContact CA-O 3.41Å; L324-F341 HydrophobicContact CD1-CE1 4.45Å; L324-F341 HydrophobicContact CG-CD1 4.31Å
325	W	98.6	Very high	98.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-133.5	147.4	-176.3	-163.7	-106.5	0	0	0	114	P234 Y237 P321 L330 G331 P333 L336 L339 F341 T342 A343	P234-W325 HydrophobicContact CB-CD2 4.1Å; P234-W325 HydrophobicContact CB-CE3 3.24Å; P234-W325 HydrophobicContact CB-CH2 4.33Å; P234-W325 HydrophobicContact CB-CZ3 3.37Å; Y237-W325 HydrophobicContact CD1-CZ3 4.25Å; Y237-W325 AromaticContact CE1-CH2 3.74Å; Y237-W325 HydrophobicContact CE1-CH2 3.74Å; Y237-W325 AromaticContact CE1-CZ3 3.73Å; Y237-W325 HydrophobicContact CE1-CZ3 3.73Å; P321-W325 HydrophobicContact CB-CE3 3.5Å; P321-W325 HydrophobicContact CB-CZ3 3.56Å; P321-W325 HydrophobicContact CG-CZ3 4.43Å; W325-L330 HydrophobicContact CH2-CB 3.92Å; W325-L330 HydrophobicContact CH2-CD1 3.93Å; W325-L330 HydrophobicContact CZ2-CB 3.3Å; W325-L330 HydrophobicContact CZ2-CD1 4.02Å; W325-L330 HydrophobicContact CZ2-CG 4.3Å; W325-L330 HydrophobicContact CZ3-CD1 4.2Å; W325-G331 PolarHBondContact NE1-O 3.22Å; W325-P333 HydrophobicContact CH2-CG 4.1Å; W325-P333 VanDerWaalsContact CZ2-CD 3.41Å; W325-P333 HydrophobicContact CZ2-CG 3.72Å; W325-L336 HydrophobicContact CD2-CD1 3.34Å; W325-L336 VanDerWaalsContact CE2-CD1 3.41Å; W325-L336 HydrophobicContact CE3-CD1 3.41Å; W325-L336 VanDerWaalsContact CE3-CD1 3.41Å; W325-L336 HydrophobicContact CG-CD1 4.05Å; W325-L336 HydrophobicContact CH2-CD1 3.72Å; W325-L336 HydrophobicContact CZ2-CD1 3.61Å; W325-L336 HydrophobicContact CZ3-CD1 3.62Å; W325-L339 HydrophobicContact CB-CD2 4.09Å; W325-L339 HydrophobicContact CD2-CD2 4.34Å; W325-L339 HydrophobicContact CG-CD2 3.72Å; W325-F341 PolarHBondContact N-O 2.98Å; W325-T342 HydrophobicContact CB-CG2 4.38Å; W325-T342 CarbonylContact O-C 3.59Å; W325-T342 WeakPolarHBondContact O-CA 3.47Å; W325-A343 PolarHBondContact O-N 2.93Å
326	D	98.2	Very high	98.3	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.193	24%	0.238	C	C	.	.			trans	-110.6	99.1	167	-170.1	-38.9	0	0	0	109.3	Q328 L329 L330 A343	D326-Q328 VanDerWaalsContact C-N 3.27Å; D326-Q328 PolarHBondContact O-N 3.11Å; D326-Q328 WeakPolarHBondContact OD1-CA 3.39Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.17Å; D326-Q328 PolarHBondContact OD1-N 3.49Å; D326-L329 HydrophobicContact CB-CB 4.3Å; D326-L329 PolarHBondContact OD1-N 3.47Å; D326-L329 WeakPolarHBondContact OD2-CD1 3.23Å; D326-L330 VanDerWaalsContact O-CB 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.44Å; D326-L330 PolarHBondContact O-N 3.01Å; D326-A343 HydrophobicContact CB-CB 4.16Å
327	Q	97.6	Very high	98.3	Very high	72 Å²	72	46.7 Å²	46.7	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-25.9	-179.3	-164	-173	13.3	0	0	112.4	G331 L339	Q327-G331 WeakPolarHBondContact CG-O 3.48Å; Q327-G331 WeakPolarHBondContact O-CA 3.24Å; Q327-G331 PolarHBondContact O-N 3.05Å; Q327-G331 VanDerWaalsContact O-N 3.09Å; Q327-L339 HydrophobicContact CB-CD1 4.37Å; Q327-L339 HydrophobicContact CG-CD1 4.06Å
328	Q	96.7	Very high	98.3	Very high	143 Å²	143	47.5 Å²	47.5	67%	0.668	25%	0.249	S	C	*	.	H	α-helix	trans	-72.7	-39.4	-179.9	-175.7	177.9	9	0	0	111	D326	D326-Q328 VanDerWaalsContact C-N 3.27Å; D326-Q328 PolarHBondContact O-N 3.11Å; D326-Q328 WeakPolarHBondContact OD1-CA 3.39Å; D326-Q328 WeakPolarHBondContact OD1-CB 3.17Å; D326-Q328 PolarHBondContact OD1-N 3.49Å
329	L	96.9	Very high	98.2	Very high	134 Å²	134	47.9 Å²	47.9	70%	0.702	25%	0.251	S	S	*	.	H	α-helix	trans	-88.3	-31.3	-179.4	-63.9	-179	0	0	0	113.7	D326	D326-L329 HydrophobicContact CB-CB 4.3Å; D326-L329 PolarHBondContact OD1-N 3.47Å; D326-L329 WeakPolarHBondContact OD2-CD1 3.23Å
330	L	97.9	Very high	98.2	Very high	66 Å²	66	47.9 Å²	47.9	35%	0.346	25%	0.251	S	S	.	.	H	α-helix	trans	-121.3	1.2	-167.8	-54	169.8	0	0	0	114	P234 W325 D326	P234-L330 HydrophobicContact CB-CD1 3.62Å; P234-L330 HydrophobicContact CG-CD1 4.1Å; W325-L330 HydrophobicContact CH2-CB 3.92Å; W325-L330 HydrophobicContact CH2-CD1 3.93Å; W325-L330 HydrophobicContact CZ2-CB 3.3Å; W325-L330 HydrophobicContact CZ2-CD1 4.02Å; W325-L330 HydrophobicContact CZ2-CG 4.3Å; W325-L330 HydrophobicContact CZ3-CD1 4.2Å; D326-L330 VanDerWaalsContact O-CB 3.32Å; D326-L330 WeakPolarHBondContact O-CB 3.44Å; D326-L330 PolarHBondContact O-N 3.01Å
331	G	97.9	Very high	98.2	Very high	34 Å²	34	47.9 Å²	47.9	35%	0.351	25%	0.251	S	S	.	.			trans	64.8	-144.6	-179.7	0	0	0	0	0	112.8	W325 Q327	W325-G331 PolarHBondContact NE1-O 3.22Å; Q327-G331 WeakPolarHBondContact CG-O 3.48Å; Q327-G331 WeakPolarHBondContact O-CA 3.24Å; Q327-G331 PolarHBondContact O-N 3.05Å; Q327-G331 VanDerWaalsContact O-N 3.09Å
332	W	98.3	Very high	98.2	Very high	147 Å²	147	47.9 Å²	47.9	56%	0.557	25%	0.251	S	S	*	.			trans	-133.6	86.5	172.2	-168.3	-19.7	0	0	0	109.9	L336 L339	W332-L336 PolarHBondContact NE1-O 3.26Å; W332-L339 HydrophobicContact CB-CD1 4.3Å; W332-L339 HydrophobicContact CD2-CD1 3.59Å; W332-L339 HydrophobicContact CD2-CG 3.86Å; W332-L339 HydrophobicContact CE3-CD1 3.79Å; W332-L339 HydrophobicContact CE3-CG 4.35Å; W332-L339 HydrophobicContact CG-CD1 3.83Å; W332-L339 HydrophobicContact CG-CD2 4.44Å; W332-L339 HydrophobicContact CG-CG 4.18Å; W332-L339 HydrophobicContact CZ2-CG 4.12Å; W332-L339 HydrophobicContact CZ3-CD1 4.36Å
333	P	98.2	Very high	98.2	Very high	41 Å²	41	48.6 Å²	48.6	27%	0.266	26%	0.257	S	S	.	.			trans	-66.4	144.6	178.8	-21.8	34.6	0	0	0	112.3	W325 V335 L336	W325-P333 HydrophobicContact CH2-CG 4.1Å; W325-P333 VanDerWaalsContact CZ2-CD 3.41Å; W325-P333 HydrophobicContact CZ2-CG 3.72Å; P333-V335 HydrophobicContact CB-CG1 4.25Å; P333-V335 PolarHBondContact O-N 3.25Å; P333-L336 PolarHBondContact O-N 2.9Å
334	A	98.1	Very high	98.2	Very high	103 Å²	103	49.7 Å²	49.7	85%	0.851	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.5	-174.9	0	0	0	0	0	115.4	L336	A334-L336 VanDerWaalsContact C-N 3.28Å
335	V	98.3	Very high	98	Very high	31 Å²	31	53.2 Å²	53.2	19%	0.188	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-24.1	174	74	0	0	0	0	112.6	R81 V84 W96 Y237 P333	R81-V335 PolarHBondContact NH2-O 3.1Å; V84-V335 HydrophobicContact CG1-CG2 3.2Å; W96-V335 HydrophobicContact CZ3-CG2 4.26Å; Y237-V335 HydrophobicContact CE2-CG1 4.22Å; P333-V335 HydrophobicContact CB-CG1 4.25Å; P333-V335 PolarHBondContact O-N 3.25Å
336	L	98.6	Very high	97.9	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.016	30%	0.298	C	S	.	.			trans	-92.1	104.1	176.8	-55.5	179	0	0	0	109	W96 P321 E322 W325 W332 P333 A334 K338 L339	W96-L336 HydrophobicContact CZ3-CD2 3.91Å; P321-L336 HydrophobicContact CB-CD2 4.2Å; E322-L336 HydrophobicContact CG-CD2 3.85Å; W325-L336 HydrophobicContact CD2-CD1 3.34Å; W325-L336 VanDerWaalsContact CE2-CD1 3.41Å; W325-L336 HydrophobicContact CE3-CD1 3.41Å; W325-L336 VanDerWaalsContact CE3-CD1 3.41Å; W325-L336 HydrophobicContact CG-CD1 4.05Å; W325-L336 HydrophobicContact CH2-CD1 3.72Å; W325-L336 HydrophobicContact CZ2-CD1 3.61Å; W325-L336 HydrophobicContact CZ3-CD1 3.62Å; W332-L336 PolarHBondContact NE1-O 3.26Å; P333-L336 PolarHBondContact O-N 2.9Å; A334-L336 VanDerWaalsContact C-N 3.28Å; L336-K338 PolarHBondContact O-N 3.23Å; L336-L339 HydrophobicContact CB-CD2 3.99Å; L336-L339 HydrophobicContact CD1-CD2 3.54Å; L336-L339 HydrophobicContact CG-CD2 4.4Å
337	R	98.6	Very high	97.7	Very high	128 Å²	128	59.1 Å²	59.1	48%	0.483	32%	0.316	S	S	.	.	S	Bend	trans	-75	-20.9	176.2	-60.6	-180	177	177.2	-1.9	112.1	R81 E97	R81-R337 VanDerWaalsContact CD-CZ 3.42Å; E97-R337 HydrophobicContact CB-CB 3.84Å; E97-R337 HydrophobicContact CG-CB 3.92Å
338	K	98.7	Very high	97.3	Very high	47 Å²	47	60.1 Å²	60.1	20%	0.204	32%	0.32	C	S	.	.			trans	-141.7	147	178.9	-67.5	-174.1	165.3	-131.1	0	110.4	E97 D218 E322 L336 R340	E97-K338 HydrophobicContact CB-CD 4.47Å; E97-K338 HydrophobicContact CB-CG 4.45Å; E97-K338 VanDerWaalsContact CD-CE 3.48Å; E97-K338 HydrophobicContact CG-CD 4.03Å; E97-K338 HydrophobicContact CG-CG 4.15Å; E97-K338 WeakPolarHBondContact OE1-CE 3.26Å; E97-K338 WeakPolarHBondContact OE2-CD 3.32Å; D218-K338 IonicContact OD1-NZ 2.71Å; D218-K338 PolarHBondContact OD1-NZ 3.01Å; D218-K338 WeakPolarHBondContact OD2-CD 3.43Å; D218-K338 VanDerWaalsContact OD2-CE 3.25Å; D218-K338 WeakPolarHBondContact OD2-CE 3.19Å; D218-K338 VanDerWaalsContact OD2-CG 3.27Å; D218-K338 WeakPolarHBondContact OD2-CG 3.4Å; D218-K338 IonicContact OD2-NZ 2.72Å; D218-K338 PolarHBondContact OD2-NZ 2.71Å; E322-K338 WeakPolarHBondContact CB-O 3.41Å; E322-K338 WeakPolarHBondContact CG-O 3.49Å; L336-K338 PolarHBondContact O-N 3.23Å; K338-R340 HydrophobicContact CB-CG 4.07Å
339	L	98.7	Very high	97.1	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.042	32%	0.319	C	S	.	.			trans	-113.2	100.3	166	-57.4	-175.9	0	0	0	106.8	R217 W325 Q327 W332 L336 T342	R217-L339 WeakPolarHBondContact CB-O 3.39Å; W325-L339 HydrophobicContact CB-CD2 4.09Å; W325-L339 HydrophobicContact CD2-CD2 4.34Å; W325-L339 HydrophobicContact CG-CD2 3.72Å; Q327-L339 HydrophobicContact CB-CD1 4.37Å; Q327-L339 HydrophobicContact CG-CD1 4.06Å; W332-L339 HydrophobicContact CB-CD1 4.3Å; W332-L339 HydrophobicContact CD2-CD1 3.59Å; W332-L339 HydrophobicContact CD2-CG 3.86Å; W332-L339 HydrophobicContact CE3-CD1 3.79Å; W332-L339 HydrophobicContact CE3-CG 4.35Å; W332-L339 HydrophobicContact CG-CD1 3.83Å; W332-L339 HydrophobicContact CG-CD2 4.44Å; W332-L339 HydrophobicContact CG-CG 4.18Å; W332-L339 HydrophobicContact CZ2-CG 4.12Å; W332-L339 HydrophobicContact CZ3-CD1 4.36Å; L336-L339 HydrophobicContact CB-CD2 3.99Å; L336-L339 HydrophobicContact CD1-CD2 3.54Å; L336-L339 HydrophobicContact CG-CD2 4.4Å; L339-T342 HydrophobicContact CB-CG2 3.88Å
340	R	98.8	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.307	C	S	.	.			trans	-90.5	-38.6	-165.9	-51.6	166.1	-176.3	-82.9	-0.6	112.6	E97 F216 R217 D218 H219 V220 E322 Y323 K338	E97-R340 IonicContact OE2-CZ 2.86Å; E97-R340 IonicContact OE2-NH1 2.65Å; E97-R340 IonicContact OE2-NH2 2.87Å; E97-R340 PolarHBondContact OE2-NH2 2.84Å; F216-R340 CarbonylContact C-O 3.57Å; F216-R340 WeakPolarHBondContact CA-O 3.47Å; R217-R340 PolarHBondContact N-O 3.08Å; D218-R340 HydrophobicContact CB-CB 4.4Å; D218-R340 HydrophobicContact CB-CG 4.27Å; D218-R340 PolarHBondContact N-O 3.5Å; H219-R340 WeakPolarHBondContact O-CD 3.43Å; H219-R340 PolarHBondContact O-NH1 2.83Å; V220-R340 HydrophobicContact CG2-CB 3.63Å; E322-R340 HydrophobicContact CB-CG 4.32Å; E322-R340 WeakPolarHBondContact O-CB 3.48Å; E322-R340 WeakPolarHBondContact O-CG 3.47Å; E322-R340 PolarHBondContact O-N 2.76Å; E322-R340 IonicContact OE2-CZ 3.95Å; E322-R340 IonicContact OE2-NE 2.91Å; E322-R340 PolarHBondContact OE2-NE 3.26Å; E322-R340 VanDerWaalsContact OE2-NE 3.12Å; E322-R340 IonicContact OE2-NH2 3.24Å; E322-R340 PolarHBondContact OE2-NH2 3.12Å; Y323-R340 VanDerWaalsContact CE1-CD 3.42Å; Y323-R340 VanDerWaalsContact CZ-NE 3.35Å; Y323-R340 PolarHBondContact OH-NE 2.96Å; K338-R340 HydrophobicContact CB-CG 4.07Å
341	F	98.8	Very high	96.8	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	-140.9	121	-179.7	-177.5	-116.4	0	0	0	108.4	F133 V210 M214 E215 F216 F269 Y323 L324 W325	F133-F341 HydrophobicContact CD2-CE2 4.29Å; F133-F341 AromaticContact CE2-CE2 3.95Å; F133-F341 HydrophobicContact CE2-CE2 3.95Å; F133-F341 HydrophobicContact CE2-CZ 4Å; V210-F341 HydrophobicContact CB-CE1 4.19Å; V210-F341 HydrophobicContact CB-CZ 3.99Å; V210-F341 HydrophobicContact CG1-CE1 4.32Å; V210-F341 HydrophobicContact CG1-CZ 4.38Å; V210-F341 HydrophobicContact CG2-CZ 4.23Å; M214-F341 HydrophobicContact CB-CD1 4.42Å; M214-F341 HydrophobicContact CB-CD2 4.17Å; M214-F341 HydrophobicContact CB-CE1 3.72Å; M214-F341 HydrophobicContact CB-CE2 3.41Å; M214-F341 VanDerWaalsContact CB-CE2 3.41Å; M214-F341 HydrophobicContact CB-CZ 3.16Å; M214-F341 HydrophobicContact CE-CD1 3.7Å; M214-F341 HydrophobicContact CE-CE1 3.64Å; M214-F341 HydrophobicContact CE-CG 4.42Å; M214-F341 HydrophobicContact CE-CZ 4.31Å; M214-F341 HydrophobicContact CG-CE1 3.72Å; M214-F341 HydrophobicContact CG-CE2 4.31Å; M214-F341 HydrophobicContact CG-CZ 3.56Å; E215-F341 CarbonylContact O-C 3.52Å; E215-F341 WeakPolarHBondContact O-CA 3.41Å; F216-F341 HydrophobicContact CD1-CB 4.36Å; F216-F341 AromaticContact CD1-CD2 3.64Å; F216-F341 HydrophobicContact CD1-CD2 3.64Å; F216-F341 HydrophobicContact CD1-CE2 4.32Å; F216-F341 HydrophobicContact CD1-CG 4.37Å; F216-F341 AromaticContact CD2-CD2 3.85Å; F216-F341 HydrophobicContact CD2-CD2 3.85Å; F216-F341 AromaticContact CD2-CE2 3.91Å; F216-F341 HydrophobicContact CD2-CE2 3.91Å; F216-F341 AromaticContact CE1-CD2 3.62Å; F216-F341 HydrophobicContact CE1-CD2 3.62Å; F216-F341 AromaticContact CE1-CE2 3.97Å; F216-F341 HydrophobicContact CE1-CE2 3.97Å; F216-F341 HydrophobicContact CE1-CG 4.31Å; F216-F341 AromaticContact CE2-CD2 3.83Å; F216-F341 HydrophobicContact CE2-CD2 3.83Å; F216-F341 AromaticContact CE2-CE2 3.52Å; F216-F341 HydrophobicContact CE2-CE2 3.52Å; F216-F341 AromaticContact CG-CD2 3.75Å; F216-F341 HydrophobicContact CG-CD2 3.75Å; F216-F341 HydrophobicContact CG-CE2 4.29Å; F216-F341 AromaticContact CZ-CD2 3.72Å; F216-F341 HydrophobicContact CZ-CD2 3.72Å; F216-F341 AromaticContact CZ-CE2 3.56Å; F216-F341 HydrophobicContact CZ-CE2 3.56Å; F216-F341 HydrophobicContact CZ-CZ 4.41Å; F269-F341 AromaticContact CD2-CD1 3.59Å; F269-F341 HydrophobicContact CD2-CD1 3.59Å; F269-F341 AromaticContact CD2-CE1 3.76Å; F269-F341 HydrophobicContact CD2-CE1 3.76Å; F269-F341 HydrophobicContact CD2-CG 4.45Å; F269-F341 AromaticContact CE2-CD1 3.94Å; F269-F341 HydrophobicContact CE2-CD1 3.94Å; F269-F341 HydrophobicContact CE2-CE1 4.27Å; F269-F341 HydrophobicContact CE2-CG 4.37Å; Y323-F341 WeakPolarHBondContact O-CB 3.31Å; L324-F341 WeakPolarHBondContact CA-O 3.41Å; L324-F341 HydrophobicContact CD1-CE1 4.45Å; L324-F341 HydrophobicContact CG-CD1 4.31Å; W325-F341 PolarHBondContact N-O 2.98Å
342	T	98.7	Very high	96.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145	-165.2	56.2	0	0	0	0	113	M214 E215 R217 W325 L339	M214-T342 CarbonylContact C-O 3.54Å; M214-T342 VanDerWaalsContact CA-O 3.3Å; M214-T342 WeakPolarHBondContact CA-O 3.45Å; E215-T342 WeakPolarHBondContact CG-OG1 3.42Å; E215-T342 PolarHBondContact N-O 2.95Å; E215-T342 PolarHBondContact O-N 3.41Å; R217-T342 VanDerWaalsContact CD-OG1 3.31Å; R217-T342 WeakPolarHBondContact CD-OG1 3.4Å; R217-T342 PolarHBondContact NE-OG1 2.71Å; R217-T342 VanDerWaalsContact NE-OG1 3.12Å; W325-T342 HydrophobicContact CB-CG2 4.38Å; W325-T342 CarbonylContact O-C 3.59Å; W325-T342 WeakPolarHBondContact O-CA 3.47Å; L339-T342 HydrophobicContact CB-CG2 3.88Å
343	A	98.4	Very high	96.2	Very high	15 Å²	15	50.7 Å²	50.7	12%	0.124	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.1	177.4	0	0	0	0	0	112.4	M214 W325 D326	M214-A343 HydrophobicContact CE-CB 4.4Å; M214-A343 VanDerWaalsContact SD-CA 3.58Å; M214-A343 HydrophobicContact SD-CB 4.07Å; W325-A343 PolarHBondContact O-N 2.93Å; D326-A343 HydrophobicContact CB-CB 4.16Å
344	V	97.8	Very high	95.7	Very high	23 Å²	23	56.8 Å²	56.8	14%	0.139	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-83.2	128.1	169.6	177.8	0	0	0	0	108.5	F129 L132 D213 E215 K346	F129-V344 HydrophobicContact CD1-CB 4.27Å; F129-V344 HydrophobicContact CD1-CG1 4.03Å; F129-V344 HydrophobicContact CE1-CB 4.32Å; F129-V344 HydrophobicContact CE1-CG1 3.96Å; L132-V344 HydrophobicContact CD2-CG2 3.85Å; D213-V344 PolarHBondContact O-N 2.69Å; E215-V344 HydrophobicContact CB-CG2 4.13Å; E215-V344 HydrophobicContact CG-CG2 4.25Å; V344-K346 PolarHBondContact O-N 2.83Å; V344-K346 PolarHBondContact O-NZ 3.43Å
345	P	94.9	Very high	95.6	Very high	84 Å²	84	54.5 Å²	54.5	55%	0.545	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-55.2	131.6	175.7	-29.2	37.1	0	0	0	112.5
346	K	95.7	Very high	95.4	Very high	56 Å²	56	55.7 Å²	55.7	24%	0.243	30%	0.297	C	S	.	.			trans	-151.9	146.8	-173.3	56	179.4	165.7	-90.5	0	111.5	F129 D213 V344 H348	F129-K346 HydrophobicContact CE1-CB 4.43Å; F129-K346 HydrophobicContact CZ-CB 4.04Å; F129-K346 HydrophobicContact CZ-CD 4.42Å; D213-K346 HydrophobicContact CB-CD 4.1Å; D213-K346 VanDerWaalsContact OD2-CD 3.26Å; D213-K346 WeakPolarHBondContact OD2-CD 3.35Å; D213-K346 WeakPolarHBondContact OD2-CE 3.25Å; D213-K346 IonicContact OD2-NZ 3.2Å; D213-K346 PolarHBondContact OD2-NZ 2.86Å; V344-K346 PolarHBondContact O-N 2.83Å; V344-K346 PolarHBondContact O-NZ 3.43Å; K346-H348 VanDerWaalsContact CE-NE2 3.25Å; K346-H348 WeakPolarHBondContact CE-NE2 3.11Å; K346-H348 PolarHBondContact O-N 2.98Å
347	N	94.9	Very high	95.2	Very high	106 Å²	106	58.7 Å²	58.7	57%	0.567	31%	0.312	S	S	*	.			trans	-87.8	106.3	165.8	-177.6	-45.2	0	0	0	109	Q349 A350 V351	N347-Q349 VanDerWaalsContact C-N 3.29Å; N347-Q349 PolarHBondContact O-N 3.3Å; N347-Q349 PolarHBondContact OD1-N 2.74Å; N347-A350 HydrophobicContact CB-CB 4Å; N347-A350 PolarHBondContact O-N 2.95Å; N347-A350 PolarHBondContact OD1-N 2.79Å; N347-V351 WeakPolarHBondContact O-CG1 3.46Å; N347-V351 PolarHBondContact O-N 2.96Å
348	H	89.6	Confident	95	Very high	92 Å²	92	54.6 Å²	54.6	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-53.9	-41.4	-178.5	-73.5	119.5	0	0	0	113.6	K346 R352	K346-H348 VanDerWaalsContact CE-NE2 3.25Å; K346-H348 WeakPolarHBondContact CE-NE2 3.11Å; K346-H348 PolarHBondContact O-N 2.98Å; H348-R352 VanDerWaalsContact CD2-CZ 3.46Å; H348-R352 VanDerWaalsContact O-CB 3.22Å; H348-R352 WeakPolarHBondContact O-CB 3.5Å; H348-R352 WeakPolarHBondContact O-CD 3.33Å; H348-R352 VanDerWaalsContact O-CG 3.26Å; H348-R352 WeakPolarHBondContact O-CG 3.32Å; H348-R352 PolarHBondContact O-N 2.7Å
349	Q	92	Very high	94.8	Very high	138 Å²	138	55.1 Å²	55.1	65%	0.645	31%	0.308	S	S	*	.	H	α-helix	trans	-69.4	-41	-178.8	-177.8	60.4	13.1	0	0	111.5	N347 N353	N347-Q349 VanDerWaalsContact C-N 3.29Å; N347-Q349 PolarHBondContact O-N 3.3Å; N347-Q349 PolarHBondContact OD1-N 2.74Å; Q349-N353 VanDerWaalsContact CD-ND2 3.34Å; Q349-N353 PolarHBondContact NE2-ND2 2.89Å; Q349-N353 PolarHBondContact O-ND2 3.09Å; Q349-N353 PolarHBondContact OE1-ND2 3.48Å
350	A	94.6	Very high	94.6	Very high	55 Å²	55	58.2 Å²	58.2	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-73.5	-33.5	-178.4	0	0	0	0	0	113.7	K125 N347	K125-A350 WeakPolarHBondContact CD-O 3.27Å; K125-A350 PolarHBondContact NZ-O 2.96Å; N347-A350 HydrophobicContact CB-CB 4Å; N347-A350 PolarHBondContact O-N 2.95Å; N347-A350 PolarHBondContact OD1-N 2.79Å
351	V	93.9	Very high	94.3	Very high	18 Å²	18	62.4 Å²	62.4	11%	0.109	35%	0.349	C	S	.	.	H	α-helix	trans	-87.2	-28.1	-176.6	77.2	0	0	0	0	113.5	K125 Y126 F129 N347	K125-V351 HydrophobicContact CB-CG2 4.03Å; Y126-V351 HydrophobicContact CD2-CG2 4.12Å; Y126-V351 HydrophobicContact CE2-CG1 4.01Å; Y126-V351 HydrophobicContact CE2-CG2 4.02Å; F129-V351 HydrophobicContact CE2-CG2 3.84Å; F129-V351 HydrophobicContact CZ-CG2 4.13Å; N347-V351 WeakPolarHBondContact O-CG1 3.46Å; N347-V351 PolarHBondContact O-N 2.96Å
352	R	93.5	Very high	93.9	Very high	55 Å²	55	67.2 Å²	67.2	21%	0.208	38%	0.376	C	S	.	.	H	α-helix	trans	-83.1	-22.5	-178.3	-71	172.4	171	174.9	0.3	113.9	K124 Y126 W181 H348	K124-R352 PolarHBondContact NZ-O 3.34Å; Y126-R352 HydrophobicContact CE2-CG 4.14Å; Y126-R352 WeakPolarHBondContact OH-CG 3.48Å; Y126-R352 PolarHBondContact OH-NE 3.43Å; W181-R352 HydrophobicContact CB-CB 3.88Å; W181-R352 HydrophobicContact CB-CG 3.85Å; W181-R352 HydrophobicContact CG-CB 4.02Å; W181-R352 HydrophobicContact CG-CG 3.94Å; H348-R352 VanDerWaalsContact CD2-CZ 3.46Å; H348-R352 VanDerWaalsContact O-CB 3.22Å; H348-R352 WeakPolarHBondContact O-CB 3.5Å; H348-R352 WeakPolarHBondContact O-CD 3.33Å; H348-R352 VanDerWaalsContact O-CG 3.26Å; H348-R352 WeakPolarHBondContact O-CG 3.32Å; H348-R352 PolarHBondContact O-N 2.7Å
353	N	90.7	Very high	93.5	Very high	60 Å²	60	72.7 Å²	72.7	32%	0.321	41%	0.407	S	S	.	.			trans	-113.8	157.3	-176.3	-57.6	-73.4	0	0	0	111.4	K125 Q349	K125-N353 VanDerWaalsContact CE-O 3.23Å; K125-N353 WeakPolarHBondContact CE-O 3.39Å; K125-N353 PolarHBondContact NZ-O 2.92Å; Q349-N353 VanDerWaalsContact CD-ND2 3.34Å; Q349-N353 PolarHBondContact NE2-ND2 2.89Å; Q349-N353 PolarHBondContact O-ND2 3.09Å; Q349-N353 PolarHBondContact OE1-ND2 3.48Å
354	P	86.5	Confident	93.1	Very high	170 Å²	170	77.9 Å²	77.9	100%	1.104	43%	0.433	S	S	*	.			trans	-53.1	0	172.6	-26.2	36.6	0	0	0	114	K125	K125-P354 WeakPolarHBondContact CE-OXT 3.44Å; K125-P354 PolarHBondContact NZ-O 2.81Å; K125-P354 PolarHBondContact NZ-OXT 2.98Å

Retrieved 354 of 354 residues in 71.9 ms (Link to these results)

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