A0A087X009_HUMAN Loading...

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

AlphaFold DB , UniProt , Accession A0A087X009, Species HUMAN (Homo sapiens, Human), Gene ABO, Length 373 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	38.6	Very low	247 Å²	247	149.7 Å²	149.7	100%	1.217	83%	0.83	S	S	*	*				0	107.3	0	-85.2	-104.6	-138.7	0	0	108.3
2	A	36.1	Very low	39	Very low	98 Å²	98	147.7 Å²	147.7	81%	0.81	83%	0.829	S	S	*	*			trans	37.9	98	158.2	0	0	0	0	0	120.9
3	E	49.7	Very low	39.3	Very low	166 Å²	166	151.7 Å²	151.7	78%	0.776	83%	0.832	S	S	*	*			trans	-26.1	134	136.4	-171.2	168.5	-151.4	0	0	117.9	L5	E3-L5 HydrophobicContact CG-CD1 4.36Å
4	V	39.3	Very low	40.3	Very low	138 Å²	138	147.9 Å²	147.9	84%	0.836	82%	0.82	S	S	*	*			trans	-160.3	113.4	155.1	-177	0	0	0	0	105.8
5	L	38.1	Very low	41.2	Very low	113 Å²	113	150.3 Å²	150.3	59%	0.592	82%	0.822	S	S	*	*			cis	63.6	90.2	28	-124.7	164.9	0	0	0	114.3	E3	E3-L5 HydrophobicContact CG-CD1 4.36Å
6	R	37.8	Very low	41.9	Very low	213 Å²	213	145.7 Å²	145.7	80%	0.804	81%	0.81	S	S	*	*				160.3	110.1	128.6	-92.4	175.2	-164.7	166.7	6.5	112.9
7	T	37.8	Very low	42.7	Very low	113 Å²	113	144 Å²	144	69%	0.693	80%	0.799	S	S	*	*				64.2	123.3	103.7	58.9	0	0	0	0	115.5
8	L	34.1	Very low	43.5	Very low	173 Å²	173	147.8 Å²	147.8	91%	0.906	80%	0.799	S	S	*	*				-170.7	152.1	108.8	-99.7	159.1	0	0	0	111.8
9	A	37.2	Very low	44.5	Very low	102 Å²	102	144.5 Å²	144.5	84%	0.843	79%	0.786	S	S	*	*			trans	-79.7	153.4	-167.1	0	0	0	0	0	113.5
10	G	32.8	Very low	45.7	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	78%	0.777	S	S	*	*			trans	-176.7	85.2	167	0	0	0	0	0	110.6
11	K	44.4	Very low	47	Very low	213 Å²	213	141 Å²	141	93%	0.926	76%	0.762	S	S	*	*			trans	-78.3	135.8	161.9	-85.6	-176.2	177.5	176.3	0	108.9
12	P	44.3	Very low	48.7	Very low	125 Å²	125	134.7 Å²	134.7	81%	0.812	73%	0.733	S	S	*	*			trans	-121.7	166.5	136.3	26.5	-10.6	0	0	0	111.9
13	K	42.6	Very low	50.6	Low	200 Å²	200	137 Å²	137	87%	0.87	73%	0.725	S	S	*	*			trans	-82	134.1	-154.9	-70.9	157.8	173.4	173.7	0	113.2
14	C	53	Low	51.8	Low	99 Å²	99	134.1 Å²	134.1	67%	0.669	71%	0.714	S	S	*	*			trans	-30.2	119.6	156.8	-164.9	0	0	0	0	115.6
15	H	53.9	Low	53.5	Low	184 Å²	184	131.9 Å²	131.9	85%	0.852	70%	0.697	S	S	*	*			trans	-147.6	5.4	158	-89.3	-61.4	0	0	0	116.5
16	A	52.9	Low	55.3	Low	76 Å²	76	132 Å²	132	63%	0.628	70%	0.696	S	S	*	*	S	Bend	trans	-112.7	-9.4	-177.9	0	0	0	0	0	115.6
17	L	55.6	Low	57.2	Low	117 Å²	117	126.1 Å²	126.1	61%	0.613	68%	0.68	S	S	*	*	H	α-helix	trans	-87.3	-28.1	-168.6	-137.4	79.7	0	0	0	114.5	I21	L17-I21 HydrophobicContact CD2-CD1 4.31Å; L17-I21 HydrophobicContact CG-CD1 4.38Å; L17-I21 WeakPolarHBondContact O-CD1 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3Å
18	R	55.8	Low	59	Low	213 Å²	213	124.3 Å²	124.3	80%	0.804	67%	0.668	S	S	*	*	H	α-helix	trans	-66.8	-45.2	-178.4	-104.6	-178.3	175.6	-178.8	-1.9	114.9	M20 L22	R18-M20 VanDerWaalsContact C-N 3.35Å; R18-L22 PolarHBondContact O-N 3.38Å
19	P	62.7	Low	61	Low	84 Å²	84	121.2 Å²	121.2	55%	0.545	65%	0.652	S	S	.	*	H	α-helix	trans	-70.6	-31.7	177.4	24.8	-31.2	0	0	0	112.5	L22 F23	P19-L22 PolarHBondContact O-N 3Å; P19-F23 WeakPolarHBondContact O-CB 3.47Å; P19-F23 PolarHBondContact O-N 3.43Å
20	M	68	Low	62.7	Low	125 Å²	125	120.1 Å²	120.1	62%	0.616	64%	0.635	S	S	*	*	H	α-helix	trans	-62.1	-43.3	175	-101	-87.7	-164.4	0	0	112.6	R18 F23 L24	R18-M20 VanDerWaalsContact C-N 3.35Å; M20-F23 PolarHBondContact O-N 3.35Å; M20-L24 PolarHBondContact O-N 3.18Å
21	I	73.8	Confident	64.3	Low	91 Å²	91	122.3 Å²	122.3	47%	0.467	63%	0.629	S	S	.	*	H	α-helix	trans	-67	-41.4	178.8	-67.5	165	0	0	0	111	L17 F23 L24 I25	L17-I21 HydrophobicContact CD2-CD1 4.31Å; L17-I21 HydrophobicContact CG-CD1 4.38Å; L17-I21 WeakPolarHBondContact O-CD1 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 3.41Å; I21-L24 PolarHBondContact O-N 3.31Å; I21-I25 HydrophobicContact CG2-CD1 3.9Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.26Å; I21-I25 PolarHBondContact O-N 3.03Å
22	L	73.1	Confident	64.9	Low	115 Å²	115	119.5 Å²	119.5	60%	0.602	62%	0.617	S	S	*	*	H	α-helix	trans	-64	-39.1	176.3	-76.9	164.2	0	0	0	111.9	R18 P19 I25 M26	R18-L22 PolarHBondContact O-N 3.38Å; P19-L22 PolarHBondContact O-N 3Å; L22-I25 PolarHBondContact O-N 3.48Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 2.94Å; L22-M26 VanDerWaalsContact O-N 3.1Å
23	F	76	Confident	65.3	Low	145 Å²	145	115.5 Å²	115.5	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-64.8	-41.2	175.2	-167.5	-97.3	0	0	0	112.1	P19 M20 I21 M26 L27	P19-F23 WeakPolarHBondContact O-CB 3.47Å; P19-F23 PolarHBondContact O-N 3.43Å; M20-F23 PolarHBondContact O-N 3.35Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 3.41Å; F23-M26 PolarHBondContact O-N 3.01Å; F23-L27 WeakPolarHBondContact O-CB 3.39Å; F23-L27 PolarHBondContact O-N 3.1Å
24	L	74.3	Confident	65.7	Low	107 Å²	107	114.7 Å²	114.7	56%	0.56	59%	0.591	S	S	*	*	H	α-helix	trans	-64.3	-41.2	176.8	-126.9	89.1	0	0	0	112.3	M20 I21 L27 V28	M20-L24 PolarHBondContact O-N 3.18Å; I21-L24 PolarHBondContact O-N 3.31Å; L24-L27 PolarHBondContact O-N 2.99Å; L24-V28 WeakPolarHBondContact O-CG2 3.31Å; L24-V28 PolarHBondContact O-N 3.45Å
25	I	76.2	Confident	65.4	Low	90 Å²	90	113.2 Å²	113.2	46%	0.462	59%	0.593	S	S	.	*	H	α-helix	trans	-64.6	-43.1	178.2	-67.9	166.4	0	0	0	110.6	I21 L22 L27 V28 L29	I21-I25 HydrophobicContact CG2-CD1 3.9Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.26Å; I21-I25 PolarHBondContact O-N 3.03Å; L22-I25 PolarHBondContact O-N 3.48Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 2.99Å; I25-V28 PolarHBondContact O-N 3.33Å; I25-L29 HydrophobicContact CG2-CD1 4.13Å; I25-L29 WeakPolarHBondContact O-CG 3.34Å; I25-L29 PolarHBondContact O-N 3.4Å
26	M	75.9	Confident	65.2	Low	117 Å²	117	110.1 Å²	110.1	58%	0.576	59%	0.587	S	S	*	*	H	α-helix	trans	-63.5	-39.9	175.9	-71.9	-62.5	-66.4	0	0	112	L22 F23 L29 V30	L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 2.94Å; L22-M26 VanDerWaalsContact O-N 3.1Å; F23-M26 PolarHBondContact O-N 3.01Å; M26-L29 PolarHBondContact O-N 3.34Å; M26-V30 VanDerWaalsContact O-CG2 3.31Å; M26-V30 WeakPolarHBondContact O-CG2 3.41Å; M26-V30 PolarHBondContact O-N 3.4Å
27	L	76.6	Confident	64.8	Low	88 Å²	88	113.5 Å²	113.5	46%	0.461	59%	0.593	S	S	.	*	H	α-helix	trans	-63.9	-41.7	176.4	-169.2	72.2	0	0	0	111.8	F23 L24 I25 V30 L31	F23-L27 WeakPolarHBondContact O-CB 3.39Å; F23-L27 PolarHBondContact O-N 3.1Å; L24-L27 PolarHBondContact O-N 2.99Å; I25-L27 VanDerWaalsContact C-N 3.35Å; I25-L27 PolarHBondContact O-N 2.99Å; L27-V30 PolarHBondContact O-N 3.49Å; L27-L31 HydrophobicContact CG-CD1 4.06Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 2.99Å
28	V	76	Confident	64	Low	75 Å²	75	113 Å²	113	46%	0.455	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-41.3	176.3	171.6	0	0	0	0	111.3	L24 I25 L31 F32	L24-V28 WeakPolarHBondContact O-CG2 3.31Å; L24-V28 PolarHBondContact O-N 3.45Å; I25-V28 PolarHBondContact O-N 3.33Å; V28-L31 PolarHBondContact O-N 2.84Å; V28-F32 HydrophobicContact CG1-CD2 4.16Å; V28-F32 WeakPolarHBondContact O-CB 3.31Å; V28-F32 PolarHBondContact O-N 3.36Å
29	L	75.9	Confident	63.1	Low	109 Å²	109	108.2 Å²	108.2	57%	0.571	60%	0.596	S	S	*	*	H	α-helix	trans	-67	-36.8	177.4	-71.4	171.6	0	0	0	112.6	I25 M26 G33	I25-L29 HydrophobicContact CG2-CD1 4.13Å; I25-L29 WeakPolarHBondContact O-CG 3.34Å; I25-L29 PolarHBondContact O-N 3.4Å; M26-L29 PolarHBondContact O-N 3.34Å; L29-G33 WeakPolarHBondContact O-CA 3.5Å; L29-G33 PolarHBondContact O-N 2.87Å
30	V	72.1	Confident	61.7	Low	79 Å²	79	115.8 Å²	115.8	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-69.1	-42.2	174.8	172.2	0	0	0	0	111	M26 L27 G33 Y34	M26-V30 VanDerWaalsContact O-CG2 3.31Å; M26-V30 WeakPolarHBondContact O-CG2 3.41Å; M26-V30 PolarHBondContact O-N 3.4Å; L27-V30 PolarHBondContact O-N 3.49Å; V30-G33 PolarHBondContact O-N 3.29Å; V30-Y34 HydrophobicContact CG1-CD2 4.16Å; V30-Y34 WeakPolarHBondContact O-CB 3.47Å; V30-Y34 PolarHBondContact O-N 3Å
31	L	66.6	Low	59.9	Low	116 Å²	116	115.1 Å²	115.1	61%	0.607	62%	0.621	S	S	*	*	H	α-helix	trans	-66.4	-40	177	-72.5	168.6	0	0	0	112.4	L27 V28 G35	L27-L31 HydrophobicContact CG-CD1 4.06Å; L27-L31 WeakPolarHBondContact O-CB 3.4Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 2.99Å; V28-L31 PolarHBondContact O-N 2.84Å; L31-G35 PolarHBondContact O-N 3.44Å
32	F	57.7	Low	57.8	Low	155 Å²	155	119.5 Å²	119.5	68%	0.68	65%	0.645	S	S	*	*	H	α-helix	trans	-73.9	-34.6	174.9	-100.9	-93.1	0	0	0	112.8	V28 G35	V28-F32 HydrophobicContact CG1-CD2 4.16Å; V28-F32 WeakPolarHBondContact O-CB 3.31Å; V28-F32 PolarHBondContact O-N 3.36Å; F32-G35 PolarHBondContact O-N 3.31Å
33	G	52	Low	55.8	Low	41 Å²	41	122.4 Å²	122.4	42%	0.423	66%	0.657	S	S	.	*	H	α-helix	trans	-66.7	-36.2	176	0	0	0	0	0	113.2	L29 V30	L29-G33 WeakPolarHBondContact O-CA 3.5Å; L29-G33 PolarHBondContact O-N 2.87Å; V30-G33 PolarHBondContact O-N 3.29Å
34	Y	51.3	Low	53.7	Low	183 Å²	183	121.4 Å²	121.4	72%	0.718	67%	0.665	S	S	*	*	H	α-helix	trans	-75.1	-23.2	174.1	-98.3	-90.8	0	0	0	113.7	V30 V36	V30-Y34 HydrophobicContact CG1-CD2 4.16Å; V30-Y34 WeakPolarHBondContact O-CB 3.47Å; V30-Y34 PolarHBondContact O-N 3Å; Y34-V36 VanDerWaalsContact C-N 3.32Å; Y34-V36 PolarHBondContact O-N 3.5Å
35	G	46	Very low	51.5	Low	67 Å²	67	119.5 Å²	119.5	69%	0.691	67%	0.672	S	S	*	*	H	α-helix	trans	-74.8	-16.6	176.7	0	0	0	0	0	114.9	L31 F32	L31-G35 PolarHBondContact O-N 3.44Å; F32-G35 PolarHBondContact O-N 3.31Å
36	V	49.8	Very low	49.2	Very low	120 Å²	120	121 Å²	121	73%	0.727	69%	0.69	S	S	*	*	S	Bend	trans	-99.7	-12.3	-177.5	177.7	0	0	0	0	112.5	Y34	Y34-V36 VanDerWaalsContact C-N 3.32Å; Y34-V36 PolarHBondContact O-N 3.5Å
37	L	44.8	Very low	47.1	Very low	147 Å²	147	123.4 Å²	123.4	77%	0.77	70%	0.704	S	S	*	*	S	Bend	trans	-132.5	66.9	-177.4	-78.3	160.4	0	0	0	111.5
38	S	39	Very low	44.8	Very low	106 Å²	106	128.5 Å²	128.5	74%	0.741	73%	0.726	S	S	*	*			trans	-149.4	116.2	158.6	-147.3	0	0	0	0	111.4
39	P	37.8	Very low	42.6	Very low	113 Å²	113	135.9 Å²	135.9	73%	0.734	75%	0.745	S	S	*	*			trans	-90.4	142.1	-177.4	33.6	-30	0	0	0	112.1
40	R	31.9	Very low	40.3	Very low	243 Å²	243	133.8 Å²	133.8	92%	0.917	75%	0.75	S	S	*	*			trans	75.1	110.6	164.1	-61.8	175.3	169.9	170.5	-3.1	117.5
41	S	30.5	Very low	38.1	Very low	110 Å²	110	138.6 Å²	138.6	77%	0.769	77%	0.765	S	S	*	*				171	114.4	109	55	0	0	0	0	110.5
42	L	30.8	Very low	36.2	Very low	183 Å²	183	139 Å²	139	96%	0.958	78%	0.776	S	S	*	*			trans	-163.8	128.6	142.4	-121.5	106.5	0	0	0	109.8
43	M	31.3	Very low	34.7	Very low	177 Å²	177	139 Å²	139	87%	0.872	78%	0.78	S	S	*	*			trans	-70.8	159.5	179.8	-81	-74.3	162.3	0	0	112.3
44	P	31.9	Very low	33.4	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	80%	0.795	S	S	*	*			trans	-90.3	129.4	-163.4	34	-31	0	0	0	112.6
45	G	26.9	Very low	32.4	Very low	67 Å²	67	139 Å²	139	69%	0.691	80%	0.799	S	S	*	*			trans	-143.5	99.7	172.2	0	0	0	0	0	110.6
46	S	27.8	Very low	31.5	Very low	120 Å²	120	146.7 Å²	146.7	84%	0.839	81%	0.808	S	S	*	*	S	Bend	trans	49.2	113.8	157.1	62.3	0	0	0	0	119.8
47	L	31.9	Very low	30.4	Very low	169 Å²	169	147.9 Å²	147.9	89%	0.885	81%	0.805	S	S	*	*				127.2	68.8	129.5	-152.6	87	0	0	0	113.5
48	E	29.6	Very low	30.2	Very low	195 Å²	195	146.4 Å²	146.4	91%	0.911	80%	0.804	S	S	*	*			trans	-148.3	111.6	141.4	-113.7	176.6	-160.3	0	0	108.8	G50	E48-G50 PolarHBondContact O-N 2.93Å
49	R	28.6	Very low	30	Very low	229 Å²	229	147.4 Å²	147.4	86%	0.864	80%	0.801	S	S	*	*			trans	-77	76.7	-177.2	-166.2	178.2	-73.2	174.4	-3.6	107.4	F51	R49-F51 PolarHBondContact O-N 3.23Å
50	G	27.3	Very low	30.1	Very low	65 Å²	65	151 Å²	151	67%	0.67	81%	0.808	S	S	*	*			trans	-65.4	110.8	167.2	0	0	0	0	0	109.4	E48 C52	E48-G50 PolarHBondContact O-N 2.93Å; G50-C52 PolarHBondContact O-N 2.83Å
51	F	27.8	Very low	31	Very low	180 Å²	180	144.8 Å²	144.8	79%	0.789	79%	0.792	S	S	*	*			trans	-65.2	75.1	158.7	-100.3	-94.7	0	0	0	108.3	R49 M53	R49-F51 PolarHBondContact O-N 3.23Å; F51-M53 HydrophobicContact CD1-CG 4.34Å; F51-M53 PolarHBondContact O-N 3.05Å
52	C	24.6	Very low	31.9	Very low	126 Å²	126	147.5 Å²	147.5	85%	0.851	79%	0.793	S	S	*	*			trans	-71.3	87.6	149.1	-81.3	0	0	0	0	105.5	G50 A54	G50-C52 PolarHBondContact O-N 2.83Å; C52-A54 VanDerWaalsContact C-N 3.34Å; C52-A54 PolarHBondContact O-N 2.98Å
53	M	26.8	Very low	33.1	Very low	155 Å²	155	150.7 Å²	150.7	76%	0.764	79%	0.792	S	S	*	*			trans	-57.4	112.5	155.5	-81.9	-148.5	-159.2	0	0	105.6	F51 V55	F51-M53 HydrophobicContact CD1-CG 4.34Å; F51-M53 PolarHBondContact O-N 3.05Å; M53-V55 PolarHBondContact O-N 3.09Å
54	A	25.6	Very low	35.2	Very low	87 Å²	87	145.3 Å²	145.3	72%	0.719	77%	0.769	S	S	*	*			trans	-43	110.4	156.1	0	0	0	0	0	106.8	C52 R56	C52-A54 VanDerWaalsContact C-N 3.34Å; C52-A54 PolarHBondContact O-N 2.98Å; A54-R56 PolarHBondContact O-N 3.29Å
55	V	29.9	Very low	37.9	Very low	135 Å²	135	144.5 Å²	144.5	82%	0.818	77%	0.767	S	S	*	*			trans	-57.8	102.8	155.2	174.4	0	0	0	0	103	M53 E57	M53-V55 PolarHBondContact O-N 3.09Å; V55-E57 PolarHBondContact O-N 3.1Å
56	R	26.8	Very low	41.1	Very low	230 Å²	230	144.4 Å²	144.4	87%	0.868	75%	0.75	S	S	*	*			trans	-52.4	113.4	166.3	-99.3	179.1	171.6	170.9	-4.2	105.4	A54	A54-R56 PolarHBondContact O-N 3.29Å
57	E	27.4	Very low	44.3	Very low	144 Å²	144	141.7 Å²	141.7	67%	0.673	73%	0.729	S	S	*	*			trans	-47.7	137.3	159	-72.2	179.5	139.4	0	0	107.6	V55 D59	V55-E57 PolarHBondContact O-N 3.1Å; E57-D59 HydrophobicContact CB-CB 4.12Å; E57-D59 PolarHBondContact O-N 3.1Å
58	P	40	Very low	47.4	Very low	116 Å²	116	144.8 Å²	144.8	75%	0.753	73%	0.729	S	S	*	*			trans	-75.1	62.3	174.1	32.1	-31.8	0	0	0	109.2	H60	P58-H60 PolarHBondContact O-N 3.43Å
59	D	35.7	Very low	50.6	Low	127 Å²	127	138 Å²	138	68%	0.679	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	29.4	-169.6	-121.8	21.8	0	0	0	113	E57	E57-D59 HydrophobicContact CB-CB 4.12Å; E57-D59 PolarHBondContact O-N 3.1Å
60	H	39.6	Very low	53.9	Low	188 Å²	188	133.4 Å²	133.4	87%	0.87	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	14.6	173.5	-67.3	-37.9	0	0	0	113.8	P58 Q62	P58-H60 PolarHBondContact O-N 3.43Å; H60-Q62 VanDerWaalsContact C-N 3.31Å; H60-Q62 PolarHBondContact O-N 3Å
61	L	49.3	Very low	57.2	Low	113 Å²	113	135.6 Å²	135.6	59%	0.592	68%	0.684	S	S	*	*			trans	-71	96.3	159.4	-88.6	157.1	0	0	0	107.3	R63 Q111	L61-R63 PolarHBondContact O-N 3.39Å; L61-Q111 HydrophobicContact CD2-CG 4.16Å
62	Q	49.9	Very low	60.5	Low	167 Å²	167	132.5 Å²	132.5	78%	0.78	68%	0.682	S	S	*	*			trans	-46.8	116.3	165	-152.3	170.8	18.2	0	0	106.3	H60 V64	H60-Q62 VanDerWaalsContact C-N 3.31Å; H60-Q62 PolarHBondContact O-N 3Å; Q62-V64 HydrophobicContact CB-CG2 4.12Å; Q62-V64 HydrophobicContact CG-CG2 4.32Å; Q62-V64 WeakPolarHBondContact O-CG2 3.49Å; Q62-V64 PolarHBondContact O-N 3.02Å
63	R	57.2	Low	64	Low	250 Å²	250	134.6 Å²	134.6	94%	0.943	68%	0.679	S	S	*	*			trans	-74.1	71.5	-174	-157	-176.4	-154.2	-177.9	8	108.3	L61 S65	L61-R63 PolarHBondContact O-N 3.39Å; R63-S65 PolarHBondContact O-N 3.43Å
64	V	74.7	Confident	67.3	Low	64 Å²	64	131.8 Å²	131.8	39%	0.388	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-77.2	120.2	179.3	-165.5	0	0	0	0	107.2	Q62 L66 L110	Q62-V64 HydrophobicContact CB-CG2 4.12Å; Q62-V64 HydrophobicContact CG-CG2 4.32Å; Q62-V64 WeakPolarHBondContact O-CG2 3.49Å; Q62-V64 PolarHBondContact O-N 3.02Å; V64-L66 PolarHBondContact O-N 3.48Å; V64-L110 HydrophobicContact CB-CB 4.16Å; V64-L110 HydrophobicContact CB-CD1 4.21Å; V64-L110 HydrophobicContact CG1-CB 4.08Å; V64-L110 HydrophobicContact CG1-CD1 3.86Å; V64-L110 HydrophobicContact CG1-CD2 3.81Å; V64-L110 HydrophobicContact CG1-CG 4.11Å
65	S	88.6	Confident	70.7	Confident	107 Å²	107	135.1 Å²	135.1	75%	0.748	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-67.6	131.7	176	-175.7	0	0	0	0	109.1	R63	R63-S65 PolarHBondContact O-N 3.43Å
66	L	94.1	Very high	73.9	Confident	65 Å²	65	135.4 Å²	135.4	34%	0.34	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-60.7	143.7	168.5	-70	171.2	0	0	0	109.5	V64 E106 Q107 L110	V64-L66 PolarHBondContact O-N 3.48Å; L66-E106 HydrophobicContact CD2-CB 3.66Å; L66-Q107 HydrophobicContact CD1-CG 4.19Å; L66-Q107 HydrophobicContact CD2-CG 3.89Å; L66-L110 HydrophobicContact CD2-CD1 3.84Å
67	P	94.7	Very high	77.2	Confident	63 Å²	63	132.5 Å²	132.5	41%	0.409	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-64.1	165.5	172	28.8	-34.4	0	0	0	110.3	M69 E106	P67-M69 HydrophobicContact CG-CG 4.42Å; P67-M69 WeakPolarHBondContact O-CG 3.48Å; P67-M69 PolarHBondContact O-N 3.25Å; P67-E106 HydrophobicContact CG-CG 4.39Å
68	R	96.3	Very high	80.4	Confident	235 Å²	235	129.4 Å²	129.4	89%	0.887	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-59.9	122.8	168.6	175	-178.6	169.7	127.8	-1.6	108.7
69	M	97.4	Very high	83	Confident	53 Å²	53	127.4 Å²	127.4	26%	0.261	65%	0.651	S	S	.	*			trans	-122.9	145.1	175.9	-59.3	176.8	80.9	0	0	109.7	P67 Y71 D102 I103 E106	P67-M69 HydrophobicContact CG-CG 4.42Å; P67-M69 WeakPolarHBondContact O-CG 3.48Å; P67-M69 PolarHBondContact O-N 3.25Å; M69-Y71 HydrophobicContact CB-CD1 3.68Å; M69-Y71 HydrophobicContact CB-CE1 3.73Å; M69-D102 HydrophobicContact CE-CB 3.83Å; M69-I103 HydrophobicContact CE-CG1 4.23Å; M69-I103 HydrophobicContact SD-CG1 4.35Å; M69-E106 HydrophobicContact CE-CG 3.81Å; M69-E106 HydrophobicContact SD-CB 4.42Å; M69-E106 HydrophobicContact SD-CG 3.96Å
70	V	97.6	Very high	85.9	Confident	132 Å²	132	125.3 Å²	125.3	80%	0.8	65%	0.646	S	S	*	*			trans	-113.6	114.9	174	-178.9	0	0	0	0	107.4
71	Y	97.1	Very high	88.5	Confident	111 Å²	111	117.1 Å²	117.1	44%	0.435	61%	0.607	S	S	.	*			trans	-145.9	161.1	-179.2	50	-103.6	0	0	0	110.4	M69 Q73 I103	M69-Y71 HydrophobicContact CB-CD1 3.68Å; M69-Y71 HydrophobicContact CB-CE1 3.73Å; Y71-Q73 PolarHBondContact O-N 3.34Å; Y71-I103 HydrophobicContact CD1-CD1 3.98Å; Y71-I103 HydrophobicContact CD1-CG1 4.12Å; Y71-I103 HydrophobicContact CD2-CD1 4.19Å; Y71-I103 HydrophobicContact CE1-CD1 3.72Å; Y71-I103 HydrophobicContact CE1-CG1 4.02Å; Y71-I103 HydrophobicContact CE2-CD1 3.97Å; Y71-I103 HydrophobicContact CG-CD1 4.21Å
72	P	97.4	Very high	90.7	Very high	115 Å²	115	120.5 Å²	120.5	75%	0.747	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-56.4	131	176.9	-26	35.4	0	0	0	112.2
73	Q	97.4	Very high	92.6	Very high	169 Å²	169	116.4 Å²	116.4	79%	0.79	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-60.7	131.4	178.4	-172.8	-179.2	10	0	0	110.6	Y71 K75	Y71-Q73 PolarHBondContact O-N 3.34Å; Q73-K75 PolarHBondContact O-N 3.04Å
74	P	97.3	Very high	94.2	Very high	97 Å²	97	106.2 Å²	106.2	63%	0.63	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-57.8	125.9	172.5	-24.3	34	0	0	0	111.1	V76	P74-V76 PolarHBondContact O-N 2.96Å
75	K	97.1	Very high	94.9	Very high	157 Å²	157	109.4 Å²	109.4	68%	0.683	58%	0.581	S	S	*	*			trans	-89.3	93.5	-179.3	-65.3	-177.2	-179.2	-179.4	0	110.1	Q73 L77 T78	Q73-K75 PolarHBondContact O-N 3.04Å; K75-L77 VanDerWaalsContact C-N 3.26Å; K75-L77 PolarHBondContact O-N 3.16Å; K75-L77 VanDerWaalsContact O-N 3.17Å; K75-T78 PolarHBondContact O-N 2.92Å
76	V	95.9	Very high	95	Very high	140 Å²	140	109 Å²	109	85%	0.848	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-41	-175.8	179.6	0	0	0	0	113.3	P74 T78	P74-V76 PolarHBondContact O-N 2.96Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.47Å
77	L	96.3	Very high	95.1	Very high	170 Å²	170	106.1 Å²	106.1	89%	0.89	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	8.5	-178.5	-57.9	-179.4	0	0	0	113.5	K75	K75-L77 VanDerWaalsContact C-N 3.26Å; K75-L77 PolarHBondContact O-N 3.16Å; K75-L77 VanDerWaalsContact O-N 3.17Å
78	T	95.8	Very high	95.2	Very high	78 Å²	78	108.6 Å²	108.6	48%	0.479	57%	0.574	S	S	.	*	S	Bend	trans	-125	112.8	178.3	-54.7	0	0	0	0	109.6	K75 V76 C80	K75-T78 PolarHBondContact O-N 2.92Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.47Å; T78-C80 PolarHBondContact O-N 3.41Å
79	P	94.6	Very high	95.3	Very high	74 Å²	74	100.4 Å²	100.4	48%	0.481	54%	0.543	S	S	.	.			trans	-64.8	140.3	178.4	28.6	-35.7	0	0	0	110.3	R81 K82	P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 2.88Å; P79-K82 HydrophobicContact CB-CG 4.43Å; P79-K82 HydrophobicContact CG-CD 4.28Å; P79-K82 HydrophobicContact CG-CG 3.56Å
80	C	94.9	Very high	95.3	Very high	84 Å²	84	105.3 Å²	105.3	57%	0.568	57%	0.57	S	S	*	*	S	Bend	trans	-66.3	-30.8	177.5	58.5	0	0	0	0	112.5	T78 G97	T78-C80 PolarHBondContact O-N 3.41Å; C80-G97 WeakPolarHBondContact CB-O 3.42Å
81	R	95.2	Very high	95.4	Very high	15 Å²	15	99.2 Å²	99.2	6%	0.057	53%	0.533	C	S	.	.			trans	-140	138.3	173.1	-65.5	-69	-66.8	-94.8	-3	109.1	P79 D83 V84 E96 T98 E321 V334	P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 2.88Å; R81-D83 IonicContact CZ-OD1 3.44Å; R81-D83 IonicContact CZ-OD2 3.61Å; R81-D83 IonicContact NE-OD1 3.7Å; R81-D83 PolarHBondContact NE-OD1 2.74Å; R81-D83 IonicContact NE-OD2 3.81Å; R81-D83 PolarHBondContact NE-OD2 3.49Å; R81-D83 IonicContact NH2-OD1 2.68Å; R81-D83 IonicContact NH2-OD2 3.7Å; R81-D83 PolarHBondContact NH2-OD2 3.09Å; R81-V84 HydrophobicContact CB-CG2 3.6Å; R81-V84 HydrophobicContact CG-CG2 4.02Å; R81-E96 PolarHBondContact NH1-O 2.88Å; R81-T98 HydrophobicContact CG-CG2 4.02Å; R81-E321 IonicContact NH1-OE1 3.3Å; R81-V334 PolarHBondContact NH2-O 2.8Å
82	K	94.3	Very high	95.4	Very high	185 Å²	185	96.7 Å²	96.7	80%	0.804	53%	0.531	S	S	*	.	S	Bend	trans	-105.3	-4.2	178.7	-69.2	-176.9	179.5	-177.5	0	112.8	P79	P79-K82 HydrophobicContact CB-CG 4.43Å; P79-K82 HydrophobicContact CG-CD 4.28Å; P79-K82 HydrophobicContact CG-CG 3.56Å
83	D	91	Very high	95.4	Very high	81 Å²	81	91.7 Å²	91.7	43%	0.433	50%	0.498	S	S	.	.	S	Bend	trans	-119.3	1	-162	55.9	-44.5	0	0	0	113	R81	R81-D83 IonicContact CZ-OD1 3.44Å; R81-D83 IonicContact CZ-OD2 3.61Å; R81-D83 IonicContact NE-OD1 3.7Å; R81-D83 PolarHBondContact NE-OD1 2.74Å; R81-D83 IonicContact NE-OD2 3.81Å; R81-D83 PolarHBondContact NE-OD2 3.49Å; R81-D83 IonicContact NH2-OD1 2.68Å; R81-D83 IonicContact NH2-OD2 3.7Å; R81-D83 PolarHBondContact NH2-OD2 3.09Å
84	V	90.9	Very high	95.5	Very high	35 Å²	35	84 Å²	84	21%	0.212	46%	0.462	C	S	.	.	S	Bend	trans	-142.9	164.6	-178.3	-57	0	0	0	0	111.3	R81 W95 V334	R81-V84 HydrophobicContact CB-CG2 3.6Å; R81-V84 HydrophobicContact CG-CG2 4.02Å; V84-W95 HydrophobicContact CB-CD2 4.28Å; V84-W95 HydrophobicContact CB-CG 4.46Å; V84-W95 HydrophobicContact CB-CZ2 4.27Å; V84-W95 HydrophobicContact CG1-CD2 3.85Å; V84-W95 HydrophobicContact CG1-CE3 4.13Å; V84-W95 HydrophobicContact CG1-CG 4.41Å; V84-W95 HydrophobicContact CG1-CH2 4.06Å; V84-W95 HydrophobicContact CG1-CZ2 3.8Å; V84-W95 HydrophobicContact CG1-CZ3 4.19Å; V84-W95 HydrophobicContact CG2-CD2 4.27Å; V84-W95 HydrophobicContact CG2-CG 3.97Å; V84-V334 HydrophobicContact CG1-CG2 3.84Å
85	L	89.4	Confident	95.6	Very high	132 Å²	132	79.9 Å²	79.9	69%	0.691	43%	0.434	S	S	*	.			trans	-101.9	167.1	-172.5	-67.9	121.9	0	0	0	113.6	I93	L85-I93 WeakPolarHBondContact O-CD1 3.38Å
86	V	89.6	Confident	95.6	Very high	98 Å²	98	74.9 Å²	74.9	59%	0.594	41%	0.413	S	S	*	.			trans	-109.4	151.8	160.1	178.1	0	0	0	0	107.8
87	T	96.7	Very high	95.7	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.025	39%	0.389	C	S	.	.			trans	-68.6	150.8	-179.7	70.2	0	0	0	0	112	W89 L90 A91 I93 F262 V317	T87-W89 HydrophobicContact CG2-CH2 4.09Å; T87-W89 HydrophobicContact CG2-CZ2 3.69Å; T87-W89 PolarHBondContact O-N 3.41Å; T87-L90 PolarHBondContact O-N 2.77Å; T87-L90 VanDerWaalsContact O-N 3.17Å; T87-L90 PolarHBondContact OG1-N 3.2Å; T87-A91 WeakPolarHBondContact CB-O 3.33Å; T87-A91 HydrophobicContact CG2-CB 4.25Å; T87-A91 WeakPolarHBondContact CG2-O 3.49Å; T87-A91 PolarHBondContact N-O 3.03Å; T87-A91 WeakPolarHBondContact OG1-CA 3.38Å; T87-A91 WeakPolarHBondContact OG1-CB 3.2Å; T87-A91 PolarHBondContact OG1-N 3.01Å; T87-A91 PolarHBondContact OG1-O 2.75Å; T87-I93 HydrophobicContact CG2-CD1 3.99Å; T87-I93 HydrophobicContact CG2-CG1 3.68Å; T87-F262 HydrophobicContact CG2-CE2 3.9Å; T87-F262 HydrophobicContact CG2-CZ 4.31Å; T87-V317 HydrophobicContact CG2-CB 4.45Å; T87-V317 HydrophobicContact CG2-CG2 3.86Å
88	P	97.7	Very high	95.8	Very high	115 Å²	115	64.2 Å²	64.2	75%	0.747	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.6	175.7	-25.2	35.5	0	0	0	115
89	W	98.4	Very high	95.9	Very high	63 Å²	63	62.9 Å²	62.9	24%	0.239	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	20.5	177.3	62.5	88.6	0	0	0	113.1	T87 A91 D261 F262 K313 P314 V317	T87-W89 HydrophobicContact CG2-CH2 4.09Å; T87-W89 HydrophobicContact CG2-CZ2 3.69Å; T87-W89 PolarHBondContact O-N 3.41Å; W89-A91 PolarHBondContact O-N 3.06Å; W89-D261 HydrophobicContact CH2-CB 3.73Å; W89-D261 HydrophobicContact CZ3-CB 3.68Å; W89-D261 VanDerWaalsContact CZ3-CG 3.49Å; W89-D261 WeakPolarHBondContact CZ3-OD1 3.36Å; W89-F262 AromaticContact CH2-CD2 3.86Å; W89-F262 HydrophobicContact CH2-CD2 3.86Å; W89-F262 AromaticContact CH2-CE2 3.6Å; W89-F262 HydrophobicContact CH2-CE2 3.6Å; W89-F262 HydrophobicContact CZ2-CE2 4.34Å; W89-F262 HydrophobicContact CZ3-CE2 4.24Å; W89-K313 HydrophobicContact CD2-CB 4.11Å; W89-K313 HydrophobicContact CD2-CD 4.3Å; W89-K313 HydrophobicContact CD2-CG 4.19Å; W89-K313 HydrophobicContact CE3-CD 4.27Å; W89-K313 HydrophobicContact CG-CB 4.05Å; W89-K313 HydrophobicContact CG-CG 4.25Å; W89-K313 HydrophobicContact CZ3-CD 4.4Å; W89-P314 HydrophobicContact CZ2-CG 4.1Å; W89-P314 PolarHBondContact NE1-O 3.48Å; W89-V317 HydrophobicContact CZ2-CG2 4.19Å
90	L	97.7	Very high	96.1	Very high	156 Å²	156	61.7 Å²	61.7	82%	0.817	34%	0.339	S	S	*	.	S	Bend	trans	66.3	13	173.4	-49.7	178.3	0	0	0	115.8	T87	T87-L90 PolarHBondContact O-N 2.77Å; T87-L90 VanDerWaalsContact O-N 3.17Å; T87-L90 PolarHBondContact OG1-N 3.2Å
91	A	97.9	Very high	96.2	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.033	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-73.8	134	164.4	0	0	0	0	0	110.2	T87 W89 P314 T315	T87-A91 WeakPolarHBondContact CB-O 3.33Å; T87-A91 HydrophobicContact CG2-CB 4.25Å; T87-A91 WeakPolarHBondContact CG2-O 3.49Å; T87-A91 PolarHBondContact N-O 3.03Å; T87-A91 WeakPolarHBondContact OG1-CA 3.38Å; T87-A91 WeakPolarHBondContact OG1-CB 3.2Å; T87-A91 PolarHBondContact OG1-N 3.01Å; T87-A91 PolarHBondContact OG1-O 2.75Å; W89-A91 PolarHBondContact O-N 3.06Å; A91-P314 VanDerWaalsContact CB-O 3.23Å; A91-P314 WeakPolarHBondContact CB-O 3.41Å; A91-T315 VanDerWaalsContact CB-O 3.29Å; A91-T315 WeakPolarHBondContact CB-O 3.33Å
92	P	97.6	Very high	96.4	Very high	59 Å²	59	63.5 Å²	63.5	38%	0.383	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-69.5	142.8	175.4	30.6	-34.8	0	0	0	110.2	T315 K316 V317	P92-T315 WeakPolarHBondContact CD-O 3.23Å; P92-K316 HydrophobicContact CG-CB 4.47Å; P92-K316 HydrophobicContact CG-CD 4.35Å; P92-K316 HydrophobicContact CG-CG 3.8Å; P92-V317 PolarHBondContact O-N 2.63Å
93	I	98.5	Very high	96.6	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.8	164.5	-47.8	-173.6	0	0	0	107.1	L85 T87 W95 L231 F262 V317	L85-I93 WeakPolarHBondContact O-CD1 3.38Å; T87-I93 HydrophobicContact CG2-CD1 3.99Å; T87-I93 HydrophobicContact CG2-CG1 3.68Å; I93-W95 VanDerWaalsContact O-CD1 3.31Å; I93-W95 PolarHBondContact O-N 2.55Å; I93-L231 HydrophobicContact CG2-CD1 4.23Å; I93-F262 HydrophobicContact CD1-CE1 4.32Å; I93-F262 HydrophobicContact CD1-CZ 3.84Å; I93-V317 CarbonylContact C-O 3.59Å; I93-V317 WeakPolarHBondContact CA-O 3.16Å; I93-V317 HydrophobicContact CG1-CB 4.25Å; I93-V317 HydrophobicContact CG2-CB 4.35Å; I93-V317 HydrophobicContact CG2-CG1 4.26Å
94	V	98.6	Very high	96.9	Very high	6 Å²	6	54 Å²	54	4%	0.036	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	107.4	-171.4	-172.9	0	0	0	0	109.8	F99 E222 K316 V317 L318 S319 Y322	V94-F99 HydrophobicContact CG1-CD1 4.06Å; V94-F99 HydrophobicContact CG1-CE1 4.01Å; V94-E222 HydrophobicContact CG1-CB 4.33Å; V94-E222 HydrophobicContact CG1-CG 3.76Å; V94-K316 HydrophobicContact CG2-CB 4.41Å; V94-K316 HydrophobicContact CG2-CD 4.18Å; V94-V317 PolarHBondContact N-O 3.28Å; V94-L318 HydrophobicContact CB-CD2 3.92Å; V94-L318 HydrophobicContact CG2-CD2 3.76Å; V94-S319 WeakPolarHBondContact O-CB 3.1Å; V94-S319 PolarHBondContact O-N 3.07Å; V94-S319 VanDerWaalsContact O-N 3.16Å; V94-S319 PolarHBondContact O-OG 3.24Å; V94-Y322 HydrophobicContact CB-CE2 4.2Å; V94-Y322 HydrophobicContact CG1-CE2 3.8Å; V94-Y322 WeakPolarHBondContact CG1-OH 3.37Å
95	W	98.7	Very high	97.3	Very high	11 Å²	11	53.9 Å²	53.9	4%	0.042	30%	0.299	C	S	.	.			trans	-124.4	155.1	174.4	-66	89.8	0	0	0	110.7	V84 I93 G97 T98 S319 P320 E321 V334 L335	V84-W95 HydrophobicContact CB-CD2 4.28Å; V84-W95 HydrophobicContact CB-CG 4.46Å; V84-W95 HydrophobicContact CB-CZ2 4.27Å; V84-W95 HydrophobicContact CG1-CD2 3.85Å; V84-W95 HydrophobicContact CG1-CE3 4.13Å; V84-W95 HydrophobicContact CG1-CG 4.41Å; V84-W95 HydrophobicContact CG1-CH2 4.06Å; V84-W95 HydrophobicContact CG1-CZ2 3.8Å; V84-W95 HydrophobicContact CG1-CZ3 4.19Å; V84-W95 HydrophobicContact CG2-CD2 4.27Å; V84-W95 HydrophobicContact CG2-CG 3.97Å; I93-W95 VanDerWaalsContact O-CD1 3.31Å; I93-W95 PolarHBondContact O-N 2.55Å; W95-G97 PolarHBondContact O-N 3.4Å; W95-T98 HydrophobicContact CB-CG2 3.83Å; W95-T98 PolarHBondContact N-OG1 2.94Å; W95-T98 WeakPolarHBondContact O-CB 3.41Å; W95-T98 WeakPolarHBondContact O-CG2 3.44Å; W95-T98 PolarHBondContact O-N 3.34Å; W95-T98 PolarHBondContact O-OG1 3.46Å; W95-S319 VanDerWaalsContact CE3-CB 3.45Å; W95-P320 HydrophobicContact CH2-CG 4.38Å; W95-E321 HydrophobicContact CE3-CG 4.11Å; W95-E321 HydrophobicContact CZ3-CG 4.4Å; W95-V334 HydrophobicContact CH2-CG2 4.28Å; W95-V334 HydrophobicContact CZ3-CG2 4.09Å; W95-L335 HydrophobicContact CH2-CD2 4.42Å; W95-L335 HydrophobicContact CZ3-CD2 3.79Å
96	E	98.6	Very high	97.7	Very high	53 Å²	53	49.5 Å²	49.5	25%	0.248	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	132.4	170.8	-175.2	58	-160.5	0	0	111.1	R81 E321 R336 K337 R339	R81-E96 PolarHBondContact NH1-O 2.88Å; E96-E321 WeakPolarHBondContact CB-OE1 3.27Å; E96-E321 WeakPolarHBondContact CB-OE2 3.38Å; E96-E321 PolarHBondContact N-OE1 2.97Å; E96-E321 PolarHBondContact N-OE2 3.41Å; E96-R336 HydrophobicContact CB-CB 3.91Å; E96-R336 HydrophobicContact CG-CB 3.98Å; E96-K337 HydrophobicContact CB-CD 4.47Å; E96-K337 HydrophobicContact CB-CG 4.49Å; E96-K337 HydrophobicContact CG-CD 4.03Å; E96-K337 HydrophobicContact CG-CG 4.19Å; E96-K337 WeakPolarHBondContact OE2-CD 3.49Å; E96-R339 IonicContact OE2-CZ 2.83Å; E96-R339 IonicContact OE2-NH1 3.21Å; E96-R339 IonicContact OE2-NH2 3.12Å; E96-R339 PolarHBondContact OE2-NH2 3.16Å
97	G	97.4	Very high	98	Very high	33 Å²	33	48.4 Å²	48.4	34%	0.34	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-3.2	-175.5	0	0	0	0	0	115.2	C80 W95	C80-G97 WeakPolarHBondContact CB-O 3.42Å; W95-G97 PolarHBondContact O-N 3.4Å
98	T	98	Very high	98.1	Very high	53 Å²	53	49.1 Å²	49.1	33%	0.325	27%	0.267	S	S	.	.	S	Bend	trans	-90.4	-10.7	178.1	63.7	0	0	0	0	114.1	R81 W95	R81-T98 HydrophobicContact CG-CG2 4.02Å; W95-T98 HydrophobicContact CB-CG2 3.83Å; W95-T98 PolarHBondContact N-OG1 2.94Å; W95-T98 WeakPolarHBondContact O-CB 3.41Å; W95-T98 WeakPolarHBondContact O-CG2 3.44Å; W95-T98 PolarHBondContact O-N 3.34Å; W95-T98 PolarHBondContact O-OG1 3.46Å
99	F	98.1	Very high	98	Very high	49 Å²	49	49.5 Å²	49.5	22%	0.215	25%	0.253	C	S	.	.			trans	-135.3	155.6	-177.1	59.2	-87.9	0	0	0	111.5	V94 I101 L104 E222	V94-F99 HydrophobicContact CG1-CD1 4.06Å; V94-F99 HydrophobicContact CG1-CE1 4.01Å; F99-I101 HydrophobicContact CD2-CB 4.18Å; F99-I101 HydrophobicContact CD2-CD1 4.43Å; F99-I101 HydrophobicContact CE2-CB 4.1Å; F99-I101 HydrophobicContact CE2-CD1 4.25Å; F99-L104 HydrophobicContact CB-CD1 3.79Å; F99-L104 HydrophobicContact CD2-CD1 4.12Å; F99-L104 HydrophobicContact CG-CD1 4.25Å; F99-E222 HydrophobicContact CD1-CB 4.13Å; F99-E222 HydrophobicContact CD1-CG 4.16Å; F99-E222 HydrophobicContact CD2-CB 3.88Å; F99-E222 HydrophobicContact CD2-CG 4.26Å; F99-E222 HydrophobicContact CE1-CB 4.32Å; F99-E222 HydrophobicContact CE1-CG 3.86Å; F99-E222 HydrophobicContact CE2-CB 4.07Å; F99-E222 HydrophobicContact CE2-CG 3.95Å; F99-E222 HydrophobicContact CG-CB 3.92Å; F99-E222 HydrophobicContact CG-CG 4.36Å; F99-E222 HydrophobicContact CZ-CB 4.29Å; F99-E222 HydrophobicContact CZ-CG 3.75Å
100	N	98.5	Very high	97.9	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	26%	0.258	S	S	.	.			trans	-104.7	112.9	165	-179.7	-39.5	0	0	0	107.7	D102 I103 L104	N100-D102 VanDerWaalsContact C-N 3.3Å; N100-D102 PolarHBondContact O-N 2.94Å; N100-D102 WeakPolarHBondContact OD1-CB 3.47Å; N100-D102 PolarHBondContact OD1-N 3.44Å; N100-I103 HydrophobicContact CB-CD1 3.98Å; N100-I103 HydrophobicContact CB-CG1 4.21Å; N100-I103 PolarHBondContact O-N 3.48Å; N100-I103 PolarHBondContact OD1-N 2.91Å; N100-L104 WeakPolarHBondContact O-CG 3.36Å; N100-L104 PolarHBondContact O-N 3Å
101	I	98.5	Very high	97.8	Very high	43 Å²	43	46.3 Å²	46.3	22%	0.221	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-28.3	-173	-166.5	53.9	0	0	0	112.9	F99 L104 N105 H218 V221 E222	F99-I101 HydrophobicContact CD2-CB 4.18Å; F99-I101 HydrophobicContact CD2-CD1 4.43Å; F99-I101 HydrophobicContact CE2-CB 4.1Å; F99-I101 HydrophobicContact CE2-CD1 4.25Å; I101-L104 PolarHBondContact O-N 3.28Å; I101-N105 WeakPolarHBondContact O-CB 3.36Å; I101-N105 PolarHBondContact O-N 2.63Å; I101-N105 PolarHBondContact O-ND2 3.49Å; I101-H218 WeakPolarHBondContact CD1-NE2 3.41Å; I101-V221 HydrophobicContact CD1-CG2 4.21Å; I101-E222 WeakPolarHBondContact CD1-OE2 3.41Å
102	D	98.3	Very high	97.8	Very high	94 Å²	94	51.1 Å²	51.1	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-44.2	179.9	-58.1	-40.3	0	0	0	110.7	M69 N100 N105 E106	M69-D102 HydrophobicContact CE-CB 3.83Å; N100-D102 VanDerWaalsContact C-N 3.3Å; N100-D102 PolarHBondContact O-N 2.94Å; N100-D102 WeakPolarHBondContact OD1-CB 3.47Å; N100-D102 PolarHBondContact OD1-N 3.44Å; D102-N105 PolarHBondContact O-N 3.34Å; D102-E106 PolarHBondContact O-N 3.32Å
103	I	98.3	Very high	97.8	Very high	37 Å²	37	48.4 Å²	48.4	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-47.3	177.7	-60.9	177.2	0	0	0	109.9	M69 Y71 N100 E106 Q107	M69-I103 HydrophobicContact CE-CG1 4.23Å; M69-I103 HydrophobicContact SD-CG1 4.35Å; Y71-I103 HydrophobicContact CD1-CD1 3.98Å; Y71-I103 HydrophobicContact CD1-CG1 4.12Å; Y71-I103 HydrophobicContact CD2-CD1 4.19Å; Y71-I103 HydrophobicContact CE1-CD1 3.72Å; Y71-I103 HydrophobicContact CE1-CG1 4.02Å; Y71-I103 HydrophobicContact CE2-CD1 3.97Å; Y71-I103 HydrophobicContact CG-CD1 4.21Å; N100-I103 HydrophobicContact CB-CD1 3.98Å; N100-I103 HydrophobicContact CB-CG1 4.21Å; N100-I103 PolarHBondContact O-N 3.48Å; N100-I103 PolarHBondContact OD1-N 2.91Å; I103-E106 PolarHBondContact O-N 2.91Å; I103-Q107 WeakPolarHBondContact O-CG 3.23Å; I103-Q107 PolarHBondContact O-N 2.91Å; I103-Q107 VanDerWaalsContact O-N 3.07Å
104	L	98.4	Very high	97.8	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-43.3	179.4	-64.3	174.8	0	0	0	111.2	F99 N100 I101 E106 Q107 F108 V221 E222	F99-L104 HydrophobicContact CB-CD1 3.79Å; F99-L104 HydrophobicContact CD2-CD1 4.12Å; F99-L104 HydrophobicContact CG-CD1 4.25Å; N100-L104 WeakPolarHBondContact O-CG 3.36Å; N100-L104 PolarHBondContact O-N 3Å; I101-L104 PolarHBondContact O-N 3.28Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 2.98Å; L104-Q107 PolarHBondContact O-N 3.47Å; L104-F108 WeakPolarHBondContact O-CD2 3.47Å; L104-F108 PolarHBondContact O-N 3.41Å; L104-V221 HydrophobicContact CB-CG2 3.82Å; L104-E222 HydrophobicContact CD1-CB 3.62Å
105	N	98.5	Very high	97.8	Very high	31 Å²	31	48.4 Å²	48.4	17%	0.166	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-42.6	177.3	-83.4	-25.9	0	0	0	112	I101 D102 R109 H144 V221	I101-N105 WeakPolarHBondContact O-CB 3.36Å; I101-N105 PolarHBondContact O-N 2.63Å; I101-N105 PolarHBondContact O-ND2 3.49Å; D102-N105 PolarHBondContact O-N 3.34Å; N105-R109 WeakPolarHBondContact O-CB 3.42Å; N105-R109 VanDerWaalsContact O-CG 3.24Å; N105-R109 WeakPolarHBondContact O-CG 3.45Å; N105-R109 PolarHBondContact O-N 2.82Å; N105-R109 PolarHBondContact O-NE 3.36Å; N105-H144 PolarHBondContact OD1-NE2 2.73Å; N105-V221 WeakPolarHBondContact OD1-CG2 3.33Å
106	E	97.8	Very high	97.8	Very high	40 Å²	40	47.9 Å²	47.9	19%	0.187	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-48.4	173.9	-73.5	-63	158.3	0	0	111.3	L66 P67 M69 D102 I103 L104 F108 R109 L110	L66-E106 HydrophobicContact CD2-CB 3.66Å; P67-E106 HydrophobicContact CG-CG 4.39Å; M69-E106 HydrophobicContact CE-CG 3.81Å; M69-E106 HydrophobicContact SD-CB 4.42Å; M69-E106 HydrophobicContact SD-CG 3.96Å; D102-E106 PolarHBondContact O-N 3.32Å; I103-E106 PolarHBondContact O-N 2.91Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 2.98Å; E106-F108 VanDerWaalsContact C-N 3.34Å; E106-F108 PolarHBondContact O-N 3.43Å; E106-R109 PolarHBondContact O-N 2.98Å; E106-R109 IonicContact OE1-CZ 2.7Å; E106-R109 IonicContact OE1-NH1 2.88Å; E106-R109 IonicContact OE1-NH2 3.75Å; E106-R109 PolarHBondContact OE1-NH2 2.93Å; E106-R109 IonicContact OE2-NH2 3.42Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.33Å; E106-L110 PolarHBondContact O-N 3.26Å
107	Q	96.8	Very high	97.9	Very high	76 Å²	76	45.3 Å²	45.3	36%	0.355	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-44.9	-179.1	-73.4	176.2	-29.1	0	0	113.4	L66 I103 L104 Q111	L66-Q107 HydrophobicContact CD1-CG 4.19Å; L66-Q107 HydrophobicContact CD2-CG 3.89Å; I103-Q107 WeakPolarHBondContact O-CG 3.23Å; I103-Q107 PolarHBondContact O-N 2.91Å; I103-Q107 VanDerWaalsContact O-N 3.07Å; L104-Q107 PolarHBondContact O-N 3.47Å; Q107-Q111 WeakPolarHBondContact O-CG 3.14Å; Q107-Q111 PolarHBondContact O-NE2 2.97Å
108	F	97.6	Very high	97.9	Very high	19 Å²	19	43.8 Å²	43.8	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-82	-30.6	-178.8	-75.5	-84.6	0	0	0	112.8	L104 E106 Q111 N112 T113 Y205 V221 L224	L104-F108 WeakPolarHBondContact O-CD2 3.47Å; L104-F108 PolarHBondContact O-N 3.41Å; E106-F108 VanDerWaalsContact C-N 3.34Å; E106-F108 PolarHBondContact O-N 3.43Å; F108-Q111 PolarHBondContact O-N 3.38Å; F108-N112 PolarHBondContact O-N 3.48Å; F108-T113 HydrophobicContact CD1-CG2 4.1Å; F108-T113 PolarHBondContact O-N 3.02Å; F108-T113 PolarHBondContact O-OG1 2.82Å; F108-T113 VanDerWaalsContact O-OG1 3.06Å; F108-Y205 HydrophobicContact CE1-CE2 4.06Å; F108-V221 HydrophobicContact CB-CB 4.2Å; F108-V221 HydrophobicContact CB-CG1 3.93Å; F108-V221 HydrophobicContact CB-CG2 4.5Å; F108-V221 HydrophobicContact CD2-CB 3.64Å; F108-V221 HydrophobicContact CD2-CG1 4.31Å; F108-V221 HydrophobicContact CD2-CG2 3.88Å; F108-V221 HydrophobicContact CE2-CB 4.16Å; F108-V221 HydrophobicContact CG-CB 3.94Å; F108-V221 HydrophobicContact CG-CG1 4.11Å; F108-V221 HydrophobicContact CG-CG2 4.45Å; F108-L224 HydrophobicContact CD1-CD1 3.95Å; F108-L224 HydrophobicContact CE1-CB 3.79Å; F108-L224 HydrophobicContact CE1-CD1 3.95Å; F108-L224 HydrophobicContact CZ-CB 3.8Å
109	R	96.4	Very high	98	Very high	122 Å²	122	41.3 Å²	41.3	46%	0.46	20%	0.201	S	C	.	.	H	α-helix	trans	-66.7	-39.1	173.2	-79.8	-172.7	-68.2	144.8	-3.3	112.4	N105 E106 Q111 N112	N105-R109 WeakPolarHBondContact O-CB 3.42Å; N105-R109 VanDerWaalsContact O-CG 3.24Å; N105-R109 WeakPolarHBondContact O-CG 3.45Å; N105-R109 PolarHBondContact O-N 2.82Å; N105-R109 PolarHBondContact O-NE 3.36Å; E106-R109 PolarHBondContact O-N 2.98Å; E106-R109 IonicContact OE1-CZ 2.7Å; E106-R109 IonicContact OE1-NH1 2.88Å; E106-R109 IonicContact OE1-NH2 3.75Å; E106-R109 PolarHBondContact OE1-NH2 2.93Å; E106-R109 IonicContact OE2-NH2 3.42Å; R109-Q111 PolarHBondContact O-N 2.83Å; R109-N112 WeakPolarHBondContact O-CA 3.32Å; R109-N112 PolarHBondContact O-N 2.68Å
110	L	96.3	Very high	98	Very high	64 Å²	64	39.8 Å²	39.8	34%	0.335	20%	0.195	S	C	.	.	H	α-helix	trans	-64.2	-23.8	176.3	-67.3	172.7	0	0	0	112.6	V64 L66 E106 N112	V64-L110 HydrophobicContact CB-CB 4.16Å; V64-L110 HydrophobicContact CB-CD1 4.21Å; V64-L110 HydrophobicContact CG1-CB 4.08Å; V64-L110 HydrophobicContact CG1-CD1 3.86Å; V64-L110 HydrophobicContact CG1-CD2 3.81Å; V64-L110 HydrophobicContact CG1-CG 4.11Å; L66-L110 HydrophobicContact CD2-CD1 3.84Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 VanDerWaalsContact O-CG 3.24Å; E106-L110 WeakPolarHBondContact O-CG 3.33Å; E106-L110 PolarHBondContact O-N 3.26Å; L110-N112 VanDerWaalsContact C-N 3.32Å
111	Q	95.4	Very high	98	Very high	88 Å²	88	37.4 Å²	37.4	41%	0.411	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.1	173	-68	171.7	60.8	0	0	112.9	L61 Q107 F108 R109 T113	L61-Q111 HydrophobicContact CD2-CG 4.16Å; Q107-Q111 WeakPolarHBondContact O-CG 3.14Å; Q107-Q111 PolarHBondContact O-NE2 2.97Å; F108-Q111 PolarHBondContact O-N 3.38Å; R109-Q111 PolarHBondContact O-N 2.83Å; Q111-T113 PolarHBondContact O-N 3.38Å
112	N	97.2	Very high	97.9	Very high	105 Å²	105	35.7 Å²	35.7	56%	0.561	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.7	-175.2	-169.5	40	0	0	0	112.9	F108 R109 L110 T114 R145	F108-N112 PolarHBondContact O-N 3.48Å; R109-N112 WeakPolarHBondContact O-CA 3.32Å; R109-N112 PolarHBondContact O-N 2.68Å; L110-N112 VanDerWaalsContact C-N 3.32Å; N112-T114 PolarHBondContact O-N 3.28Å; N112-R145 VanDerWaalsContact OD1-CD 3.25Å; N112-R145 WeakPolarHBondContact OD1-CD 3.04Å
113	T	98.2	Very high	97.8	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	16%	0.16	C	C	.	.			trans	-60.4	132.6	-171.2	-58.3	0	0	0	0	112.4	F108 Q111 I115 D204 Y205 L224	F108-T113 HydrophobicContact CD1-CG2 4.1Å; F108-T113 PolarHBondContact O-N 3.02Å; F108-T113 PolarHBondContact O-OG1 2.82Å; F108-T113 VanDerWaalsContact O-OG1 3.06Å; Q111-T113 PolarHBondContact O-N 3.38Å; T113-I115 HydrophobicContact CG2-CD1 4Å; T113-I115 HydrophobicContact CG2-CG1 4.29Å; T113-D204 VanDerWaalsContact CA-OD2 3.32Å; T113-D204 WeakPolarHBondContact CA-OD2 3.36Å; T113-D204 HydrophobicContact CG2-CB 4.25Å; T113-Y205 HydrophobicContact CG2-CD2 3.66Å; T113-Y205 HydrophobicContact CG2-CE2 3.88Å; T113-L224 HydrophobicContact CG2-CD1 4.11Å
114	T	98.9	Very high	97.7	Very high	15 Å²	15	35.7 Å²	35.7	9%	0.092	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.5	173.6	-53.1	0	0	0	0	110.4	N112 R145 V203 D204 Y205	N112-T114 PolarHBondContact O-N 3.28Å; T114-R145 WeakPolarHBondContact CA-O 3.46Å; T114-R145 HydrophobicContact CG2-CB 3.9Å; T114-R145 WeakPolarHBondContact OG1-CD 3.3Å; T114-R145 PolarHBondContact OG1-NE 2.83Å; T114-V203 HydrophobicContact CG2-CB 4.41Å; T114-V203 HydrophobicContact CG2-CG1 3.94Å; T114-D204 PolarHBondContact N-OD2 2.84Å; T114-D204 PolarHBondContact O-N 3.2Å; T114-Y205 PolarHBondContact O-N 2.76Å
115	I	98.9	Very high	97.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.2	-175.8	-54.4	85.1	0	0	0	109.9	T113 F140 M141 H144 R145 V146 H147 V207 L224	T113-I115 HydrophobicContact CG2-CD1 4Å; T113-I115 HydrophobicContact CG2-CG1 4.29Å; I115-F140 HydrophobicContact CG2-CE1 4.23Å; I115-F140 HydrophobicContact CG2-CZ 3.84Å; I115-M141 HydrophobicContact CB-CG 4.31Å; I115-M141 HydrophobicContact CD1-CB 4.42Å; I115-M141 HydrophobicContact CD1-CG 4.34Å; I115-M141 HydrophobicContact CD1-SD 4.26Å; I115-M141 HydrophobicContact CG1-CG 4.21Å; I115-M141 HydrophobicContact CG1-SD 4.11Å; I115-M141 HydrophobicContact CG2-CE 4.31Å; I115-M141 HydrophobicContact CG2-CG 4.29Å; I115-H144 HydrophobicContact CD1-CB 3.86Å; I115-R145 PolarHBondContact N-O 2.7Å; I115-V146 WeakPolarHBondContact O-CA 3.14Å; I115-H147 PolarHBondContact O-N 3.42Å; I115-V207 HydrophobicContact CG2-CG2 3.94Å; I115-L224 HydrophobicContact CD1-CD1 4.22Å; I115-L224 HydrophobicContact CG1-CD1 3.77Å; I115-L224 HydrophobicContact CG1-CD2 4.15Å; I115-L224 HydrophobicContact CG2-CD2 4.31Å
116	G	98.9	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.5	169.8	0	0	0	0	0	111.6	H147 Y205 L206 V207	G116-H147 CarbonylContact C-O 3.31Å; G116-H147 VanDerWaalsContact CA-O 3.28Å; G116-H147 WeakPolarHBondContact CA-O 3.41Å; G116-Y205 PolarHBondContact N-O 3.31Å; G116-L206 CarbonylContact O-C 3.6Å; G116-L206 WeakPolarHBondContact O-CA 3.42Å; G116-V207 PolarHBondContact O-N 2.82Å
117	L	98.9	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.6	172.4	-175.5	64.6	0	0	0	109.5	F132 F140 H147 Y148 Y149 V207 V209 F215	L117-F132 HydrophobicContact CD2-CE1 3.95Å; L117-F132 HydrophobicContact CD2-CZ 3.79Å; L117-F132 HydrophobicContact CG-CZ 4.34Å; L117-F140 HydrophobicContact CB-CE1 3.83Å; L117-F140 HydrophobicContact CB-CZ 4.08Å; L117-F140 HydrophobicContact CD1-CE1 4.33Å; L117-F140 HydrophobicContact CD1-CE2 4.1Å; L117-F140 HydrophobicContact CD1-CZ 3.87Å; L117-F140 HydrophobicContact CD2-CD1 4Å; L117-F140 HydrophobicContact CD2-CE1 4.01Å; L117-F140 HydrophobicContact CD2-CG 4.31Å; L117-F140 HydrophobicContact CD2-CZ 4.31Å; L117-F140 HydrophobicContact CG-CE1 4.28Å; L117-F140 HydrophobicContact CG-CZ 4.32Å; L117-H147 PolarHBondContact N-O 2.9Å; L117-Y148 HydrophobicContact CB-CD1 4.02Å; L117-Y148 HydrophobicContact CB-CE1 4.46Å; L117-Y148 HydrophobicContact CD2-CD1 3.79Å; L117-Y148 HydrophobicContact CD2-CE1 3.68Å; L117-Y148 HydrophobicContact CG-CD1 4.36Å; L117-Y149 PolarHBondContact O-N 2.71Å; L117-V207 WeakPolarHBondContact CA-O 3.19Å; L117-V207 HydrophobicContact CD1-CB 3.81Å; L117-V207 HydrophobicContact CD1-CG1 3.61Å; L117-V209 HydrophobicContact CD1-CG1 4.37Å; L117-V209 HydrophobicContact CD1-CG2 3.7Å; L117-V209 HydrophobicContact CG-CG2 4.38Å; L117-F215 HydrophobicContact CD2-CZ 4.39Å
118	T	98.9	Very high	97.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.7	177.5	67.4	0	0	0	0	110.5	Y149 F151 F199 L206 V207 C208 V209	T118-Y149 WeakPolarHBondContact CA-O 3.33Å; T118-Y149 HydrophobicContact CG2-CD2 4.25Å; T118-F151 HydrophobicContact CG2-CE2 4.12Å; T118-F199 HydrophobicContact CG2-CE2 4.1Å; T118-F199 HydrophobicContact CG2-CZ 3.83Å; T118-L206 HydrophobicContact CG2-CD2 3.93Å; T118-V207 PolarHBondContact N-O 2.98Å; T118-C208 WeakPolarHBondContact OG1-CA 3.4Å; T118-C208 WeakPolarHBondContact OG1-CB 3.48Å; T118-C208 PolarHBondContact OG1-SG 2.97Å; T118-V209 PolarHBondContact O-N 2.88Å
119	V	98.8	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.7	178.9	63.8	0	0	0	0	110.4	L129 F132 Y149 V150 F151 V211	V119-L129 HydrophobicContact CG1-CD2 4.38Å; V119-F132 HydrophobicContact CB-CE1 3.97Å; V119-F132 HydrophobicContact CB-CZ 3.98Å; V119-F132 HydrophobicContact CG1-CD1 4.47Å; V119-F132 HydrophobicContact CG1-CE1 3.9Å; V119-F132 HydrophobicContact CG1-CZ 4.42Å; V119-F132 HydrophobicContact CG2-CD1 4.34Å; V119-F132 HydrophobicContact CG2-CE1 3.96Å; V119-F132 HydrophobicContact CG2-CE2 4.18Å; V119-F132 HydrophobicContact CG2-CZ 3.86Å; V119-Y149 PolarHBondContact N-O 3.02Å; V119-V150 HydrophobicContact CG1-CG2 3.97Å; V119-F151 PolarHBondContact O-N 2.97Å; V119-V211 HydrophobicContact CG2-CB 3.34Å; V119-V211 HydrophobicContact CG2-CG2 3.47Å; V119-V211 VanDerWaalsContact CG2-CG2 3.47Å
120	F	98.7	Very high	97.8	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119	-178.8	-74.6	-100.5	0	0	0	110.9	F151 R187 M190 I191 V211	F120-F151 HydrophobicContact CD1-CB 3.35Å; F120-F151 HydrophobicContact CD1-CD1 4.5Å; F120-F151 AromaticContact CD1-CG 3.94Å; F120-F151 HydrophobicContact CD1-CG 3.94Å; F120-F151 HydrophobicContact CD2-CB 4.33Å; F120-F151 HydrophobicContact CD2-CD2 4.3Å; F120-F151 HydrophobicContact CD2-CG 4.48Å; F120-F151 HydrophobicContact CE1-CB 3.38Å; F120-F151 AromaticContact CE1-CD1 3.67Å; F120-F151 HydrophobicContact CE1-CD1 3.67Å; F120-F151 HydrophobicContact CE1-CD2 4.08Å; F120-F151 HydrophobicContact CE1-CE1 4.4Å; F120-F151 AromaticContact CE1-CG 3.46Å; F120-F151 HydrophobicContact CE1-CG 3.46Å; F120-F151 VanDerWaalsContact CE1-CG 3.46Å; F120-F151 HydrophobicContact CE2-CB 4.36Å; F120-F151 AromaticContact CE2-CD2 3.81Å; F120-F151 HydrophobicContact CE2-CD2 3.81Å; F120-F151 HydrophobicContact CE2-CE2 4.22Å; F120-F151 HydrophobicContact CE2-CG 4.06Å; F120-F151 HydrophobicContact CG-CB 3.84Å; F120-F151 HydrophobicContact CG-CG 4.42Å; F120-F151 HydrophobicContact CZ-CB 3.92Å; F120-F151 AromaticContact CZ-CD1 3.77Å; F120-F151 HydrophobicContact CZ-CD1 3.77Å; F120-F151 AromaticContact CZ-CD2 3.69Å; F120-F151 HydrophobicContact CZ-CD2 3.69Å; F120-F151 HydrophobicContact CZ-CE1 4.12Å; F120-F151 HydrophobicContact CZ-CE2 4.05Å; F120-F151 AromaticContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CZ 4.24Å; F120-R187 HydrophobicContact CB-CG 4.29Å; F120-R187 HydrophobicContact CD1-CG 3.85Å; F120-R187 HydrophobicContact CD2-CB 4.1Å; F120-R187 HydrophobicContact CD2-CG 3.63Å; F120-R187 HydrophobicContact CE1-CB 4.37Å; F120-R187 HydrophobicContact CE1-CG 4.07Å; F120-R187 HydrophobicContact CE2-CB 3.82Å; F120-R187 HydrophobicContact CE2-CG 3.86Å; F120-R187 HydrophobicContact CG-CB 4.49Å; F120-R187 HydrophobicContact CG-CG 3.64Å; F120-R187 HydrophobicContact CZ-CB 3.97Å; F120-R187 HydrophobicContact CZ-CG 4.08Å; F120-M190 HydrophobicContact CD1-SD 4.42Å; F120-M190 HydrophobicContact CE1-CB 3.96Å; F120-M190 HydrophobicContact CE1-CG 4.41Å; F120-M190 HydrophobicContact CE1-SD 3.58Å; F120-M190 VanDerWaalsContact CE1-SD 3.58Å; F120-M190 HydrophobicContact CZ-CB 3.88Å; F120-M190 HydrophobicContact CZ-SD 4.45Å; F120-I191 HydrophobicContact CE2-CD1 3.96Å; F120-I191 HydrophobicContact CE2-CG1 3.82Å; F120-I191 HydrophobicContact CZ-CG1 4.03Å; F120-V211 WeakPolarHBondContact O-CG1 3.45Å
121	A	98	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	78.5	178.7	0	0	0	0	0	109.8	V126 L129 F151 T152 V211	A121-V126 HydrophobicContact CB-CG1 4.22Å; A121-V126 VanDerWaalsContact O-CG1 3.31Å; A121-V126 WeakPolarHBondContact O-CG1 3.4Å; A121-L129 HydrophobicContact CB-CD1 3.52Å; A121-L129 HydrophobicContact CB-CD2 3.68Å; A121-L129 HydrophobicContact CB-CG 3.52Å; A121-F151 PolarHBondContact N-O 3.29Å; A121-T152 WeakPolarHBondContact O-CB 3.22Å; A121-T152 PolarHBondContact O-OG1 3.43Å; A121-V211 HydrophobicContact CB-CG2 4.33Å
122	I	97.3	Very high	98.1	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.036	16%	0.155	C	C	.	.			trans	-101.9	139	-174.8	-56.3	-66.9	0	0	0	110.2	K124 Y125 D153 V174 A176 V183	I122-K124 PolarHBondContact O-N 2.62Å; I122-Y125 WeakPolarHBondContact O-CB 3.33Å; I122-Y125 WeakPolarHBondContact O-CD2 3.43Å; I122-Y125 PolarHBondContact O-N 2.82Å; I122-Y125 VanDerWaalsContact O-N 3.17Å; I122-D153 WeakPolarHBondContact CA-OD1 3.32Å; I122-D153 HydrophobicContact CD1-CB 4.41Å; I122-V174 HydrophobicContact CD1-CG2 3.61Å; I122-A176 HydrophobicContact CG2-CB 3.79Å; I122-V183 HydrophobicContact CB-CG1 3.81Å; I122-V183 HydrophobicContact CG1-CG1 3.99Å; I122-V183 HydrophobicContact CG2-CG1 4Å; I122-V183 HydrophobicContact CG2-CG2 4.05Å
123	K	95.7	Very high	98.1	Very high	51 Å²	51	24.7 Å²	24.7	22%	0.222	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	54.4	-124	-177	-61	175.9	-174.1	-172.4	0	111	Y125 V126 D153 Q154 A176 Y177 K178 E353	K123-Y125 PolarHBondContact O-N 2.96Å; K123-V126 WeakPolarHBondContact O-CG2 3.46Å; K123-D153 PolarHBondContact N-OD1 3.5Å; K123-D153 PolarHBondContact N-OD2 3.07Å; K123-Q154 VanDerWaalsContact CA-NE2 3.26Å; K123-Q154 PolarHBondContact O-NE2 3.35Å; K123-A176 HydrophobicContact CG-CB 4.21Å; K123-Y177 WeakPolarHBondContact CE-O 3.49Å; K123-Y177 PolarHBondContact NZ-O 3.4Å; K123-K178 PolarHBondContact NZ-O 3.22Å; K123-E353 IonicContact NZ-OE1 2.63Å; K123-E353 PolarHBondContact NZ-OE1 2.72Å
124	K	96.3	Very high	98.2	Very high	79 Å²	79	27.8 Å²	27.8	34%	0.343	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-70.6	-12.7	-176.4	-68.3	172.6	173.2	168.1	0	113.6	I122 V126 A127 A349 V350 R352	I122-K124 PolarHBondContact O-N 2.62Å; K124-V126 PolarHBondContact O-N 3.34Å; K124-A127 WeakPolarHBondContact O-CB 3.33Å; K124-A127 PolarHBondContact O-N 3.42Å; K124-A349 PolarHBondContact NZ-O 2.8Å; K124-V350 HydrophobicContact CB-CG2 3.93Å; K124-V350 WeakPolarHBondContact CD-O 3.37Å; K124-R352 WeakPolarHBondContact CE-O 3.27Å; K124-R352 PolarHBondContact NZ-O 3.21Å
125	Y	96.6	Very high	98.2	Very high	35 Å²	35	27.6 Å²	27.6	14%	0.137	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-71.7	-10.9	-178.4	-74.3	-101.4	0	0	0	113.4	I122 K123 A127 F128 V211 D212 V350 R351	I122-Y125 WeakPolarHBondContact O-CB 3.33Å; I122-Y125 WeakPolarHBondContact O-CD2 3.43Å; I122-Y125 PolarHBondContact O-N 2.82Å; I122-Y125 VanDerWaalsContact O-N 3.17Å; K123-Y125 PolarHBondContact O-N 2.96Å; Y125-A127 PolarHBondContact O-N 3.42Å; Y125-A127 VanDerWaalsContact O-N 3.13Å; Y125-F128 AromaticContact CD1-CD2 3.74Å; Y125-F128 HydrophobicContact CD1-CD2 3.74Å; Y125-F128 AromaticContact CD1-CE2 3.59Å; Y125-F128 HydrophobicContact CD1-CE2 3.59Å; Y125-F128 HydrophobicContact CE1-CE2 4.05Å; Y125-F128 HydrophobicContact CG-CD2 4.23Å; Y125-F128 HydrophobicContact CG-CE2 4.16Å; Y125-F128 WeakPolarHBondContact O-CD2 3.48Å; Y125-F128 PolarHBondContact O-N 3.29Å; Y125-F128 VanDerWaalsContact O-N 3.09Å; Y125-V211 HydrophobicContact CD1-CG1 3.83Å; Y125-V211 HydrophobicContact CG-CG1 4.33Å; Y125-D212 HydrophobicContact CD1-CB 4.33Å; Y125-D212 HydrophobicContact CE1-CB 4.28Å; Y125-V350 HydrophobicContact CD2-CG2 4.17Å; Y125-V350 HydrophobicContact CE2-CG1 4.25Å; Y125-V350 HydrophobicContact CE2-CG2 4.01Å; Y125-R351 HydrophobicContact CE2-CG 4.41Å; Y125-R351 VanDerWaalsContact OH-CG 3.3Å; Y125-R351 WeakPolarHBondContact OH-CG 3.21Å; Y125-R351 PolarHBondContact OH-NE 3.3Å
126	V	97.7	Very high	98.2	Very high	25 Å²	25	27.6 Å²	27.6	15%	0.152	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-56.1	-25.3	168.1	-60	0	0	0	0	112.9	A121 K123 K124 F128 L129 Q154 A157	A121-V126 HydrophobicContact CB-CG1 4.22Å; A121-V126 VanDerWaalsContact O-CG1 3.31Å; A121-V126 WeakPolarHBondContact O-CG1 3.4Å; K123-V126 WeakPolarHBondContact O-CG2 3.46Å; K124-V126 PolarHBondContact O-N 3.34Å; V126-F128 PolarHBondContact O-N 3.15Å; V126-L129 HydrophobicContact CB-CD1 4.36Å; V126-L129 WeakPolarHBondContact O-CB 3.48Å; V126-L129 PolarHBondContact O-N 2.94Å; V126-Q154 HydrophobicContact CG1-CB 4.36Å; V126-A157 HydrophobicContact CB-CB 4.13Å; V126-A157 HydrophobicContact CG1-CB 4.2Å; V126-A157 HydrophobicContact CG2-CB 4.07Å
127	A	97.5	Very high	98.2	Very high	82 Å²	82	29.2 Å²	29.2	68%	0.678	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-62.4	-24.6	177.1	0	0	0	0	0	113.6	K124 Y125	K124-A127 WeakPolarHBondContact O-CB 3.33Å; K124-A127 PolarHBondContact O-N 3.42Å; Y125-A127 PolarHBondContact O-N 3.42Å; Y125-A127 VanDerWaalsContact O-N 3.13Å
128	F	98.1	Very high	98.2	Very high	28 Å²	28	36.2 Å²	36.2	12%	0.123	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-85.9	-19.3	-179.2	-59	-71.4	0	0	0	113.4	Y125 V126 K130 L131 F132 V211 D212 V343 K345 V350	Y125-F128 AromaticContact CD1-CD2 3.74Å; Y125-F128 HydrophobicContact CD1-CD2 3.74Å; Y125-F128 AromaticContact CD1-CE2 3.59Å; Y125-F128 HydrophobicContact CD1-CE2 3.59Å; Y125-F128 HydrophobicContact CE1-CE2 4.05Å; Y125-F128 HydrophobicContact CG-CD2 4.23Å; Y125-F128 HydrophobicContact CG-CE2 4.16Å; Y125-F128 WeakPolarHBondContact O-CD2 3.48Å; Y125-F128 PolarHBondContact O-N 3.29Å; Y125-F128 VanDerWaalsContact O-N 3.09Å; V126-F128 PolarHBondContact O-N 3.15Å; F128-K130 VanDerWaalsContact C-N 3.28Å; F128-K130 PolarHBondContact O-N 3.14Å; F128-L131 PolarHBondContact O-N 3.47Å; F128-F132 WeakPolarHBondContact O-CB 3.44Å; F128-F132 PolarHBondContact O-N 3.08Å; F128-V211 HydrophobicContact CB-CG1 4.31Å; F128-V211 HydrophobicContact CB-CG2 4.1Å; F128-V211 VanDerWaalsContact CB-O 3.29Å; F128-V211 WeakPolarHBondContact CB-O 3.48Å; F128-V211 HydrophobicContact CD2-CG1 4.27Å; F128-D212 HydrophobicContact CD1-CB 4.12Å; F128-D212 HydrophobicContact CD2-CB 3.8Å; F128-D212 HydrophobicContact CE1-CB 4.09Å; F128-D212 HydrophobicContact CE2-CB 3.77Å; F128-D212 HydrophobicContact CG-CB 3.98Å; F128-D212 HydrophobicContact CZ-CB 3.93Å; F128-V343 HydrophobicContact CD1-CB 4.4Å; F128-V343 HydrophobicContact CD1-CG1 4.2Å; F128-V343 HydrophobicContact CE1-CB 4.42Å; F128-V343 HydrophobicContact CE1-CG1 4.1Å; F128-K345 HydrophobicContact CE1-CB 4.39Å; F128-K345 HydrophobicContact CZ-CB 4.01Å; F128-K345 HydrophobicContact CZ-CD 4.49Å; F128-V350 HydrophobicContact CE2-CG2 3.9Å; F128-V350 HydrophobicContact CZ-CG2 4.26Å
129	L	98.7	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-38.4	-171.8	-78.9	172.4	0	0	0	113.6	V119 A121 V126 F132 L133 V150 V158 P159 V211	V119-L129 HydrophobicContact CG1-CD2 4.38Å; A121-L129 HydrophobicContact CB-CD1 3.52Å; A121-L129 HydrophobicContact CB-CD2 3.68Å; A121-L129 HydrophobicContact CB-CG 3.52Å; V126-L129 HydrophobicContact CB-CD1 4.36Å; V126-L129 WeakPolarHBondContact O-CB 3.48Å; V126-L129 PolarHBondContact O-N 2.94Å; L129-F132 PolarHBondContact O-N 2.77Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 3.15Å; L129-V150 HydrophobicContact CD1-CG1 3.94Å; L129-V150 HydrophobicContact CD2-CG1 3.77Å; L129-V150 HydrophobicContact CD2-CG2 4.32Å; L129-V158 HydrophobicContact CD1-CG1 4.44Å; L129-V158 HydrophobicContact CD1-CG2 4.17Å; L129-P159 HydrophobicContact CB-CG 3.83Å; L129-V211 HydrophobicContact CD2-CG2 3.78Å; L129-V211 HydrophobicContact CG-CG2 4.2Å
130	K	98.6	Very high	98.2	Very high	111 Å²	111	38.4 Å²	38.4	48%	0.483	19%	0.19	S	C	.	.	H	α-helix	trans	-63.6	-52.4	-175.7	-174.8	177.9	-178.7	-64.7	0	110.6	F128 E134 P159	F128-K130 VanDerWaalsContact C-N 3.28Å; F128-K130 PolarHBondContact O-N 3.14Å; K130-E134 WeakPolarHBondContact CE-OE1 3.31Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 IonicContact NZ-OE1 2.93Å; K130-E134 PolarHBondContact NZ-OE1 2.86Å; K130-E134 IonicContact NZ-OE2 2.65Å; K130-E134 PolarHBondContact NZ-OE2 3.5Å; K130-E134 VanDerWaalsContact O-CB 3.27Å; K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 WeakPolarHBondContact O-CG 3.49Å; K130-E134 PolarHBondContact O-N 3.42Å; K130-P159 HydrophobicContact CB-CB 4.16Å; K130-P159 HydrophobicContact CB-CG 4.02Å; K130-P159 HydrophobicContact CG-CB 4.46Å
131	L	98.7	Very high	98.2	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.335	19%	0.186	S	C	.	.	H	α-helix	trans	-64	-44.1	178.6	-180	62.2	0	0	0	111.2	F128 L133 T135 E214 V343	F128-L131 PolarHBondContact O-N 3.47Å; L131-L133 PolarHBondContact O-N 2.88Å; L131-T135 HydrophobicContact CD1-CG2 3.86Å; L131-T135 HydrophobicContact CG-CG2 4.5Å; L131-T135 WeakPolarHBondContact O-CB 3.48Å; L131-T135 WeakPolarHBondContact O-CG2 3.46Å; L131-T135 PolarHBondContact O-N 3.24Å; L131-T135 PolarHBondContact O-OG1 2.93Å; L131-E214 HydrophobicContact CD2-CB 4.03Å; L131-E214 HydrophobicContact CG-CB 3.97Å; L131-V343 HydrophobicContact CD2-CG1 4.48Å; L131-V343 HydrophobicContact CD2-CG2 3.8Å
132	F	98.9	Very high	98.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-52.8	178	176.3	-88.2	0	0	0	112	L117 V119 F128 L129 T135 A136 V209 V211 F215 F340	L117-F132 HydrophobicContact CD2-CE1 3.95Å; L117-F132 HydrophobicContact CD2-CZ 3.79Å; L117-F132 HydrophobicContact CG-CZ 4.34Å; V119-F132 HydrophobicContact CB-CE1 3.97Å; V119-F132 HydrophobicContact CB-CZ 3.98Å; V119-F132 HydrophobicContact CG1-CD1 4.47Å; V119-F132 HydrophobicContact CG1-CE1 3.9Å; V119-F132 HydrophobicContact CG1-CZ 4.42Å; V119-F132 HydrophobicContact CG2-CD1 4.34Å; V119-F132 HydrophobicContact CG2-CE1 3.96Å; V119-F132 HydrophobicContact CG2-CE2 4.18Å; V119-F132 HydrophobicContact CG2-CZ 3.86Å; F128-F132 WeakPolarHBondContact O-CB 3.44Å; F128-F132 PolarHBondContact O-N 3.08Å; L129-F132 PolarHBondContact O-N 2.77Å; F132-T135 PolarHBondContact O-OG1 2.91Å; F132-T135 VanDerWaalsContact O-OG1 3.12Å; F132-A136 VanDerWaalsContact O-CB 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.4Å; F132-A136 PolarHBondContact O-N 2.73Å; F132-V209 HydrophobicContact CE2-CG2 3.65Å; F132-V209 HydrophobicContact CZ-CG2 3.51Å; F132-V211 HydrophobicContact CB-CG2 4.43Å; F132-V211 HydrophobicContact CG-CG2 4.4Å; F132-F215 HydrophobicContact CD2-CE2 4.21Å; F132-F215 AromaticContact CE2-CE2 3.81Å; F132-F215 HydrophobicContact CE2-CE2 3.81Å; F132-F215 HydrophobicContact CE2-CZ 4.35Å; F132-F215 HydrophobicContact CZ-CE2 4.02Å; F132-F215 HydrophobicContact CZ-CZ 4.45Å; F132-F340 HydrophobicContact CD2-CE2 4.26Å; F132-F340 AromaticContact CE2-CE2 3.93Å; F132-F340 HydrophobicContact CE2-CE2 3.93Å; F132-F340 AromaticContact CE2-CZ 3.98Å; F132-F340 HydrophobicContact CE2-CZ 3.98Å
133	L	98.9	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.9	-41.9	-177.5	-68.7	171.1	0	0	0	112	L129 L131 T135 A136 E137 Y148 P159 V161 L169	L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.32Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 3.15Å; L131-L133 PolarHBondContact O-N 2.88Å; L133-T135 VanDerWaalsContact C-N 3.3Å; L133-T135 PolarHBondContact O-N 3.27Å; L133-A136 PolarHBondContact O-N 2.76Å; L133-E137 PolarHBondContact O-N 3.46Å; L133-Y148 HydrophobicContact CD2-CD1 3.97Å; L133-Y148 HydrophobicContact CD2-CE1 4.32Å; L133-Y148 HydrophobicContact CD2-CG 4.18Å; L133-P159 HydrophobicContact CD1-CG 4.29Å; L133-V161 HydrophobicContact CB-CB 4.31Å; L133-V161 HydrophobicContact CB-CG1 4.23Å; L133-V161 HydrophobicContact CB-CG2 3.91Å; L133-V161 HydrophobicContact CD1-CG2 4.09Å; L133-L169 HydrophobicContact CD1-CD1 3.72Å; L133-L169 HydrophobicContact CD2-CD1 3.91Å; L133-L169 HydrophobicContact CG-CD1 4.49Å
134	E	98.8	Very high	98.3	Very high	68 Å²	68	42.3 Å²	42.3	32%	0.318	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-34.9	178.7	-75.2	175.7	166.7	0	0	112.5	K130 V161	K130-E134 WeakPolarHBondContact CE-OE1 3.31Å; K130-E134 HydrophobicContact CG-CG 4.45Å; K130-E134 IonicContact NZ-OE1 2.93Å; K130-E134 PolarHBondContact NZ-OE1 2.86Å; K130-E134 IonicContact NZ-OE2 2.65Å; K130-E134 PolarHBondContact NZ-OE2 3.5Å; K130-E134 VanDerWaalsContact O-CB 3.27Å; K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 WeakPolarHBondContact O-CG 3.49Å; K130-E134 PolarHBondContact O-N 3.42Å; E134-V161 HydrophobicContact CG-CG1 3.88Å; E134-V161 HydrophobicContact CG-CG2 4.35Å
135	T	98.9	Very high	98.5	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-80.2	-34.6	175.5	55.7	0	0	0	0	112.1	L131 F132 L133 E137 K138 H139 E214 F215	L131-T135 HydrophobicContact CD1-CG2 3.86Å; L131-T135 HydrophobicContact CG-CG2 4.5Å; L131-T135 WeakPolarHBondContact O-CB 3.48Å; L131-T135 WeakPolarHBondContact O-CG2 3.46Å; L131-T135 PolarHBondContact O-N 3.24Å; L131-T135 PolarHBondContact O-OG1 2.93Å; F132-T135 PolarHBondContact O-OG1 2.91Å; F132-T135 VanDerWaalsContact O-OG1 3.12Å; L133-T135 VanDerWaalsContact C-N 3.3Å; L133-T135 PolarHBondContact O-N 3.27Å; T135-E137 VanDerWaalsContact C-N 3.3Å; T135-E137 PolarHBondContact O-N 3.35Å; T135-K138 PolarHBondContact O-N 3.21Å; T135-K138 VanDerWaalsContact O-N 3.08Å; T135-H139 PolarHBondContact O-CD2 3.44Å; T135-H139 PolarHBondContact O-N 3.37Å; T135-E214 HydrophobicContact CG2-CB 4.3Å; T135-F215 VanDerWaalsContact CB-O 3.24Å; T135-F215 WeakPolarHBondContact CB-O 3.23Å; T135-F215 WeakPolarHBondContact CG2-O 3.26Å; T135-F215 PolarHBondContact OG1-N 2.55Å
136	A	98.9	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-41.1	171.9	0	0	0	0	0	111.7	F132 L133 K138 H139 F140 Y148 F215	F132-A136 VanDerWaalsContact O-CB 3.26Å; F132-A136 WeakPolarHBondContact O-CB 3.4Å; F132-A136 PolarHBondContact O-N 2.73Å; L133-A136 PolarHBondContact O-N 2.76Å; A136-K138 PolarHBondContact O-N 3.49Å; A136-H139 PolarHBondContact O-N 2.99Å; A136-F140 HydrophobicContact CB-CB 4.11Å; A136-F140 WeakPolarHBondContact O-CA 3.18Å; A136-F140 VanDerWaalsContact O-CB 3.27Å; A136-F140 WeakPolarHBondContact O-CB 3.38Å; A136-F140 PolarHBondContact O-N 2.91Å; A136-Y148 HydrophobicContact CB-CE1 3.92Å; A136-F215 HydrophobicContact CB-CD2 3.78Å; A136-F215 HydrophobicContact CB-CE2 3.66Å; A136-F215 HydrophobicContact CB-CZ 4.46Å
137	E	98.7	Very high	98.6	Very high	34 Å²	34	41 Å²	41	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-29.3	175.4	-77.8	-58.9	108.8	0	0	113.6	L133 T135 Y148 L163 G164 R167	L133-E137 PolarHBondContact O-N 3.46Å; T135-E137 VanDerWaalsContact C-N 3.3Å; T135-E137 PolarHBondContact O-N 3.35Å; E137-Y148 WeakPolarHBondContact OE1-CE2 3.36Å; E137-Y148 VanDerWaalsContact OE1-CZ 3.24Å; E137-Y148 PolarHBondContact OE1-OH 3.1Å; E137-L163 HydrophobicContact CG-CD2 4.05Å; E137-L163 WeakPolarHBondContact OE2-CA 3.27Å; E137-G164 PolarHBondContact OE2-N 3.46Å; E137-R167 IonicContact OE1-CZ 3.7Å; E137-R167 IonicContact OE1-NE 2.62Å; E137-R167 PolarHBondContact OE1-NE 3.16Å; E137-R167 IonicContact OE1-NH2 2.9Å; E137-R167 WeakPolarHBondContact OE2-CD 3.44Å; E137-R167 IonicContact OE2-NE 3.43Å; E137-R167 PolarHBondContact OE2-NE 3.37Å
138	K	98.8	Very high	98.7	Very high	147 Å²	147	37.1 Å²	37.1	64%	0.639	19%	0.19	S	C	*	.	H	α-helix	trans	-84.7	-25.7	-179.5	-64.8	174.8	-175.1	176.5	0	113.6	T135 A136 V142	T135-K138 PolarHBondContact O-N 3.21Å; T135-K138 VanDerWaalsContact O-N 3.08Å; A136-K138 PolarHBondContact O-N 3.49Å; K138-V142 WeakPolarHBondContact O-CG2 2.99Å
139	H	98.9	Very high	98.7	Very high	47 Å²	47	35.8 Å²	35.8	22%	0.218	18%	0.184	C	C	.	.	H	α-helix	trans	-134.6	-23.8	-160.8	-65.1	-55.4	0	0	0	114.9	T135 A136 F215 D217 V219	T135-H139 PolarHBondContact O-CD2 3.44Å; T135-H139 PolarHBondContact O-N 3.37Å; A136-H139 PolarHBondContact O-N 2.99Å; H139-F215 HydrophobicContact CB-CB 3.71Å; H139-F215 HydrophobicContact CB-CG 4.47Å; H139-F215 PolarHBondContact CD2-O 3.44Å; H139-F215 VanDerWaalsContact CD2-O 3.3Å; H139-D217 WeakPolarHBondContact CB-O 3.42Å; H139-V219 PolarHBondContact O-N 3.49Å
140	F	98.9	Very high	98.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-93.8	112.9	-174.4	-178.3	-102.8	0	0	0	111.3	I115 L117 A136 V142 V146 R167 V207 F215 V219	I115-F140 HydrophobicContact CG2-CE1 4.23Å; I115-F140 HydrophobicContact CG2-CZ 3.84Å; L117-F140 HydrophobicContact CB-CE1 3.83Å; L117-F140 HydrophobicContact CB-CZ 4.08Å; L117-F140 HydrophobicContact CD1-CE1 4.33Å; L117-F140 HydrophobicContact CD1-CE2 4.1Å; L117-F140 HydrophobicContact CD1-CZ 3.87Å; L117-F140 HydrophobicContact CD2-CD1 4Å; L117-F140 HydrophobicContact CD2-CE1 4.01Å; L117-F140 HydrophobicContact CD2-CG 4.31Å; L117-F140 HydrophobicContact CD2-CZ 4.31Å; L117-F140 HydrophobicContact CG-CE1 4.28Å; L117-F140 HydrophobicContact CG-CZ 4.32Å; A136-F140 HydrophobicContact CB-CB 4.11Å; A136-F140 WeakPolarHBondContact O-CA 3.18Å; A136-F140 VanDerWaalsContact O-CB 3.27Å; A136-F140 WeakPolarHBondContact O-CB 3.38Å; A136-F140 PolarHBondContact O-N 2.91Å; F140-V142 PolarHBondContact O-N 3.19Å; F140-V142 VanDerWaalsContact O-N 3.11Å; F140-V146 HydrophobicContact CD1-CG1 4.14Å; F140-V146 HydrophobicContact CD1-CG2 4.25Å; F140-V146 HydrophobicContact CE1-CG1 3.97Å; F140-V146 HydrophobicContact CE1-CG2 4.16Å; F140-R167 PolarHBondContact O-NH1 3.28Å; F140-R167 PolarHBondContact O-NH2 2.93Å; F140-V207 HydrophobicContact CE2-CB 4.36Å; F140-V207 HydrophobicContact CE2-CG1 4.16Å; F140-V207 HydrophobicContact CE2-CG2 4.26Å; F140-V207 HydrophobicContact CZ-CB 4.13Å; F140-V207 HydrophobicContact CZ-CG1 4.4Å; F140-V207 HydrophobicContact CZ-CG2 4.06Å; F140-F215 HydrophobicContact CB-CD1 4.45Å; F140-F215 HydrophobicContact CB-CE1 4.18Å; F140-F215 HydrophobicContact CB-CZ 4.36Å; F140-F215 AromaticContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CZ 4.22Å; F140-F215 HydrophobicContact CG-CE1 4.43Å; F140-F215 HydrophobicContact CG-CZ 4.48Å; F140-V219 WeakPolarHBondContact CA-O 3.26Å; F140-V219 HydrophobicContact CD2-CB 4.38Å; F140-V219 HydrophobicContact CD2-CG1 4Å; F140-V219 HydrophobicContact CE2-CG1 4.35Å
141	M	98.8	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	51.8	38.5	171.9	-56.2	-68.9	174.5	0	0	112.9	I115 G143 H144 V146 R167 V219 G220 V221 I223 L224	I115-M141 HydrophobicContact CB-CG 4.31Å; I115-M141 HydrophobicContact CD1-CB 4.42Å; I115-M141 HydrophobicContact CD1-CG 4.34Å; I115-M141 HydrophobicContact CD1-SD 4.26Å; I115-M141 HydrophobicContact CG1-CG 4.21Å; I115-M141 HydrophobicContact CG1-SD 4.11Å; I115-M141 HydrophobicContact CG2-CE 4.31Å; I115-M141 HydrophobicContact CG2-CG 4.29Å; M141-G143 PolarHBondContact O-N 3.49Å; M141-H144 HydrophobicContact CB-CB 4.4Å; M141-H144 PolarHBondContact O-N 3.47Å; M141-V146 HydrophobicContact CB-CG2 3.65Å; M141-V146 HydrophobicContact CG-CG2 4.43Å; M141-R167 PolarHBondContact O-NH1 3.45Å; M141-V219 PolarHBondContact N-O 2.75Å; M141-G220 WeakPolarHBondContact CE-O 3.39Å; M141-V221 HydrophobicContact SD-CG1 4Å; M141-I223 HydrophobicContact CE-CD1 3.52Å; M141-I223 HydrophobicContact CE-CG1 3.64Å; M141-L224 HydrophobicContact CE-CD1 4.47Å; M141-L224 HydrophobicContact CE-CD2 3.71Å; M141-L224 HydrophobicContact CE-CG 4.01Å; M141-L224 HydrophobicContact SD-CD1 4.45Å
142	V	98.6	Very high	98.8	Very high	79 Å²	79	27.4 Å²	27.4	48%	0.479	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	133.1	-178	-178.4	0	0	0	0	109.2	K138 F140 H144	K138-V142 WeakPolarHBondContact O-CG2 2.99Å; F140-V142 PolarHBondContact O-N 3.19Å; F140-V142 VanDerWaalsContact O-N 3.11Å; V142-H144 VanDerWaalsContact C-N 3.34Å
143	G	97.6	Very high	98.7	Very high	65 Å²	65	29.4 Å²	29.4	67%	0.67	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	-2.1	-174.4	0	0	0	0	0	115	M141	M141-G143 PolarHBondContact O-N 3.49Å
144	H	98.8	Very high	98.7	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.065	17%	0.171	C	C	.	.	S	Bend	trans	-115.3	165	174.6	-61.7	-92.6	0	0	0	111.4	N105 I115 M141 V142 V221	N105-H144 PolarHBondContact OD1-NE2 2.73Å; I115-H144 HydrophobicContact CD1-CB 3.86Å; M141-H144 HydrophobicContact CB-CB 4.4Å; M141-H144 PolarHBondContact O-N 3.47Å; V142-H144 VanDerWaalsContact C-N 3.34Å; H144-V221 VanDerWaalsContact CE1-CG1 3.44Å; H144-V221 WeakPolarHBondContact CE1-CG1 3.32Å; H144-V221 WeakPolarHBondContact NE2-CG1 3.11Å
145	R	98.9	Very high	98.7	Very high	106 Å²	106	31.9 Å²	31.9	40%	0.4	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129	178.2	-60.4	171.9	58	77.3	3.3	109.5	N112 T114 I115 G166	N112-R145 VanDerWaalsContact OD1-CD 3.25Å; N112-R145 WeakPolarHBondContact OD1-CD 3.04Å; T114-R145 WeakPolarHBondContact CA-O 3.46Å; T114-R145 HydrophobicContact CG2-CB 3.9Å; T114-R145 WeakPolarHBondContact OG1-CD 3.3Å; T114-R145 PolarHBondContact OG1-NE 2.83Å; I115-R145 PolarHBondContact N-O 2.7Å; R145-G166 WeakPolarHBondContact CA-O 3.25Å
146	V	98.9	Very high	98.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.6	-178.1	174.1	0	0	0	0	111.6	I115 F140 M141 Y148 G166 R167 Q168	I115-V146 WeakPolarHBondContact O-CA 3.14Å; F140-V146 HydrophobicContact CD1-CG1 4.14Å; F140-V146 HydrophobicContact CD1-CG2 4.25Å; F140-V146 HydrophobicContact CE1-CG1 3.97Å; F140-V146 HydrophobicContact CE1-CG2 4.16Å; M141-V146 HydrophobicContact CB-CG2 3.65Å; M141-V146 HydrophobicContact CG-CG2 4.43Å; V146-Y148 HydrophobicContact CG1-CD1 4.28Å; V146-Y148 HydrophobicContact CG1-CD2 4.2Å; V146-Y148 HydrophobicContact CG1-CE1 4Å; V146-Y148 HydrophobicContact CG1-CE2 3.92Å; V146-Y148 HydrophobicContact CG1-CG 4.39Å; V146-G166 PolarHBondContact N-O 2.98Å; V146-R167 HydrophobicContact CB-CG 4.28Å; V146-R167 CarbonylContact O-C 3.57Å; V146-R167 VanDerWaalsContact O-CA 3.26Å; V146-R167 WeakPolarHBondContact O-CA 3.41Å; V146-Q168 PolarHBondContact O-N 3.27Å
147	H	98.9	Very high	98.6	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	112	170.9	-159.7	154.8	0	0	0	109.8	I115 G116 L117 Y149 Q168 S170 E202 V203	I115-H147 PolarHBondContact O-N 3.42Å; G116-H147 CarbonylContact C-O 3.31Å; G116-H147 VanDerWaalsContact CA-O 3.28Å; G116-H147 WeakPolarHBondContact CA-O 3.41Å; L117-H147 PolarHBondContact N-O 2.9Å; H147-Y149 HydrophobicContact CB-CE2 3.98Å; H147-Y149 AromaticContact CD2-CE1 3.58Å; H147-Y149 AromaticContact CD2-CZ 3.7Å; H147-Y149 AromaticContact CE1-CE1 3.57Å; H147-Y149 AromaticContact CE1-CZ 3.77Å; H147-Y149 AromaticContact CG-CE1 3.86Å; H147-Y149 AromaticContact CG-CE2 3.98Å; H147-Y149 AromaticContact CG-CZ 3.5Å; H147-Y149 VanDerWaalsContact CG-CZ 3.5Å; H147-Y149 AromaticContact ND1-CE1 3.9Å; H147-Y149 AromaticContact ND1-CZ 3.6Å; H147-Y149 PolarHBondContact ND1-OH 3.45Å; H147-Y149 AromaticContact NE2-CD1 3.98Å; H147-Y149 AromaticContact NE2-CE1 3.39Å; H147-Y149 WeakPolarHBondContact NE2-CE1 3.36Å; H147-Y149 AromaticContact NE2-CZ 3.86Å; H147-Y149 WeakPolarHBondContact O-CD2 3.36Å; H147-Q168 CarbonylContact C-O 3.51Å; H147-Q168 WeakPolarHBondContact CA-O 3.03Å; H147-Q168 HydrophobicContact CB-CG 4.21Å; H147-Q168 PolarHBondContact CE1-NE2 3.28Å; H147-Q168 PolarHBondContact ND1-NE2 3.45Å; H147-S170 WeakPolarHBondContact NE2-CB 3.24Å; H147-S170 PolarHBondContact NE2-OG 3.44Å; H147-E202 IonicContact CE1-OE2 3.47Å; H147-E202 PolarHBondContact CE1-OE2 2.83Å; H147-E202 VanDerWaalsContact CE1-OE2 3.24Å; H147-E202 IonicContact ND1-OE2 3.44Å; H147-V203 HydrophobicContact CB-CG1 3.95Å
148	Y	98.9	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130	173.3	-59	-78.7	0	0	0	110.9	L117 L133 A136 E137 V146 L163 R167 Q168 L169 S170	L117-Y148 HydrophobicContact CB-CD1 4.02Å; L117-Y148 HydrophobicContact CB-CE1 4.46Å; L117-Y148 HydrophobicContact CD2-CD1 3.79Å; L117-Y148 HydrophobicContact CD2-CE1 3.68Å; L117-Y148 HydrophobicContact CG-CD1 4.36Å; L133-Y148 HydrophobicContact CD2-CD1 3.97Å; L133-Y148 HydrophobicContact CD2-CE1 4.32Å; L133-Y148 HydrophobicContact CD2-CG 4.18Å; A136-Y148 HydrophobicContact CB-CE1 3.92Å; E137-Y148 WeakPolarHBondContact OE1-CE2 3.36Å; E137-Y148 VanDerWaalsContact OE1-CZ 3.24Å; E137-Y148 PolarHBondContact OE1-OH 3.1Å; V146-Y148 HydrophobicContact CG1-CD1 4.28Å; V146-Y148 HydrophobicContact CG1-CD2 4.2Å; V146-Y148 HydrophobicContact CG1-CE1 4Å; V146-Y148 HydrophobicContact CG1-CE2 3.92Å; V146-Y148 HydrophobicContact CG1-CG 4.39Å; Y148-L163 HydrophobicContact CD2-CD1 4.46Å; Y148-L163 HydrophobicContact CD2-CD2 4.33Å; Y148-L163 HydrophobicContact CE2-CD2 3.98Å; Y148-R167 PolarHBondContact OH-NH2 2.91Å; Y148-Q168 WeakPolarHBondContact CD2-O 3.37Å; Y148-Q168 PolarHBondContact N-O 3.5Å; Y148-L169 HydrophobicContact CD2-CB 4.4Å; Y148-L169 CarbonylContact O-C 3.55Å; Y148-L169 WeakPolarHBondContact O-CA 3.32Å; Y148-S170 PolarHBondContact O-N 3.35Å
149	Y	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	100.7	174.1	-59.9	-75	0	0	0	109.3	L117 T118 V119 H147 L172 F199 E202 V203 L206	L117-Y149 PolarHBondContact O-N 2.71Å; T118-Y149 WeakPolarHBondContact CA-O 3.33Å; T118-Y149 HydrophobicContact CG2-CD2 4.25Å; V119-Y149 PolarHBondContact N-O 3.02Å; H147-Y149 HydrophobicContact CB-CE2 3.98Å; H147-Y149 AromaticContact CD2-CE1 3.58Å; H147-Y149 AromaticContact CD2-CZ 3.7Å; H147-Y149 AromaticContact CE1-CE1 3.57Å; H147-Y149 AromaticContact CE1-CZ 3.77Å; H147-Y149 AromaticContact CG-CE1 3.86Å; H147-Y149 AromaticContact CG-CE2 3.98Å; H147-Y149 AromaticContact CG-CZ 3.5Å; H147-Y149 VanDerWaalsContact CG-CZ 3.5Å; H147-Y149 AromaticContact ND1-CE1 3.9Å; H147-Y149 AromaticContact ND1-CZ 3.6Å; H147-Y149 PolarHBondContact ND1-OH 3.45Å; H147-Y149 AromaticContact NE2-CD1 3.98Å; H147-Y149 AromaticContact NE2-CE1 3.39Å; H147-Y149 WeakPolarHBondContact NE2-CE1 3.36Å; H147-Y149 AromaticContact NE2-CZ 3.86Å; H147-Y149 WeakPolarHBondContact O-CD2 3.36Å; Y149-L172 HydrophobicContact CD1-CD1 4.05Å; Y149-L172 HydrophobicContact CG-CD1 4.41Å; Y149-F199 HydrophobicContact CD1-CD1 4.3Å; Y149-F199 AromaticContact CD1-CE1 3.58Å; Y149-F199 HydrophobicContact CD1-CE1 3.58Å; Y149-F199 HydrophobicContact CD2-CD1 4.03Å; Y149-F199 AromaticContact CD2-CE1 3.55Å; Y149-F199 HydrophobicContact CD2-CE1 3.55Å; Y149-F199 HydrophobicContact CD2-CZ 4.27Å; Y149-F199 AromaticContact CE1-CD1 3.91Å; Y149-F199 HydrophobicContact CE1-CD1 3.91Å; Y149-F199 AromaticContact CE1-CE1 3.67Å; Y149-F199 HydrophobicContact CE1-CE1 3.67Å; Y149-F199 AromaticContact CE2-CD1 3.64Å; Y149-F199 HydrophobicContact CE2-CD1 3.64Å; Y149-F199 AromaticContact CE2-CE1 3.65Å; Y149-F199 HydrophobicContact CE2-CE1 3.65Å; Y149-F199 HydrophobicContact CG-CD1 4.32Å; Y149-F199 AromaticContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CE1 3.5Å; Y149-F199 VanDerWaalsContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CZ 4.18Å; Y149-F199 AromaticContact CZ-CD1 3.55Å; Y149-F199 AromaticContact CZ-CE1 3.68Å; Y149-E202 WeakPolarHBondContact CE1-OE2 3.27Å; Y149-E202 VanDerWaalsContact CZ-OE2 3.26Å; Y149-E202 VanDerWaalsContact OH-CB 3.26Å; Y149-E202 WeakPolarHBondContact OH-CB 3.38Å; Y149-E202 PolarHBondContact OH-OE2 2.89Å; Y149-V203 HydrophobicContact CE2-CG1 4.11Å; Y149-L206 HydrophobicContact CE2-CD2 4.48Å
150	V	98.9	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	105.4	-179.8	179.7	0	0	0	0	108.9	V119 L129 V158 L169 S170 L172	V119-V150 HydrophobicContact CG1-CG2 3.97Å; L129-V150 HydrophobicContact CD1-CG1 3.94Å; L129-V150 HydrophobicContact CD2-CG1 3.77Å; L129-V150 HydrophobicContact CD2-CG2 4.32Å; V150-V158 HydrophobicContact CG1-CG1 4.42Å; V150-V158 HydrophobicContact CG1-CG2 4.01Å; V150-L169 HydrophobicContact CG2-CD1 3.91Å; V150-L169 HydrophobicContact CG2-CD2 4.23Å; V150-L169 HydrophobicContact CG2-CG 4.1Å; V150-S170 PolarHBondContact N-O 3.08Å; V150-L172 PolarHBondContact O-N 3.5Å
151	F	98.8	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.8	172.7	-69.8	-97.7	0	0	0	109.7	T118 V119 F120 A121 L172 V174 M190 F194 F199	T118-F151 HydrophobicContact CG2-CE2 4.12Å; V119-F151 PolarHBondContact O-N 2.97Å; F120-F151 HydrophobicContact CD1-CB 3.35Å; F120-F151 HydrophobicContact CD1-CD1 4.5Å; F120-F151 AromaticContact CD1-CG 3.94Å; F120-F151 HydrophobicContact CD1-CG 3.94Å; F120-F151 HydrophobicContact CD2-CB 4.33Å; F120-F151 HydrophobicContact CD2-CD2 4.3Å; F120-F151 HydrophobicContact CD2-CG 4.48Å; F120-F151 HydrophobicContact CE1-CB 3.38Å; F120-F151 AromaticContact CE1-CD1 3.67Å; F120-F151 HydrophobicContact CE1-CD1 3.67Å; F120-F151 HydrophobicContact CE1-CD2 4.08Å; F120-F151 HydrophobicContact CE1-CE1 4.4Å; F120-F151 AromaticContact CE1-CG 3.46Å; F120-F151 HydrophobicContact CE1-CG 3.46Å; F120-F151 VanDerWaalsContact CE1-CG 3.46Å; F120-F151 HydrophobicContact CE2-CB 4.36Å; F120-F151 AromaticContact CE2-CD2 3.81Å; F120-F151 HydrophobicContact CE2-CD2 3.81Å; F120-F151 HydrophobicContact CE2-CE2 4.22Å; F120-F151 HydrophobicContact CE2-CG 4.06Å; F120-F151 HydrophobicContact CG-CB 3.84Å; F120-F151 HydrophobicContact CG-CG 4.42Å; F120-F151 HydrophobicContact CZ-CB 3.92Å; F120-F151 AromaticContact CZ-CD1 3.77Å; F120-F151 HydrophobicContact CZ-CD1 3.77Å; F120-F151 AromaticContact CZ-CD2 3.69Å; F120-F151 HydrophobicContact CZ-CD2 3.69Å; F120-F151 HydrophobicContact CZ-CE1 4.12Å; F120-F151 HydrophobicContact CZ-CE2 4.05Å; F120-F151 AromaticContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CG 3.52Å; F120-F151 HydrophobicContact CZ-CZ 4.24Å; A121-F151 PolarHBondContact N-O 3.29Å; F151-L172 WeakPolarHBondContact CA-O 3.29Å; F151-L172 HydrophobicContact CD1-CB 3.97Å; F151-L172 HydrophobicContact CD1-CD1 4.19Å; F151-L172 HydrophobicContact CD2-CD1 4.23Å; F151-L172 HydrophobicContact CE1-CB 4.18Å; F151-L172 HydrophobicContact CE1-CD1 3.69Å; F151-L172 HydrophobicContact CE2-CD1 3.72Å; F151-L172 HydrophobicContact CG-CB 4.32Å; F151-L172 HydrophobicContact CG-CD1 4.45Å; F151-L172 HydrophobicContact CZ-CD1 3.44Å; F151-L172 VanDerWaalsContact CZ-CD1 3.44Å; F151-V174 HydrophobicContact CB-CG2 4.2Å; F151-V174 HydrophobicContact CD1-CG1 3.8Å; F151-V174 HydrophobicContact CE1-CG1 4.46Å; F151-M190 HydrophobicContact CD1-CB 4.43Å; F151-M190 HydrophobicContact CE1-CB 4.16Å; F151-F194 AromaticContact CE1-CD2 3.5Å; F151-F194 HydrophobicContact CE1-CD2 3.5Å; F151-F194 VanDerWaalsContact CE1-CD2 3.5Å; F151-F194 AromaticContact CE1-CE2 3.69Å; F151-F194 HydrophobicContact CE1-CE2 3.69Å; F151-F194 AromaticContact CE1-CG 3.99Å; F151-F194 HydrophobicContact CE1-CG 3.99Å; F151-F194 HydrophobicContact CE1-CZ 4.37Å; F151-F194 HydrophobicContact CZ-CB 4.13Å; F151-F194 AromaticContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CE2 4.49Å; F151-F194 AromaticContact CZ-CG 3.99Å; F151-F194 HydrophobicContact CZ-CG 3.99Å; F151-F199 HydrophobicContact CE2-CZ 4.12Å; F151-F199 AromaticContact CZ-CZ 3.86Å; F151-F199 HydrophobicContact CZ-CZ 3.86Å
152	T	98.6	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.4	-177.3	-170.1	0	0	0	0	112.8	A121 Q154 P155 V158 V171 L172 E173 V174	A121-T152 WeakPolarHBondContact O-CB 3.22Å; A121-T152 PolarHBondContact O-OG1 3.43Å; T152-Q154 VanDerWaalsContact C-N 3.33Å; T152-Q154 PolarHBondContact OG1-N 2.68Å; T152-Q154 VanDerWaalsContact OG1-N 3.09Å; T152-P155 HydrophobicContact CG2-CG 4.42Å; T152-V158 HydrophobicContact CG2-CG2 3.84Å; T152-V171 HydrophobicContact CG2-CG1 3.68Å; T152-L172 PolarHBondContact N-O 2.91Å; T152-E173 WeakPolarHBondContact O-CA 3.3Å; T152-V174 PolarHBondContact O-N 2.94Å
153	D	98.2	Very high	98.4	Very high	41 Å²	41	49.1 Å²	49.1	22%	0.219	28%	0.28	C	S	.	.	S	Bend	trans	-88.5	-3.1	167.4	65.2	-39.1	0	0	0	112.5	I122 K123 V174 A176	I122-D153 WeakPolarHBondContact CA-OD1 3.32Å; I122-D153 HydrophobicContact CD1-CB 4.41Å; K123-D153 PolarHBondContact N-OD1 3.5Å; K123-D153 PolarHBondContact N-OD2 3.07Å; D153-V174 VanDerWaalsContact CA-O 3.31Å; D153-V174 WeakPolarHBondContact CA-O 3.28Å; D153-A176 HydrophobicContact CB-CB 3.8Å; D153-A176 WeakPolarHBondContact OD2-CB 3.49Å
154	Q	98.2	Very high	98.4	Very high	72 Å²	72	47.6 Å²	47.6	34%	0.336	26%	0.264	S	S	.	.			trans	-135.4	74.2	-175.7	-67.4	159.1	83	0	0	110.7	K123 V126 T152 A156 A157	K123-Q154 VanDerWaalsContact CA-NE2 3.26Å; K123-Q154 PolarHBondContact O-NE2 3.35Å; V126-Q154 HydrophobicContact CG1-CB 4.36Å; T152-Q154 VanDerWaalsContact C-N 3.33Å; T152-Q154 PolarHBondContact OG1-N 2.68Å; T152-Q154 VanDerWaalsContact OG1-N 3.09Å; Q154-A156 PolarHBondContact O-N 3.07Å; Q154-A156 VanDerWaalsContact O-N 3.13Å; Q154-A157 HydrophobicContact CB-CB 3.82Å; Q154-A157 WeakPolarHBondContact O-CB 3.5Å; Q154-A157 PolarHBondContact O-N 3.07Å
155	P	98.4	Very high	98.3	Very high	49 Å²	49	54.1 Å²	54.1	32%	0.318	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-54.8	-36.5	-176.8	-28.1	36	0	0	0	114.1	T152 A157 V158 V171 E173	T152-P155 HydrophobicContact CG2-CG 4.42Å; P155-A157 PolarHBondContact O-N 3.29Å; P155-V158 WeakPolarHBondContact O-CG2 3.38Å; P155-V158 PolarHBondContact O-N 3.49Å; P155-V171 HydrophobicContact CB-CG1 3.94Å; P155-V171 HydrophobicContact CG-CG1 4.47Å; P155-E173 HydrophobicContact CG-CB 3.92Å; P155-E173 HydrophobicContact CG-CG 3.77Å
156	A	98.1	Very high	98.2	Very high	109 Å²	109	51 Å²	51	90%	0.901	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.5	-17.2	178.5	0	0	0	0	0	114.2	Q154	Q154-A156 PolarHBondContact O-N 3.07Å; Q154-A156 VanDerWaalsContact O-N 3.13Å
157	A	98	Very high	98.2	Very high	42 Å²	42	52.2 Å²	52.2	35%	0.347	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-87.5	-6.5	178.5	0	0	0	0	0	113.1	V126 Q154 P155	V126-A157 HydrophobicContact CB-CB 4.13Å; V126-A157 HydrophobicContact CG1-CB 4.2Å; V126-A157 HydrophobicContact CG2-CB 4.07Å; Q154-A157 HydrophobicContact CB-CB 3.82Å; Q154-A157 WeakPolarHBondContact O-CB 3.5Å; Q154-A157 PolarHBondContact O-N 3.07Å; P155-A157 PolarHBondContact O-N 3.29Å
158	V	98.6	Very high	98.2	Very high	24 Å²	24	57.1 Å²	57.1	15%	0.145	33%	0.334	C	S	.	.	S	Bend	trans	-68.4	123.5	176.9	-178.9	0	0	0	0	109.2	L129 V150 T152 P155 L169 V171	L129-V158 HydrophobicContact CD1-CG1 4.44Å; L129-V158 HydrophobicContact CD1-CG2 4.17Å; V150-V158 HydrophobicContact CG1-CG1 4.42Å; V150-V158 HydrophobicContact CG1-CG2 4.01Å; T152-V158 HydrophobicContact CG2-CG2 3.84Å; P155-V158 WeakPolarHBondContact O-CG2 3.38Å; P155-V158 PolarHBondContact O-N 3.49Å; V158-L169 HydrophobicContact CG1-CD2 4.39Å; V158-V171 HydrophobicContact CB-CG2 4.16Å; V158-V171 HydrophobicContact CG1-CG2 4Å; V158-V171 HydrophobicContact CG2-CG1 3.92Å; V158-V171 HydrophobicContact CG2-CG2 3.98Å
159	P	97.8	Very high	98.2	Very high	34 Å²	34	59.5 Å²	59.5	22%	0.221	35%	0.346	C	S	.	.			trans	-69.3	145.6	-176.4	28.7	-34.5	0	0	0	111.3	L129 K130 L133 V161	L129-P159 HydrophobicContact CB-CG 3.83Å; K130-P159 HydrophobicContact CB-CB 4.16Å; K130-P159 HydrophobicContact CB-CG 4.02Å; K130-P159 HydrophobicContact CG-CB 4.46Å; L133-P159 HydrophobicContact CD1-CG 4.29Å; P159-V161 HydrophobicContact CB-CG2 4.25Å; P159-V161 HydrophobicContact CG-CG2 4.15Å; P159-V161 PolarHBondContact O-N 3.35Å
160	R	96.9	Very high	98.2	Very high	258 Å²	258	60.6 Å²	60.6	97%	0.974	35%	0.354	S	S	*	.			trans	-77.5	105.4	168.2	-66.1	-178.7	-178.2	154.2	0.6	108.8
161	V	97.6	Very high	98.2	Very high	27 Å²	27	63.3 Å²	63.3	16%	0.164	37%	0.37	C	S	.	.			trans	-108.7	137.3	177.2	-179.4	0	0	0	0	108.9	L133 E134 P159 L163	L133-V161 HydrophobicContact CB-CB 4.31Å; L133-V161 HydrophobicContact CB-CG1 4.23Å; L133-V161 HydrophobicContact CB-CG2 3.91Å; L133-V161 HydrophobicContact CD1-CG2 4.09Å; E134-V161 HydrophobicContact CG-CG1 3.88Å; E134-V161 HydrophobicContact CG-CG2 4.35Å; P159-V161 HydrophobicContact CB-CG2 4.25Å; P159-V161 HydrophobicContact CG-CG2 4.15Å; P159-V161 PolarHBondContact O-N 3.35Å; V161-L163 HydrophobicContact CG1-CD2 4.45Å; V161-L163 PolarHBondContact O-N 2.78Å
162	T	98.1	Very high	98.2	Very high	133 Å²	133	63.7 Å²	63.7	82%	0.816	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-69.5	121.8	173.7	-57.3	0	0	0	0	109.3
163	L	98.5	Very high	98.1	Very high	52 Å²	52	70.5 Å²	70.5	27%	0.272	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-102.7	141.4	178.2	-53	-178.6	0	0	0	110.6	E137 Y148 V161 R167 L169	E137-L163 HydrophobicContact CG-CD2 4.05Å; E137-L163 WeakPolarHBondContact OE2-CA 3.27Å; Y148-L163 HydrophobicContact CD2-CD1 4.46Å; Y148-L163 HydrophobicContact CD2-CD2 4.33Å; Y148-L163 HydrophobicContact CE2-CD2 3.98Å; V161-L163 HydrophobicContact CG1-CD2 4.45Å; V161-L163 PolarHBondContact O-N 2.78Å; L163-R167 HydrophobicContact CB-CB 4.31Å; L163-L169 HydrophobicContact CD1-CB 3.84Å
164	G	97.6	Very high	98.1	Very high	33 Å²	33	69.5 Å²	69.5	34%	0.34	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-66.2	164.4	171.9	0	0	0	0	0	112.9	E137 R167	E137-G164 PolarHBondContact OE2-N 3.46Å; G164-R167 WeakPolarHBondContact O-CB 3.33Å; G164-R167 PolarHBondContact O-N 3.25Å
165	T	97.4	Very high	98	Very high	151 Å²	151	74 Å²	74	93%	0.926	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139.2	178	-55.9	0	0	0	0	111.9	R167	T165-R167 PolarHBondContact O-N 3.14Å
166	G	97.4	Very high	97.8	Very high	41 Å²	41	73.4 Å²	73.4	42%	0.423	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	12	-179.6	0	0	0	0	0	114.1	R145 V146	R145-G166 WeakPolarHBondContact CA-O 3.25Å; V146-G166 PolarHBondContact N-O 2.98Å
167	R	98.8	Very high	97.6	Very high	28 Å²	28	69.8 Å²	69.8	11%	0.106	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.9	179.3	-48.4	175.8	72.7	89.9	-11.3	110	E137 F140 M141 V146 Y148 L163 G164 T165	E137-R167 IonicContact OE1-CZ 3.7Å; E137-R167 IonicContact OE1-NE 2.62Å; E137-R167 PolarHBondContact OE1-NE 3.16Å; E137-R167 IonicContact OE1-NH2 2.9Å; E137-R167 WeakPolarHBondContact OE2-CD 3.44Å; E137-R167 IonicContact OE2-NE 3.43Å; E137-R167 PolarHBondContact OE2-NE 3.37Å; F140-R167 PolarHBondContact O-NH1 3.28Å; F140-R167 PolarHBondContact O-NH2 2.93Å; M141-R167 PolarHBondContact O-NH1 3.45Å; V146-R167 HydrophobicContact CB-CG 4.28Å; V146-R167 CarbonylContact O-C 3.57Å; V146-R167 VanDerWaalsContact O-CA 3.26Å; V146-R167 WeakPolarHBondContact O-CA 3.41Å; Y148-R167 PolarHBondContact OH-NH2 2.91Å; L163-R167 HydrophobicContact CB-CB 4.31Å; G164-R167 WeakPolarHBondContact O-CB 3.33Å; G164-R167 PolarHBondContact O-N 3.25Å; T165-R167 PolarHBondContact O-N 3.14Å
168	Q	98.6	Very high	97.2	Very high	106 Å²	106	75.1 Å²	75.1	50%	0.495	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.8	-178.7	65.3	-174.2	4.6	0	0	111.6	V146 H147 Y148	V146-Q168 PolarHBondContact O-N 3.27Å; H147-Q168 CarbonylContact C-O 3.51Å; H147-Q168 WeakPolarHBondContact CA-O 3.03Å; H147-Q168 HydrophobicContact CB-CG 4.21Å; H147-Q168 PolarHBondContact CE1-NE2 3.28Å; H147-Q168 PolarHBondContact ND1-NE2 3.45Å; Y148-Q168 WeakPolarHBondContact CD2-O 3.37Å; Y148-Q168 PolarHBondContact N-O 3.5Å
169	L	98.8	Very high	97	Very high	50 Å²	50	78.5 Å²	78.5	26%	0.262	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.6	179.9	-175.6	153.2	0	0	0	110	L133 Y148 V150 V158 L163 V171	L133-L169 HydrophobicContact CD1-CD1 3.72Å; L133-L169 HydrophobicContact CD2-CD1 3.91Å; L133-L169 HydrophobicContact CG-CD1 4.49Å; Y148-L169 HydrophobicContact CD2-CB 4.4Å; Y148-L169 CarbonylContact O-C 3.55Å; Y148-L169 WeakPolarHBondContact O-CA 3.32Å; V150-L169 HydrophobicContact CG2-CD1 3.91Å; V150-L169 HydrophobicContact CG2-CD2 4.23Å; V150-L169 HydrophobicContact CG2-CG 4.1Å; V158-L169 HydrophobicContact CG1-CD2 4.39Å; L163-L169 HydrophobicContact CD1-CB 3.84Å; L169-V171 HydrophobicContact CD2-CG2 3.7Å
170	S	98.7	Very high	96.6	Very high	23 Å²	23	80.8 Å²	80.8	16%	0.161	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.4	170.4	-70.5	0	0	0	0	110.1	H147 Y148 V150	H147-S170 WeakPolarHBondContact NE2-CB 3.24Å; H147-S170 PolarHBondContact NE2-OG 3.44Å; Y148-S170 PolarHBondContact O-N 3.35Å; V150-S170 PolarHBondContact N-O 3.08Å
171	V	98.7	Very high	96.4	Very high	57 Å²	57	70.3 Å²	70.3	35%	0.345	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.6	172.6	-176.3	0	0	0	0	108.2	T152 P155 V158 L169	T152-V171 HydrophobicContact CG2-CG1 3.68Å; P155-V171 HydrophobicContact CB-CG1 3.94Å; P155-V171 HydrophobicContact CG-CG1 4.47Å; V158-V171 HydrophobicContact CB-CG2 4.16Å; V158-V171 HydrophobicContact CG1-CG2 4Å; V158-V171 HydrophobicContact CG2-CG1 3.92Å; V158-V171 HydrophobicContact CG2-CG2 3.98Å; L169-V171 HydrophobicContact CD2-CG2 3.7Å
172	L	98.4	Very high	96.2	Very high	8 Å²	8	70.7 Å²	70.7	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	104	-178.3	-54.3	-178.9	0	0	0	108.1	Y149 V150 F151 T152 V174 F194	Y149-L172 HydrophobicContact CD1-CD1 4.05Å; Y149-L172 HydrophobicContact CG-CD1 4.41Å; V150-L172 PolarHBondContact O-N 3.5Å; F151-L172 WeakPolarHBondContact CA-O 3.29Å; F151-L172 HydrophobicContact CD1-CB 3.97Å; F151-L172 HydrophobicContact CD1-CD1 4.19Å; F151-L172 HydrophobicContact CD2-CD1 4.23Å; F151-L172 HydrophobicContact CE1-CB 4.18Å; F151-L172 HydrophobicContact CE1-CD1 3.69Å; F151-L172 HydrophobicContact CE2-CD1 3.72Å; F151-L172 HydrophobicContact CG-CB 4.32Å; F151-L172 HydrophobicContact CG-CD1 4.45Å; F151-L172 HydrophobicContact CZ-CD1 3.44Å; F151-L172 VanDerWaalsContact CZ-CD1 3.44Å; T152-L172 PolarHBondContact N-O 2.91Å; L172-V174 PolarHBondContact O-N 3.11Å; L172-F194 HydrophobicContact CB-CE1 4.27Å; L172-F194 HydrophobicContact CB-CZ 4.11Å; L172-F194 HydrophobicContact CD1-CD1 3.66Å; L172-F194 HydrophobicContact CD1-CE1 3.67Å; L172-F194 HydrophobicContact CD1-CG 4.17Å; L172-F194 HydrophobicContact CD1-CZ 4.16Å; L172-F194 HydrophobicContact CD2-CD1 4.32Å; L172-F194 HydrophobicContact CD2-CE1 3.7Å; L172-F194 HydrophobicContact CD2-CZ 4.34Å; L172-F194 HydrophobicContact CG-CE1 4.08Å; L172-F194 HydrophobicContact CG-CZ 4.43Å
173	E	98.2	Very high	95.9	Very high	143 Å²	143	65.7 Å²	65.7	67%	0.668	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.4	-179.7	-170.6	173.9	-177.3	0	0	110.7	T152 P155	T152-E173 WeakPolarHBondContact O-CA 3.3Å; P155-E173 HydrophobicContact CG-CB 3.92Å; P155-E173 HydrophobicContact CG-CG 3.77Å
174	V	97.2	Very high	95.6	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.121	34%	0.335	C	S	.	.			trans	-139.7	155.7	179.1	-66.3	0	0	0	0	111.2	I122 F151 T152 D153 L172 M190	I122-V174 HydrophobicContact CD1-CG2 3.61Å; F151-V174 HydrophobicContact CB-CG2 4.2Å; F151-V174 HydrophobicContact CD1-CG1 3.8Å; F151-V174 HydrophobicContact CE1-CG1 4.46Å; T152-V174 PolarHBondContact O-N 2.94Å; D153-V174 VanDerWaalsContact CA-O 3.31Å; D153-V174 WeakPolarHBondContact CA-O 3.28Å; L172-V174 PolarHBondContact O-N 3.11Å; V174-M190 HydrophobicContact CB-CE 4.06Å; V174-M190 HydrophobicContact CB-SD 3.8Å; V174-M190 HydrophobicContact CG1-SD 3.84Å; V174-M190 HydrophobicContact CG2-CE 4.39Å; V174-M190 HydrophobicContact CG2-SD 3.88Å
175	R	95.6	Very high	95.5	Very high	165 Å²	165	64 Å²	64	62%	0.623	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-65.1	142.9	177.7	62.8	177.9	-71.3	-174.4	1	112.2	Y177 M190	R175-Y177 HydrophobicContact CG-CD2 4.34Å; R175-Y177 HydrophobicContact CG-CE2 3.79Å; R175-M190 HydrophobicContact CG-CE 4.36Å
176	A	95.2	Very high	95.5	Very high	38 Å²	38	58.5 Å²	58.5	31%	0.314	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-84.8	125.4	166.1	0	0	0	0	0	111.2	I122 K123 D153	I122-A176 HydrophobicContact CG2-CB 3.79Å; K123-A176 HydrophobicContact CG-CB 4.21Å; D153-A176 HydrophobicContact CB-CB 3.8Å; D153-A176 WeakPolarHBondContact OD2-CB 3.49Å
177	Y	93	Very high	95.5	Very high	33 Å²	33	57.2 Å²	57.2	13%	0.129	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-82.3	153	169	-71.8	-95.2	0	0	0	111.1	K123 R175 D182 V183 R186 M190	K123-Y177 WeakPolarHBondContact CE-O 3.49Å; K123-Y177 PolarHBondContact NZ-O 3.4Å; R175-Y177 HydrophobicContact CG-CD2 4.34Å; R175-Y177 HydrophobicContact CG-CE2 3.79Å; Y177-D182 HydrophobicContact CD1-CB 4.03Å; Y177-D182 HydrophobicContact CG-CB 3.94Å; Y177-V183 WeakPolarHBondContact O-CG2 3.45Å; Y177-R186 HydrophobicContact CD1-CG 4.4Å; Y177-R186 HydrophobicContact CD2-CB 4.08Å; Y177-R186 HydrophobicContact CD2-CG 3.9Å; Y177-R186 HydrophobicContact CE1-CG 4.08Å; Y177-R186 HydrophobicContact CE2-CB 3.7Å; Y177-R186 HydrophobicContact CE2-CG 3.52Å; Y177-R186 HydrophobicContact CG-CG 4.33Å; Y177-M190 HydrophobicContact CD2-CE 4.43Å; Y177-M190 HydrophobicContact CE2-CE 3.77Å
178	K	91.1	Very high	95.5	Very high	153 Å²	153	55.9 Å²	55.9	67%	0.665	26%	0.263	S	S	*	.	S	Bend	trans	-66.5	-52.8	-175.9	-164.6	-177.7	-178.8	174.5	0	111.7	K123 E353	K123-K178 PolarHBondContact NZ-O 3.22Å; K178-E353 VanDerWaalsContact CE-OE2 3.27Å; K178-E353 WeakPolarHBondContact CE-OE2 3.39Å; K178-E353 WeakPolarHBondContact CG-OE1 3.27Å
179	R	92.6	Very high	95.5	Very high	96 Å²	96	53.1 Å²	53.1	36%	0.362	25%	0.25	S	C	.	.	S	Bend	trans	-81.5	142.2	-178.6	-60.7	169.6	60.7	-132.5	5.2	110.3	Q181 D182 V183 E296	R179-Q181 PolarHBondContact O-N 2.94Å; R179-D182 HydrophobicContact CB-CB 4.36Å; R179-D182 WeakPolarHBondContact CB-OD2 3.23Å; R179-D182 WeakPolarHBondContact CD-OD2 3.49Å; R179-D182 IonicContact NH1-OD1 3.78Å; R179-D182 PolarHBondContact NH1-OD1 3.18Å; R179-D182 IonicContact NH1-OD2 2.68Å; R179-D182 PolarHBondContact O-N 2.92Å; R179-V183 WeakPolarHBondContact O-CG2 3.36Å; R179-V183 PolarHBondContact O-N 3.46Å; R179-V183 VanDerWaalsContact O-N 3.12Å; R179-E296 IonicContact CZ-OE1 3.28Å; R179-E296 IonicContact CZ-OE2 3.49Å; R179-E296 VanDerWaalsContact CZ-OE2 3.3Å; R179-E296 IonicContact NH1-OE1 2.94Å; R179-E296 IonicContact NH1-OE2 3.59Å; R179-E296 PolarHBondContact NH1-OE2 2.88Å; R179-E296 VanDerWaalsContact NH2-CD 3.26Å; R179-E296 IonicContact NH2-OE1 2.75Å; R179-E296 PolarHBondContact NH2-OE1 3.24Å; R179-E296 IonicContact NH2-OE2 3.24Å; R179-E296 PolarHBondContact NH2-OE2 2.96Å
180	W	90.9	Very high	95.5	Very high	82 Å²	82	51.8 Å²	51.8	31%	0.311	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-30.5	176.2	70.7	-94.1	0	0	0	111.5	V183 S184 H300 R351	W180-V183 WeakPolarHBondContact O-CB 3.46Å; W180-V183 PolarHBondContact O-N 3.22Å; W180-S184 PolarHBondContact O-N 2.96Å; W180-H300 AromaticContact CH2-CE1 3.28Å; W180-H300 WeakPolarHBondContact CH2-CE1 3.25Å; W180-H300 AromaticContact CH2-ND1 3.7Å; W180-H300 AromaticContact CZ2-CE1 3.88Å; W180-H300 AromaticContact CZ3-CE1 3.96Å; W180-H300 AromaticContact CZ3-ND1 3.97Å; W180-R351 HydrophobicContact CB-CB 4.13Å; W180-R351 HydrophobicContact CB-CG 4.05Å; W180-R351 HydrophobicContact CG-CB 4.27Å; W180-R351 HydrophobicContact CG-CG 4.17Å
181	Q	92.4	Very high	95.5	Very high	37 Å²	37	50.9 Å²	50.9	17%	0.173	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-51.6	172.5	-63.6	91.6	-30.5	0	0	110.8	R179 V183 S184 M185 H300	R179-Q181 PolarHBondContact O-N 2.94Å; Q181-V183 VanDerWaalsContact C-N 3.31Å; Q181-V183 PolarHBondContact O-N 2.78Å; Q181-S184 PolarHBondContact O-N 3.33Å; Q181-S184 VanDerWaalsContact O-N 3.15Å; Q181-M185 HydrophobicContact CB-CE 4.23Å; Q181-M185 WeakPolarHBondContact O-CB 3.43Å; Q181-M185 VanDerWaalsContact O-CG 3.31Å; Q181-M185 WeakPolarHBondContact O-CG 3.35Å; Q181-M185 PolarHBondContact O-N 3.32Å; Q181-H300 VanDerWaalsContact CG-CD2 3.43Å; Q181-H300 WeakPolarHBondContact CG-CD2 3.47Å; Q181-H300 WeakPolarHBondContact CG-NE2 3.44Å
182	D	93.3	Very high	95.4	Very high	35 Å²	35	48.4 Å²	48.4	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-37.8	179.2	-59.6	-29.9	0	0	0	111.2	Y177 R179 S184 M185 R186	Y177-D182 HydrophobicContact CD1-CB 4.03Å; Y177-D182 HydrophobicContact CG-CB 3.94Å; R179-D182 HydrophobicContact CB-CB 4.36Å; R179-D182 WeakPolarHBondContact CB-OD2 3.23Å; R179-D182 WeakPolarHBondContact CD-OD2 3.49Å; R179-D182 IonicContact NH1-OD1 3.78Å; R179-D182 PolarHBondContact NH1-OD1 3.18Å; R179-D182 IonicContact NH1-OD2 2.68Å; R179-D182 PolarHBondContact O-N 2.92Å; D182-S184 VanDerWaalsContact C-N 3.33Å; D182-S184 PolarHBondContact O-N 3.46Å; D182-M185 PolarHBondContact O-N 3.1Å; D182-M185 WeakPolarHBondContact OD1-CE 3.35Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 2.73Å
183	V	91.3	Very high	95.4	Very high	29 Å²	29	50.7 Å²	50.7	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-44.6	173.8	172	0	0	0	0	111	I122 Y177 R179 W180 Q181 R187	I122-V183 HydrophobicContact CB-CG1 3.81Å; I122-V183 HydrophobicContact CG1-CG1 3.99Å; I122-V183 HydrophobicContact CG2-CG1 4Å; I122-V183 HydrophobicContact CG2-CG2 4.05Å; Y177-V183 WeakPolarHBondContact O-CG2 3.45Å; R179-V183 WeakPolarHBondContact O-CG2 3.36Å; R179-V183 PolarHBondContact O-N 3.46Å; R179-V183 VanDerWaalsContact O-N 3.12Å; W180-V183 WeakPolarHBondContact O-CB 3.46Å; W180-V183 PolarHBondContact O-N 3.22Å; Q181-V183 VanDerWaalsContact C-N 3.31Å; Q181-V183 PolarHBondContact O-N 2.78Å; V183-R187 WeakPolarHBondContact O-CG 3.43Å
184	S	92.1	Very high	95.4	Very high	28 Å²	28	45.2 Å²	45.2	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-48.5	178.1	-166.3	0	0	0	0	112.2	W180 Q181 D182 R186 R187 D301	W180-S184 PolarHBondContact O-N 2.96Å; Q181-S184 PolarHBondContact O-N 3.33Å; Q181-S184 VanDerWaalsContact O-N 3.15Å; D182-S184 VanDerWaalsContact C-N 3.33Å; D182-S184 PolarHBondContact O-N 3.46Å; S184-R186 PolarHBondContact O-N 2.81Å; S184-R187 WeakPolarHBondContact O-CB 3.47Å; S184-R187 VanDerWaalsContact O-CG 3.24Å; S184-R187 WeakPolarHBondContact O-CG 3.22Å; S184-R187 PolarHBondContact O-N 3.26Å; S184-R187 PolarHBondContact O-NE 3.46Å; S184-R187 VanDerWaalsContact O-NE 3.13Å; S184-D301 WeakPolarHBondContact CB-OD1 3.26Å; S184-D301 PolarHBondContact OG-OD1 2.85Å; S184-D301 PolarHBondContact OG-OD2 2.98Å
185	M	96.9	Very high	95.5	Very high	22 Å²	22	44.2 Å²	44.2	11%	0.108	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-40.6	-177.3	-72.1	-170.6	-61.5	0	0	113	Q181 D182 R187 M188 M287 E296 H300	Q181-M185 HydrophobicContact CB-CE 4.23Å; Q181-M185 WeakPolarHBondContact O-CB 3.43Å; Q181-M185 VanDerWaalsContact O-CG 3.31Å; Q181-M185 WeakPolarHBondContact O-CG 3.35Å; Q181-M185 PolarHBondContact O-N 3.32Å; D182-M185 PolarHBondContact O-N 3.1Å; D182-M185 WeakPolarHBondContact OD1-CE 3.35Å; M185-R187 PolarHBondContact O-N 3.45Å; M185-M188 PolarHBondContact O-N 3.05Å; M185-M287 HydrophobicContact CB-CE 4.42Å; M185-M287 HydrophobicContact CB-SD 3.54Å; M185-M287 VanDerWaalsContact CB-SD 3.54Å; M185-M287 HydrophobicContact CG-SD 3.61Å; M185-M287 VanDerWaalsContact O-CE 3.27Å; M185-M287 WeakPolarHBondContact O-CE 3.44Å; M185-M287 HydrophobicContact SD-SD 3.97Å; M185-E296 HydrophobicContact CE-CG 4.25Å; M185-E296 WeakPolarHBondContact CE-OE2 3.03Å; M185-E296 HydrophobicContact SD-CG 4.19Å; M185-H300 HydrophobicContact CG-CB 3.7Å; M185-H300 HydrophobicContact SD-CB 4.08Å
186	R	97.2	Very high	95.3	Very high	35 Å²	35	41.9 Å²	41.9	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-72.9	-8.1	-175.8	-63.5	-77.1	174.8	-175	-5.4	113.1	Y177 D182 S184 M188 E189 M190 H284 M288	Y177-R186 HydrophobicContact CD1-CG 4.4Å; Y177-R186 HydrophobicContact CD2-CB 4.08Å; Y177-R186 HydrophobicContact CD2-CG 3.9Å; Y177-R186 HydrophobicContact CE1-CG 4.08Å; Y177-R186 HydrophobicContact CE2-CB 3.7Å; Y177-R186 HydrophobicContact CE2-CG 3.52Å; Y177-R186 HydrophobicContact CG-CG 4.33Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 2.73Å; S184-R186 PolarHBondContact O-N 2.81Å; R186-M188 PolarHBondContact O-N 2.62Å; R186-E189 WeakPolarHBondContact CD-OE2 3.25Å; R186-E189 IonicContact CZ-OE2 3.59Å; R186-E189 IonicContact NE-OE2 2.93Å; R186-E189 IonicContact NH1-OE2 3.49Å; R186-E189 PolarHBondContact NH1-OE2 3.48Å; R186-E189 PolarHBondContact O-N 3.21Å; R186-M190 HydrophobicContact CB-CE 4.25Å; R186-M190 WeakPolarHBondContact O-CG 3.28Å; R186-M190 PolarHBondContact O-N 2.82Å; R186-H284 PolarHBondContact NH1-CE1 2.79Å; R186-M288 PolarHBondContact NH1-SD 2.95Å; R186-M288 VanDerWaalsContact NH1-SD 3.41Å
187	R	97.3	Very high	95.2	Very high	13 Å²	13	47.8 Å²	47.8	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-39.8	169.3	-61.4	-173.8	-61.3	149.5	5.8	111.4	F120 V183 S184 M185 E189 M190 I191 D210 G266 D301	F120-R187 HydrophobicContact CB-CG 4.29Å; F120-R187 HydrophobicContact CD1-CG 3.85Å; F120-R187 HydrophobicContact CD2-CB 4.1Å; F120-R187 HydrophobicContact CD2-CG 3.63Å; F120-R187 HydrophobicContact CE1-CB 4.37Å; F120-R187 HydrophobicContact CE1-CG 4.07Å; F120-R187 HydrophobicContact CE2-CB 3.82Å; F120-R187 HydrophobicContact CE2-CG 3.86Å; F120-R187 HydrophobicContact CG-CB 4.49Å; F120-R187 HydrophobicContact CG-CG 3.64Å; F120-R187 HydrophobicContact CZ-CB 3.97Å; F120-R187 HydrophobicContact CZ-CG 4.08Å; V183-R187 WeakPolarHBondContact O-CG 3.43Å; S184-R187 WeakPolarHBondContact O-CB 3.47Å; S184-R187 VanDerWaalsContact O-CG 3.24Å; S184-R187 WeakPolarHBondContact O-CG 3.22Å; S184-R187 PolarHBondContact O-N 3.26Å; S184-R187 PolarHBondContact O-NE 3.46Å; S184-R187 VanDerWaalsContact O-NE 3.13Å; M185-R187 PolarHBondContact O-N 3.45Å; R187-E189 PolarHBondContact O-N 2.78Å; R187-M190 PolarHBondContact O-N 2.82Å; R187-I191 HydrophobicContact CB-CD1 4.4Å; R187-I191 WeakPolarHBondContact O-CB 3.45Å; R187-I191 WeakPolarHBondContact O-CD1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.34Å; R187-I191 PolarHBondContact O-N 2.76Å; R187-D210 IonicContact CZ-OD1 3.55Å; R187-D210 IonicContact NH1-OD1 3.45Å; R187-D210 PolarHBondContact NH1-OD1 3.04Å; R187-D210 IonicContact NH2-OD1 3.56Å; R187-G266 PolarHBondContact NH2-O 2.91Å; R187-D301 IonicContact CZ-OD2 3.76Å; R187-D301 IonicContact NE-OD2 2.63Å; R187-D301 IonicContact NH2-OD2 3.81Å; R187-D301 PolarHBondContact NH2-OD2 3.5Å
188	M	98.2	Very high	95.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-45.6	179.7	-63	-64.7	179	0	0	111.7	M185 R186 S192 F269 L279 T280 C283 H284 M287 D301	M185-M188 PolarHBondContact O-N 3.05Å; R186-M188 PolarHBondContact O-N 2.62Å; M188-S192 WeakPolarHBondContact O-CB 3.24Å; M188-S192 PolarHBondContact O-N 3.02Å; M188-S192 PolarHBondContact O-OG 2.84Å; M188-F269 HydrophobicContact CE-CE1 4.06Å; M188-F269 HydrophobicContact CE-CZ 4.02Å; M188-F269 HydrophobicContact SD-CZ 4.11Å; M188-L279 HydrophobicContact SD-CD2 4.14Å; M188-T280 WeakPolarHBondContact O-CB 3.44Å; M188-T280 HydrophobicContact SD-CG2 3.83Å; M188-C283 HydrophobicContact CB-CB 4.35Å; M188-C283 HydrophobicContact CG-CB 3.95Å; M188-C283 HydrophobicContact SD-CB 4.05Å; M188-H284 HydrophobicContact CB-CB 4.19Å; M188-M287 HydrophobicContact CB-CE 3.63Å; M188-M287 HydrophobicContact CG-CE 3.59Å; M188-D301 HydrophobicContact CE-CB 3.92Å; M188-D301 HydrophobicContact CG-CB 4.28Å
189	E	98.5	Very high	95.7	Very high	47 Å²	47	42.4 Å²	42.4	22%	0.22	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-54.1	174.7	-174.6	179.2	177.8	0	0	110.8	R186 R187 I191 S192 D193 H284	R186-E189 WeakPolarHBondContact CD-OE2 3.25Å; R186-E189 IonicContact CZ-OE2 3.59Å; R186-E189 IonicContact NE-OE2 2.93Å; R186-E189 IonicContact NH1-OE2 3.49Å; R186-E189 PolarHBondContact NH1-OE2 3.48Å; R186-E189 PolarHBondContact O-N 3.21Å; R187-E189 PolarHBondContact O-N 2.78Å; E189-I191 PolarHBondContact O-N 2.98Å; E189-S192 PolarHBondContact O-N 3.19Å; E189-S192 VanDerWaalsContact O-N 3.11Å; E189-S192 PolarHBondContact O-OG 3Å; E189-D193 PolarHBondContact O-N 3.39Å; E189-H284 IonicContact OE2-CE1 3.77Å; E189-H284 PolarHBondContact OE2-CE1 3.06Å
190	M	98.3	Very high	95.9	Very high	23 Å²	23	42.6 Å²	42.6	11%	0.113	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-41.3	-175.5	-66	177.3	-171.8	0	0	112.4	F120 F151 V174 R175 Y177 R186 R187 S192 D193 F194	F120-M190 HydrophobicContact CD1-SD 4.42Å; F120-M190 HydrophobicContact CE1-CB 3.96Å; F120-M190 HydrophobicContact CE1-CG 4.41Å; F120-M190 HydrophobicContact CE1-SD 3.58Å; F120-M190 VanDerWaalsContact CE1-SD 3.58Å; F120-M190 HydrophobicContact CZ-CB 3.88Å; F120-M190 HydrophobicContact CZ-SD 4.45Å; F151-M190 HydrophobicContact CD1-CB 4.43Å; F151-M190 HydrophobicContact CE1-CB 4.16Å; V174-M190 HydrophobicContact CB-CE 4.06Å; V174-M190 HydrophobicContact CB-SD 3.8Å; V174-M190 HydrophobicContact CG1-SD 3.84Å; V174-M190 HydrophobicContact CG2-CE 4.39Å; V174-M190 HydrophobicContact CG2-SD 3.88Å; R175-M190 HydrophobicContact CG-CE 4.36Å; Y177-M190 HydrophobicContact CD2-CE 4.43Å; Y177-M190 HydrophobicContact CE2-CE 3.77Å; R186-M190 HydrophobicContact CB-CE 4.25Å; R186-M190 WeakPolarHBondContact O-CG 3.28Å; R186-M190 PolarHBondContact O-N 2.82Å; R187-M190 PolarHBondContact O-N 2.82Å; M190-S192 VanDerWaalsContact C-N 3.35Å; M190-D193 PolarHBondContact O-N 3.37Å; M190-F194 VanDerWaalsContact O-CD2 3.29Å; M190-F194 WeakPolarHBondContact O-CD2 3.47Å; M190-F194 PolarHBondContact O-N 3.32Å; M190-F194 VanDerWaalsContact O-N 3.08Å
191	I	98.6	Very high	96.2	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-63.3	-44.3	175	-65.7	161.2	0	0	0	109.9	F120 R187 E189 D193 F194 C195 F199 C208 F269 V276 T280	F120-I191 HydrophobicContact CE2-CD1 3.96Å; F120-I191 HydrophobicContact CE2-CG1 3.82Å; F120-I191 HydrophobicContact CZ-CG1 4.03Å; R187-I191 HydrophobicContact CB-CD1 4.4Å; R187-I191 WeakPolarHBondContact O-CB 3.45Å; R187-I191 WeakPolarHBondContact O-CD1 3.26Å; R187-I191 WeakPolarHBondContact O-CG1 3.34Å; R187-I191 PolarHBondContact O-N 2.76Å; E189-I191 PolarHBondContact O-N 2.98Å; I191-D193 PolarHBondContact O-N 3.01Å; I191-F194 PolarHBondContact O-N 3.37Å; I191-C195 PolarHBondContact O-N 2.69Å; I191-C195 PolarHBondContact O-SG 2.76Å; I191-F199 HydrophobicContact CG2-CE2 4.39Å; I191-C208 HydrophobicContact CD1-CB 4.23Å; I191-F269 HydrophobicContact CD1-CZ 4.2Å; I191-V276 HydrophobicContact CG2-CG1 3.81Å; I191-T280 HydrophobicContact CB-CG2 4.03Å; I191-T280 HydrophobicContact CD1-CG2 4.43Å; I191-T280 HydrophobicContact CG2-CG2 3.79Å
192	S	98.3	Very high	96.5	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.042	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-40.5	-179.2	75.8	0	0	0	0	112.6	M188 E189 M190 C195 T280	M188-S192 WeakPolarHBondContact O-CB 3.24Å; M188-S192 PolarHBondContact O-N 3.02Å; M188-S192 PolarHBondContact O-OG 2.84Å; E189-S192 PolarHBondContact O-N 3.19Å; E189-S192 VanDerWaalsContact O-N 3.11Å; E189-S192 PolarHBondContact O-OG 3Å; M190-S192 VanDerWaalsContact C-N 3.35Å; S192-C195 WeakPolarHBondContact O-CB 3.49Å; S192-C195 PolarHBondContact O-N 2.99Å; S192-T280 WeakPolarHBondContact CB-OG1 3.25Å
193	D	97.9	Very high	96.7	Very high	55 Å²	55	43.4 Å²	43.4	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-46.7	175	-86.9	16.4	0	0	0	111.5	E189 M190 I191 C195 E196 R197	E189-D193 PolarHBondContact O-N 3.39Å; M190-D193 PolarHBondContact O-N 3.37Å; I191-D193 PolarHBondContact O-N 3.01Å; D193-C195 VanDerWaalsContact C-N 3.3Å; D193-C195 PolarHBondContact O-N 2.76Å; D193-E196 PolarHBondContact O-N 3.28Å; D193-R197 VanDerWaalsContact O-CG 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.5Å; D193-R197 PolarHBondContact O-N 2.7Å; D193-R197 VanDerWaalsContact O-N 3.1Å; D193-R197 IonicContact OD2-CZ 3.79Å; D193-R197 IonicContact OD2-NH2 2.99Å; D193-R197 PolarHBondContact OD2-NH2 2.64Å
194	F	98.4	Very high	97.1	Very high	28 Å²	28	45.7 Å²	45.7	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-75.4	-18.5	-178.5	-83.8	-93.2	0	0	0	113.5	F151 L172 M190 I191 E196 R197 R198 F199	F151-F194 AromaticContact CE1-CD2 3.5Å; F151-F194 HydrophobicContact CE1-CD2 3.5Å; F151-F194 VanDerWaalsContact CE1-CD2 3.5Å; F151-F194 AromaticContact CE1-CE2 3.69Å; F151-F194 HydrophobicContact CE1-CE2 3.69Å; F151-F194 AromaticContact CE1-CG 3.99Å; F151-F194 HydrophobicContact CE1-CG 3.99Å; F151-F194 HydrophobicContact CE1-CZ 4.37Å; F151-F194 HydrophobicContact CZ-CB 4.13Å; F151-F194 AromaticContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CD2 3.94Å; F151-F194 HydrophobicContact CZ-CE2 4.49Å; F151-F194 AromaticContact CZ-CG 3.99Å; F151-F194 HydrophobicContact CZ-CG 3.99Å; L172-F194 HydrophobicContact CB-CE1 4.27Å; L172-F194 HydrophobicContact CB-CZ 4.11Å; L172-F194 HydrophobicContact CD1-CD1 3.66Å; L172-F194 HydrophobicContact CD1-CE1 3.67Å; L172-F194 HydrophobicContact CD1-CG 4.17Å; L172-F194 HydrophobicContact CD1-CZ 4.16Å; L172-F194 HydrophobicContact CD2-CD1 4.32Å; L172-F194 HydrophobicContact CD2-CE1 3.7Å; L172-F194 HydrophobicContact CD2-CZ 4.34Å; L172-F194 HydrophobicContact CG-CE1 4.08Å; L172-F194 HydrophobicContact CG-CZ 4.43Å; M190-F194 VanDerWaalsContact O-CD2 3.29Å; M190-F194 WeakPolarHBondContact O-CD2 3.47Å; M190-F194 PolarHBondContact O-N 3.32Å; M190-F194 VanDerWaalsContact O-N 3.08Å; I191-F194 PolarHBondContact O-N 3.37Å; F194-E196 VanDerWaalsContact C-N 3.28Å; F194-E196 PolarHBondContact O-N 3.44Å; F194-R197 PolarHBondContact O-N 3.13Å; F194-R198 HydrophobicContact CD1-CG 4.21Å; F194-R198 PolarHBondContact O-N 3.34Å; F194-F199 HydrophobicContact CB-CD2 4.04Å; F194-F199 HydrophobicContact CB-CE1 4Å; F194-F199 HydrophobicContact CB-CE2 3.39Å; F194-F199 HydrophobicContact CB-CZ 3.38Å; F194-F199 HydrophobicContact CG-CZ 4.3Å; F194-F199 WeakPolarHBondContact O-CD2 3.21Å; F194-F199 WeakPolarHBondContact O-CG 3.34Å; F194-F199 PolarHBondContact O-N 3.15Å
195	C	97.6	Very high	97.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-56.9	-45.7	166.3	-69.9	0	0	0	0	110.7	I191 S192 D193 F199 L200 V273 Q277	I191-C195 PolarHBondContact O-N 2.69Å; I191-C195 PolarHBondContact O-SG 2.76Å; S192-C195 WeakPolarHBondContact O-CB 3.49Å; S192-C195 PolarHBondContact O-N 2.99Å; D193-C195 VanDerWaalsContact C-N 3.3Å; D193-C195 PolarHBondContact O-N 2.76Å; C195-F199 HydrophobicContact CB-CD2 4.3Å; C195-F199 VanDerWaalsContact N-CD2 3.32Å; C195-L200 WeakPolarHBondContact O-CB 3.27Å; C195-L200 WeakPolarHBondContact O-CD1 3.3Å; C195-L200 VanDerWaalsContact O-CG 3.22Å; C195-L200 WeakPolarHBondContact O-CG 3.02Å; C195-L200 PolarHBondContact O-N 3.3Å; C195-V273 HydrophobicContact CB-CG1 4.17Å; C195-Q277 HydrophobicContact CB-CB 3.77Å; C195-Q277 HydrophobicContact CB-CG 3.81Å
196	E	92.7	Very high	97.5	Very high	115 Å²	115	45.3 Å²	45.3	54%	0.537	22%	0.218	S	C	.	.	I	π-helix	trans	-73.7	-40.1	179.7	-64.2	179.6	-168.6	0	0	112.4	D193 F194 Q277 R281	D193-E196 PolarHBondContact O-N 3.28Å; F194-E196 VanDerWaalsContact C-N 3.28Å; F194-E196 PolarHBondContact O-N 3.44Å; E196-Q277 PolarHBondContact OE1-NE2 2.83Å; E196-R281 IonicContact OE1-CZ 3.5Å; E196-R281 IonicContact OE1-NH2 3.63Å; E196-R281 PolarHBondContact OE1-NH2 3.11Å
197	R	93.6	Very high	97.6	Very high	162 Å²	162	43.7 Å²	43.7	61%	0.611	21%	0.212	S	C	*	.	I	π-helix	trans	-78.4	-33.1	-173.3	-64.2	172.7	-166	-167.5	9.6	113.8	D193 F194	D193-R197 VanDerWaalsContact O-CG 3.3Å; D193-R197 WeakPolarHBondContact O-CG 3.5Å; D193-R197 PolarHBondContact O-N 2.7Å; D193-R197 VanDerWaalsContact O-N 3.1Å; D193-R197 IonicContact OD2-CZ 3.79Å; D193-R197 IonicContact OD2-NH2 2.99Å; D193-R197 PolarHBondContact OD2-NH2 2.64Å; F194-R197 PolarHBondContact O-N 3.13Å
198	R	95.6	Very high	97.7	Very high	73 Å²	73	43.1 Å²	43.1	28%	0.275	21%	0.21	S	C	.	.	I	π-helix	trans	-140.8	-56	-169.2	-65.2	-165.6	71.4	163.8	1.2	113.7	F194 L200 S201 E202	F194-R198 HydrophobicContact CD1-CG 4.21Å; F194-R198 PolarHBondContact O-N 3.34Å; R198-L200 VanDerWaalsContact C-N 3.3Å; R198-L200 PolarHBondContact O-N 3.12Å; R198-S201 PolarHBondContact O-N 3.24Å; R198-S201 PolarHBondContact O-OG 2.93Å; R198-E202 IonicContact CZ-OE1 3.51Å; R198-E202 VanDerWaalsContact CZ-OE1 3.28Å; R198-E202 IonicContact CZ-OE2 3.59Å; R198-E202 IonicContact NE-OE1 2.63Å; R198-E202 PolarHBondContact NE-OE1 2.81Å; R198-E202 IonicContact NE-OE2 2.81Å; R198-E202 PolarHBondContact NE-OE2 3.43Å; R198-E202 IonicContact NH2-OE1 3.71Å; R198-E202 PolarHBondContact NH2-OE1 3.31Å; R198-E202 IonicContact NH2-OE2 3.87Å; R198-E202 PolarHBondContact O-N 2.86Å
199	F	98.1	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-61.9	-37.2	-161.5	-50.7	-36	0	0	0	113	T118 Y149 F151 I191 F194 C195 S201 E202 V203 L206 V273	T118-F199 HydrophobicContact CG2-CE2 4.1Å; T118-F199 HydrophobicContact CG2-CZ 3.83Å; Y149-F199 HydrophobicContact CD1-CD1 4.3Å; Y149-F199 AromaticContact CD1-CE1 3.58Å; Y149-F199 HydrophobicContact CD1-CE1 3.58Å; Y149-F199 HydrophobicContact CD2-CD1 4.03Å; Y149-F199 AromaticContact CD2-CE1 3.55Å; Y149-F199 HydrophobicContact CD2-CE1 3.55Å; Y149-F199 HydrophobicContact CD2-CZ 4.27Å; Y149-F199 AromaticContact CE1-CD1 3.91Å; Y149-F199 HydrophobicContact CE1-CD1 3.91Å; Y149-F199 AromaticContact CE1-CE1 3.67Å; Y149-F199 HydrophobicContact CE1-CE1 3.67Å; Y149-F199 AromaticContact CE2-CD1 3.64Å; Y149-F199 HydrophobicContact CE2-CD1 3.64Å; Y149-F199 AromaticContact CE2-CE1 3.65Å; Y149-F199 HydrophobicContact CE2-CE1 3.65Å; Y149-F199 HydrophobicContact CG-CD1 4.32Å; Y149-F199 AromaticContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CE1 3.5Å; Y149-F199 VanDerWaalsContact CG-CE1 3.5Å; Y149-F199 HydrophobicContact CG-CZ 4.18Å; Y149-F199 AromaticContact CZ-CD1 3.55Å; Y149-F199 AromaticContact CZ-CE1 3.68Å; F151-F199 HydrophobicContact CE2-CZ 4.12Å; F151-F199 AromaticContact CZ-CZ 3.86Å; F151-F199 HydrophobicContact CZ-CZ 3.86Å; I191-F199 HydrophobicContact CG2-CE2 4.39Å; F194-F199 HydrophobicContact CB-CD2 4.04Å; F194-F199 HydrophobicContact CB-CE1 4Å; F194-F199 HydrophobicContact CB-CE2 3.39Å; F194-F199 HydrophobicContact CB-CZ 3.38Å; F194-F199 HydrophobicContact CG-CZ 4.3Å; F194-F199 WeakPolarHBondContact O-CD2 3.21Å; F194-F199 WeakPolarHBondContact O-CG 3.34Å; F194-F199 PolarHBondContact O-N 3.15Å; C195-F199 HydrophobicContact CB-CD2 4.3Å; C195-F199 VanDerWaalsContact N-CD2 3.32Å; F199-S201 PolarHBondContact O-N 2.96Å; F199-S201 VanDerWaalsContact O-N 3.09Å; F199-E202 PolarHBondContact O-N 3.41Å; F199-E202 VanDerWaalsContact O-N 3.09Å; F199-V203 HydrophobicContact CB-CG2 4.12Å; F199-V203 PolarHBondContact O-N 2.93Å; F199-L206 HydrophobicContact CB-CD1 3.91Å; F199-L206 HydrophobicContact CB-CD2 4.23Å; F199-L206 HydrophobicContact CB-CG 4.39Å; F199-L206 HydrophobicContact CD1-CD2 4.29Å; F199-L206 HydrophobicContact CD2-CD1 3.43Å; F199-L206 VanDerWaalsContact CD2-CD1 3.43Å; F199-L206 HydrophobicContact CD2-CD2 3.95Å; F199-L206 HydrophobicContact CD2-CG 4.32Å; F199-L206 HydrophobicContact CE2-CD1 4.16Å; F199-L206 HydrophobicContact CE2-CD2 4.32Å; F199-L206 HydrophobicContact CG-CD1 3.91Å; F199-L206 HydrophobicContact CG-CD2 3.92Å; F199-L206 HydrophobicContact CG-CG 4.45Å; F199-V273 HydrophobicContact CB-CG1 3.89Å; F199-V273 HydrophobicContact CB-CG2 4.3Å
200	L	96.2	Very high	97.7	Very high	100 Å²	100	42.5 Å²	42.5	52%	0.524	21%	0.208	S	C	.	.	H	α-helix	trans	-57.8	-24.8	177.3	-79.3	170.3	0	0	0	114	C195 R198 V273	C195-L200 WeakPolarHBondContact O-CB 3.27Å; C195-L200 WeakPolarHBondContact O-CD1 3.3Å; C195-L200 VanDerWaalsContact O-CG 3.22Å; C195-L200 WeakPolarHBondContact O-CG 3.02Å; C195-L200 PolarHBondContact O-N 3.3Å; R198-L200 VanDerWaalsContact C-N 3.3Å; R198-L200 PolarHBondContact O-N 3.12Å; L200-V273 HydrophobicContact CB-CG1 4.42Å; L200-V273 HydrophobicContact CD2-CB 4.04Å; L200-V273 HydrophobicContact CD2-CG1 3.6Å; L200-V273 HydrophobicContact CG-CG1 3.7Å
201	S	97.4	Very high	97.7	Very high	104 Å²	104	41.6 Å²	41.6	73%	0.727	20%	0.204	S	C	*	.	H	α-helix	trans	-101	-11.5	-179.8	63.8	0	0	0	0	114.1	R198 F199	R198-S201 PolarHBondContact O-N 3.24Å; R198-S201 PolarHBondContact O-OG 2.93Å; F199-S201 PolarHBondContact O-N 2.96Å; F199-S201 VanDerWaalsContact O-N 3.09Å
202	E	98.5	Very high	97.6	Very high	57 Å²	57	41.8 Å²	41.8	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-114.5	-31.5	-169.2	-69.2	-179	173.3	0	0	113.2	H147 Y149 R198 F199	H147-E202 IonicContact CE1-OE2 3.47Å; H147-E202 PolarHBondContact CE1-OE2 2.83Å; H147-E202 VanDerWaalsContact CE1-OE2 3.24Å; H147-E202 IonicContact ND1-OE2 3.44Å; Y149-E202 WeakPolarHBondContact CE1-OE2 3.27Å; Y149-E202 VanDerWaalsContact CZ-OE2 3.26Å; Y149-E202 VanDerWaalsContact OH-CB 3.26Å; Y149-E202 WeakPolarHBondContact OH-CB 3.38Å; Y149-E202 PolarHBondContact OH-OE2 2.89Å; R198-E202 IonicContact CZ-OE1 3.51Å; R198-E202 VanDerWaalsContact CZ-OE1 3.28Å; R198-E202 IonicContact CZ-OE2 3.59Å; R198-E202 IonicContact NE-OE1 2.63Å; R198-E202 PolarHBondContact NE-OE1 2.81Å; R198-E202 IonicContact NE-OE2 2.81Å; R198-E202 PolarHBondContact NE-OE2 3.43Å; R198-E202 IonicContact NH2-OE1 3.71Å; R198-E202 PolarHBondContact NH2-OE1 3.31Å; R198-E202 IonicContact NH2-OE2 3.87Å; R198-E202 PolarHBondContact O-N 2.86Å; F199-E202 PolarHBondContact O-N 3.41Å; F199-E202 VanDerWaalsContact O-N 3.09Å
203	V	98.8	Very high	97.6	Very high	10 Å²	10	41.5 Å²	41.5	6%	0.061	20%	0.203	C	C	.	.			trans	-140.9	154.3	-172.3	-54.9	0	0	0	0	112.3	T114 H147 Y149 F199 L206 V273	T114-V203 HydrophobicContact CG2-CB 4.41Å; T114-V203 HydrophobicContact CG2-CG1 3.94Å; H147-V203 HydrophobicContact CB-CG1 3.95Å; Y149-V203 HydrophobicContact CE2-CG1 4.11Å; F199-V203 HydrophobicContact CB-CG2 4.12Å; F199-V203 PolarHBondContact O-N 2.93Å; V203-L206 HydrophobicContact CG2-CD2 3.93Å; V203-L206 HydrophobicContact CG2-CG 4.15Å; V203-V273 HydrophobicContact CG2-CG2 3.78Å; V203-V273 VanDerWaalsContact O-CG2 3.23Å; V203-V273 WeakPolarHBondContact O-CG2 3.49Å
204	D	98.8	Very high	97.6	Very high	78 Å²	78	40.5 Å²	40.5	42%	0.417	20%	0.196	S	C	.	.	S	Bend	trans	-87.5	-39.6	177.4	-56	-62.9	0	0	0	111.4	T113 T114 V273	T113-D204 VanDerWaalsContact CA-OD2 3.32Å; T113-D204 WeakPolarHBondContact CA-OD2 3.36Å; T113-D204 HydrophobicContact CG2-CB 4.25Å; T114-D204 PolarHBondContact N-OD2 2.84Å; T114-D204 PolarHBondContact O-N 3.2Å; D204-V273 PolarHBondContact O-N 3.02Å
205	Y	98.9	Very high	97.6	Very high	42 Å²	42	39.3 Å²	39.3	17%	0.165	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148	-178.3	-64.3	-89.4	0	0	0	111.1	F108 T113 T114 G116 L224 T225 G271	F108-Y205 HydrophobicContact CE1-CE2 4.06Å; T113-Y205 HydrophobicContact CG2-CD2 3.66Å; T113-Y205 HydrophobicContact CG2-CE2 3.88Å; T114-Y205 PolarHBondContact O-N 2.76Å; G116-Y205 PolarHBondContact N-O 3.31Å; Y205-L224 HydrophobicContact CD1-CB 4.32Å; Y205-L224 HydrophobicContact CD1-CD2 4.38Å; Y205-L224 HydrophobicContact CD2-CD1 4.14Å; Y205-L224 HydrophobicContact CD2-CD2 4.46Å; Y205-L224 HydrophobicContact CE1-CB 4.39Å; Y205-L224 HydrophobicContact CG-CB 4.41Å; Y205-L224 HydrophobicContact CG-CD1 4.48Å; Y205-L224 HydrophobicContact CG-CD2 3.98Å; Y205-T225 WeakPolarHBondContact CE1-O 3.36Å; Y205-G271 CarbonylContact C-O 3.1Å; Y205-G271 VanDerWaalsContact CA-O 3.26Å; Y205-G271 WeakPolarHBondContact CA-O 3.46Å
206	L	98.9	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.3	170.6	-76.7	168.8	0	0	0	110.3	G116 T118 Y149 F199 V203 G270 G271 V273 V276	G116-L206 CarbonylContact O-C 3.6Å; G116-L206 WeakPolarHBondContact O-CA 3.42Å; T118-L206 HydrophobicContact CG2-CD2 3.93Å; Y149-L206 HydrophobicContact CE2-CD2 4.48Å; F199-L206 HydrophobicContact CB-CD1 3.91Å; F199-L206 HydrophobicContact CB-CD2 4.23Å; F199-L206 HydrophobicContact CB-CG 4.39Å; F199-L206 HydrophobicContact CD1-CD2 4.29Å; F199-L206 HydrophobicContact CD2-CD1 3.43Å; F199-L206 VanDerWaalsContact CD2-CD1 3.43Å; F199-L206 HydrophobicContact CD2-CD2 3.95Å; F199-L206 HydrophobicContact CD2-CG 4.32Å; F199-L206 HydrophobicContact CE2-CD1 4.16Å; F199-L206 HydrophobicContact CE2-CD2 4.32Å; F199-L206 HydrophobicContact CG-CD1 3.91Å; F199-L206 HydrophobicContact CG-CD2 3.92Å; F199-L206 HydrophobicContact CG-CG 4.45Å; V203-L206 HydrophobicContact CG2-CD2 3.93Å; V203-L206 HydrophobicContact CG2-CG 4.15Å; L206-G270 CarbonylContact O-C 3.59Å; L206-G270 WeakPolarHBondContact O-CA 3.41Å; L206-G271 PolarHBondContact N-O 2.9Å; L206-G271 PolarHBondContact O-N 2.9Å; L206-V273 HydrophobicContact CD1-CB 4.45Å; L206-V273 HydrophobicContact CD1-CG1 4.15Å; L206-V273 HydrophobicContact CD1-CG2 4.23Å; L206-V273 HydrophobicContact CG-CG2 4.16Å; L206-V276 HydrophobicContact CB-CB 4.27Å; L206-V276 HydrophobicContact CB-CG1 4.18Å; L206-V276 HydrophobicContact CB-CG2 3.99Å; L206-V276 HydrophobicContact CD1-CB 4.22Å; L206-V276 HydrophobicContact CD1-CG1 3.93Å
207	V	98.9	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.4	169.5	177.8	0	0	0	0	107	I115 G116 L117 T118 F140 V209 I223 F228 F268	I115-V207 HydrophobicContact CG2-CG2 3.94Å; G116-V207 PolarHBondContact O-N 2.82Å; L117-V207 WeakPolarHBondContact CA-O 3.19Å; L117-V207 HydrophobicContact CD1-CB 3.81Å; L117-V207 HydrophobicContact CD1-CG1 3.61Å; T118-V207 PolarHBondContact N-O 2.98Å; F140-V207 HydrophobicContact CE2-CB 4.36Å; F140-V207 HydrophobicContact CE2-CG1 4.16Å; F140-V207 HydrophobicContact CE2-CG2 4.26Å; F140-V207 HydrophobicContact CZ-CB 4.13Å; F140-V207 HydrophobicContact CZ-CG1 4.4Å; F140-V207 HydrophobicContact CZ-CG2 4.06Å; V207-V209 HydrophobicContact CG1-CG1 3.89Å; V207-I223 HydrophobicContact CG2-CD1 3.98Å; V207-F228 HydrophobicContact CG1-CZ 4.37Å; V207-F228 HydrophobicContact CG2-CE1 4.43Å; V207-F228 HydrophobicContact CG2-CZ 4.19Å; V207-F268 HydrophobicContact CG1-CD1 4.19Å; V207-F268 HydrophobicContact CG1-CE1 3.51Å; V207-F268 HydrophobicContact CG1-CZ 4.13Å
208	C	98.9	Very high	98.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.7	-175.2	-58.1	0	0	0	0	109.4	T118 I191 F268 F269	T118-C208 WeakPolarHBondContact OG1-CA 3.4Å; T118-C208 WeakPolarHBondContact OG1-CB 3.48Å; T118-C208 PolarHBondContact OG1-SG 2.97Å; I191-C208 HydrophobicContact CD1-CB 4.23Å; C208-F268 WeakPolarHBondContact O-CA 3.28Å; C208-F269 HydrophobicContact CB-CD1 4.26Å; C208-F269 HydrophobicContact CB-CD2 4.01Å; C208-F269 HydrophobicContact CB-CE1 3.85Å; C208-F269 HydrophobicContact CB-CE2 3.56Å; C208-F269 HydrophobicContact CB-CG 4.34Å; C208-F269 HydrophobicContact CB-CZ 3.48Å; C208-F269 VanDerWaalsContact CB-CZ 3.48Å; C208-F269 PolarHBondContact N-O 3.19Å; C208-F269 PolarHBondContact O-N 2.89Å; C208-F269 VanDerWaalsContact O-N 3.1Å
209	V	98.8	Very high	98.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.5	-172.4	-61.9	0	0	0	0	113.7	L117 T118 F132 V207 G267 F268 F340	L117-V209 HydrophobicContact CD1-CG1 4.37Å; L117-V209 HydrophobicContact CD1-CG2 3.7Å; L117-V209 HydrophobicContact CG-CG2 4.38Å; T118-V209 PolarHBondContact O-N 2.88Å; F132-V209 HydrophobicContact CE2-CG2 3.65Å; F132-V209 HydrophobicContact CZ-CG2 3.51Å; V207-V209 HydrophobicContact CG1-CG1 3.89Å; V209-G267 CarbonylContact C-O 3.51Å; V209-G267 WeakPolarHBondContact CA-O 3.4Å; V209-F268 HydrophobicContact CG1-CB 4.24Å; V209-F268 HydrophobicContact CG1-CD1 3.68Å; V209-F268 HydrophobicContact CG1-CD2 3.97Å; V209-F268 HydrophobicContact CG1-CE1 4Å; V209-F268 HydrophobicContact CG1-CE2 4.25Å; V209-F268 HydrophobicContact CG1-CG 3.7Å; V209-F268 HydrophobicContact CG1-CZ 4.28Å; V209-F340 HydrophobicContact CB-CE1 4.2Å; V209-F340 HydrophobicContact CB-CZ 4.05Å; V209-F340 HydrophobicContact CG1-CE1 4.34Å; V209-F340 HydrophobicContact CG1-CZ 4.47Å; V209-F340 HydrophobicContact CG2-CZ 4.29Å
210	D	97.7	Very high	98.4	Very high	33 Å²	33	31.9 Å²	31.9	18%	0.176	16%	0.164	C	C	.	.			trans	-73.9	148.2	169.2	-75.7	-22.1	0	0	0	112.2	R187 M213 G267	R187-D210 IonicContact CZ-OD1 3.55Å; R187-D210 IonicContact NH1-OD1 3.45Å; R187-D210 PolarHBondContact NH1-OD1 3.04Å; R187-D210 IonicContact NH2-OD1 3.56Å; D210-M213 HydrophobicContact CB-CE 4.34Å; D210-M213 HydrophobicContact CB-CG 4.26Å; D210-G267 VanDerWaalsContact CG-CA 3.5Å; D210-G267 PolarHBondContact N-O 3.13Å; D210-G267 WeakPolarHBondContact OD2-CA 3.47Å
211	V	98.2	Very high	98.5	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.024	14%	0.139	C	C	.	.	S	Bend	trans	-86.3	-24.5	-173.5	72.9	0	0	0	0	113.7	V119 F120 A121 Y125 F128 L129 F132 M213	V119-V211 HydrophobicContact CG2-CB 3.34Å; V119-V211 HydrophobicContact CG2-CG2 3.47Å; V119-V211 VanDerWaalsContact CG2-CG2 3.47Å; F120-V211 WeakPolarHBondContact O-CG1 3.45Å; A121-V211 HydrophobicContact CB-CG2 4.33Å; Y125-V211 HydrophobicContact CD1-CG1 3.83Å; Y125-V211 HydrophobicContact CG-CG1 4.33Å; F128-V211 HydrophobicContact CB-CG1 4.31Å; F128-V211 HydrophobicContact CB-CG2 4.1Å; F128-V211 VanDerWaalsContact CB-O 3.29Å; F128-V211 WeakPolarHBondContact CB-O 3.48Å; F128-V211 HydrophobicContact CD2-CG1 4.27Å; L129-V211 HydrophobicContact CD2-CG2 3.78Å; L129-V211 HydrophobicContact CG-CG2 4.2Å; F132-V211 HydrophobicContact CB-CG2 4.43Å; F132-V211 HydrophobicContact CG-CG2 4.4Å; V211-M213 PolarHBondContact O-N 3.09Å
212	D	96.8	Very high	98.6	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.032	11%	0.105	C	C	.	.	S	Bend	trans	-83	45.9	-176.4	54.2	-6.2	0	0	0	112	Y125 F128 V343 K345	Y125-D212 HydrophobicContact CD1-CB 4.33Å; Y125-D212 HydrophobicContact CE1-CB 4.28Å; F128-D212 HydrophobicContact CD1-CB 4.12Å; F128-D212 HydrophobicContact CD2-CB 3.8Å; F128-D212 HydrophobicContact CE1-CB 4.09Å; F128-D212 HydrophobicContact CE2-CB 3.77Å; F128-D212 HydrophobicContact CG-CB 3.98Å; F128-D212 HydrophobicContact CZ-CB 3.93Å; D212-V343 PolarHBondContact O-N 3.24Å; D212-K345 HydrophobicContact CB-CD 3.86Å; D212-K345 VanDerWaalsContact CG-NZ 3.29Å; D212-K345 IonicContact OD1-NZ 2.73Å; D212-K345 WeakPolarHBondContact OD2-CD 3.02Å; D212-K345 WeakPolarHBondContact OD2-CE 3.38Å; D212-K345 IonicContact OD2-NZ 3.49Å; D212-K345 PolarHBondContact OD2-NZ 2.68Å
213	M	97.9	Very high	98.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161.1	-171.6	-59.9	-74.5	-167.7	0	0	109.6	D210 V211 L323 F340 T341 A342	D210-M213 HydrophobicContact CB-CE 4.34Å; D210-M213 HydrophobicContact CB-CG 4.26Å; V211-M213 PolarHBondContact O-N 3.09Å; M213-L323 HydrophobicContact CE-CD1 3.7Å; M213-L323 HydrophobicContact CE-CD2 3.83Å; M213-L323 HydrophobicContact CE-CG 3.78Å; M213-L323 HydrophobicContact SD-CG 4.5Å; M213-F340 HydrophobicContact CB-CD1 4.34Å; M213-F340 HydrophobicContact CB-CD2 4.04Å; M213-F340 HydrophobicContact CB-CE1 3.65Å; M213-F340 HydrophobicContact CB-CE2 3.28Å; M213-F340 HydrophobicContact CB-CZ 3.07Å; M213-F340 HydrophobicContact CG-CD1 4.4Å; M213-F340 HydrophobicContact CG-CE1 3.58Å; M213-F340 HydrophobicContact CG-CE2 4.18Å; M213-F340 HydrophobicContact CG-CZ 3.47Å; M213-F340 VanDerWaalsContact CG-CZ 3.47Å; M213-F340 HydrophobicContact SD-CE1 4.22Å; M213-T341 CarbonylContact C-O 3.52Å; M213-T341 VanDerWaalsContact CA-O 3.29Å; M213-T341 WeakPolarHBondContact CA-O 3.43Å; M213-A342 WeakPolarHBondContact SD-CA 3.44Å; M213-A342 HydrophobicContact SD-CB 3.99Å; M213-A342 PolarHBondContact SD-N 2.88Å
214	E	98.6	Very high	98.6	Very high	33 Å²	33	19.2 Å²	19.2	15%	0.154	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.1	172.3	65.6	176.3	159.4	0	0	110.9	L131 T135 R216 F340 T341 V343	L131-E214 HydrophobicContact CD2-CB 4.03Å; L131-E214 HydrophobicContact CG-CB 3.97Å; T135-E214 HydrophobicContact CG2-CB 4.3Å; E214-R216 HydrophobicContact CG-CG 4.14Å; E214-R216 IonicContact OE1-CZ 2.7Å; E214-R216 IonicContact OE1-NE 3.78Å; E214-R216 PolarHBondContact OE1-NE 3.09Å; E214-R216 IonicContact OE1-NH2 2.89Å; E214-R216 PolarHBondContact OE1-NH2 3.19Å; E214-F340 CarbonylContact O-C 3.54Å; E214-F340 WeakPolarHBondContact O-CA 3.38Å; E214-F340 WeakPolarHBondContact O-CD2 3.19Å; E214-T341 WeakPolarHBondContact CG-OG1 3.3Å; E214-T341 PolarHBondContact N-O 3.49Å; E214-T341 PolarHBondContact O-N 3.27Å; E214-V343 HydrophobicContact CB-CG2 4.09Å; E214-V343 HydrophobicContact CG-CG2 4.2Å
215	F	98.8	Very high	98.6	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.013	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.2	171.6	-60.7	-97.2	0	0	0	109.9	L117 F132 T135 A136 H139 F140 V219 R339 F340	L117-F215 HydrophobicContact CD2-CZ 4.39Å; F132-F215 HydrophobicContact CD2-CE2 4.21Å; F132-F215 AromaticContact CE2-CE2 3.81Å; F132-F215 HydrophobicContact CE2-CE2 3.81Å; F132-F215 HydrophobicContact CE2-CZ 4.35Å; F132-F215 HydrophobicContact CZ-CE2 4.02Å; F132-F215 HydrophobicContact CZ-CZ 4.45Å; T135-F215 VanDerWaalsContact CB-O 3.24Å; T135-F215 WeakPolarHBondContact CB-O 3.23Å; T135-F215 WeakPolarHBondContact CG2-O 3.26Å; T135-F215 PolarHBondContact OG1-N 2.55Å; A136-F215 HydrophobicContact CB-CD2 3.78Å; A136-F215 HydrophobicContact CB-CE2 3.66Å; A136-F215 HydrophobicContact CB-CZ 4.46Å; H139-F215 HydrophobicContact CB-CB 3.71Å; H139-F215 HydrophobicContact CB-CG 4.47Å; H139-F215 PolarHBondContact CD2-O 3.44Å; H139-F215 VanDerWaalsContact CD2-O 3.3Å; F140-F215 HydrophobicContact CB-CD1 4.45Å; F140-F215 HydrophobicContact CB-CE1 4.18Å; F140-F215 HydrophobicContact CB-CZ 4.36Å; F140-F215 AromaticContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CE1 3.96Å; F140-F215 HydrophobicContact CD2-CZ 4.22Å; F140-F215 HydrophobicContact CG-CE1 4.43Å; F140-F215 HydrophobicContact CG-CZ 4.48Å; F215-V219 HydrophobicContact CD1-CB 4.25Å; F215-V219 HydrophobicContact CD1-CG2 3.87Å; F215-V219 HydrophobicContact CE1-CB 4.27Å; F215-V219 HydrophobicContact CE1-CG1 4.45Å; F215-V219 HydrophobicContact CE1-CG2 4.15Å; F215-R339 CarbonylContact C-O 3.58Å; F215-R339 WeakPolarHBondContact CA-O 3.36Å; F215-F340 HydrophobicContact CD1-CB 4.33Å; F215-F340 AromaticContact CD1-CD2 3.64Å; F215-F340 HydrophobicContact CD1-CD2 3.64Å; F215-F340 HydrophobicContact CD1-CE2 4.3Å; F215-F340 HydrophobicContact CD1-CG 4.34Å; F215-F340 AromaticContact CD2-CD2 3.88Å; F215-F340 HydrophobicContact CD2-CD2 3.88Å; F215-F340 AromaticContact CD2-CE2 3.9Å; F215-F340 HydrophobicContact CD2-CE2 3.9Å; F215-F340 AromaticContact CE1-CD2 3.63Å; F215-F340 HydrophobicContact CE1-CD2 3.63Å; F215-F340 AromaticContact CE1-CE2 3.98Å; F215-F340 HydrophobicContact CE1-CE2 3.98Å; F215-F340 HydrophobicContact CE1-CG 4.26Å; F215-F340 AromaticContact CE2-CD2 3.87Å; F215-F340 HydrophobicContact CE2-CD2 3.87Å; F215-F340 AromaticContact CE2-CE2 3.54Å; F215-F340 HydrophobicContact CE2-CE2 3.54Å; F215-F340 AromaticContact CG-CD2 3.76Å; F215-F340 HydrophobicContact CG-CD2 3.76Å; F215-F340 HydrophobicContact CG-CE2 4.27Å; F215-F340 AromaticContact CZ-CD2 3.75Å; F215-F340 HydrophobicContact CZ-CD2 3.75Å; F215-F340 AromaticContact CZ-CE2 3.58Å; F215-F340 HydrophobicContact CZ-CE2 3.58Å; F215-F340 HydrophobicContact CZ-CZ 4.36Å
216	R	98.7	Very high	98.6	Very high	100 Å²	100	17.1 Å²	17.1	38%	0.377	9%	0.086	S	C	.	.			trans	-122.2	-18.4	-178.8	-67.4	-170.6	175.1	-179.3	6	113.8	E214 L338 R339 T341	E214-R216 HydrophobicContact CG-CG 4.14Å; E214-R216 IonicContact OE1-CZ 2.7Å; E214-R216 IonicContact OE1-NE 3.78Å; E214-R216 PolarHBondContact OE1-NE 3.09Å; E214-R216 IonicContact OE1-NH2 2.89Å; E214-R216 PolarHBondContact OE1-NH2 3.19Å; R216-L338 WeakPolarHBondContact CB-O 3.47Å; R216-R339 PolarHBondContact N-O 2.95Å; R216-T341 VanDerWaalsContact CD-OG1 3.3Å; R216-T341 WeakPolarHBondContact CD-OG1 3.46Å; R216-T341 PolarHBondContact NE-OG1 2.99Å; R216-T341 VanDerWaalsContact NE-OG1 3.07Å
217	D	98.8	Very high	98.6	Very high	45 Å²	45	17.3 Å²	17.3	24%	0.241	9%	0.086	C	C	.	.	S	Bend	trans	-151.1	173.3	177.1	-154.9	-31.4	0	0	0	109.1	H139 V219 K337 R339	H139-D217 WeakPolarHBondContact CB-O 3.42Å; D217-V219 PolarHBondContact O-N 3.24Å; D217-K337 VanDerWaalsContact CG-NZ 3.25Å; D217-K337 IonicContact OD1-NZ 2.76Å; D217-K337 PolarHBondContact OD1-NZ 3.05Å; D217-K337 WeakPolarHBondContact OD2-CD 3.4Å; D217-K337 WeakPolarHBondContact OD2-CE 3.42Å; D217-K337 WeakPolarHBondContact OD2-CG 3.32Å; D217-K337 IonicContact OD2-NZ 2.8Å; D217-K337 PolarHBondContact OD2-NZ 2.92Å; D217-R339 HydrophobicContact CB-CB 4.42Å; D217-R339 HydrophobicContact CB-CG 4.28Å; D217-R339 PolarHBondContact N-O 2.91Å
218	H	98.8	Very high	98.6	Very high	48 Å²	48	17.3 Å²	17.3	22%	0.222	9%	0.086	C	C	.	.			trans	-48.5	124.8	-177.4	176.6	82.7	0	0	0	113.6	I101 G220 E222 R339	I101-H218 WeakPolarHBondContact CD1-NE2 3.41Å; H218-G220 WeakPolarHBondContact NE2-CA 3.31Å; H218-G220 PolarHBondContact NE2-N 2.94Å; H218-E222 IonicContact CD2-OE1 2.86Å; H218-E222 PolarHBondContact CD2-OE1 3.38Å; H218-E222 IonicContact CD2-OE2 2.73Å; H218-E222 IonicContact CE1-OE2 3.39Å; H218-E222 IonicContact NE2-OE1 3.64Å; H218-E222 PolarHBondContact NE2-OE1 3.19Å; H218-E222 IonicContact NE2-OE2 3.48Å; H218-E222 PolarHBondContact NE2-OE2 2.99Å; H218-R339 WeakPolarHBondContact O-CD 3.32Å; H218-R339 PolarHBondContact O-NH1 3.17Å
219	V	98.9	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-128.2	101.8	165.4	178.4	0	0	0	0	107.3	H139 F140 M141 F215 D217 I223 F268 Y322 R339	H139-V219 PolarHBondContact O-N 3.49Å; F140-V219 WeakPolarHBondContact CA-O 3.26Å; F140-V219 HydrophobicContact CD2-CB 4.38Å; F140-V219 HydrophobicContact CD2-CG1 4Å; F140-V219 HydrophobicContact CE2-CG1 4.35Å; M141-V219 PolarHBondContact N-O 2.75Å; F215-V219 HydrophobicContact CD1-CB 4.25Å; F215-V219 HydrophobicContact CD1-CG2 3.87Å; F215-V219 HydrophobicContact CE1-CB 4.27Å; F215-V219 HydrophobicContact CE1-CG1 4.45Å; F215-V219 HydrophobicContact CE1-CG2 4.15Å; D217-V219 PolarHBondContact O-N 3.24Å; V219-I223 HydrophobicContact CG1-CD1 3.91Å; V219-I223 HydrophobicContact CG1-CG2 4.44Å; V219-F268 HydrophobicContact CG1-CZ 4.09Å; V219-Y322 HydrophobicContact CG1-CD1 4.17Å; V219-Y322 HydrophobicContact CG1-CE1 4.26Å; V219-Y322 HydrophobicContact CG2-CD1 4.15Å; V219-Y322 HydrophobicContact CG2-CE1 4.36Å; V219-R339 HydrophobicContact CG2-CB 3.68Å
220	G	98.8	Very high	98.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	9%	0.085	C	C	.	.			trans	-127.9	-158.1	-171	0	0	0	0	0	114.1	M141 H218 E222 I223	M141-G220 WeakPolarHBondContact CE-O 3.39Å; H218-G220 WeakPolarHBondContact NE2-CA 3.31Å; H218-G220 PolarHBondContact NE2-N 2.94Å; G220-E222 WeakPolarHBondContact CA-OE2 3.43Å; G220-E222 PolarHBondContact N-OE1 3.43Å; G220-E222 PolarHBondContact N-OE2 3.43Å; G220-E222 VanDerWaalsContact N-OE2 3.17Å; G220-E222 PolarHBondContact O-N 2.6Å; G220-I223 WeakPolarHBondContact O-CG1 3.45Å; G220-I223 PolarHBondContact O-N 3.19Å
221	V	98.8	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-64.9	-11.1	-173.6	-64.4	0	0	0	0	114	I101 L104 N105 F108 M141 H144 I223 L224	I101-V221 HydrophobicContact CD1-CG2 4.21Å; L104-V221 HydrophobicContact CB-CG2 3.82Å; N105-V221 WeakPolarHBondContact OD1-CG2 3.33Å; F108-V221 HydrophobicContact CB-CB 4.2Å; F108-V221 HydrophobicContact CB-CG1 3.93Å; F108-V221 HydrophobicContact CB-CG2 4.5Å; F108-V221 HydrophobicContact CD2-CB 3.64Å; F108-V221 HydrophobicContact CD2-CG1 4.31Å; F108-V221 HydrophobicContact CD2-CG2 3.88Å; F108-V221 HydrophobicContact CE2-CB 4.16Å; F108-V221 HydrophobicContact CG-CB 3.94Å; F108-V221 HydrophobicContact CG-CG1 4.11Å; F108-V221 HydrophobicContact CG-CG2 4.45Å; M141-V221 HydrophobicContact SD-CG1 4Å; H144-V221 VanDerWaalsContact CE1-CG1 3.44Å; H144-V221 WeakPolarHBondContact CE1-CG1 3.32Å; H144-V221 WeakPolarHBondContact NE2-CG1 3.11Å; V221-I223 PolarHBondContact O-N 3.13Å; V221-L224 HydrophobicContact CB-CD1 4.02Å; V221-L224 HydrophobicContact CB-CG 4.45Å; V221-L224 HydrophobicContact CG1-CD1 3.79Å; V221-L224 WeakPolarHBondContact O-CB 3.17Å; V221-L224 PolarHBondContact O-N 3.17Å
222	E	98.9	Very high	98.7	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.014	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-59.3	-25	172.6	74.8	-76.9	176.7	0	0	113.4	V94 F99 I101 L104 H218 G220 K316 Y322	V94-E222 HydrophobicContact CG1-CB 4.33Å; V94-E222 HydrophobicContact CG1-CG 3.76Å; F99-E222 HydrophobicContact CD1-CB 4.13Å; F99-E222 HydrophobicContact CD1-CG 4.16Å; F99-E222 HydrophobicContact CD2-CB 3.88Å; F99-E222 HydrophobicContact CD2-CG 4.26Å; F99-E222 HydrophobicContact CE1-CB 4.32Å; F99-E222 HydrophobicContact CE1-CG 3.86Å; F99-E222 HydrophobicContact CE2-CB 4.07Å; F99-E222 HydrophobicContact CE2-CG 3.95Å; F99-E222 HydrophobicContact CG-CB 3.92Å; F99-E222 HydrophobicContact CG-CG 4.36Å; F99-E222 HydrophobicContact CZ-CB 4.29Å; F99-E222 HydrophobicContact CZ-CG 3.75Å; I101-E222 WeakPolarHBondContact CD1-OE2 3.41Å; L104-E222 HydrophobicContact CD1-CB 3.62Å; H218-E222 IonicContact CD2-OE1 2.86Å; H218-E222 PolarHBondContact CD2-OE1 3.38Å; H218-E222 IonicContact CD2-OE2 2.73Å; H218-E222 IonicContact CE1-OE2 3.39Å; H218-E222 IonicContact NE2-OE1 3.64Å; H218-E222 PolarHBondContact NE2-OE1 3.19Å; H218-E222 IonicContact NE2-OE2 3.48Å; H218-E222 PolarHBondContact NE2-OE2 2.99Å; G220-E222 WeakPolarHBondContact CA-OE2 3.43Å; G220-E222 PolarHBondContact N-OE1 3.43Å; G220-E222 PolarHBondContact N-OE2 3.43Å; G220-E222 VanDerWaalsContact N-OE2 3.17Å; G220-E222 PolarHBondContact O-N 2.6Å; E222-K316 WeakPolarHBondContact O-CD 3.47Å; E222-K316 PolarHBondContact O-NZ 3.18Å; E222-Y322 WeakPolarHBondContact CG-OH 3.25Å; E222-Y322 WeakPolarHBondContact OE1-CE1 3.4Å; E222-Y322 PolarHBondContact OE1-OH 2.99Å
223	I	98.9	Very high	98.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-81	-21	177.5	81	-177.3	0	0	0	112.8	M141 V207 V219 G220 V221 T225 F228 F268 L318 Y322	M141-I223 HydrophobicContact CE-CD1 3.52Å; M141-I223 HydrophobicContact CE-CG1 3.64Å; V207-I223 HydrophobicContact CG2-CD1 3.98Å; V219-I223 HydrophobicContact CG1-CD1 3.91Å; V219-I223 HydrophobicContact CG1-CG2 4.44Å; G220-I223 WeakPolarHBondContact O-CG1 3.45Å; G220-I223 PolarHBondContact O-N 3.19Å; V221-I223 PolarHBondContact O-N 3.13Å; I223-T225 PolarHBondContact O-N 2.93Å; I223-F228 HydrophobicContact CD1-CZ 4.29Å; I223-F228 HydrophobicContact CG1-CE1 4.47Å; I223-F228 WeakPolarHBondContact O-CD1 3.44Å; I223-F268 HydrophobicContact CD1-CE1 4.1Å; I223-F268 HydrophobicContact CD1-CZ 4.03Å; I223-L318 HydrophobicContact CB-CD1 3.98Å; I223-L318 HydrophobicContact CB-CD2 3.78Å; I223-L318 HydrophobicContact CG2-CD1 3.9Å; I223-L318 HydrophobicContact CG2-CD2 3.79Å; I223-Y322 HydrophobicContact CG2-CD1 3.82Å; I223-Y322 HydrophobicContact CG2-CE1 3.35Å
224	L	98.9	Very high	98.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.098	C	C	.	.			trans	-72.4	131	-170.8	-59.4	-178.6	0	0	0	111.6	F108 T113 I115 M141 Y205 V221 K316	F108-L224 HydrophobicContact CD1-CD1 3.95Å; F108-L224 HydrophobicContact CE1-CB 3.79Å; F108-L224 HydrophobicContact CE1-CD1 3.95Å; F108-L224 HydrophobicContact CZ-CB 3.8Å; T113-L224 HydrophobicContact CG2-CD1 4.11Å; I115-L224 HydrophobicContact CD1-CD1 4.22Å; I115-L224 HydrophobicContact CG1-CD1 3.77Å; I115-L224 HydrophobicContact CG1-CD2 4.15Å; I115-L224 HydrophobicContact CG2-CD2 4.31Å; M141-L224 HydrophobicContact CE-CD1 4.47Å; M141-L224 HydrophobicContact CE-CD2 3.71Å; M141-L224 HydrophobicContact CE-CG 4.01Å; M141-L224 HydrophobicContact SD-CD1 4.45Å; Y205-L224 HydrophobicContact CD1-CB 4.32Å; Y205-L224 HydrophobicContact CD1-CD2 4.38Å; Y205-L224 HydrophobicContact CD2-CD1 4.14Å; Y205-L224 HydrophobicContact CD2-CD2 4.46Å; Y205-L224 HydrophobicContact CE1-CB 4.39Å; Y205-L224 HydrophobicContact CG-CB 4.41Å; Y205-L224 HydrophobicContact CG-CD1 4.48Å; Y205-L224 HydrophobicContact CG-CD2 3.98Å; V221-L224 HydrophobicContact CB-CD1 4.02Å; V221-L224 HydrophobicContact CB-CG 4.45Å; V221-L224 HydrophobicContact CG1-CD1 3.79Å; V221-L224 WeakPolarHBondContact O-CB 3.17Å; V221-L224 PolarHBondContact O-N 3.17Å; L224-K316 WeakPolarHBondContact O-CE 3.48Å; L224-K316 PolarHBondContact O-NZ 3.37Å
225	T	98.8	Very high	98.7	Very high	15 Å²	15	18 Å²	18	9%	0.092	10%	0.098	C	C	.	.	S	Bend	trans	-170.5	168.1	-176.2	-164	0	0	0	0	108.6	Y205 I223 L227 F228 G271 S272 T315 K316	Y205-T225 WeakPolarHBondContact CE1-O 3.36Å; I223-T225 PolarHBondContact O-N 2.93Å; T225-L227 VanDerWaalsContact C-N 3.32Å; T225-L227 VanDerWaalsContact CG2-O 3.26Å; T225-L227 WeakPolarHBondContact CG2-O 3.48Å; T225-L227 PolarHBondContact O-N 2.65Å; T225-F228 HydrophobicContact CG2-CB 3.74Å; T225-F228 HydrophobicContact CG2-CD1 4.14Å; T225-F228 HydrophobicContact CG2-CG 4.43Å; T225-G271 CarbonylContact O-C 3.57Å; T225-G271 VanDerWaalsContact O-CA 3.3Å; T225-G271 WeakPolarHBondContact O-CA 3.43Å; T225-S272 PolarHBondContact O-N 3.02Å; T225-T315 WeakPolarHBondContact CB-OG1 3.5Å; T225-T315 VanDerWaalsContact CG2-OG1 3.25Å; T225-T315 WeakPolarHBondContact CG2-OG1 3.29Å; T225-T315 WeakPolarHBondContact OG1-CB 3.23Å; T225-T315 PolarHBondContact OG1-OG1 3.17Å; T225-K316 HydrophobicContact CG2-CB 3.7Å; T225-K316 HydrophobicContact CG2-CD 3.99Å; T225-K316 HydrophobicContact CG2-CG 3.65Å
226	P	98.8	Very high	98.5	Very high	62 Å²	62	21.9 Å²	21.9	40%	0.403	11%	0.113	S	C	.	.	S	Bend	trans	-53.5	-45	177	-31.7	38.1	0	0	0	113.9	G271 S272 E275 T315	P226-G271 CarbonylContact O-C 3.58Å; P226-G271 WeakPolarHBondContact O-CA 3.49Å; P226-S272 PolarHBondContact O-N 3.17Å; P226-E275 HydrophobicContact CB-CG 4.14Å; P226-E275 WeakPolarHBondContact O-CB 3.41Å; P226-E275 VanDerWaalsContact O-CG 3.25Å; P226-E275 WeakPolarHBondContact O-CG 3.46Å; P226-T315 HydrophobicContact CB-CG2 4.28Å; P226-T315 WeakPolarHBondContact CD-OG1 3.36Å; P226-T315 HydrophobicContact CG-CG2 4.46Å
227	L	98.9	Very high	98.4	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.4	176.9	179.2	63.9	0	0	0	110.8	T225 E275 L279 Y308 L309 P314 T315 K316	T225-L227 VanDerWaalsContact C-N 3.32Å; T225-L227 VanDerWaalsContact CG2-O 3.26Å; T225-L227 WeakPolarHBondContact CG2-O 3.48Å; T225-L227 PolarHBondContact O-N 2.65Å; L227-E275 HydrophobicContact CB-CB 4.26Å; L227-E275 HydrophobicContact CB-CG 4.43Å; L227-L279 HydrophobicContact CD1-CD1 3.71Å; L227-Y308 HydrophobicContact CD2-CE1 4.04Å; L227-L309 HydrophobicContact CD1-CD2 4.32Å; L227-L309 HydrophobicContact CD2-CD2 3.87Å; L227-L309 HydrophobicContact CG-CD2 4.13Å; L227-P314 HydrophobicContact CG-CB 4.38Å; L227-P314 CarbonylContact O-C 3.55Å; L227-T315 PolarHBondContact N-OG1 3.25Å; L227-T315 PolarHBondContact O-N 3.03Å; L227-T315 PolarHBondContact O-OG1 3.33Å; L227-K316 PolarHBondContact O-N 2.75Å
228	F	98.9	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	151.2	171.4	71.7	-95.1	0	0	0	113	V207 I223 T225 F268 F269 G270 K316 L318	V207-F228 HydrophobicContact CG1-CZ 4.37Å; V207-F228 HydrophobicContact CG2-CE1 4.43Å; V207-F228 HydrophobicContact CG2-CZ 4.19Å; I223-F228 HydrophobicContact CD1-CZ 4.29Å; I223-F228 HydrophobicContact CG1-CE1 4.47Å; I223-F228 WeakPolarHBondContact O-CD1 3.44Å; T225-F228 HydrophobicContact CG2-CB 3.74Å; T225-F228 HydrophobicContact CG2-CD1 4.14Å; T225-F228 HydrophobicContact CG2-CG 4.43Å; F228-F268 AromaticContact CE2-CD1 3.68Å; F228-F268 HydrophobicContact CE2-CD1 3.68Å; F228-F268 AromaticContact CE2-CE1 3.62Å; F228-F268 HydrophobicContact CE2-CE1 3.62Å; F228-F268 HydrophobicContact CZ-CD1 4.23Å; F228-F268 AromaticContact CZ-CE1 3.86Å; F228-F268 HydrophobicContact CZ-CE1 3.86Å; F228-F269 VanDerWaalsContact CZ-C 3.49Å; F228-G270 WeakPolarHBondContact CD1-O 3.42Å; F228-G270 VanDerWaalsContact CZ-CA 3.4Å; F228-G270 VanDerWaalsContact CZ-N 3.33Å; F228-G270 PolarHBondContact N-O 2.91Å; F228-G270 PolarHBondContact O-N 3.49Å; F228-K316 VanDerWaalsContact CA-O 3.23Å; F228-K316 WeakPolarHBondContact CA-O 3.43Å; F228-K316 HydrophobicContact CB-CB 4.28Å; F228-K316 VanDerWaalsContact CB-O 3.28Å; F228-K316 WeakPolarHBondContact CB-O 3.29Å; F228-L318 HydrophobicContact CD2-CD1 3.66Å; F228-L318 HydrophobicContact CD2-CG 3.83Å; F228-L318 HydrophobicContact CE2-CD1 3.63Å; F228-L318 HydrophobicContact CE2-CG 4.33Å
229	G	98.8	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.8	166.1	0	0	0	0	0	110.4	V317 L318	G229-V317 CarbonylContact O-C 3.44Å; G229-V317 WeakPolarHBondContact O-CA 3.39Å; G229-L318 PolarHBondContact O-N 2.96Å
230	T	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.3	-177.4	-53.7	0	0	0	0	110.4	H232 Y264 L265 F268 L318 L323	T230-H232 PolarHBondContact O-N 3.45Å; T230-Y264 CarbonylContact O-C 3.45Å; T230-Y264 VanDerWaalsContact O-CA 3.23Å; T230-Y264 WeakPolarHBondContact O-CA 3.45Å; T230-L265 PolarHBondContact O-N 2.9Å; T230-F268 VanDerWaalsContact CB-O 3.26Å; T230-F268 WeakPolarHBondContact CB-O 3.34Å; T230-F268 HydrophobicContact CG2-CB 4.47Å; T230-F268 PolarHBondContact N-O 2.88Å; T230-F268 PolarHBondContact OG1-O 3.03Å; T230-L318 HydrophobicContact CG2-CB 3.97Å; T230-L323 HydrophobicContact CG2-CB 4.12Å
231	L	98.8	Very high	98.1	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	127.7	174.7	-65.3	-178.7	0	0	0	110.3	I93 F262 V317 L318 P320	I93-L231 HydrophobicContact CG2-CD1 4.23Å; L231-F262 HydrophobicContact CD2-CB 3.45Å; L231-F262 VanDerWaalsContact CD2-CB 3.45Å; L231-F262 HydrophobicContact CD2-CD1 3.47Å; L231-F262 VanDerWaalsContact CD2-CD1 3.47Å; L231-F262 HydrophobicContact CD2-CD2 4.29Å; L231-F262 HydrophobicContact CD2-CE1 4.27Å; L231-F262 HydrophobicContact CD2-CG 3.48Å; L231-F262 VanDerWaalsContact CD2-CG 3.48Å; L231-V317 HydrophobicContact CD1-CG1 4.35Å; L231-V317 HydrophobicContact CD2-CG1 3.71Å; L231-V317 HydrophobicContact CG-CG1 3.67Å; L231-L318 WeakPolarHBondContact CG-O 3.11Å; L231-L318 PolarHBondContact N-O 3.32Å; L231-P320 HydrophobicContact CB-CG 4.1Å
232	H	98.6	Very high	98	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.069	21%	0.206	C	C	.	.			trans	-68.5	132.2	177.9	-173.4	-67.9	0	0	0	110.8	T230 G234 F235 Y236 Y263 L265 E302 F373	T230-H232 PolarHBondContact O-N 3.45Å; H232-G234 VanDerWaalsContact C-N 3.26Å; H232-G234 PolarHBondContact ND1-N 3.28Å; H232-G234 PolarHBondContact O-N 2.86Å; H232-F235 HydrophobicContact CB-CD2 4.3Å; H232-F235 AromaticContact CG-CD2 3.89Å; H232-F235 AromaticContact ND1-CD2 3.49Å; H232-F235 WeakPolarHBondContact ND1-CD2 3.39Å; H232-F235 PolarHBondContact O-N 3.23Å; H232-Y236 PolarHBondContact O-N 3.22Å; H232-Y263 HydrophobicContact CB-CD1 3.59Å; H232-Y263 HydrophobicContact CB-CE1 4.25Å; H232-Y263 WeakPolarHBondContact CB-O 3.31Å; H232-Y263 AromaticContact CD2-CE1 3.81Å; H232-Y263 AromaticContact CG-CD1 3.83Å; H232-Y263 PolarHBondContact N-O 2.82Å; H232-L265 HydrophobicContact CB-CB 4.17Å; H232-L265 HydrophobicContact CB-CD1 4.19Å; H232-L265 HydrophobicContact CB-CG 4.49Å; H232-E302 IonicContact CD2-OE2 3.18Å; H232-F373 AromaticContact CE1-CD2 3.72Å; H232-F373 AromaticContact NE2-CD2 3.79Å
233	P	97.9	Very high	98	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.013	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.4	-170.9	31.2	-37.3	0	0	0	113	F235 Y236 L265 P320 L323 W324 L329 F373	P233-F235 VanDerWaalsContact C-N 3.34Å; P233-Y236 WeakPolarHBondContact O-CD1 3.39Å; P233-Y236 VanDerWaalsContact O-CE1 3.23Å; P233-Y236 WeakPolarHBondContact O-CE1 3.29Å; P233-L265 HydrophobicContact CG-CD1 4.31Å; P233-P320 HydrophobicContact CB-CB 4.28Å; P233-L323 HydrophobicContact CG-CD2 4.1Å; P233-W324 HydrophobicContact CB-CD2 4.2Å; P233-W324 HydrophobicContact CB-CE3 3.28Å; P233-W324 HydrophobicContact CB-CH2 4.38Å; P233-W324 HydrophobicContact CB-CZ3 3.39Å; P233-L329 HydrophobicContact CB-CD1 3.59Å; P233-L329 HydrophobicContact CG-CD1 4.08Å; P233-F373 HydrophobicContact CG-CE2 4.19Å; P233-F373 HydrophobicContact CG-CZ 4.13Å
234	G	97.3	Very high	98	Very high	37 Å²	37	36.4 Å²	36.4	38%	0.381	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.4	171.7	0	0	0	0	0	116.3	H232	H232-G234 VanDerWaalsContact C-N 3.26Å; H232-G234 PolarHBondContact ND1-N 3.28Å; H232-G234 PolarHBondContact O-N 2.86Å
235	F	97.8	Very high	98	Very high	36 Å²	36	36.6 Å²	36.6	16%	0.158	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-4.6	-168.6	-67.9	-75.3	0	0	0	115.6	H232 P233 G237 S238 F243 T244 Y263	H232-F235 HydrophobicContact CB-CD2 4.3Å; H232-F235 AromaticContact CG-CD2 3.89Å; H232-F235 AromaticContact ND1-CD2 3.49Å; H232-F235 WeakPolarHBondContact ND1-CD2 3.39Å; H232-F235 PolarHBondContact O-N 3.23Å; P233-F235 VanDerWaalsContact C-N 3.34Å; F235-G237 PolarHBondContact O-N 2.83Å; F235-S238 WeakPolarHBondContact O-CB 3.39Å; F235-S238 PolarHBondContact O-N 3.1Å; F235-F243 HydrophobicContact CB-CD1 4.02Å; F235-F243 HydrophobicContact CB-CE1 3.99Å; F235-F243 HydrophobicContact CD1-CD1 4.01Å; F235-F243 HydrophobicContact CG-CD1 4.28Å; F235-F243 WeakPolarHBondContact O-CE1 3.28Å; F235-T244 HydrophobicContact CE1-CG2 4.12Å; F235-T244 HydrophobicContact CZ-CG2 3.64Å; F235-T244 WeakPolarHBondContact CZ-OG1 3.37Å; F235-Y263 HydrophobicContact CB-CD1 4.25Å; F235-Y263 HydrophobicContact CB-CG 4.27Å; F235-Y263 AromaticContact CD2-CD1 3.38Å; F235-Y263 HydrophobicContact CD2-CD1 3.38Å; F235-Y263 AromaticContact CD2-CE1 3.76Å; F235-Y263 HydrophobicContact CD2-CE1 3.76Å; F235-Y263 AromaticContact CD2-CG 3.97Å; F235-Y263 HydrophobicContact CD2-CG 3.97Å; F235-Y263 AromaticContact CE2-CD1 3.95Å; F235-Y263 HydrophobicContact CE2-CD1 3.95Å; F235-Y263 AromaticContact CE2-CE1 3.86Å; F235-Y263 HydrophobicContact CE2-CE1 3.86Å; F235-Y263 HydrophobicContact CG-CD1 4.01Å; F235-Y263 HydrophobicContact CG-CG 4.18Å
236	Y	96.5	Very high	98	Very high	84 Å²	84	36.1 Å²	36.1	33%	0.329	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.1	-174.9	72.3	-84	0	0	0	115.1	H232 P233 P320 W324 V334	H232-Y236 PolarHBondContact O-N 3.22Å; P233-Y236 WeakPolarHBondContact O-CD1 3.39Å; P233-Y236 VanDerWaalsContact O-CE1 3.23Å; P233-Y236 WeakPolarHBondContact O-CE1 3.29Å; Y236-P320 HydrophobicContact CD1-CB 4.37Å; Y236-P320 HydrophobicContact CD1-CG 3.69Å; Y236-P320 HydrophobicContact CD2-CG 4.15Å; Y236-P320 HydrophobicContact CE1-CG 4.4Å; Y236-P320 HydrophobicContact CG-CG 3.54Å; Y236-W324 HydrophobicContact CD1-CZ3 4.27Å; Y236-W324 AromaticContact CE1-CH2 3.74Å; Y236-W324 HydrophobicContact CE1-CH2 3.74Å; Y236-W324 AromaticContact CE1-CZ3 3.69Å; Y236-W324 HydrophobicContact CE1-CZ3 3.69Å; Y236-V334 HydrophobicContact CE2-CG1 4.17Å
237	G	95.6	Very high	98	Very high	72 Å²	72	35.9 Å²	35.9	74%	0.742	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	6.5	173.5	0	0	0	0	0	114.6	F235	F235-G237 PolarHBondContact O-N 2.83Å
238	S	97.1	Very high	98	Very high	50 Å²	50	40.6 Å²	40.6	35%	0.35	23%	0.227	S	C	.	.	S	Bend	trans	-89.3	155	-177.9	-55.3	0	0	0	0	112.1	F235 F243	F235-S238 WeakPolarHBondContact O-CB 3.39Å; F235-S238 PolarHBondContact O-N 3.1Å; S238-F243 WeakPolarHBondContact O-CE1 3.23Å
239	S	97.9	Very high	98	Very high	55 Å²	55	44.6 Å²	44.6	39%	0.385	25%	0.253	S	S	.	.			trans	-77	155.6	170.5	60.7	0	0	0	0	111.8	E241 A242 F243	S239-E241 VanDerWaalsContact CB-CD 3.42Å; S239-E241 WeakPolarHBondContact CB-OE1 3.12Å; S239-E241 WeakPolarHBondContact CB-OE2 3.43Å; S239-E241 PolarHBondContact O-N 2.76Å; S239-E241 PolarHBondContact OG-OE1 2.83Å; S239-E241 PolarHBondContact OG-OE2 3.2Å; S239-A242 WeakPolarHBondContact O-CB 3.23Å; S239-A242 PolarHBondContact O-N 2.73Å; S239-F243 PolarHBondContact O-N 2.95Å
240	R	97.6	Very high	98	Very high	122 Å²	122	50.6 Å²	50.6	46%	0.46	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.3	-170.8	71.7	172.5	70.1	87.5	-2	114.1	A242 F243 R247 D258 G260	R240-A242 VanDerWaalsContact C-N 3.26Å; R240-A242 PolarHBondContact O-N 2.63Å; R240-F243 VanDerWaalsContact CA-CD2 3.49Å; R240-F243 HydrophobicContact CB-CD2 4Å; R240-F243 HydrophobicContact CB-CE2 4Å; R240-F243 WeakPolarHBondContact O-CB 3.32Å; R240-F243 PolarHBondContact O-N 2.78Å; R240-R247 PolarHBondContact O-NH2 3.32Å; R240-D258 WeakPolarHBondContact CD-O 3.5Å; R240-G260 PolarHBondContact NE-O 3.49Å
241	E	96.3	Very high	98	Very high	96 Å²	96	50.8 Å²	50.8	45%	0.449	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-25.2	177.5	64.5	-82	-173.7	0	0	112.2	S239 K257	S239-E241 VanDerWaalsContact CB-CD 3.42Å; S239-E241 WeakPolarHBondContact CB-OE1 3.12Å; S239-E241 WeakPolarHBondContact CB-OE2 3.43Å; S239-E241 PolarHBondContact O-N 2.76Å; S239-E241 PolarHBondContact OG-OE1 2.83Å; S239-E241 PolarHBondContact OG-OE2 3.2Å; E241-K257 HydrophobicContact CB-CD 4.16Å; E241-K257 PolarHBondContact O-NZ 3.42Å
242	A	97.8	Very high	98	Very high	51 Å²	51	54.5 Å²	54.5	42%	0.421	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.6	175.9	0	0	0	0	0	112.9	S239 R240 T244	S239-A242 WeakPolarHBondContact O-CB 3.23Å; S239-A242 PolarHBondContact O-N 2.73Å; R240-A242 VanDerWaalsContact C-N 3.26Å; R240-A242 PolarHBondContact O-N 2.63Å; A242-T244 PolarHBondContact O-N 3.38Å
243	F	98.6	Very high	98	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.053	30%	0.296	C	S	.	.	S	Bend	trans	-58.6	135	173.8	-65.9	-16.9	0	0	0	111.1	F235 S238 S239 R240 Y245 R247 Y263	F235-F243 HydrophobicContact CB-CD1 4.02Å; F235-F243 HydrophobicContact CB-CE1 3.99Å; F235-F243 HydrophobicContact CD1-CD1 4.01Å; F235-F243 HydrophobicContact CG-CD1 4.28Å; F235-F243 WeakPolarHBondContact O-CE1 3.28Å; S238-F243 WeakPolarHBondContact O-CE1 3.23Å; S239-F243 PolarHBondContact O-N 2.95Å; R240-F243 VanDerWaalsContact CA-CD2 3.49Å; R240-F243 HydrophobicContact CB-CD2 4Å; R240-F243 HydrophobicContact CB-CE2 4Å; R240-F243 WeakPolarHBondContact O-CB 3.32Å; R240-F243 PolarHBondContact O-N 2.78Å; F243-Y245 HydrophobicContact CB-CD1 4.47Å; F243-Y245 HydrophobicContact CB-CD2 4.03Å; F243-Y245 HydrophobicContact CB-CE1 4.34Å; F243-Y245 HydrophobicContact CB-CE2 3.88Å; F243-Y245 HydrophobicContact CB-CG 4.32Å; F243-Y245 HydrophobicContact CD2-CE1 4.38Å; F243-Y245 AromaticContact CD2-CE2 3.64Å; F243-Y245 HydrophobicContact CD2-CE2 3.64Å; F243-Y245 AromaticContact CD2-CZ 3.52Å; F243-Y245 VanDerWaalsContact CD2-OH 3.28Å; F243-Y245 WeakPolarHBondContact CD2-OH 3.16Å; F243-Y245 HydrophobicContact CG-CE2 4.27Å; F243-Y245 PolarHBondContact O-N 3.17Å; F243-R247 PolarHBondContact O-NH2 2.89Å; F243-Y263 HydrophobicContact CB-CD2 3.8Å; F243-Y263 HydrophobicContact CB-CG 4.42Å; F243-Y263 HydrophobicContact CD1-CG 4.48Å; F243-Y263 HydrophobicContact CG-CD2 4.21Å; F243-Y263 HydrophobicContact CG-CG 4.4Å
244	T	98.4	Very high	98	Very high	43 Å²	43	57.2 Å²	57.2	26%	0.264	31%	0.309	S	S	.	.			trans	-84.2	37.4	-176.5	51.7	0	0	0	0	112.8	F235 A242 Y263 W299	F235-T244 HydrophobicContact CE1-CG2 4.12Å; F235-T244 HydrophobicContact CZ-CG2 3.64Å; F235-T244 WeakPolarHBondContact CZ-OG1 3.37Å; A242-T244 PolarHBondContact O-N 3.38Å; T244-Y263 VanDerWaalsContact OG1-CZ 3.26Å; T244-Y263 PolarHBondContact OG1-OH 2.8Å; T244-Y263 VanDerWaalsContact OG1-OH 3.13Å; T244-W299 VanDerWaalsContact CB-NE1 3.27Å; T244-W299 PolarHBondContact OG1-NE1 3.3Å
245	Y	98.8	Very high	98.1	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.027	29%	0.291	C	S	.	.			trans	-56.9	158.7	171.5	-56.6	-44.8	0	0	0	111.4	F243 R247 I255 F262 Y263 N306	F243-Y245 HydrophobicContact CB-CD1 4.47Å; F243-Y245 HydrophobicContact CB-CD2 4.03Å; F243-Y245 HydrophobicContact CB-CE1 4.34Å; F243-Y245 HydrophobicContact CB-CE2 3.88Å; F243-Y245 HydrophobicContact CB-CG 4.32Å; F243-Y245 HydrophobicContact CD2-CE1 4.38Å; F243-Y245 AromaticContact CD2-CE2 3.64Å; F243-Y245 HydrophobicContact CD2-CE2 3.64Å; F243-Y245 AromaticContact CD2-CZ 3.52Å; F243-Y245 VanDerWaalsContact CD2-OH 3.28Å; F243-Y245 WeakPolarHBondContact CD2-OH 3.16Å; F243-Y245 HydrophobicContact CG-CE2 4.27Å; F243-Y245 PolarHBondContact O-N 3.17Å; Y245-R247 WeakPolarHBondContact O-CD 3.43Å; Y245-R247 VanDerWaalsContact O-CG 3.3Å; Y245-R247 WeakPolarHBondContact O-CG 3.43Å; Y245-R247 PolarHBondContact O-N 2.89Å; Y245-R247 PolarHBondContact O-NE 2.89Å; Y245-I255 HydrophobicContact CD1-CD1 3.75Å; Y245-I255 HydrophobicContact CD2-CB 3.81Å; Y245-I255 HydrophobicContact CD2-CD1 3.9Å; Y245-I255 HydrophobicContact CD2-CG1 4.44Å; Y245-I255 HydrophobicContact CD2-CG2 3.61Å; Y245-I255 HydrophobicContact CE1-CD1 4.02Å; Y245-I255 HydrophobicContact CE2-CD1 4.16Å; Y245-I255 HydrophobicContact CE2-CG2 3.92Å; Y245-I255 HydrophobicContact CG-CB 4.05Å; Y245-I255 HydrophobicContact CG-CD1 3.69Å; Y245-I255 HydrophobicContact CG-CG1 4.38Å; Y245-I255 HydrophobicContact CG-CG2 4.34Å; Y245-F262 PolarHBondContact OH-O 3.29Å; Y245-Y263 AromaticContact CD1-CD2 3.51Å; Y245-Y263 HydrophobicContact CD1-CD2 3.51Å; Y245-Y263 AromaticContact CD1-CE2 3.64Å; Y245-Y263 HydrophobicContact CD1-CE2 3.64Å; Y245-Y263 AromaticContact CE1-CD2 3.37Å; Y245-Y263 HydrophobicContact CE1-CD2 3.37Å; Y245-Y263 AromaticContact CE1-CE2 3.98Å; Y245-Y263 HydrophobicContact CE1-CE2 3.98Å; Y245-Y263 HydrophobicContact CE1-CG 4.31Å; Y245-Y263 HydrophobicContact CG-CD2 4.46Å; Y245-N306 HydrophobicContact CD1-CB 3.83Å; Y245-N306 HydrophobicContact CE1-CB 3.69Å; Y245-N306 WeakPolarHBondContact CE1-OD1 3.18Å
246	E	98.8	Very high	98.1	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.019	29%	0.29	C	S	.	.			trans	-60.7	124.8	167	179.4	54.3	-106	0	0	110	R248 A253 Y254 I255 A297 V298	E246-R248 WeakPolarHBondContact OE1-CB 3.13Å; E246-R248 VanDerWaalsContact OE1-CG 3.32Å; E246-R248 WeakPolarHBondContact OE1-CG 3.49Å; E246-R248 IonicContact OE1-CZ 2.93Å; E246-R248 PolarHBondContact OE1-N 3.01Å; E246-R248 IonicContact OE1-NE 3.64Å; E246-R248 PolarHBondContact OE1-NE 3.11Å; E246-R248 IonicContact OE1-NH2 3.92Å; E246-R248 IonicContact OE2-CZ 3.93Å; E246-R248 IonicContact OE2-NE 2.7Å; E246-R248 PolarHBondContact OE2-NE 3.45Å; E246-R248 IonicContact OE2-NH2 3.71Å; E246-R248 PolarHBondContact OE2-NH2 2.83Å; E246-A253 HydrophobicContact CB-CB 3.84Å; E246-A253 HydrophobicContact CG-CB 4.22Å; E246-Y254 WeakPolarHBondContact O-CA 3.43Å; E246-I255 PolarHBondContact O-N 3.19Å; E246-A297 WeakPolarHBondContact OE2-CA 3.3Å; E246-V298 HydrophobicContact CB-CG1 4.29Å; E246-V298 PolarHBondContact OE2-N 2.81Å
247	R	98.6	Very high	98.2	Very high	58 Å²	58	56.6 Å²	56.6	22%	0.219	30%	0.3	C	S	.	.			trans	-112.3	-3.9	-175	-55.8	-49.3	-175.8	160.9	2.9	113.1	R240 F243 Y245 P249 Y254 I255 P256	R240-R247 PolarHBondContact O-NH2 3.32Å; F243-R247 PolarHBondContact O-NH2 2.89Å; Y245-R247 WeakPolarHBondContact O-CD 3.43Å; Y245-R247 VanDerWaalsContact O-CG 3.3Å; Y245-R247 WeakPolarHBondContact O-CG 3.43Å; Y245-R247 PolarHBondContact O-N 2.89Å; Y245-R247 PolarHBondContact O-NE 2.89Å; R247-P249 WeakPolarHBondContact O-CD 3.36Å; R247-Y254 VanDerWaalsContact C-CD2 3.47Å; R247-Y254 WeakPolarHBondContact O-CD2 3.48Å; R247-Y254 WeakPolarHBondContact O-CE2 3.44Å; R247-I255 WeakPolarHBondContact CD-O 3.42Å; R247-I255 PolarHBondContact NH1-O 2.84Å; R247-P256 VanDerWaalsContact NH1-C 3.28Å; R247-P256 PolarHBondContact NH1-O 2.91Å
248	R	98.8	Very high	98.3	Very high	101 Å²	101	59.2 Å²	59.2	38%	0.381	30%	0.297	S	S	.	.			trans	-81.4	114.5	173.8	-65.6	172.6	-68.2	171.6	1.5	109.2	E246 Q250 S251 I295 E296	E246-R248 WeakPolarHBondContact OE1-CB 3.13Å; E246-R248 VanDerWaalsContact OE1-CG 3.32Å; E246-R248 WeakPolarHBondContact OE1-CG 3.49Å; E246-R248 IonicContact OE1-CZ 2.93Å; E246-R248 PolarHBondContact OE1-N 3.01Å; E246-R248 IonicContact OE1-NE 3.64Å; E246-R248 PolarHBondContact OE1-NE 3.11Å; E246-R248 IonicContact OE1-NH2 3.92Å; E246-R248 IonicContact OE2-CZ 3.93Å; E246-R248 IonicContact OE2-NE 2.7Å; E246-R248 PolarHBondContact OE2-NE 3.45Å; E246-R248 IonicContact OE2-NH2 3.71Å; E246-R248 PolarHBondContact OE2-NH2 2.83Å; R248-Q250 PolarHBondContact O-N 2.74Å; R248-S251 PolarHBondContact O-N 2.84Å; R248-S251 VanDerWaalsContact O-N 3.09Å; R248-I295 HydrophobicContact CB-CD1 4.14Å; R248-E296 PolarHBondContact NH2-O 3.06Å
249	P	98.6	Very high	98.4	Very high	85 Å²	85	59.5 Å²	59.5	55%	0.552	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.7	-178	-24	35.2	0	0	0	114.8	R247 S251 Y254	R247-P249 WeakPolarHBondContact O-CD 3.36Å; P249-S251 VanDerWaalsContact C-N 3.28Å; P249-S251 PolarHBondContact O-N 2.83Å; P249-Y254 HydrophobicContact CB-CD1 4.27Å; P249-Y254 HydrophobicContact CB-CE1 4.29Å; P249-Y254 HydrophobicContact CB-CG 4.39Å; P249-Y254 HydrophobicContact CG-CD2 4.34Å; P249-Y254 HydrophobicContact CG-CE1 4.35Å; P249-Y254 HydrophobicContact CG-CE2 4.01Å
250	Q	98.7	Very high	98.4	Very high	126 Å²	126	57.2 Å²	57.2	59%	0.589	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.9	177.5	-59	79.1	10	0	0	112.8	R248 I295	R248-Q250 PolarHBondContact O-N 2.74Å; Q250-I295 HydrophobicContact CB-CD1 4.08Å
251	S	98.9	Very high	98.4	Very high	3 Å²	3	54 Å²	54	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-87	141.8	178.9	168	0	0	0	0	111.5	R248 P249 A253 Y254 D290	R248-S251 PolarHBondContact O-N 2.84Å; R248-S251 VanDerWaalsContact O-N 3.09Å; P249-S251 VanDerWaalsContact C-N 3.28Å; P249-S251 PolarHBondContact O-N 2.83Å; S251-A253 PolarHBondContact O-N 3.42Å; S251-A253 WeakPolarHBondContact OG-CB 3.21Å; S251-A253 PolarHBondContact OG-N 2.72Å; S251-Y254 VanDerWaalsContact O-CB 3.23Å; S251-Y254 WeakPolarHBondContact O-CB 3.39Å; S251-Y254 PolarHBondContact O-N 2.93Å; S251-D290 WeakPolarHBondContact CA-OD1 3.42Å; S251-D290 WeakPolarHBondContact CB-OD2 3.24Å; S251-D290 PolarHBondContact OG-OD2 3.45Å
252	Q	98.8	Very high	98.5	Very high	86 Å²	86	51.2 Å²	51.2	40%	0.402	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.2	170.2	-64.9	-54.8	-60.5	0	0	112.5	Y254 A286 V289 D290 K307	Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 PolarHBondContact O-N 2.76Å; Q252-A286 HydrophobicContact CB-CB 3.81Å; Q252-A286 HydrophobicContact CG-CB 4.35Å; Q252-V289 HydrophobicContact CG-CB 3.79Å; Q252-V289 HydrophobicContact CG-CG1 3.58Å; Q252-D290 WeakPolarHBondContact CG-OD1 3.44Å; Q252-D290 PolarHBondContact N-OD1 3.09Å; Q252-K307 PolarHBondContact O-NZ 3.44Å
253	A	98.8	Very high	98.6	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.2	177.2	0	0	0	0	0	114.1	E246 S251 I255 A297	E246-A253 HydrophobicContact CB-CB 3.84Å; E246-A253 HydrophobicContact CG-CB 4.22Å; S251-A253 PolarHBondContact O-N 3.42Å; S251-A253 WeakPolarHBondContact OG-CB 3.21Å; S251-A253 PolarHBondContact OG-N 2.72Å; A253-I255 PolarHBondContact O-N 3.23Å; A253-A297 HydrophobicContact CB-CB 3.95Å
254	Y	98.9	Very high	98.6	Very high	74 Å²	74	48.5 Å²	48.5	29%	0.29	24%	0.235	S	C	.	.			trans	-54.8	131.7	-176.9	175	-117.7	0	0	0	113.3	E246 R247 P249 S251 Q252 P256 K307	E246-Y254 WeakPolarHBondContact O-CA 3.43Å; R247-Y254 VanDerWaalsContact C-CD2 3.47Å; R247-Y254 WeakPolarHBondContact O-CD2 3.48Å; R247-Y254 WeakPolarHBondContact O-CE2 3.44Å; P249-Y254 HydrophobicContact CB-CD1 4.27Å; P249-Y254 HydrophobicContact CB-CE1 4.29Å; P249-Y254 HydrophobicContact CB-CG 4.39Å; P249-Y254 HydrophobicContact CG-CD2 4.34Å; P249-Y254 HydrophobicContact CG-CE1 4.35Å; P249-Y254 HydrophobicContact CG-CE2 4.01Å; S251-Y254 VanDerWaalsContact O-CB 3.23Å; S251-Y254 WeakPolarHBondContact O-CB 3.39Å; S251-Y254 PolarHBondContact O-N 2.93Å; Q252-Y254 VanDerWaalsContact C-N 3.26Å; Q252-Y254 PolarHBondContact O-N 2.76Å; Y254-P256 HydrophobicContact CE1-CG 3.69Å; Y254-K307 PolarHBondContact O-NZ 3.06Å
255	I	98.9	Very high	98.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.223	C	C	.	.			trans	-130.1	123.3	170.1	-59.6	173.8	0	0	0	109	Y245 E246 R247 A253 E259 N306 K307 L310	Y245-I255 HydrophobicContact CD1-CD1 3.75Å; Y245-I255 HydrophobicContact CD2-CB 3.81Å; Y245-I255 HydrophobicContact CD2-CD1 3.9Å; Y245-I255 HydrophobicContact CD2-CG1 4.44Å; Y245-I255 HydrophobicContact CD2-CG2 3.61Å; Y245-I255 HydrophobicContact CE1-CD1 4.02Å; Y245-I255 HydrophobicContact CE2-CD1 4.16Å; Y245-I255 HydrophobicContact CE2-CG2 3.92Å; Y245-I255 HydrophobicContact CG-CB 4.05Å; Y245-I255 HydrophobicContact CG-CD1 3.69Å; Y245-I255 HydrophobicContact CG-CG1 4.38Å; Y245-I255 HydrophobicContact CG-CG2 4.34Å; E246-I255 PolarHBondContact O-N 3.19Å; R247-I255 WeakPolarHBondContact CD-O 3.42Å; R247-I255 PolarHBondContact NH1-O 2.84Å; A253-I255 PolarHBondContact O-N 3.23Å; I255-E259 HydrophobicContact CG2-CB 3.83Å; I255-N306 HydrophobicContact CD1-CB 4.25Å; I255-K307 HydrophobicContact CD1-CB 4.45Å; I255-K307 HydrophobicContact CG1-CD 4.22Å; I255-L310 HydrophobicContact CB-CD2 4.44Å; I255-L310 HydrophobicContact CD1-CD2 3.98Å; I255-L310 HydrophobicContact CG1-CD2 3.91Å; I255-L310 HydrophobicContact CG2-CD2 3.72Å
256	P	98.6	Very high	98.2	Very high	21 Å²	21	46.4 Å²	46.4	14%	0.136	22%	0.223	C	C	.	.			trans	-58.2	160	173	-28.1	37.3	0	0	0	114.3	R247 Y254 D258 E259	R247-P256 VanDerWaalsContact NH1-C 3.28Å; R247-P256 PolarHBondContact NH1-O 2.91Å; Y254-P256 HydrophobicContact CE1-CG 3.69Å; P256-D258 VanDerWaalsContact C-N 3.28Å; P256-D258 WeakPolarHBondContact CB-OD1 3.32Å; P256-D258 PolarHBondContact O-N 2.93Å; P256-E259 HydrophobicContact CB-CB 4.36Å; P256-E259 HydrophobicContact CB-CG 4.2Å; P256-E259 HydrophobicContact CG-CG 4.27Å; P256-E259 WeakPolarHBondContact CG-OE1 3.42Å; P256-E259 PolarHBondContact O-N 2.81Å
257	K	98.1	Very high	98	Very high	121 Å²	121	46.2 Å²	46.2	53%	0.526	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.8	-176	-80.1	-78.4	-179.5	170.3	0	113.7	E241	E241-K257 HydrophobicContact CB-CD 4.16Å; E241-K257 PolarHBondContact O-NZ 3.42Å
258	D	98.1	Very high	98.1	Very high	128 Å²	128	43.4 Å²	43.4	68%	0.684	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.8	178	58	-26.5	0	0	0	113.4	R240 P256	R240-D258 WeakPolarHBondContact CD-O 3.5Å; P256-D258 VanDerWaalsContact C-N 3.28Å; P256-D258 WeakPolarHBondContact CB-OD1 3.32Å; P256-D258 PolarHBondContact O-N 2.93Å
259	E	98.6	Very high	98.1	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.257	19%	0.194	S	C	.	.			trans	-98.6	157.6	173.2	-67.6	-168.2	-127.4	0	0	112.3	I255 P256 L310 R311	I255-E259 HydrophobicContact CG2-CB 3.83Å; P256-E259 HydrophobicContact CB-CB 4.36Å; P256-E259 HydrophobicContact CB-CG 4.2Å; P256-E259 HydrophobicContact CG-CG 4.27Å; P256-E259 WeakPolarHBondContact CG-OE1 3.42Å; P256-E259 PolarHBondContact O-N 2.81Å; E259-L310 HydrophobicContact CB-CD2 4.3Å; E259-R311 IonicContact OE1-NH2 3.41Å; E259-R311 PolarHBondContact OE1-NH2 3.21Å; E259-R311 IonicContact OE2-CZ 3.8Å; E259-R311 IonicContact OE2-NH1 2.74Å; E259-R311 PolarHBondContact OE2-NH1 2.82Å; E259-R311 IonicContact OE2-NH2 2.8Å; E259-R311 PolarHBondContact OE2-NH2 3.18Å
260	G	98.1	Very high	98.1	Very high	8 Å²	8	34.6 Å²	34.6	8%	0.082	17%	0.168	C	C	.	.			trans	120.3	126.8	178.6	0	0	0	0	0	113.1	R240	R240-G260 PolarHBondContact NE-O 3.49Å
261	D	98.3	Very high	98.1	Very high	55 Å²	55	28.6 Å²	28.6	29%	0.294	14%	0.14	S	C	.	.	S	Bend	trans	-89.3	-54	172.8	-45	-80.1	0	0	0	110.7	W89 K313	W89-D261 HydrophobicContact CH2-CB 3.73Å; W89-D261 HydrophobicContact CZ3-CB 3.68Å; W89-D261 VanDerWaalsContact CZ3-CG 3.49Å; W89-D261 WeakPolarHBondContact CZ3-OD1 3.36Å; D261-K313 IonicContact OD1-NZ 3.43Å; D261-K313 PolarHBondContact OD1-NZ 2.9Å; D261-K313 IonicContact OD2-NZ 2.82Å; D261-K313 PolarHBondContact OD2-NZ 3.5Å
262	F	98.5	Very high	98.1	Very high	37 Å²	37	29.8 Å²	29.8	16%	0.162	15%	0.148	C	C	.	.			trans	-146.3	155	-177.8	-57.8	-76.7	0	0	0	110.9	T87 W89 I93 L231 Y245 Y264	T87-F262 HydrophobicContact CG2-CE2 3.9Å; T87-F262 HydrophobicContact CG2-CZ 4.31Å; W89-F262 AromaticContact CH2-CD2 3.86Å; W89-F262 HydrophobicContact CH2-CD2 3.86Å; W89-F262 AromaticContact CH2-CE2 3.6Å; W89-F262 HydrophobicContact CH2-CE2 3.6Å; W89-F262 HydrophobicContact CZ2-CE2 4.34Å; W89-F262 HydrophobicContact CZ3-CE2 4.24Å; I93-F262 HydrophobicContact CD1-CE1 4.32Å; I93-F262 HydrophobicContact CD1-CZ 3.84Å; L231-F262 HydrophobicContact CD2-CB 3.45Å; L231-F262 VanDerWaalsContact CD2-CB 3.45Å; L231-F262 HydrophobicContact CD2-CD1 3.47Å; L231-F262 VanDerWaalsContact CD2-CD1 3.47Å; L231-F262 HydrophobicContact CD2-CD2 4.29Å; L231-F262 HydrophobicContact CD2-CE1 4.27Å; L231-F262 HydrophobicContact CD2-CG 3.48Å; L231-F262 VanDerWaalsContact CD2-CG 3.48Å; Y245-F262 PolarHBondContact OH-O 3.29Å; F262-Y264 HydrophobicContact CB-CD1 4.44Å; F262-Y264 HydrophobicContact CB-CE1 3.97Å; F262-Y264 HydrophobicContact CB-CE2 4.21Å; F262-Y264 HydrophobicContact CD2-CE1 4.26Å; F262-Y264 AromaticContact CD2-CZ 3.97Å; F262-Y264 WeakPolarHBondContact CD2-OH 3.32Å; F262-Y264 WeakPolarHBondContact O-CD2 3.5Å
263	Y	98.8	Very high	98.1	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.016	13%	0.13	C	C	.	.			trans	-90.1	107.4	167.3	-163.3	-95	0	0	0	109.8	H232 F235 F243 T244 Y245 W299 E302	H232-Y263 HydrophobicContact CB-CD1 3.59Å; H232-Y263 HydrophobicContact CB-CE1 4.25Å; H232-Y263 WeakPolarHBondContact CB-O 3.31Å; H232-Y263 AromaticContact CD2-CE1 3.81Å; H232-Y263 AromaticContact CG-CD1 3.83Å; H232-Y263 PolarHBondContact N-O 2.82Å; F235-Y263 HydrophobicContact CB-CD1 4.25Å; F235-Y263 HydrophobicContact CB-CG 4.27Å; F235-Y263 AromaticContact CD2-CD1 3.38Å; F235-Y263 HydrophobicContact CD2-CD1 3.38Å; F235-Y263 AromaticContact CD2-CE1 3.76Å; F235-Y263 HydrophobicContact CD2-CE1 3.76Å; F235-Y263 AromaticContact CD2-CG 3.97Å; F235-Y263 HydrophobicContact CD2-CG 3.97Å; F235-Y263 AromaticContact CE2-CD1 3.95Å; F235-Y263 HydrophobicContact CE2-CD1 3.95Å; F235-Y263 AromaticContact CE2-CE1 3.86Å; F235-Y263 HydrophobicContact CE2-CE1 3.86Å; F235-Y263 HydrophobicContact CG-CD1 4.01Å; F235-Y263 HydrophobicContact CG-CG 4.18Å; F243-Y263 HydrophobicContact CB-CD2 3.8Å; F243-Y263 HydrophobicContact CB-CG 4.42Å; F243-Y263 HydrophobicContact CD1-CG 4.48Å; F243-Y263 HydrophobicContact CG-CD2 4.21Å; F243-Y263 HydrophobicContact CG-CG 4.4Å; T244-Y263 VanDerWaalsContact OG1-CZ 3.26Å; T244-Y263 PolarHBondContact OG1-OH 2.8Å; T244-Y263 VanDerWaalsContact OG1-OH 3.13Å; Y245-Y263 AromaticContact CD1-CD2 3.51Å; Y245-Y263 HydrophobicContact CD1-CD2 3.51Å; Y245-Y263 AromaticContact CD1-CE2 3.64Å; Y245-Y263 HydrophobicContact CD1-CE2 3.64Å; Y245-Y263 AromaticContact CE1-CD2 3.37Å; Y245-Y263 HydrophobicContact CE1-CD2 3.37Å; Y245-Y263 AromaticContact CE1-CE2 3.98Å; Y245-Y263 HydrophobicContact CE1-CE2 3.98Å; Y245-Y263 HydrophobicContact CE1-CG 4.31Å; Y245-Y263 HydrophobicContact CG-CD2 4.46Å; Y263-W299 VanDerWaalsContact OH-CD1 3.23Å; Y263-E302 WeakPolarHBondContact CE1-OE1 3.15Å; Y263-E302 VanDerWaalsContact CZ-OE1 3.22Å; Y263-E302 PolarHBondContact OH-OE1 3.22Å
264	Y	98.8	Very high	98.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	150.8	-179.8	-55.5	-76.5	0	0	0	111.6	T230 F262 N306 L309 P314 V317	T230-Y264 CarbonylContact O-C 3.45Å; T230-Y264 VanDerWaalsContact O-CA 3.23Å; T230-Y264 WeakPolarHBondContact O-CA 3.45Å; F262-Y264 HydrophobicContact CB-CD1 4.44Å; F262-Y264 HydrophobicContact CB-CE1 3.97Å; F262-Y264 HydrophobicContact CB-CE2 4.21Å; F262-Y264 HydrophobicContact CD2-CE1 4.26Å; F262-Y264 AromaticContact CD2-CZ 3.97Å; F262-Y264 WeakPolarHBondContact CD2-OH 3.32Å; F262-Y264 WeakPolarHBondContact O-CD2 3.5Å; Y264-N306 WeakPolarHBondContact CD2-OD1 3.34Å; Y264-N306 PolarHBondContact N-OD1 2.81Å; Y264-N306 PolarHBondContact O-ND2 3.23Å; Y264-L309 HydrophobicContact CD1-CD1 4.03Å; Y264-L309 HydrophobicContact CD2-CB 3.77Å; Y264-L309 HydrophobicContact CD2-CD1 3.62Å; Y264-L309 HydrophobicContact CD2-CG 4.36Å; Y264-L309 HydrophobicContact CE1-CD1 4.48Å; Y264-L309 HydrophobicContact CE2-CB 3.67Å; Y264-L309 HydrophobicContact CE2-CD1 4.11Å; Y264-L309 HydrophobicContact CG-CD1 3.55Å; Y264-P314 HydrophobicContact CE1-CG 4.23Å; Y264-V317 HydrophobicContact CE1-CG1 4.03Å; Y264-V317 HydrophobicContact CE1-CG2 4.09Å
265	L	94.3	Very high	98.1	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.7	-175.9	-156.3	150.8	0	0	0	112.9	T230 H232 P233 G267 E302 L305 L323	T230-L265 PolarHBondContact O-N 2.9Å; H232-L265 HydrophobicContact CB-CB 4.17Å; H232-L265 HydrophobicContact CB-CD1 4.19Å; H232-L265 HydrophobicContact CB-CG 4.49Å; P233-L265 HydrophobicContact CG-CD1 4.31Å; L265-G267 VanDerWaalsContact CD2-CA 3.42Å; L265-G267 PolarHBondContact O-N 2.95Å; L265-E302 WeakPolarHBondContact CA-OE2 3.24Å; L265-L305 WeakPolarHBondContact O-CD2 3.11Å; L265-L323 HydrophobicContact CD1-CD1 3.73Å; L265-L323 HydrophobicContact CD1-CD2 3.37Å; L265-L323 HydrophobicContact CD1-CG 4.04Å; L265-L323 HydrophobicContact CD2-CD1 3.36Å; L265-L323 HydrophobicContact CD2-CD2 4.38Å; L265-L323 HydrophobicContact CD2-CG 4.47Å; L265-L323 HydrophobicContact CG-CD1 4.07Å
266	G	95.3	Very high	98.1	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-11.3	179.4	0	0	0	0	0	115.8	R187 E302	R187-G266 PolarHBondContact NH2-O 2.91Å; G266-E302 PolarHBondContact N-OE2 3.41Å
267	G	94.7	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	3.4	-172.7	0	0	0	0	0	114.5	V209 D210 L265	V209-G267 CarbonylContact C-O 3.51Å; V209-G267 WeakPolarHBondContact CA-O 3.4Å; D210-G267 VanDerWaalsContact CG-CA 3.5Å; D210-G267 PolarHBondContact N-O 3.13Å; D210-G267 WeakPolarHBondContact OD2-CA 3.47Å; L265-G267 VanDerWaalsContact CD2-CA 3.42Å; L265-G267 PolarHBondContact O-N 2.95Å
268	F	98.7	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	101.4	168.6	-159.1	-25.8	0	0	0	111.5	V207 C208 V209 V219 I223 F228 T230 L318 Y322 L323 F340	V207-F268 HydrophobicContact CG1-CD1 4.19Å; V207-F268 HydrophobicContact CG1-CE1 3.51Å; V207-F268 HydrophobicContact CG1-CZ 4.13Å; C208-F268 WeakPolarHBondContact O-CA 3.28Å; V209-F268 HydrophobicContact CG1-CB 4.24Å; V209-F268 HydrophobicContact CG1-CD1 3.68Å; V209-F268 HydrophobicContact CG1-CD2 3.97Å; V209-F268 HydrophobicContact CG1-CE1 4Å; V209-F268 HydrophobicContact CG1-CE2 4.25Å; V209-F268 HydrophobicContact CG1-CG 3.7Å; V209-F268 HydrophobicContact CG1-CZ 4.28Å; V219-F268 HydrophobicContact CG1-CZ 4.09Å; I223-F268 HydrophobicContact CD1-CE1 4.1Å; I223-F268 HydrophobicContact CD1-CZ 4.03Å; F228-F268 AromaticContact CE2-CD1 3.68Å; F228-F268 HydrophobicContact CE2-CD1 3.68Å; F228-F268 AromaticContact CE2-CE1 3.62Å; F228-F268 HydrophobicContact CE2-CE1 3.62Å; F228-F268 HydrophobicContact CZ-CD1 4.23Å; F228-F268 AromaticContact CZ-CE1 3.86Å; F228-F268 HydrophobicContact CZ-CE1 3.86Å; T230-F268 VanDerWaalsContact CB-O 3.26Å; T230-F268 WeakPolarHBondContact CB-O 3.34Å; T230-F268 HydrophobicContact CG2-CB 4.47Å; T230-F268 PolarHBondContact N-O 2.88Å; T230-F268 PolarHBondContact OG1-O 3.03Å; F268-L318 HydrophobicContact CD1-CD1 4.3Å; F268-L318 HydrophobicContact CE1-CD1 3.9Å; F268-L318 HydrophobicContact CZ-CD1 4.09Å; F268-Y322 WeakPolarHBondContact CD2-O 3.32Å; F268-Y322 VanDerWaalsContact CE2-O 3.25Å; F268-Y322 WeakPolarHBondContact CE2-O 3.49Å; F268-L323 HydrophobicContact CB-CD1 3.88Å; F268-F340 AromaticContact CD2-CD1 3.77Å; F268-F340 HydrophobicContact CD2-CD1 3.77Å; F268-F340 HydrophobicContact CD2-CE1 4.11Å; F268-F340 HydrophobicContact CE2-CD1 4.08Å
269	F	98.9	Very high	98.1	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	172.4	171.7	63.9	-88	0	0	0	110.1	M188 I191 C208 F228 L279 T280 L305	M188-F269 HydrophobicContact CE-CE1 4.06Å; M188-F269 HydrophobicContact CE-CZ 4.02Å; M188-F269 HydrophobicContact SD-CZ 4.11Å; I191-F269 HydrophobicContact CD1-CZ 4.2Å; C208-F269 HydrophobicContact CB-CD1 4.26Å; C208-F269 HydrophobicContact CB-CD2 4.01Å; C208-F269 HydrophobicContact CB-CE1 3.85Å; C208-F269 HydrophobicContact CB-CE2 3.56Å; C208-F269 HydrophobicContact CB-CG 4.34Å; C208-F269 HydrophobicContact CB-CZ 3.48Å; C208-F269 VanDerWaalsContact CB-CZ 3.48Å; C208-F269 PolarHBondContact N-O 3.19Å; C208-F269 PolarHBondContact O-N 2.89Å; C208-F269 VanDerWaalsContact O-N 3.1Å; F228-F269 VanDerWaalsContact CZ-C 3.49Å; F269-L279 HydrophobicContact CD2-CD1 4.44Å; F269-L279 HydrophobicContact CD2-CD2 4.15Å; F269-L279 HydrophobicContact CE2-CD2 3.95Å; F269-T280 HydrophobicContact CE2-CG2 4.01Å; F269-T280 HydrophobicContact CZ-CG2 4.36Å; F269-L305 HydrophobicContact CB-CD1 4.45Å; F269-L305 HydrophobicContact CD1-CD2 4.27Å; F269-L305 HydrophobicContact CG-CD1 4.43Å
270	G	98.9	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-168.5	177.1	0	0	0	0	0	113.1	L206 F228	L206-G270 CarbonylContact O-C 3.59Å; L206-G270 WeakPolarHBondContact O-CA 3.41Å; F228-G270 WeakPolarHBondContact CD1-O 3.42Å; F228-G270 VanDerWaalsContact CZ-CA 3.4Å; F228-G270 VanDerWaalsContact CZ-N 3.33Å; F228-G270 PolarHBondContact N-O 2.91Å; F228-G270 PolarHBondContact O-N 3.49Å
271	G	98.9	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-166.7	-173	0	0	0	0	0	112.8	Y205 L206 T225 P226 V276	Y205-G271 CarbonylContact C-O 3.1Å; Y205-G271 VanDerWaalsContact CA-O 3.26Å; Y205-G271 WeakPolarHBondContact CA-O 3.46Å; L206-G271 PolarHBondContact N-O 2.9Å; L206-G271 PolarHBondContact O-N 2.9Å; T225-G271 CarbonylContact O-C 3.57Å; T225-G271 VanDerWaalsContact O-CA 3.3Å; T225-G271 WeakPolarHBondContact O-CA 3.43Å; P226-G271 CarbonylContact O-C 3.58Å; P226-G271 WeakPolarHBondContact O-CA 3.49Å; G271-V276 VanDerWaalsContact N-CG2 3.33Å
272	S	98.9	Very high	98.2	Very high	27 Å²	27	22.5 Å²	22.5	19%	0.189	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	154.3	163.6	71.4	0	0	0	0	109.4	T225 P226 Q274 E275 V276	T225-S272 PolarHBondContact O-N 3.02Å; P226-S272 PolarHBondContact O-N 3.17Å; S272-Q274 PolarHBondContact O-N 3.08Å; S272-Q274 VanDerWaalsContact O-N 3.14Å; S272-E275 PolarHBondContact O-N 3Å; S272-E275 VanDerWaalsContact O-N 3.1Å; S272-E275 PolarHBondContact OG-N 3.41Å; S272-V276 PolarHBondContact O-N 3.16Å
273	V	98.8	Very high	98.2	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-53.6	-39.2	179.4	-179	0	0	0	0	111.7	C195 F199 L200 V203 D204 L206 Q277	C195-V273 HydrophobicContact CB-CG1 4.17Å; F199-V273 HydrophobicContact CB-CG1 3.89Å; F199-V273 HydrophobicContact CB-CG2 4.3Å; L200-V273 HydrophobicContact CB-CG1 4.42Å; L200-V273 HydrophobicContact CD2-CB 4.04Å; L200-V273 HydrophobicContact CD2-CG1 3.6Å; L200-V273 HydrophobicContact CG-CG1 3.7Å; V203-V273 HydrophobicContact CG2-CG2 3.78Å; V203-V273 VanDerWaalsContact O-CG2 3.23Å; V203-V273 WeakPolarHBondContact O-CG2 3.49Å; D204-V273 PolarHBondContact O-N 3.02Å; L206-V273 HydrophobicContact CD1-CB 4.45Å; L206-V273 HydrophobicContact CD1-CG1 4.15Å; L206-V273 HydrophobicContact CD1-CG2 4.23Å; L206-V273 HydrophobicContact CG-CG2 4.16Å; V273-Q277 VanDerWaalsContact O-CB 3.27Å; V273-Q277 WeakPolarHBondContact O-CB 2.95Å; V273-Q277 PolarHBondContact O-N 2.84Å
274	Q	98.6	Very high	98.2	Very high	100 Å²	100	22 Å²	22	47%	0.467	11%	0.105	S	C	.	.	H	α-helix	trans	-63.1	-45.6	178.9	-179.1	175.9	59.5	0	0	112.8	S272 Q277 R278	S272-Q274 PolarHBondContact O-N 3.08Å; S272-Q274 VanDerWaalsContact O-N 3.14Å; Q274-Q277 PolarHBondContact O-N 3.23Å; Q274-R278 WeakPolarHBondContact O-CG 3.05Å; Q274-R278 PolarHBondContact O-N 3.39Å
275	E	98.8	Very high	98.2	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	13%	0.13	C	C	.	.	H	α-helix	trans	-71.6	-38	-179.3	-72.2	-58.9	110	0	0	111.8	P226 L227 S272 Q277 R278 L279	P226-E275 HydrophobicContact CB-CG 4.14Å; P226-E275 WeakPolarHBondContact O-CB 3.41Å; P226-E275 VanDerWaalsContact O-CG 3.25Å; P226-E275 WeakPolarHBondContact O-CG 3.46Å; L227-E275 HydrophobicContact CB-CB 4.26Å; L227-E275 HydrophobicContact CB-CG 4.43Å; S272-E275 PolarHBondContact O-N 3Å; S272-E275 VanDerWaalsContact O-N 3.1Å; S272-E275 PolarHBondContact OG-N 3.41Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.79Å; E275-R278 PolarHBondContact O-N 3.26Å; E275-R278 WeakPolarHBondContact OE1-CD 3.25Å; E275-R278 IonicContact OE1-CZ 3.72Å; E275-R278 IonicContact OE1-NE 2.63Å; E275-R278 IonicContact OE1-NH1 3.28Å; E275-R278 PolarHBondContact OE1-NH1 2.97Å; E275-L279 WeakPolarHBondContact O-CB 3.16Å; E275-L279 PolarHBondContact O-N 3.46Å
276	V	98.9	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-41.4	174	173.1	0	0	0	0	110.6	I191 L206 G271 S272 L279 T280	I191-V276 HydrophobicContact CG2-CG1 3.81Å; L206-V276 HydrophobicContact CB-CB 4.27Å; L206-V276 HydrophobicContact CB-CG1 4.18Å; L206-V276 HydrophobicContact CB-CG2 3.99Å; L206-V276 HydrophobicContact CD1-CB 4.22Å; L206-V276 HydrophobicContact CD1-CG1 3.93Å; G271-V276 VanDerWaalsContact N-CG2 3.33Å; S272-V276 PolarHBondContact O-N 3.16Å; V276-L279 PolarHBondContact O-N 2.98Å; V276-T280 HydrophobicContact CG1-CG2 4.06Å; V276-T280 WeakPolarHBondContact O-CB 3.21Å; V276-T280 VanDerWaalsContact O-CG2 3.24Å; V276-T280 WeakPolarHBondContact O-CG2 3.26Å; V276-T280 PolarHBondContact O-N 2.97Å; V276-T280 PolarHBondContact O-OG1 2.88Å
277	Q	98.8	Very high	98.6	Very high	24 Å²	24	28.6 Å²	28.6	11%	0.112	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-46.3	173.7	-175	-172.4	46.8	0	0	111.9	C195 E196 V273 Q274 E275 T280 R281	C195-Q277 HydrophobicContact CB-CB 3.77Å; C195-Q277 HydrophobicContact CB-CG 3.81Å; E196-Q277 PolarHBondContact OE1-NE2 2.83Å; V273-Q277 VanDerWaalsContact O-CB 3.27Å; V273-Q277 WeakPolarHBondContact O-CB 2.95Å; V273-Q277 PolarHBondContact O-N 2.84Å; Q274-Q277 PolarHBondContact O-N 3.23Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.79Å; Q277-T280 PolarHBondContact O-OG1 3.23Å; Q277-R281 VanDerWaalsContact CG-NH2 3.33Å; Q277-R281 WeakPolarHBondContact O-CB 3.05Å; Q277-R281 PolarHBondContact O-N 3Å
278	R	98.9	Very high	98.8	Very high	114 Å²	114	31.2 Å²	31.2	43%	0.43	15%	0.152	S	C	.	.	H	α-helix	trans	-59.8	-49.1	177.7	-74	169	179	174	-0.1	111.4	Q274 E275 A282	Q274-R278 WeakPolarHBondContact O-CG 3.05Å; Q274-R278 PolarHBondContact O-N 3.39Å; E275-R278 PolarHBondContact O-N 3.26Å; E275-R278 WeakPolarHBondContact OE1-CD 3.25Å; E275-R278 IonicContact OE1-CZ 3.72Å; E275-R278 IonicContact OE1-NE 2.63Å; E275-R278 IonicContact OE1-NH1 3.28Å; E275-R278 PolarHBondContact OE1-NH1 2.97Å; R278-A282 VanDerWaalsContact O-CB 3.23Å; R278-A282 WeakPolarHBondContact O-CB 3.19Å; R278-A282 PolarHBondContact O-N 3.31Å
279	L	98.9	Very high	98.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-55.4	178.5	179.8	156.5	0	0	0	111.5	M188 L227 F269 E275 V276 R281 A282 C283 L305 Y308 L309	M188-L279 HydrophobicContact SD-CD2 4.14Å; L227-L279 HydrophobicContact CD1-CD1 3.71Å; F269-L279 HydrophobicContact CD2-CD1 4.44Å; F269-L279 HydrophobicContact CD2-CD2 4.15Å; F269-L279 HydrophobicContact CE2-CD2 3.95Å; E275-L279 WeakPolarHBondContact O-CB 3.16Å; E275-L279 PolarHBondContact O-N 3.46Å; V276-L279 PolarHBondContact O-N 2.98Å; L279-R281 PolarHBondContact O-N 3.04Å; L279-A282 PolarHBondContact O-N 3.26Å; L279-C283 WeakPolarHBondContact O-CB 3.15Å; L279-C283 PolarHBondContact O-N 3.04Å; L279-C283 PolarHBondContact O-SG 3.22Å; L279-C283 VanDerWaalsContact O-SG 3.37Å; L279-L305 HydrophobicContact CD1-CD1 3.74Å; L279-L305 HydrophobicContact CD2-CD1 4.06Å; L279-L305 HydrophobicContact CG-CD1 4.28Å; L279-Y308 VanDerWaalsContact CA-CZ 3.46Å; L279-Y308 HydrophobicContact CB-CD1 3.96Å; L279-Y308 HydrophobicContact CB-CE1 3.58Å; L279-Y308 HydrophobicContact CB-CE2 4.42Å; L279-Y308 HydrophobicContact CD1-CD1 3.72Å; L279-Y308 HydrophobicContact CD1-CE1 3.9Å; L279-Y308 HydrophobicContact CG-CD1 3.62Å; L279-Y308 HydrophobicContact CG-CE1 3.79Å; L279-Y308 HydrophobicContact CG-CG 4.12Å; L279-Y308 PolarHBondContact N-OH 3.02Å; L279-L309 HydrophobicContact CD1-CD2 4.22Å
280	T	98.9	Very high	98.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.6	-40	-172.8	53.4	0	0	0	0	111.5	M188 I191 S192 F269 V276 Q277 H284	M188-T280 WeakPolarHBondContact O-CB 3.44Å; M188-T280 HydrophobicContact SD-CG2 3.83Å; I191-T280 HydrophobicContact CB-CG2 4.03Å; I191-T280 HydrophobicContact CD1-CG2 4.43Å; I191-T280 HydrophobicContact CG2-CG2 3.79Å; S192-T280 WeakPolarHBondContact CB-OG1 3.25Å; F269-T280 HydrophobicContact CE2-CG2 4.01Å; F269-T280 HydrophobicContact CZ-CG2 4.36Å; V276-T280 HydrophobicContact CG1-CG2 4.06Å; V276-T280 WeakPolarHBondContact O-CB 3.21Å; V276-T280 VanDerWaalsContact O-CG2 3.24Å; V276-T280 WeakPolarHBondContact O-CG2 3.26Å; V276-T280 PolarHBondContact O-N 2.97Å; V276-T280 PolarHBondContact O-OG1 2.88Å; Q277-T280 PolarHBondContact O-OG1 3.23Å; T280-H284 VanDerWaalsContact O-CB 3.32Å; T280-H284 WeakPolarHBondContact O-CB 3.49Å; T280-H284 PolarHBondContact O-N 2.63Å
281	R	98.8	Very high	98.8	Very high	82 Å²	82	39.8 Å²	39.8	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-63.3	-45.6	173.8	-169.7	-174.4	-59.1	151.8	-1.3	112.1	E196 Q277 L279 H284 Q285	E196-R281 IonicContact OE1-CZ 3.5Å; E196-R281 IonicContact OE1-NH2 3.63Å; E196-R281 PolarHBondContact OE1-NH2 3.11Å; Q277-R281 VanDerWaalsContact CG-NH2 3.33Å; Q277-R281 WeakPolarHBondContact O-CB 3.05Å; Q277-R281 PolarHBondContact O-N 3Å; L279-R281 PolarHBondContact O-N 3.04Å; R281-H284 PolarHBondContact O-N 2.82Å; R281-Q285 WeakPolarHBondContact O-CB 3.5Å; R281-Q285 WeakPolarHBondContact O-CG 3.4Å; R281-Q285 PolarHBondContact O-N 3.18Å
282	A	98.9	Very high	98.8	Very high	36 Å²	36	43.9 Å²	43.9	30%	0.298	23%	0.23	S	C	.	.	H	α-helix	trans	-63.9	-44.7	179.4	0	0	0	0	0	111.9	R278 L279 H284 Q285 A286 Y308	R278-A282 VanDerWaalsContact O-CB 3.23Å; R278-A282 WeakPolarHBondContact O-CB 3.19Å; R278-A282 PolarHBondContact O-N 3.31Å; L279-A282 PolarHBondContact O-N 3.26Å; A282-H284 PolarHBondContact O-N 3.21Å; A282-Q285 PolarHBondContact O-N 3.19Å; A282-A286 WeakPolarHBondContact O-CB 3.19Å; A282-A286 PolarHBondContact O-N 3.09Å; A282-Y308 HydrophobicContact CB-CD2 3.71Å; A282-Y308 HydrophobicContact CB-CE2 3.67Å
283	C	98.9	Very high	98.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-45.9	174.1	-72.5	0	0	0	0	111.3	M188 L279 A286 M287 H304	M188-C283 HydrophobicContact CB-CB 4.35Å; M188-C283 HydrophobicContact CG-CB 3.95Å; M188-C283 HydrophobicContact SD-CB 4.05Å; L279-C283 WeakPolarHBondContact O-CB 3.15Å; L279-C283 PolarHBondContact O-N 3.04Å; L279-C283 PolarHBondContact O-SG 3.22Å; L279-C283 VanDerWaalsContact O-SG 3.37Å; C283-A286 PolarHBondContact O-N 3.13Å; C283-M287 HydrophobicContact CB-CE 4.4Å; C283-M287 WeakPolarHBondContact O-CE 3.16Å; C283-M287 WeakPolarHBondContact O-CG 3.38Å; C283-M287 PolarHBondContact O-N 3.25Å; C283-H304 HydrophobicContact CB-CB 4.14Å
284	H	98.8	Very high	98.7	Very high	30 Å²	30	50.9 Å²	50.9	14%	0.139	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-48.6	178.2	175.5	53.7	0	0	0	112.5	R186 M188 E189 T280 R281 A282 A286 M287 M288	R186-H284 PolarHBondContact NH1-CE1 2.79Å; M188-H284 HydrophobicContact CB-CB 4.19Å; E189-H284 IonicContact OE2-CE1 3.77Å; E189-H284 PolarHBondContact OE2-CE1 3.06Å; T280-H284 VanDerWaalsContact O-CB 3.32Å; T280-H284 WeakPolarHBondContact O-CB 3.49Å; T280-H284 PolarHBondContact O-N 2.63Å; R281-H284 PolarHBondContact O-N 2.82Å; A282-H284 PolarHBondContact O-N 3.21Å; H284-A286 VanDerWaalsContact C-N 3.32Å; H284-A286 PolarHBondContact O-N 3.23Å; H284-M287 WeakPolarHBondContact O-CB 3.38Å; H284-M287 PolarHBondContact O-N 3.46Å; H284-M287 VanDerWaalsContact O-N 3.16Å; H284-M288 VanDerWaalsContact CE1-SD 3.58Å; H284-M288 WeakPolarHBondContact O-CG 3.33Å; H284-M288 PolarHBondContact O-N 2.97Å
285	Q	98.9	Very high	98.7	Very high	115 Å²	115	47.2 Å²	47.2	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-42.7	177.2	-72.6	174.9	-14.9	0	0	111.8	R281 A282 M287 M288 V289	R281-Q285 WeakPolarHBondContact O-CB 3.5Å; R281-Q285 WeakPolarHBondContact O-CG 3.4Å; R281-Q285 PolarHBondContact O-N 3.18Å; A282-Q285 PolarHBondContact O-N 3.19Å; Q285-M287 VanDerWaalsContact C-N 3.34Å; Q285-M287 PolarHBondContact O-N 3.26Å; Q285-M288 PolarHBondContact O-N 3.04Å; Q285-M288 VanDerWaalsContact O-N 3.16Å; Q285-V289 WeakPolarHBondContact O-CG2 3.48Å; Q285-V289 PolarHBondContact O-N 3.3Å
286	A	98.8	Very high	98.7	Very high	21 Å²	21	48.4 Å²	48.4	17%	0.174	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-40.7	175.5	0	0	0	0	0	112.4	Q252 A282 C283 H284 M288 V289 D290 H304	Q252-A286 HydrophobicContact CB-CB 3.81Å; Q252-A286 HydrophobicContact CG-CB 4.35Å; A282-A286 WeakPolarHBondContact O-CB 3.19Å; A282-A286 PolarHBondContact O-N 3.09Å; C283-A286 PolarHBondContact O-N 3.13Å; H284-A286 VanDerWaalsContact C-N 3.32Å; H284-A286 PolarHBondContact O-N 3.23Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 3.22Å; A286-V289 PolarHBondContact O-N 3.31Å; A286-D290 PolarHBondContact O-N 3.32Å; A286-H304 WeakPolarHBondContact CB-ND1 3.47Å
287	M	98.6	Very high	98.7	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.044	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-36	173.9	-74.9	-176.9	-71.9	0	0	112.4	M185 M188 C283 H284 Q285 D290 Q291 D301 H304	M185-M287 HydrophobicContact CB-CE 4.42Å; M185-M287 HydrophobicContact CB-SD 3.54Å; M185-M287 VanDerWaalsContact CB-SD 3.54Å; M185-M287 HydrophobicContact CG-SD 3.61Å; M185-M287 VanDerWaalsContact O-CE 3.27Å; M185-M287 WeakPolarHBondContact O-CE 3.44Å; M185-M287 HydrophobicContact SD-SD 3.97Å; M188-M287 HydrophobicContact CB-CE 3.63Å; M188-M287 HydrophobicContact CG-CE 3.59Å; C283-M287 HydrophobicContact CB-CE 4.4Å; C283-M287 WeakPolarHBondContact O-CE 3.16Å; C283-M287 WeakPolarHBondContact O-CG 3.38Å; C283-M287 PolarHBondContact O-N 3.25Å; H284-M287 WeakPolarHBondContact O-CB 3.38Å; H284-M287 PolarHBondContact O-N 3.46Å; H284-M287 VanDerWaalsContact O-N 3.16Å; Q285-M287 VanDerWaalsContact C-N 3.34Å; Q285-M287 PolarHBondContact O-N 3.26Å; M287-D290 PolarHBondContact O-N 3.32Å; M287-Q291 WeakPolarHBondContact O-CB 3.36Å; M287-Q291 PolarHBondContact O-N 3.27Å; M287-D301 HydrophobicContact SD-CB 4.28Å; M287-H304 WeakPolarHBondContact CG-CD2 3.43Å; M287-H304 VanDerWaalsContact CG-NE2 3.32Å; M287-H304 WeakPolarHBondContact CG-NE2 3.37Å
288	M	98.6	Very high	98.6	Very high	55 Å²	55	50.6 Å²	50.6	27%	0.271	29%	0.286	S	S	.	.	H	α-helix	trans	-70	-35.1	176.8	-63.4	-53	83.6	0	0	112.2	R186 H284 Q285 A286 Q291 A292	R186-M288 PolarHBondContact NH1-SD 2.95Å; R186-M288 VanDerWaalsContact NH1-SD 3.41Å; H284-M288 VanDerWaalsContact CE1-SD 3.58Å; H284-M288 WeakPolarHBondContact O-CG 3.33Å; H284-M288 PolarHBondContact O-N 2.97Å; Q285-M288 PolarHBondContact O-N 3.04Å; Q285-M288 VanDerWaalsContact O-N 3.16Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 3.22Å; M288-Q291 PolarHBondContact O-N 3.3Å; M288-Q291 PolarHBondContact SD-OE1 2.98Å; M288-A292 WeakPolarHBondContact O-CB 3.5Å; M288-A292 PolarHBondContact O-N 2.81Å
289	V	98.8	Very high	98.6	Very high	61 Å²	61	48.1 Å²	48.1	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-45.3	172.1	173.1	0	0	0	0	110.8	Q252 Q285 A286 Q291 A292 N293	Q252-V289 HydrophobicContact CG-CB 3.79Å; Q252-V289 HydrophobicContact CG-CG1 3.58Å; Q285-V289 WeakPolarHBondContact O-CG2 3.48Å; Q285-V289 PolarHBondContact O-N 3.3Å; A286-V289 PolarHBondContact O-N 3.31Å; V289-Q291 VanDerWaalsContact C-N 3.35Å; V289-Q291 PolarHBondContact O-N 3.3Å; V289-A292 PolarHBondContact O-N 2.82Å; V289-N293 WeakPolarHBondContact O-CB 3.15Å; V289-N293 PolarHBondContact O-N 3.23Å; V289-N293 PolarHBondContact O-ND2 2.71Å
290	D	98.8	Very high	98.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.011	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-45	175.9	-85.1	12.3	0	0	0	111.4	S251 Q252 A286 M287 A292 N293 G294 I295 H304	S251-D290 WeakPolarHBondContact CA-OD1 3.42Å; S251-D290 WeakPolarHBondContact CB-OD2 3.24Å; S251-D290 PolarHBondContact OG-OD2 3.45Å; Q252-D290 WeakPolarHBondContact CG-OD1 3.44Å; Q252-D290 PolarHBondContact N-OD1 3.09Å; A286-D290 PolarHBondContact O-N 3.32Å; M287-D290 PolarHBondContact O-N 3.32Å; D290-A292 VanDerWaalsContact C-N 3.35Å; D290-A292 PolarHBondContact O-N 2.91Å; D290-N293 CarbonylContact O-C 3.53Å; D290-N293 PolarHBondContact O-N 3.49Å; D290-N293 VanDerWaalsContact O-N 3.1Å; D290-G294 PolarHBondContact O-N 3.42Å; D290-G294 VanDerWaalsContact O-N 3.09Å; D290-I295 CarbonylContact C-O 3.44Å; D290-I295 HydrophobicContact CB-CG2 3.76Å; D290-I295 WeakPolarHBondContact CB-O 3.37Å; D290-I295 WeakPolarHBondContact O-CG2 3.49Å; D290-I295 PolarHBondContact O-N 3.27Å; D290-H304 IonicContact OD2-CE1 3.54Å; D290-H304 PolarHBondContact OD2-CE1 3.23Å; D290-H304 VanDerWaalsContact OD2-CE1 3.28Å; D290-H304 IonicContact OD2-NE2 3.95Å
291	Q	98	Very high	98.5	Very high	117 Å²	117	49.3 Å²	49.3	55%	0.547	28%	0.282	S	S	.	.	H	α-helix	trans	-57.7	-45.4	174.8	-174.8	179.8	13.3	0	0	112	M287 M288 V289 N293 G294	M287-Q291 WeakPolarHBondContact O-CB 3.36Å; M287-Q291 PolarHBondContact O-N 3.27Å; M288-Q291 PolarHBondContact O-N 3.3Å; M288-Q291 PolarHBondContact SD-OE1 2.98Å; V289-Q291 VanDerWaalsContact C-N 3.35Å; V289-Q291 PolarHBondContact O-N 3.3Å; Q291-N293 VanDerWaalsContact C-N 3.26Å; Q291-N293 PolarHBondContact O-N 3.32Å; Q291-G294 PolarHBondContact O-N 3.02Å; Q291-G294 VanDerWaalsContact O-N 3.1Å
292	A	98.5	Very high	98.5	Very high	87 Å²	87	46.4 Å²	46.4	72%	0.719	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-30.6	178	0	0	0	0	0	112.6	M288 V289 D290 G294	M288-A292 WeakPolarHBondContact O-CB 3.5Å; M288-A292 PolarHBondContact O-N 2.81Å; V289-A292 PolarHBondContact O-N 2.82Å; D290-A292 VanDerWaalsContact C-N 3.35Å; D290-A292 PolarHBondContact O-N 2.91Å; A292-G294 VanDerWaalsContact C-N 3.29Å
293	N	98.3	Very high	98.5	Very high	105 Å²	105	44.8 Å²	44.8	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3.7	175.6	-67.7	-26.8	0	0	0	113.4	V289 D290 Q291 I295	V289-N293 WeakPolarHBondContact O-CB 3.15Å; V289-N293 PolarHBondContact O-N 3.23Å; V289-N293 PolarHBondContact O-ND2 2.71Å; D290-N293 CarbonylContact O-C 3.53Å; D290-N293 PolarHBondContact O-N 3.49Å; D290-N293 VanDerWaalsContact O-N 3.1Å; Q291-N293 VanDerWaalsContact C-N 3.26Å; Q291-N293 PolarHBondContact O-N 3.32Å; N293-I295 VanDerWaalsContact C-N 3.31Å; N293-I295 HydrophobicContact CB-CG2 4.25Å; N293-I295 PolarHBondContact O-N 3.22Å
294	G	98.3	Very high	98.5	Very high	73 Å²	73	44.9 Å²	44.9	75%	0.753	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	27	179.4	0	0	0	0	0	114	D290 Q291 A292	D290-G294 PolarHBondContact O-N 3.42Å; D290-G294 VanDerWaalsContact O-N 3.09Å; Q291-G294 PolarHBondContact O-N 3.02Å; Q291-G294 VanDerWaalsContact O-N 3.1Å; A292-G294 VanDerWaalsContact C-N 3.29Å
295	I	98.4	Very high	98.5	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.118	25%	0.252	C	S	.	.			trans	-121	145.7	177.2	-168.9	163.9	0	0	0	110.4	R248 Q250 D290 N293	R248-I295 HydrophobicContact CB-CD1 4.14Å; Q250-I295 HydrophobicContact CB-CD1 4.08Å; D290-I295 CarbonylContact C-O 3.44Å; D290-I295 HydrophobicContact CB-CG2 3.76Å; D290-I295 WeakPolarHBondContact CB-O 3.37Å; D290-I295 WeakPolarHBondContact O-CG2 3.49Å; D290-I295 PolarHBondContact O-N 3.27Å; N293-I295 VanDerWaalsContact C-N 3.31Å; N293-I295 HydrophobicContact CB-CG2 4.25Å; N293-I295 PolarHBondContact O-N 3.22Å
296	E	98.7	Very high	98.5	Very high	60 Å²	60	38 Å²	38	28%	0.28	23%	0.227	S	C	.	.			trans	-126.7	127.2	171.5	-177.8	175.6	99.1	0	0	107.2	R179 M185 R248 H300	R179-E296 IonicContact CZ-OE1 3.28Å; R179-E296 IonicContact CZ-OE2 3.49Å; R179-E296 VanDerWaalsContact CZ-OE2 3.3Å; R179-E296 IonicContact NH1-OE1 2.94Å; R179-E296 IonicContact NH1-OE2 3.59Å; R179-E296 PolarHBondContact NH1-OE2 2.88Å; R179-E296 VanDerWaalsContact NH2-CD 3.26Å; R179-E296 IonicContact NH2-OE1 2.75Å; R179-E296 PolarHBondContact NH2-OE1 3.24Å; R179-E296 IonicContact NH2-OE2 3.24Å; R179-E296 PolarHBondContact NH2-OE2 2.96Å; M185-E296 HydrophobicContact CE-CG 4.25Å; M185-E296 WeakPolarHBondContact CE-OE2 3.03Å; M185-E296 HydrophobicContact SD-CG 4.19Å; R248-E296 PolarHBondContact NH2-O 3.06Å; E296-H300 IonicContact OE1-CD2 3.75Å; E296-H300 PolarHBondContact OE1-CD2 3.08Å; E296-H300 IonicContact OE1-NE2 3.38Å
297	A	98.5	Very high	98.5	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	23%	0.229	C	C	.	.			trans	-63.8	146.8	-175.5	0	0	0	0	0	112.2	E246 A253 W299 H300	E246-A297 WeakPolarHBondContact OE2-CA 3.3Å; A253-A297 HydrophobicContact CB-CB 3.95Å; A297-W299 VanDerWaalsContact C-N 3.28Å; A297-W299 PolarHBondContact O-N 2.98Å; A297-W299 VanDerWaalsContact O-N 3.14Å; A297-H300 PolarHBondContact O-N 2.61Å
298	V	98.3	Very high	98.6	Very high	69 Å²	69	40 Å²	40	42%	0.418	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.5	-169.6	63.8	0	0	0	0	114.6	E246	E246-V298 HydrophobicContact CB-CG1 4.29Å; E246-V298 PolarHBondContact OE2-N 2.81Å
299	W	97.9	Very high	98.6	Very high	62 Å²	62	37.3 Å²	37.3	24%	0.235	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	36.8	173.8	-63.7	110.6	0	0	0	111.8	T244 Y263 A297 D301 E302 S303 W372	T244-W299 VanDerWaalsContact CB-NE1 3.27Å; T244-W299 PolarHBondContact OG1-NE1 3.3Å; Y263-W299 VanDerWaalsContact OH-CD1 3.23Å; A297-W299 VanDerWaalsContact C-N 3.28Å; A297-W299 PolarHBondContact O-N 2.98Å; A297-W299 VanDerWaalsContact O-N 3.14Å; W299-D301 PolarHBondContact O-N 2.83Å; W299-E302 HydrophobicContact CB-CB 4.24Å; W299-E302 WeakPolarHBondContact O-CB 3.23Å; W299-E302 PolarHBondContact O-N 2.86Å; W299-S303 WeakPolarHBondContact CA-OG 3.4Å; W299-S303 WeakPolarHBondContact CB-OG 3.35Å; W299-S303 PolarHBondContact N-OG 2.81Å; W299-S303 PolarHBondContact O-N 3.34Å; W299-W372 AromaticContact CH2-CD2 3.61Å; W299-W372 HydrophobicContact CH2-CD2 3.61Å; W299-W372 AromaticContact CH2-CE3 3.18Å; W299-W372 HydrophobicContact CH2-CE3 3.18Å; W299-W372 HydrophobicContact CH2-CG 4.34Å; W299-W372 AromaticContact CH2-CH2 3.91Å; W299-W372 HydrophobicContact CH2-CH2 3.91Å; W299-W372 HydrophobicContact CH2-CZ2 4.28Å; W299-W372 AromaticContact CH2-CZ3 3.35Å; W299-W372 HydrophobicContact CH2-CZ3 3.35Å; W299-W372 HydrophobicContact CZ2-CD2 4.47Å; W299-W372 AromaticContact CZ2-CE3 3.73Å; W299-W372 HydrophobicContact CZ2-CE3 3.73Å; W299-W372 AromaticContact CZ2-CH2 3.85Å; W299-W372 HydrophobicContact CZ2-CH2 3.85Å; W299-W372 AromaticContact CZ2-CZ3 3.37Å; W299-W372 HydrophobicContact CZ2-CZ3 3.37Å; W299-W372 HydrophobicContact CZ3-CD2 4.34Å; W299-W372 HydrophobicContact CZ3-CE3 4.02Å; W299-W372 HydrophobicContact CZ3-CZ3 4.5Å
300	H	98.4	Very high	98.6	Very high	20 Å²	20	35 Å²	35	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	53.3	-129.6	168.7	-43.6	95	0	0	0	111.7	W180 Q181 M185 E296 A297 E302 S303 H304	W180-H300 AromaticContact CH2-CE1 3.28Å; W180-H300 WeakPolarHBondContact CH2-CE1 3.25Å; W180-H300 AromaticContact CH2-ND1 3.7Å; W180-H300 AromaticContact CZ2-CE1 3.88Å; W180-H300 AromaticContact CZ3-CE1 3.96Å; W180-H300 AromaticContact CZ3-ND1 3.97Å; Q181-H300 VanDerWaalsContact CG-CD2 3.43Å; Q181-H300 WeakPolarHBondContact CG-CD2 3.47Å; Q181-H300 WeakPolarHBondContact CG-NE2 3.44Å; M185-H300 HydrophobicContact CG-CB 3.7Å; M185-H300 HydrophobicContact SD-CB 4.08Å; E296-H300 IonicContact OE1-CD2 3.75Å; E296-H300 PolarHBondContact OE1-CD2 3.08Å; E296-H300 IonicContact OE1-NE2 3.38Å; A297-H300 PolarHBondContact O-N 2.61Å; H300-E302 VanDerWaalsContact C-N 3.3Å; H300-E302 PolarHBondContact O-N 3.02Å; H300-S303 WeakPolarHBondContact O-CB 3.47Å; H300-S303 PolarHBondContact O-N 2.73Å; H300-H304 PolarHBondContact O-CD2 3.44Å; H300-H304 VanDerWaalsContact O-CD2 3.27Å
301	D	98.1	Very high	98.6	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-30.8	178.1	50.8	-60.5	0	0	0	114.2	S184 R187 M188 M287 W299 S303 H304 L305	S184-D301 WeakPolarHBondContact CB-OD1 3.26Å; S184-D301 PolarHBondContact OG-OD1 2.85Å; S184-D301 PolarHBondContact OG-OD2 2.98Å; R187-D301 IonicContact CZ-OD2 3.76Å; R187-D301 IonicContact NE-OD2 2.63Å; R187-D301 IonicContact NH2-OD2 3.81Å; R187-D301 PolarHBondContact NH2-OD2 3.5Å; M188-D301 HydrophobicContact CE-CB 3.92Å; M188-D301 HydrophobicContact CG-CB 4.28Å; M287-D301 HydrophobicContact SD-CB 4.28Å; W299-D301 PolarHBondContact O-N 2.83Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 3.47Å; D301-H304 PolarHBondContact O-N 2.98Å; D301-L305 WeakPolarHBondContact O-CB 3.41Å; D301-L305 PolarHBondContact O-N 3.29Å
302	E	98.8	Very high	98.6	Very high	22 Å²	22	40 Å²	40	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-34.8	176.6	-178.4	174.3	94.3	0	0	111.8	H232 Y263 L265 G266 W299 H300 L305 N306	H232-E302 IonicContact CD2-OE2 3.18Å; Y263-E302 WeakPolarHBondContact CE1-OE1 3.15Å; Y263-E302 VanDerWaalsContact CZ-OE1 3.22Å; Y263-E302 PolarHBondContact OH-OE1 3.22Å; L265-E302 WeakPolarHBondContact CA-OE2 3.24Å; G266-E302 PolarHBondContact N-OE2 3.41Å; W299-E302 HydrophobicContact CB-CB 4.24Å; W299-E302 WeakPolarHBondContact O-CB 3.23Å; W299-E302 PolarHBondContact O-N 2.86Å; H300-E302 VanDerWaalsContact C-N 3.3Å; H300-E302 PolarHBondContact O-N 3.02Å; E302-L305 PolarHBondContact O-N 3.35Å; E302-N306 PolarHBondContact O-N 2.99Å; E302-N306 PolarHBondContact O-ND2 3.38Å
303	S	98.8	Very high	98.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-64.2	-44	175.1	-64	0	0	0	0	111.5	W299 H300 D301 N306 K307	W299-S303 WeakPolarHBondContact CA-OG 3.4Å; W299-S303 WeakPolarHBondContact CB-OG 3.35Å; W299-S303 PolarHBondContact N-OG 2.81Å; W299-S303 PolarHBondContact O-N 3.34Å; H300-S303 WeakPolarHBondContact O-CB 3.47Å; H300-S303 PolarHBondContact O-N 2.73Å; D301-S303 VanDerWaalsContact C-N 3.29Å; D301-S303 PolarHBondContact O-N 3.47Å; S303-N306 PolarHBondContact O-N 3.17Å; S303-K307 PolarHBondContact O-N 3.38Å; S303-K307 VanDerWaalsContact O-N 3.15Å
304	H	98.9	Very high	98.6	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.023	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-37.6	176.9	-66.6	-81.8	0	0	0	112.2	C283 A286 M287 D290 H300 D301 N306 K307 Y308	C283-H304 HydrophobicContact CB-CB 4.14Å; A286-H304 WeakPolarHBondContact CB-ND1 3.47Å; M287-H304 WeakPolarHBondContact CG-CD2 3.43Å; M287-H304 VanDerWaalsContact CG-NE2 3.32Å; M287-H304 WeakPolarHBondContact CG-NE2 3.37Å; D290-H304 IonicContact OD2-CE1 3.54Å; D290-H304 PolarHBondContact OD2-CE1 3.23Å; D290-H304 VanDerWaalsContact OD2-CE1 3.28Å; D290-H304 IonicContact OD2-NE2 3.95Å; H300-H304 PolarHBondContact O-CD2 3.44Å; H300-H304 VanDerWaalsContact O-CD2 3.27Å; D301-H304 PolarHBondContact O-N 2.98Å; H304-N306 PolarHBondContact O-N 3.47Å; H304-K307 PolarHBondContact O-N 3.04Å; H304-Y308 PolarHBondContact O-N 3.38Å
305	L	98.9	Very high	98.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-57.6	-49	173.6	174	65.6	0	0	0	111.3	L265 F269 L279 D301 E302 K307 Y308 L309	L265-L305 WeakPolarHBondContact O-CD2 3.11Å; F269-L305 HydrophobicContact CB-CD1 4.45Å; F269-L305 HydrophobicContact CD1-CD2 4.27Å; F269-L305 HydrophobicContact CG-CD1 4.43Å; L279-L305 HydrophobicContact CD1-CD1 3.74Å; L279-L305 HydrophobicContact CD2-CD1 4.06Å; L279-L305 HydrophobicContact CG-CD1 4.28Å; D301-L305 WeakPolarHBondContact O-CB 3.41Å; D301-L305 PolarHBondContact O-N 3.29Å; E302-L305 PolarHBondContact O-N 3.35Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 3.17Å; L305-Y308 PolarHBondContact O-N 3.07Å; L305-Y308 VanDerWaalsContact O-N 3.15Å; L305-L309 HydrophobicContact CD1-CD1 3.81Å; L305-L309 HydrophobicContact CD1-CG 4.02Å; L305-L309 HydrophobicContact CG-CD1 4.04Å; L305-L309 WeakPolarHBondContact O-CG 3.48Å; L305-L309 PolarHBondContact O-N 3.31Å
306	N	98.9	Very high	98.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-41.5	178.8	-84.9	-79.7	0	0	0	111.9	Y245 I255 Y264 E302 S303 H304 Y308 L309 L310	Y245-N306 HydrophobicContact CD1-CB 3.83Å; Y245-N306 HydrophobicContact CE1-CB 3.69Å; Y245-N306 WeakPolarHBondContact CE1-OD1 3.18Å; I255-N306 HydrophobicContact CD1-CB 4.25Å; Y264-N306 WeakPolarHBondContact CD2-OD1 3.34Å; Y264-N306 PolarHBondContact N-OD1 2.81Å; Y264-N306 PolarHBondContact O-ND2 3.23Å; E302-N306 PolarHBondContact O-N 2.99Å; E302-N306 PolarHBondContact O-ND2 3.38Å; S303-N306 PolarHBondContact O-N 3.17Å; H304-N306 PolarHBondContact O-N 3.47Å; N306-Y308 VanDerWaalsContact C-N 3.35Å; N306-L309 PolarHBondContact O-N 2.92Å; N306-L310 WeakPolarHBondContact O-CB 3.41Å; N306-L310 PolarHBondContact O-N 2.88Å
307	K	98.9	Very high	98.7	Very high	50 Å²	50	31.5 Å²	31.5	22%	0.217	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-43.5	173.7	175.6	58.2	165.8	-76.3	0	111.9	Q252 Y254 I255 S303 H304 L305 R311	Q252-K307 PolarHBondContact O-NZ 3.44Å; Y254-K307 PolarHBondContact O-NZ 3.06Å; I255-K307 HydrophobicContact CD1-CB 4.45Å; I255-K307 HydrophobicContact CG1-CD 4.22Å; S303-K307 PolarHBondContact O-N 3.38Å; S303-K307 VanDerWaalsContact O-N 3.15Å; H304-K307 PolarHBondContact O-N 3.04Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 3.17Å; K307-R311 HydrophobicContact CD-CG 4.42Å; K307-R311 PolarHBondContact O-N 2.79Å
308	Y	98.9	Very high	98.7	Very high	20 Å²	20	31.4 Å²	31.4	8%	0.078	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-50.4	178.4	-175.6	-89.3	0	0	0	111.1	L227 L279 A282 H304 L305 N306 L310 R311 H312	L227-Y308 HydrophobicContact CD2-CE1 4.04Å; L279-Y308 VanDerWaalsContact CA-CZ 3.46Å; L279-Y308 HydrophobicContact CB-CD1 3.96Å; L279-Y308 HydrophobicContact CB-CE1 3.58Å; L279-Y308 HydrophobicContact CB-CE2 4.42Å; L279-Y308 HydrophobicContact CD1-CD1 3.72Å; L279-Y308 HydrophobicContact CD1-CE1 3.9Å; L279-Y308 HydrophobicContact CG-CD1 3.62Å; L279-Y308 HydrophobicContact CG-CE1 3.79Å; L279-Y308 HydrophobicContact CG-CG 4.12Å; L279-Y308 PolarHBondContact N-OH 3.02Å; A282-Y308 HydrophobicContact CB-CD2 3.71Å; A282-Y308 HydrophobicContact CB-CE2 3.67Å; H304-Y308 PolarHBondContact O-N 3.38Å; L305-Y308 PolarHBondContact O-N 3.07Å; L305-Y308 VanDerWaalsContact O-N 3.15Å; N306-Y308 VanDerWaalsContact C-N 3.35Å; Y308-L310 VanDerWaalsContact C-N 3.32Å; Y308-L310 PolarHBondContact O-N 2.88Å; Y308-R311 CarbonylContact O-C 3.59Å; Y308-R311 PolarHBondContact O-N 3.23Å; Y308-H312 HydrophobicContact CD1-CB 4.16Å; Y308-H312 AromaticContact CD2-CE1 3.97Å; Y308-H312 AromaticContact CD2-ND1 3.57Å; Y308-H312 HydrophobicContact CE1-CB 3.72Å; Y308-H312 AromaticContact CE1-CG 3.98Å; Y308-H312 AromaticContact CE2-CE1 3.74Å; Y308-H312 AromaticContact CE2-CG 3.99Å; Y308-H312 AromaticContact CE2-ND1 3.48Å; Y308-H312 WeakPolarHBondContact CE2-ND1 3.4Å; Y308-H312 AromaticContact CG-ND1 3.89Å; Y308-H312 AromaticContact CZ-CG 3.76Å; Y308-H312 AromaticContact CZ-ND1 3.71Å; Y308-H312 WeakPolarHBondContact O-CB 3.34Å; Y308-H312 PolarHBondContact O-N 3.31Å; Y308-H312 PolarHBondContact O-ND1 2.9Å; Y308-H312 VanDerWaalsContact O-ND1 3.08Å
309	L	98.9	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.5	-27.1	-177.5	-67	179.2	0	0	0	113.6	L227 Y264 L279 L305 N306 R311 H312 P314	L227-L309 HydrophobicContact CD1-CD2 4.32Å; L227-L309 HydrophobicContact CD2-CD2 3.87Å; L227-L309 HydrophobicContact CG-CD2 4.13Å; Y264-L309 HydrophobicContact CD1-CD1 4.03Å; Y264-L309 HydrophobicContact CD2-CB 3.77Å; Y264-L309 HydrophobicContact CD2-CD1 3.62Å; Y264-L309 HydrophobicContact CD2-CG 4.36Å; Y264-L309 HydrophobicContact CE1-CD1 4.48Å; Y264-L309 HydrophobicContact CE2-CB 3.67Å; Y264-L309 HydrophobicContact CE2-CD1 4.11Å; Y264-L309 HydrophobicContact CG-CD1 3.55Å; L279-L309 HydrophobicContact CD1-CD2 4.22Å; L305-L309 HydrophobicContact CD1-CD1 3.81Å; L305-L309 HydrophobicContact CD1-CG 4.02Å; L305-L309 HydrophobicContact CG-CD1 4.04Å; L305-L309 WeakPolarHBondContact O-CG 3.48Å; L305-L309 PolarHBondContact O-N 3.31Å; N306-L309 PolarHBondContact O-N 2.92Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 3.11Å; L309-H312 WeakPolarHBondContact CA-O 3.13Å; L309-H312 CarbonylContact O-C 3.52Å; L309-P314 HydrophobicContact CD2-CB 4.2Å; L309-P314 HydrophobicContact CD2-CG 4.45Å
310	L	98.8	Very high	98.8	Very high	12 Å²	12	25.1 Å²	25.1	6%	0.063	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-38.7	169.5	175.9	62.6	0	0	0	111.5	I255 E259 N306 Y308 K313	I255-L310 HydrophobicContact CB-CD2 4.44Å; I255-L310 HydrophobicContact CD1-CD2 3.98Å; I255-L310 HydrophobicContact CG1-CD2 3.91Å; I255-L310 HydrophobicContact CG2-CD2 3.72Å; E259-L310 HydrophobicContact CB-CD2 4.3Å; N306-L310 WeakPolarHBondContact O-CB 3.41Å; N306-L310 PolarHBondContact O-N 2.88Å; Y308-L310 VanDerWaalsContact C-N 3.32Å; Y308-L310 PolarHBondContact O-N 2.88Å; L310-K313 WeakPolarHBondContact O-CE 3.48Å; L310-K313 PolarHBondContact O-NZ 3.12Å
311	R	98.8	Very high	98.8	Very high	132 Å²	132	24.2 Å²	24.2	50%	0.498	11%	0.108	S	C	.	.	H	α-helix	trans	-91.2	-24.1	-177.7	-61.3	-58.6	-174.9	-141.7	-4.7	113.4	E259 K307 Y308 L309	E259-R311 IonicContact OE1-NH2 3.41Å; E259-R311 PolarHBondContact OE1-NH2 3.21Å; E259-R311 IonicContact OE2-CZ 3.8Å; E259-R311 IonicContact OE2-NH1 2.74Å; E259-R311 PolarHBondContact OE2-NH1 2.82Å; E259-R311 IonicContact OE2-NH2 2.8Å; E259-R311 PolarHBondContact OE2-NH2 3.18Å; K307-R311 HydrophobicContact CD-CG 4.42Å; K307-R311 PolarHBondContact O-N 2.79Å; Y308-R311 CarbonylContact O-C 3.59Å; Y308-R311 PolarHBondContact O-N 3.23Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 3.11Å
312	H	98.8	Very high	98.8	Very high	93 Å²	93	24 Å²	24	43%	0.431	11%	0.107	S	C	.	.	S	Bend	trans	-127.1	89.7	179.3	-51.8	88.7	0	0	0	108.1	Y308 L309	Y308-H312 HydrophobicContact CD1-CB 4.16Å; Y308-H312 AromaticContact CD2-CE1 3.97Å; Y308-H312 AromaticContact CD2-ND1 3.57Å; Y308-H312 HydrophobicContact CE1-CB 3.72Å; Y308-H312 AromaticContact CE1-CG 3.98Å; Y308-H312 AromaticContact CE2-CE1 3.74Å; Y308-H312 AromaticContact CE2-CG 3.99Å; Y308-H312 AromaticContact CE2-ND1 3.48Å; Y308-H312 WeakPolarHBondContact CE2-ND1 3.4Å; Y308-H312 AromaticContact CG-ND1 3.89Å; Y308-H312 AromaticContact CZ-CG 3.76Å; Y308-H312 AromaticContact CZ-ND1 3.71Å; Y308-H312 WeakPolarHBondContact O-CB 3.34Å; Y308-H312 PolarHBondContact O-N 3.31Å; Y308-H312 PolarHBondContact O-ND1 2.9Å; Y308-H312 VanDerWaalsContact O-ND1 3.08Å; L309-H312 WeakPolarHBondContact CA-O 3.13Å; L309-H312 CarbonylContact O-C 3.52Å
313	K	98.8	Very high	98.7	Very high	79 Å²	79	23 Å²	23	34%	0.343	10%	0.103	S	C	.	.			trans	-60	129.1	-170	-59	-53.4	-168.9	-169.2	0	110.9	W89 D261 L310	W89-K313 HydrophobicContact CD2-CB 4.11Å; W89-K313 HydrophobicContact CD2-CD 4.3Å; W89-K313 HydrophobicContact CD2-CG 4.19Å; W89-K313 HydrophobicContact CE3-CD 4.27Å; W89-K313 HydrophobicContact CG-CB 4.05Å; W89-K313 HydrophobicContact CG-CG 4.25Å; W89-K313 HydrophobicContact CZ3-CD 4.4Å; D261-K313 IonicContact OD1-NZ 3.43Å; D261-K313 PolarHBondContact OD1-NZ 2.9Å; D261-K313 IonicContact OD2-NZ 2.82Å; D261-K313 PolarHBondContact OD2-NZ 3.5Å; L310-K313 WeakPolarHBondContact O-CE 3.48Å; L310-K313 PolarHBondContact O-NZ 3.12Å
314	P	98.8	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.103	C	C	.	.			trans	-68.2	140.6	177.5	29.1	-34.9	0	0	0	110.6	W89 A91 L227 Y264 L309 K316 V317	W89-P314 HydrophobicContact CZ2-CG 4.1Å; W89-P314 PolarHBondContact NE1-O 3.48Å; A91-P314 VanDerWaalsContact CB-O 3.23Å; A91-P314 WeakPolarHBondContact CB-O 3.41Å; L227-P314 HydrophobicContact CG-CB 4.38Å; L227-P314 CarbonylContact O-C 3.55Å; Y264-P314 HydrophobicContact CE1-CG 4.23Å; L309-P314 HydrophobicContact CD2-CB 4.2Å; L309-P314 HydrophobicContact CD2-CG 4.45Å; P314-K316 VanDerWaalsContact C-N 3.33Å; P314-K316 WeakPolarHBondContact CB-O 3.37Å; P314-V317 HydrophobicContact CG-CG2 3.76Å
315	T	98.7	Very high	98.6	Very high	56 Å²	56	23.6 Å²	23.6	34%	0.344	11%	0.106	S	C	.	.	S	Bend	trans	-76.7	-16.3	179.4	53.8	0	0	0	0	114.1	A91 P92 T225 P226 L227	A91-T315 VanDerWaalsContact CB-O 3.29Å; A91-T315 WeakPolarHBondContact CB-O 3.33Å; P92-T315 WeakPolarHBondContact CD-O 3.23Å; T225-T315 WeakPolarHBondContact CB-OG1 3.5Å; T225-T315 VanDerWaalsContact CG2-OG1 3.25Å; T225-T315 WeakPolarHBondContact CG2-OG1 3.29Å; T225-T315 WeakPolarHBondContact OG1-CB 3.23Å; T225-T315 PolarHBondContact OG1-OG1 3.17Å; P226-T315 HydrophobicContact CB-CG2 4.28Å; P226-T315 WeakPolarHBondContact CD-OG1 3.36Å; P226-T315 HydrophobicContact CG-CG2 4.46Å; L227-T315 PolarHBondContact N-OG1 3.25Å; L227-T315 PolarHBondContact O-N 3.03Å; L227-T315 PolarHBondContact O-OG1 3.33Å
316	K	98.9	Very high	98.5	Very high	33 Å²	33	27.1 Å²	27.1	14%	0.143	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.1	160.8	-63.6	-174.1	177.9	166.6	0	109.2	P92 V94 E222 L224 T225 L227 F228 P314	P92-K316 HydrophobicContact CG-CB 4.47Å; P92-K316 HydrophobicContact CG-CD 4.35Å; P92-K316 HydrophobicContact CG-CG 3.8Å; V94-K316 HydrophobicContact CG2-CB 4.41Å; V94-K316 HydrophobicContact CG2-CD 4.18Å; E222-K316 WeakPolarHBondContact O-CD 3.47Å; E222-K316 PolarHBondContact O-NZ 3.18Å; L224-K316 WeakPolarHBondContact O-CE 3.48Å; L224-K316 PolarHBondContact O-NZ 3.37Å; T225-K316 HydrophobicContact CG2-CB 3.7Å; T225-K316 HydrophobicContact CG2-CD 3.99Å; T225-K316 HydrophobicContact CG2-CG 3.65Å; L227-K316 PolarHBondContact O-N 2.75Å; F228-K316 VanDerWaalsContact CA-O 3.23Å; F228-K316 WeakPolarHBondContact CA-O 3.43Å; F228-K316 HydrophobicContact CB-CB 4.28Å; F228-K316 VanDerWaalsContact CB-O 3.28Å; F228-K316 WeakPolarHBondContact CB-O 3.29Å; P314-K316 VanDerWaalsContact C-N 3.33Å; P314-K316 WeakPolarHBondContact CB-O 3.37Å
317	V	98.9	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.7	170.2	177.5	0	0	0	0	108.2	T87 W89 P92 I93 V94 G229 L231 Y264 P314	T87-V317 HydrophobicContact CG2-CB 4.45Å; T87-V317 HydrophobicContact CG2-CG2 3.86Å; W89-V317 HydrophobicContact CZ2-CG2 4.19Å; P92-V317 PolarHBondContact O-N 2.63Å; I93-V317 CarbonylContact C-O 3.59Å; I93-V317 WeakPolarHBondContact CA-O 3.16Å; I93-V317 HydrophobicContact CG1-CB 4.25Å; I93-V317 HydrophobicContact CG2-CB 4.35Å; I93-V317 HydrophobicContact CG2-CG1 4.26Å; V94-V317 PolarHBondContact N-O 3.28Å; G229-V317 CarbonylContact O-C 3.44Å; G229-V317 WeakPolarHBondContact O-CA 3.39Å; L231-V317 HydrophobicContact CD1-CG1 4.35Å; L231-V317 HydrophobicContact CD2-CG1 3.71Å; L231-V317 HydrophobicContact CG-CG1 3.67Å; Y264-V317 HydrophobicContact CE1-CG1 4.03Å; Y264-V317 HydrophobicContact CE1-CG2 4.09Å; P314-V317 HydrophobicContact CG-CG2 3.76Å
318	L	98.9	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.2	176.3	-52	-171.9	0	0	0	109.9	V94 I223 F228 G229 T230 L231 F268 Y322	V94-L318 HydrophobicContact CB-CD2 3.92Å; V94-L318 HydrophobicContact CG2-CD2 3.76Å; I223-L318 HydrophobicContact CB-CD1 3.98Å; I223-L318 HydrophobicContact CB-CD2 3.78Å; I223-L318 HydrophobicContact CG2-CD1 3.9Å; I223-L318 HydrophobicContact CG2-CD2 3.79Å; F228-L318 HydrophobicContact CD2-CD1 3.66Å; F228-L318 HydrophobicContact CD2-CG 3.83Å; F228-L318 HydrophobicContact CE2-CD1 3.63Å; F228-L318 HydrophobicContact CE2-CG 4.33Å; G229-L318 PolarHBondContact O-N 2.96Å; T230-L318 HydrophobicContact CG2-CB 3.97Å; L231-L318 WeakPolarHBondContact CG-O 3.11Å; L231-L318 PolarHBondContact N-O 3.32Å; F268-L318 HydrophobicContact CD1-CD1 4.3Å; F268-L318 HydrophobicContact CE1-CD1 3.9Å; F268-L318 HydrophobicContact CZ-CD1 4.09Å; L318-Y322 HydrophobicContact CB-CD2 3.97Å; L318-Y322 HydrophobicContact CB-CG 4.04Å; L318-Y322 HydrophobicContact CD1-CD1 4.21Å; L318-Y322 HydrophobicContact CD1-CG 4.09Å
319	S	98.8	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.172	C	C	.	.			trans	-67.7	167.7	172.6	65.7	0	0	0	0	112	V94 W95 E321 Y322	V94-S319 WeakPolarHBondContact O-CB 3.1Å; V94-S319 PolarHBondContact O-N 3.07Å; V94-S319 VanDerWaalsContact O-N 3.16Å; V94-S319 PolarHBondContact O-OG 3.24Å; W95-S319 VanDerWaalsContact CE3-CB 3.45Å; S319-E321 PolarHBondContact O-N 2.52Å; S319-E321 WeakPolarHBondContact OG-CB 3.38Å; S319-E321 WeakPolarHBondContact OG-CG 3.43Å; S319-E321 PolarHBondContact OG-N 2.77Å; S319-Y322 PolarHBondContact O-N 3.41Å; S319-Y322 VanDerWaalsContact O-N 3.08Å
320	P	98.5	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.7	-7.2	173.1	-20.1	33	0	0	0	114.4	W95 L231 P233 Y236 Y322 L323 W324 L335	W95-P320 HydrophobicContact CH2-CG 4.38Å; L231-P320 HydrophobicContact CB-CG 4.1Å; P233-P320 HydrophobicContact CB-CB 4.28Å; Y236-P320 HydrophobicContact CD1-CB 4.37Å; Y236-P320 HydrophobicContact CD1-CG 3.69Å; Y236-P320 HydrophobicContact CD2-CG 4.15Å; Y236-P320 HydrophobicContact CE1-CG 4.4Å; Y236-P320 HydrophobicContact CG-CG 3.54Å; P320-Y322 PolarHBondContact O-N 3.45Å; P320-L323 CarbonylContact O-C 3.39Å; P320-L323 VanDerWaalsContact O-C 3.31Å; P320-L323 PolarHBondContact O-N 2.73Å; P320-W324 HydrophobicContact CB-CE3 3.58Å; P320-W324 HydrophobicContact CB-CZ3 3.62Å; P320-L335 HydrophobicContact CB-CD2 4.09Å
321	E	98.7	Very high	97.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.8	169.5	-59.9	-179.1	172.7	0	0	111.4	R81 W95 E96 S319 L335 K337 R339	R81-E321 IonicContact NH1-OE1 3.3Å; W95-E321 HydrophobicContact CE3-CG 4.11Å; W95-E321 HydrophobicContact CZ3-CG 4.4Å; E96-E321 WeakPolarHBondContact CB-OE1 3.27Å; E96-E321 WeakPolarHBondContact CB-OE2 3.38Å; E96-E321 PolarHBondContact N-OE1 2.97Å; E96-E321 PolarHBondContact N-OE2 3.41Å; S319-E321 PolarHBondContact O-N 2.52Å; S319-E321 WeakPolarHBondContact OG-CB 3.38Å; S319-E321 WeakPolarHBondContact OG-CG 3.43Å; S319-E321 PolarHBondContact OG-N 2.77Å; E321-L335 HydrophobicContact CG-CD2 3.82Å; E321-K337 WeakPolarHBondContact CB-O 3.45Å; E321-K337 WeakPolarHBondContact CG-O 3.39Å; E321-R339 HydrophobicContact CB-CG 4.28Å; E321-R339 WeakPolarHBondContact O-CA 3.29Å; E321-R339 VanDerWaalsContact O-CB 3.23Å; E321-R339 WeakPolarHBondContact O-CB 3.21Å; E321-R339 WeakPolarHBondContact O-CG 3.45Å; E321-R339 PolarHBondContact O-N 2.75Å; E321-R339 IonicContact OE2-CZ 2.93Å; E321-R339 IonicContact OE2-NE 3.8Å; E321-R339 PolarHBondContact OE2-NE 3.46Å; E321-R339 VanDerWaalsContact OE2-NE 3.12Å; E321-R339 IonicContact OE2-NH2 2.73Å; E321-R339 PolarHBondContact OE2-NH2 3.33Å
322	Y	98.8	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-90.4	-5	-176.9	-68.6	-91.6	0	0	0	114	V94 V219 E222 I223 F268 L318 S319 P320 R339 F340	V94-Y322 HydrophobicContact CB-CE2 4.2Å; V94-Y322 HydrophobicContact CG1-CE2 3.8Å; V94-Y322 WeakPolarHBondContact CG1-OH 3.37Å; V219-Y322 HydrophobicContact CG1-CD1 4.17Å; V219-Y322 HydrophobicContact CG1-CE1 4.26Å; V219-Y322 HydrophobicContact CG2-CD1 4.15Å; V219-Y322 HydrophobicContact CG2-CE1 4.36Å; E222-Y322 WeakPolarHBondContact CG-OH 3.25Å; E222-Y322 WeakPolarHBondContact OE1-CE1 3.4Å; E222-Y322 PolarHBondContact OE1-OH 2.99Å; I223-Y322 HydrophobicContact CG2-CD1 3.82Å; I223-Y322 HydrophobicContact CG2-CE1 3.35Å; F268-Y322 WeakPolarHBondContact CD2-O 3.32Å; F268-Y322 VanDerWaalsContact CE2-O 3.25Å; F268-Y322 WeakPolarHBondContact CE2-O 3.49Å; L318-Y322 HydrophobicContact CB-CD2 3.97Å; L318-Y322 HydrophobicContact CB-CG 4.04Å; L318-Y322 HydrophobicContact CD1-CD1 4.21Å; L318-Y322 HydrophobicContact CD1-CG 4.09Å; S319-Y322 PolarHBondContact O-N 3.41Å; S319-Y322 VanDerWaalsContact O-N 3.08Å; P320-Y322 PolarHBondContact O-N 3.45Å; Y322-R339 VanDerWaalsContact CE1-CD 3.43Å; Y322-R339 VanDerWaalsContact CZ-CD 3.42Å; Y322-F340 WeakPolarHBondContact O-CB 3.48Å; Y322-F340 WeakPolarHBondContact O-CD1 3.26Å
323	L	97.1	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-159.8	113.1	166.1	-166.9	159.4	0	0	0	109.1	M213 T230 P233 L265 F268 P320 F340	M213-L323 HydrophobicContact CE-CD1 3.7Å; M213-L323 HydrophobicContact CE-CD2 3.83Å; M213-L323 HydrophobicContact CE-CG 3.78Å; M213-L323 HydrophobicContact SD-CG 4.5Å; T230-L323 HydrophobicContact CG2-CB 4.12Å; P233-L323 HydrophobicContact CG-CD2 4.1Å; L265-L323 HydrophobicContact CD1-CD1 3.73Å; L265-L323 HydrophobicContact CD1-CD2 3.37Å; L265-L323 HydrophobicContact CD1-CG 4.04Å; L265-L323 HydrophobicContact CD2-CD1 3.36Å; L265-L323 HydrophobicContact CD2-CD2 4.38Å; L265-L323 HydrophobicContact CD2-CG 4.47Å; L265-L323 HydrophobicContact CG-CD1 4.07Å; F268-L323 HydrophobicContact CB-CD1 3.88Å; P320-L323 CarbonylContact O-C 3.39Å; P320-L323 VanDerWaalsContact O-C 3.31Å; P320-L323 PolarHBondContact O-N 2.73Å; L323-F340 CarbonylContact C-O 3.53Å; L323-F340 VanDerWaalsContact CA-O 3.29Å; L323-F340 WeakPolarHBondContact CA-O 3.49Å; L323-F340 HydrophobicContact CG-CD1 4.36Å
324	W	98.2	Very high	97.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-138.6	157.9	-173.1	-165.6	-105.5	0	0	0	113.8	P233 Y236 P320 L329 G330 P332 L335 L338 F340 T341 A342	P233-W324 HydrophobicContact CB-CD2 4.2Å; P233-W324 HydrophobicContact CB-CE3 3.28Å; P233-W324 HydrophobicContact CB-CH2 4.38Å; P233-W324 HydrophobicContact CB-CZ3 3.39Å; Y236-W324 HydrophobicContact CD1-CZ3 4.27Å; Y236-W324 AromaticContact CE1-CH2 3.74Å; Y236-W324 HydrophobicContact CE1-CH2 3.74Å; Y236-W324 AromaticContact CE1-CZ3 3.69Å; Y236-W324 HydrophobicContact CE1-CZ3 3.69Å; P320-W324 HydrophobicContact CB-CE3 3.58Å; P320-W324 HydrophobicContact CB-CZ3 3.62Å; W324-L329 HydrophobicContact CE3-CD1 4.44Å; W324-L329 HydrophobicContact CH2-CB 3.84Å; W324-L329 HydrophobicContact CH2-CD1 3.9Å; W324-L329 HydrophobicContact CH2-CG 4.49Å; W324-L329 HydrophobicContact CZ2-CB 3.29Å; W324-L329 HydrophobicContact CZ2-CD1 4.05Å; W324-L329 HydrophobicContact CZ2-CG 4.31Å; W324-L329 HydrophobicContact CZ3-CD1 4.11Å; W324-G330 PolarHBondContact NE1-O 2.9Å; W324-P332 HydrophobicContact CH2-CG 4.1Å; W324-P332 VanDerWaalsContact CZ2-CD 3.42Å; W324-P332 HydrophobicContact CZ2-CG 3.77Å; W324-L335 HydrophobicContact CD2-CD1 3.36Å; W324-L335 HydrophobicContact CE3-CD1 3.45Å; W324-L335 VanDerWaalsContact CE3-CD1 3.45Å; W324-L335 HydrophobicContact CG-CD1 4.09Å; W324-L335 HydrophobicContact CH2-CD1 3.64Å; W324-L335 HydrophobicContact CZ2-CD1 3.52Å; W324-L335 HydrophobicContact CZ3-CD1 3.6Å; W324-L338 HydrophobicContact CB-CD2 4.11Å; W324-L338 VanDerWaalsContact CD1-CD2 3.48Å; W324-L338 HydrophobicContact CD2-CD2 4.31Å; W324-L338 HydrophobicContact CG-CD2 3.69Å; W324-F340 PolarHBondContact N-O 3.26Å; W324-T341 HydrophobicContact CB-CG2 4.3Å; W324-T341 CarbonylContact O-C 3.55Å; W324-T341 WeakPolarHBondContact O-CA 3.3Å; W324-A342 PolarHBondContact O-N 3.38Å
325	D	97.3	Very high	97.6	Very high	17 Å²	17	38.9 Å²	38.9	9%	0.091	22%	0.215	C	C	.	.			trans	-126.2	103.5	168.6	-165.6	-46.9	0	0	0	110.4	Q327 L328 L329 A342 F373	D325-Q327 VanDerWaalsContact C-N 3.28Å; D325-Q327 PolarHBondContact O-N 2.94Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.46Å; D325-Q327 VanDerWaalsContact OD1-CB 3.32Å; D325-Q327 WeakPolarHBondContact OD1-CB 3.2Å; D325-Q327 PolarHBondContact OD1-N 3.43Å; D325-L328 HydrophobicContact CB-CB 4.23Å; D325-L328 HydrophobicContact CB-CD1 4.32Å; D325-L328 HydrophobicContact CB-CG 4.43Å; D325-L328 WeakPolarHBondContact OD1-CG 3.24Å; D325-L328 PolarHBondContact OD1-N 2.73Å; D325-L328 VanDerWaalsContact OD2-CD1 3.24Å; D325-L328 WeakPolarHBondContact OD2-CD1 3.38Å; D325-L329 VanDerWaalsContact O-CB 3.32Å; D325-L329 WeakPolarHBondContact O-CB 3.43Å; D325-L329 PolarHBondContact O-N 3.39Å; D325-A342 HydrophobicContact CB-CB 4.27Å; D325-F373 HydrophobicContact CB-CE1 3.39Å; D325-F373 HydrophobicContact CB-CZ 3.23Å; D325-F373 WeakPolarHBondContact OD2-CE1 3.38Å
326	Q	96.2	Very high	97.6	Very high	74 Å²	74	42.4 Å²	42.4	35%	0.346	22%	0.223	S	C	.	.	H	α-helix	trans	-70.5	-29.3	-178.9	-166.7	-178.1	12.2	0	0	112.1	L328 G330 L338	Q326-L328 VanDerWaalsContact C-N 3.34Å; Q326-G330 VanDerWaalsContact O-CA 3.27Å; Q326-G330 WeakPolarHBondContact O-CA 3.32Å; Q326-G330 PolarHBondContact O-N 2.86Å; Q326-L338 HydrophobicContact CB-CD1 4.35Å; Q326-L338 HydrophobicContact CG-CD1 4.19Å
327	Q	94.3	Very high	97.6	Very high	142 Å²	142	43.2 Å²	43.2	66%	0.664	23%	0.226	S	C	*	.	H	α-helix	trans	-68	-39	-179.3	-177.4	178.3	2.1	0	0	110.8	D325	D325-Q327 VanDerWaalsContact C-N 3.28Å; D325-Q327 PolarHBondContact O-N 2.94Å; D325-Q327 WeakPolarHBondContact OD1-CA 3.46Å; D325-Q327 VanDerWaalsContact OD1-CB 3.32Å; D325-Q327 WeakPolarHBondContact OD1-CB 3.2Å; D325-Q327 PolarHBondContact OD1-N 3.43Å
328	L	94.1	Very high	97.5	Very high	71 Å²	71	43.6 Å²	43.6	37%	0.372	23%	0.228	S	C	.	.	H	α-helix	trans	-91.4	-35.3	-175.5	-60.9	177.9	0	0	0	113.7	D325 Q326 P371 F373	D325-L328 HydrophobicContact CB-CB 4.23Å; D325-L328 HydrophobicContact CB-CD1 4.32Å; D325-L328 HydrophobicContact CB-CG 4.43Å; D325-L328 WeakPolarHBondContact OD1-CG 3.24Å; D325-L328 PolarHBondContact OD1-N 2.73Å; D325-L328 VanDerWaalsContact OD2-CD1 3.24Å; D325-L328 WeakPolarHBondContact OD2-CD1 3.38Å; Q326-L328 VanDerWaalsContact C-N 3.34Å; L328-P371 HydrophobicContact CD1-CB 3.18Å; L328-P371 HydrophobicContact CD1-CG 4.12Å; L328-P371 HydrophobicContact CD2-CB 3.37Å; L328-P371 HydrophobicContact CD2-CG 3.53Å; L328-P371 HydrophobicContact CG-CB 3.82Å; L328-P371 HydrophobicContact CG-CG 4.32Å; L328-F373 HydrophobicContact CD1-CE2 4.41Å; L328-F373 HydrophobicContact CD1-CZ 4.07Å
329	L	96.8	Very high	97.5	Very high	61 Å²	61	43.6 Å²	43.6	32%	0.319	23%	0.228	S	C	.	.	H	α-helix	trans	-115.7	-0.5	-168.3	-55.2	170.7	0	0	0	112.7	P233 W324 D325	P233-L329 HydrophobicContact CB-CD1 3.59Å; P233-L329 HydrophobicContact CG-CD1 4.08Å; W324-L329 HydrophobicContact CE3-CD1 4.44Å; W324-L329 HydrophobicContact CH2-CB 3.84Å; W324-L329 HydrophobicContact CH2-CD1 3.9Å; W324-L329 HydrophobicContact CH2-CG 4.49Å; W324-L329 HydrophobicContact CZ2-CB 3.29Å; W324-L329 HydrophobicContact CZ2-CD1 4.05Å; W324-L329 HydrophobicContact CZ2-CG 4.31Å; W324-L329 HydrophobicContact CZ3-CD1 4.11Å; D325-L329 VanDerWaalsContact O-CB 3.32Å; D325-L329 WeakPolarHBondContact O-CB 3.43Å; D325-L329 PolarHBondContact O-N 3.39Å
330	G	97.4	Very high	97.5	Very high	33 Å²	33	43.6 Å²	43.6	34%	0.34	23%	0.228	S	C	.	.			trans	64.8	-148.5	-177.2	0	0	0	0	0	112.1	W324 Q326	W324-G330 PolarHBondContact NE1-O 2.9Å; Q326-G330 VanDerWaalsContact O-CA 3.27Å; Q326-G330 WeakPolarHBondContact O-CA 3.32Å; Q326-G330 PolarHBondContact O-N 2.86Å
331	W	98	Very high	97.5	Very high	145 Å²	145	43.7 Å²	43.7	55%	0.549	23%	0.228	S	C	.	.			trans	-131.6	86.4	173.3	-168.3	-18.8	0	0	0	110.1	L335 L338	W331-L335 PolarHBondContact NE1-O 2.78Å; W331-L338 HydrophobicContact CB-CD1 4.37Å; W331-L338 HydrophobicContact CD2-CD1 3.56Å; W331-L338 HydrophobicContact CD2-CG 3.84Å; W331-L338 HydrophobicContact CE3-CD1 3.72Å; W331-L338 HydrophobicContact CE3-CG 4.31Å; W331-L338 HydrophobicContact CG-CD1 3.86Å; W331-L338 HydrophobicContact CG-CD2 4.45Å; W331-L338 HydrophobicContact CG-CG 4.21Å; W331-L338 HydrophobicContact CH2-CG 4.46Å; W331-L338 HydrophobicContact CZ2-CD1 4.47Å; W331-L338 HydrophobicContact CZ2-CG 4.02Å; W331-L338 HydrophobicContact CZ3-CD1 4.24Å
332	P	97.4	Very high	97.4	Very high	40 Å²	40	44.1 Å²	44.1	26%	0.26	23%	0.232	S	C	.	.			trans	-64.6	146.6	178.3	-22.5	34.2	0	0	0	112.6	W324 V334 L335	W324-P332 HydrophobicContact CH2-CG 4.1Å; W324-P332 VanDerWaalsContact CZ2-CD 3.42Å; W324-P332 HydrophobicContact CZ2-CG 3.77Å; P332-V334 HydrophobicContact CB-CG1 4.2Å; P332-V334 PolarHBondContact O-N 3.4Å; P332-V334 VanDerWaalsContact O-N 3.08Å; P332-L335 PolarHBondContact O-N 3.5Å
333	A	96.8	Very high	97.3	Very high	104 Å²	104	45.2 Å²	45.2	86%	0.86	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.7	-176.8	0	0	0	0	0	114.9	L335	A333-L335 PolarHBondContact O-N 3.08Å
334	V	97.5	Very high	96.9	Very high	35 Å²	35	49.5 Å²	49.5	21%	0.212	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.9	176	69.4	0	0	0	0	112.4	R81 V84 W95 Y236 P332 R336	R81-V334 PolarHBondContact NH2-O 2.8Å; V84-V334 HydrophobicContact CG1-CG2 3.84Å; W95-V334 HydrophobicContact CH2-CG2 4.28Å; W95-V334 HydrophobicContact CZ3-CG2 4.09Å; Y236-V334 HydrophobicContact CE2-CG1 4.17Å; P332-V334 HydrophobicContact CB-CG1 4.2Å; P332-V334 PolarHBondContact O-N 3.4Å; P332-V334 VanDerWaalsContact O-N 3.08Å; V334-R336 PolarHBondContact O-N 3.01Å
335	L	98.1	Very high	96.3	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.275	C	S	.	.			trans	-90.1	103.5	176.2	-57.2	177	0	0	0	109.1	W95 P320 E321 W324 W331 P332 A333 K337 L338	W95-L335 HydrophobicContact CH2-CD2 4.42Å; W95-L335 HydrophobicContact CZ3-CD2 3.79Å; P320-L335 HydrophobicContact CB-CD2 4.09Å; E321-L335 HydrophobicContact CG-CD2 3.82Å; W324-L335 HydrophobicContact CD2-CD1 3.36Å; W324-L335 HydrophobicContact CE3-CD1 3.45Å; W324-L335 VanDerWaalsContact CE3-CD1 3.45Å; W324-L335 HydrophobicContact CG-CD1 4.09Å; W324-L335 HydrophobicContact CH2-CD1 3.64Å; W324-L335 HydrophobicContact CZ2-CD1 3.52Å; W324-L335 HydrophobicContact CZ3-CD1 3.6Å; W331-L335 PolarHBondContact NE1-O 2.78Å; P332-L335 PolarHBondContact O-N 3.5Å; A333-L335 PolarHBondContact O-N 3.08Å; L335-K337 VanDerWaalsContact C-N 3.27Å; L335-L338 HydrophobicContact CB-CD2 4.08Å; L335-L338 HydrophobicContact CD1-CD2 3.63Å; L335-L338 HydrophobicContact CG-CD2 4.48Å
336	R	98.4	Very high	95.9	Very high	131 Å²	131	55.4 Å²	55.4	49%	0.494	30%	0.297	S	S	.	.	S	Bend	trans	-75.1	-23.4	176.3	-62.8	-178.3	179	180	-0.2	112	E96 V334	E96-R336 HydrophobicContact CB-CB 3.91Å; E96-R336 HydrophobicContact CG-CB 3.98Å; V334-R336 PolarHBondContact O-N 3.01Å
337	K	98.6	Very high	95	Very high	50 Å²	50	54.5 Å²	54.5	22%	0.217	29%	0.292	C	S	.	.			trans	-139.4	147.2	179	-68.1	-175.2	167.3	-124.8	0	110.8	E96 D217 E321 L335 R339	E96-K337 HydrophobicContact CB-CD 4.47Å; E96-K337 HydrophobicContact CB-CG 4.49Å; E96-K337 HydrophobicContact CG-CD 4.03Å; E96-K337 HydrophobicContact CG-CG 4.19Å; E96-K337 WeakPolarHBondContact OE2-CD 3.49Å; D217-K337 VanDerWaalsContact CG-NZ 3.25Å; D217-K337 IonicContact OD1-NZ 2.76Å; D217-K337 PolarHBondContact OD1-NZ 3.05Å; D217-K337 WeakPolarHBondContact OD2-CD 3.4Å; D217-K337 WeakPolarHBondContact OD2-CE 3.42Å; D217-K337 WeakPolarHBondContact OD2-CG 3.32Å; D217-K337 IonicContact OD2-NZ 2.8Å; D217-K337 PolarHBondContact OD2-NZ 2.92Å; E321-K337 WeakPolarHBondContact CB-O 3.45Å; E321-K337 WeakPolarHBondContact CG-O 3.39Å; L335-K337 VanDerWaalsContact C-N 3.27Å; K337-R339 HydrophobicContact CB-CG 4.1Å
338	L	98.6	Very high	94.3	Very high	8 Å²	8	53 Å²	53	4%	0.042	29%	0.285	C	S	.	.			trans	-112.6	102	166.5	-57.9	-175.6	0	0	0	107	R216 W324 Q326 W331 L335 T341	R216-L338 WeakPolarHBondContact CB-O 3.47Å; W324-L338 HydrophobicContact CB-CD2 4.11Å; W324-L338 VanDerWaalsContact CD1-CD2 3.48Å; W324-L338 HydrophobicContact CD2-CD2 4.31Å; W324-L338 HydrophobicContact CG-CD2 3.69Å; Q326-L338 HydrophobicContact CB-CD1 4.35Å; Q326-L338 HydrophobicContact CG-CD1 4.19Å; W331-L338 HydrophobicContact CB-CD1 4.37Å; W331-L338 HydrophobicContact CD2-CD1 3.56Å; W331-L338 HydrophobicContact CD2-CG 3.84Å; W331-L338 HydrophobicContact CE3-CD1 3.72Å; W331-L338 HydrophobicContact CE3-CG 4.31Å; W331-L338 HydrophobicContact CG-CD1 3.86Å; W331-L338 HydrophobicContact CG-CD2 4.45Å; W331-L338 HydrophobicContact CG-CG 4.21Å; W331-L338 HydrophobicContact CH2-CG 4.46Å; W331-L338 HydrophobicContact CZ2-CD1 4.47Å; W331-L338 HydrophobicContact CZ2-CG 4.02Å; W331-L338 HydrophobicContact CZ3-CD1 4.24Å; L335-L338 HydrophobicContact CB-CD2 4.08Å; L335-L338 HydrophobicContact CD1-CD2 3.63Å; L335-L338 HydrophobicContact CG-CD2 4.48Å; L338-T341 HydrophobicContact CB-CG2 3.94Å
339	R	98.8	Very high	93.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.			trans	-92.4	-38.7	-166.5	-52.8	168.5	-176.6	-81.6	-0.2	112.4	E96 F215 R216 D217 H218 V219 E321 Y322 K337	E96-R339 IonicContact OE2-CZ 2.83Å; E96-R339 IonicContact OE2-NH1 3.21Å; E96-R339 IonicContact OE2-NH2 3.12Å; E96-R339 PolarHBondContact OE2-NH2 3.16Å; F215-R339 CarbonylContact C-O 3.58Å; F215-R339 WeakPolarHBondContact CA-O 3.36Å; R216-R339 PolarHBondContact N-O 2.95Å; D217-R339 HydrophobicContact CB-CB 4.42Å; D217-R339 HydrophobicContact CB-CG 4.28Å; D217-R339 PolarHBondContact N-O 2.91Å; H218-R339 WeakPolarHBondContact O-CD 3.32Å; H218-R339 PolarHBondContact O-NH1 3.17Å; V219-R339 HydrophobicContact CG2-CB 3.68Å; E321-R339 HydrophobicContact CB-CG 4.28Å; E321-R339 WeakPolarHBondContact O-CA 3.29Å; E321-R339 VanDerWaalsContact O-CB 3.23Å; E321-R339 WeakPolarHBondContact O-CB 3.21Å; E321-R339 WeakPolarHBondContact O-CG 3.45Å; E321-R339 PolarHBondContact O-N 2.75Å; E321-R339 IonicContact OE2-CZ 2.93Å; E321-R339 IonicContact OE2-NE 3.8Å; E321-R339 PolarHBondContact OE2-NE 3.46Å; E321-R339 VanDerWaalsContact OE2-NE 3.12Å; E321-R339 IonicContact OE2-NH2 2.73Å; E321-R339 PolarHBondContact OE2-NH2 3.33Å; Y322-R339 VanDerWaalsContact CE1-CD 3.43Å; Y322-R339 VanDerWaalsContact CZ-CD 3.42Å; K337-R339 HydrophobicContact CB-CG 4.1Å
340	F	98.7	Very high	93.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	122	-179.1	-178.1	-118.3	0	0	0	108.7	F132 V209 M213 E214 F215 F268 Y322 L323 W324	F132-F340 HydrophobicContact CD2-CE2 4.26Å; F132-F340 AromaticContact CE2-CE2 3.93Å; F132-F340 HydrophobicContact CE2-CE2 3.93Å; F132-F340 AromaticContact CE2-CZ 3.98Å; F132-F340 HydrophobicContact CE2-CZ 3.98Å; V209-F340 HydrophobicContact CB-CE1 4.2Å; V209-F340 HydrophobicContact CB-CZ 4.05Å; V209-F340 HydrophobicContact CG1-CE1 4.34Å; V209-F340 HydrophobicContact CG1-CZ 4.47Å; V209-F340 HydrophobicContact CG2-CZ 4.29Å; M213-F340 HydrophobicContact CB-CD1 4.34Å; M213-F340 HydrophobicContact CB-CD2 4.04Å; M213-F340 HydrophobicContact CB-CE1 3.65Å; M213-F340 HydrophobicContact CB-CE2 3.28Å; M213-F340 HydrophobicContact CB-CZ 3.07Å; M213-F340 HydrophobicContact CG-CD1 4.4Å; M213-F340 HydrophobicContact CG-CE1 3.58Å; M213-F340 HydrophobicContact CG-CE2 4.18Å; M213-F340 HydrophobicContact CG-CZ 3.47Å; M213-F340 VanDerWaalsContact CG-CZ 3.47Å; M213-F340 HydrophobicContact SD-CE1 4.22Å; E214-F340 CarbonylContact O-C 3.54Å; E214-F340 WeakPolarHBondContact O-CA 3.38Å; E214-F340 WeakPolarHBondContact O-CD2 3.19Å; F215-F340 HydrophobicContact CD1-CB 4.33Å; F215-F340 AromaticContact CD1-CD2 3.64Å; F215-F340 HydrophobicContact CD1-CD2 3.64Å; F215-F340 HydrophobicContact CD1-CE2 4.3Å; F215-F340 HydrophobicContact CD1-CG 4.34Å; F215-F340 AromaticContact CD2-CD2 3.88Å; F215-F340 HydrophobicContact CD2-CD2 3.88Å; F215-F340 AromaticContact CD2-CE2 3.9Å; F215-F340 HydrophobicContact CD2-CE2 3.9Å; F215-F340 AromaticContact CE1-CD2 3.63Å; F215-F340 HydrophobicContact CE1-CD2 3.63Å; F215-F340 AromaticContact CE1-CE2 3.98Å; F215-F340 HydrophobicContact CE1-CE2 3.98Å; F215-F340 HydrophobicContact CE1-CG 4.26Å; F215-F340 AromaticContact CE2-CD2 3.87Å; F215-F340 HydrophobicContact CE2-CD2 3.87Å; F215-F340 AromaticContact CE2-CE2 3.54Å; F215-F340 HydrophobicContact CE2-CE2 3.54Å; F215-F340 AromaticContact CG-CD2 3.76Å; F215-F340 HydrophobicContact CG-CD2 3.76Å; F215-F340 HydrophobicContact CG-CE2 4.27Å; F215-F340 AromaticContact CZ-CD2 3.75Å; F215-F340 HydrophobicContact CZ-CD2 3.75Å; F215-F340 AromaticContact CZ-CE2 3.58Å; F215-F340 HydrophobicContact CZ-CE2 3.58Å; F215-F340 HydrophobicContact CZ-CZ 4.36Å; F268-F340 AromaticContact CD2-CD1 3.77Å; F268-F340 HydrophobicContact CD2-CD1 3.77Å; F268-F340 HydrophobicContact CD2-CE1 4.11Å; F268-F340 HydrophobicContact CE2-CD1 4.08Å; Y322-F340 WeakPolarHBondContact O-CB 3.48Å; Y322-F340 WeakPolarHBondContact O-CD1 3.26Å; L323-F340 CarbonylContact C-O 3.53Å; L323-F340 VanDerWaalsContact CA-O 3.29Å; L323-F340 WeakPolarHBondContact CA-O 3.49Å; L323-F340 HydrophobicContact CG-CD1 4.36Å; W324-F340 PolarHBondContact N-O 3.26Å
341	T	98.4	Very high	92.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.3	-165.2	57.6	0	0	0	0	113	M213 E214 R216 W324 L338	M213-T341 CarbonylContact C-O 3.52Å; M213-T341 VanDerWaalsContact CA-O 3.29Å; M213-T341 WeakPolarHBondContact CA-O 3.43Å; E214-T341 WeakPolarHBondContact CG-OG1 3.3Å; E214-T341 PolarHBondContact N-O 3.49Å; E214-T341 PolarHBondContact O-N 3.27Å; R216-T341 VanDerWaalsContact CD-OG1 3.3Å; R216-T341 WeakPolarHBondContact CD-OG1 3.46Å; R216-T341 PolarHBondContact NE-OG1 2.99Å; R216-T341 VanDerWaalsContact NE-OG1 3.07Å; W324-T341 HydrophobicContact CB-CG2 4.3Å; W324-T341 CarbonylContact O-C 3.55Å; W324-T341 WeakPolarHBondContact O-CA 3.3Å; L338-T341 HydrophobicContact CB-CG2 3.94Å
342	A	96.9	Very high	91.5	Very high	10 Å²	10	51 Å²	51	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	134.7	175.6	0	0	0	0	0	112.2	M213 W324 D325 F373	M213-A342 WeakPolarHBondContact SD-CA 3.44Å; M213-A342 HydrophobicContact SD-CB 3.99Å; M213-A342 PolarHBondContact SD-N 2.88Å; W324-A342 PolarHBondContact O-N 3.38Å; D325-A342 HydrophobicContact CB-CB 4.27Å; A342-F373 HydrophobicContact CB-CE1 4.11Å
343	V	95.2	Very high	89.8	Confident	23 Å²	23	53.5 Å²	53.5	14%	0.139	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-85	128.1	170.4	177	0	0	0	0	108.2	F128 L131 D212 E214 K345	F128-V343 HydrophobicContact CD1-CB 4.4Å; F128-V343 HydrophobicContact CD1-CG1 4.2Å; F128-V343 HydrophobicContact CE1-CB 4.42Å; F128-V343 HydrophobicContact CE1-CG1 4.1Å; L131-V343 HydrophobicContact CD2-CG1 4.48Å; L131-V343 HydrophobicContact CD2-CG2 3.8Å; D212-V343 PolarHBondContact O-N 3.24Å; E214-V343 HydrophobicContact CB-CG2 4.09Å; E214-V343 HydrophobicContact CG-CG2 4.2Å; V343-K345 PolarHBondContact O-N 2.88Å
344	P	88.6	Confident	87.6	Confident	90 Å²	90	59.4 Å²	59.4	58%	0.584	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-53.9	126.5	177.9	-28.6	35.9	0	0	0	112
345	K	87.1	Confident	85	Confident	41 Å²	41	64.3 Å²	64.3	18%	0.178	30%	0.303	C	S	.	.			trans	-144.7	146.6	-174.8	69.8	-154.8	-178.3	-150	0	111.5	F128 D212 V343 H347 F373	F128-K345 HydrophobicContact CE1-CB 4.39Å; F128-K345 HydrophobicContact CZ-CB 4.01Å; F128-K345 HydrophobicContact CZ-CD 4.49Å; D212-K345 HydrophobicContact CB-CD 3.86Å; D212-K345 VanDerWaalsContact CG-NZ 3.29Å; D212-K345 IonicContact OD1-NZ 2.73Å; D212-K345 WeakPolarHBondContact OD2-CD 3.02Å; D212-K345 WeakPolarHBondContact OD2-CE 3.38Å; D212-K345 IonicContact OD2-NZ 3.49Å; D212-K345 PolarHBondContact OD2-NZ 2.68Å; V343-K345 PolarHBondContact O-N 2.88Å; K345-H347 WeakPolarHBondContact CE-NE2 3.49Å; K345-F373 PolarHBondContact NZ-OXT 2.8Å
346	N	87.8	Confident	82.1	Confident	102 Å²	102	70.5 Å²	70.5	55%	0.545	34%	0.344	S	S	.	.			trans	-91	104.3	168.3	-176.8	-47.1	0	0	0	109.3	Q348 A349 V350	N346-Q348 VanDerWaalsContact C-N 3.31Å; N346-Q348 PolarHBondContact O-N 3.07Å; N346-Q348 PolarHBondContact OD1-N 2.7Å; N346-Q348 VanDerWaalsContact OD1-N 3.11Å; N346-A349 HydrophobicContact CB-CB 3.9Å; N346-A349 PolarHBondContact O-N 3.38Å; N346-A349 PolarHBondContact OD1-N 3.29Å; N346-V350 WeakPolarHBondContact O-CG1 3.43Å; N346-V350 PolarHBondContact O-N 2.83Å
347	H	78.4	Confident	79.4	Confident	54 Å²	54	68 Å²	68	25%	0.25	36%	0.359	C	S	.	.	H	α-helix	trans	-50.2	-46.9	-178.8	-69.1	100.5	0	0	0	113.5	K345 A349 R351 W372	K345-H347 WeakPolarHBondContact CE-NE2 3.49Å; H347-A349 VanDerWaalsContact C-N 3.35Å; H347-A349 PolarHBondContact O-N 2.93Å; H347-R351 PolarHBondContact CD2-NH2 3.04Å; H347-R351 VanDerWaalsContact CD2-NH2 3.31Å; H347-R351 WeakPolarHBondContact O-CB 3.24Å; H347-R351 VanDerWaalsContact O-CG 3.25Å; H347-R351 WeakPolarHBondContact O-CG 3.49Å; H347-R351 PolarHBondContact O-N 3.12Å; H347-W372 PolarHBondContact CE1-O 2.65Å; H347-W372 PolarHBondContact NE2-O 2.82Å
348	Q	78.9	Confident	76.6	Confident	111 Å²	111	69.7 Å²	69.7	52%	0.519	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-35.6	-179.4	-63.7	-175.9	1.4	0	0	111.9	N346 R352	N346-Q348 VanDerWaalsContact C-N 3.31Å; N346-Q348 PolarHBondContact O-N 3.07Å; N346-Q348 PolarHBondContact OD1-N 2.7Å; N346-Q348 VanDerWaalsContact OD1-N 3.11Å; Q348-R352 WeakPolarHBondContact O-CB 3.39Å; Q348-R352 WeakPolarHBondContact O-CG 3.22Å; Q348-R352 PolarHBondContact O-N 2.89Å; Q348-R352 PolarHBondContact O-NE 3Å
349	A	81.6	Confident	73.8	Confident	48 Å²	48	77.6 Å²	77.6	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-72.8	-41	-179.2	0	0	0	0	0	112.1	K124 N346 H347	K124-A349 PolarHBondContact NZ-O 2.8Å; N346-A349 HydrophobicContact CB-CB 3.9Å; N346-A349 PolarHBondContact O-N 3.38Å; N346-A349 PolarHBondContact OD1-N 3.29Å; H347-A349 VanDerWaalsContact C-N 3.35Å; H347-A349 PolarHBondContact O-N 2.93Å
350	V	84	Confident	71.4	Confident	19 Å²	19	81.6 Å²	81.6	12%	0.115	46%	0.464	C	S	.	.	H	α-helix	trans	-80.9	-30.5	-176.8	77.3	0	0	0	0	112.8	K124 Y125 F128 N346	K124-V350 HydrophobicContact CB-CG2 3.93Å; K124-V350 WeakPolarHBondContact CD-O 3.37Å; Y125-V350 HydrophobicContact CD2-CG2 4.17Å; Y125-V350 HydrophobicContact CE2-CG1 4.25Å; Y125-V350 HydrophobicContact CE2-CG2 4.01Å; F128-V350 HydrophobicContact CE2-CG2 3.9Å; F128-V350 HydrophobicContact CZ-CG2 4.26Å; N346-V350 WeakPolarHBondContact O-CG1 3.43Å; N346-V350 PolarHBondContact O-N 2.83Å
351	R	83.9	Confident	68.3	Low	51 Å²	51	85.2 Å²	85.2	19%	0.192	50%	0.502	C	S	.	.	H	α-helix	trans	-88	-19.1	179	-61.7	173.9	179.6	173.1	1.4	113.6	Y125 W180 H347 F373	Y125-R351 HydrophobicContact CE2-CG 4.41Å; Y125-R351 VanDerWaalsContact OH-CG 3.3Å; Y125-R351 WeakPolarHBondContact OH-CG 3.21Å; Y125-R351 PolarHBondContact OH-NE 3.3Å; W180-R351 HydrophobicContact CB-CB 4.13Å; W180-R351 HydrophobicContact CB-CG 4.05Å; W180-R351 HydrophobicContact CG-CB 4.27Å; W180-R351 HydrophobicContact CG-CG 4.17Å; H347-R351 PolarHBondContact CD2-NH2 3.04Å; H347-R351 VanDerWaalsContact CD2-NH2 3.31Å; H347-R351 WeakPolarHBondContact O-CB 3.24Å; H347-R351 VanDerWaalsContact O-CG 3.25Å; H347-R351 WeakPolarHBondContact O-CG 3.49Å; H347-R351 PolarHBondContact O-N 3.12Å; R351-F373 PolarHBondContact NH2-O 3.35Å
352	R	76.9	Confident	65.2	Low	149 Å²	149	93.3 Å²	93.3	56%	0.562	54%	0.544	S	S	*	.	S	Bend	trans	-72.6	140.9	177.4	-88.1	-174.4	-81.1	-160.6	-5.4	112.7	K124 Q348	K124-R352 WeakPolarHBondContact CE-O 3.27Å; K124-R352 PolarHBondContact NZ-O 3.21Å; Q348-R352 WeakPolarHBondContact O-CB 3.39Å; Q348-R352 WeakPolarHBondContact O-CG 3.22Å; Q348-R352 PolarHBondContact O-N 2.89Å; Q348-R352 PolarHBondContact O-NE 3Å
353	E	62	Low	62.4	Low	94 Å²	94	98.7 Å²	98.7	44%	0.439	58%	0.578	S	S	.	*			trans	-69.2	146.1	168.5	-56.3	-165.7	140.8	0	0	110.5	K123 K178 L355	K123-E353 IonicContact NZ-OE1 2.63Å; K123-E353 PolarHBondContact NZ-OE1 2.72Å; K178-E353 VanDerWaalsContact CE-OE2 3.27Å; K178-E353 WeakPolarHBondContact CE-OE2 3.39Å; K178-E353 WeakPolarHBondContact CG-OE1 3.27Å; E353-L355 PolarHBondContact O-N 3.35Å
354	R	51.7	Low	59.6	Low	227 Å²	227	102.3 Å²	102.3	86%	0.857	61%	0.61	S	S	*	*			trans	-73.4	111.9	161	-104.8	-177.6	176.1	174.2	-1.5	106
355	L	42.3	Very low	56.8	Low	138 Å²	138	102.3 Å²	102.3	72%	0.723	62%	0.618	S	S	*	*			trans	-63.9	128.9	164.4	-77.3	162.5	0	0	0	107.7	E353 G357	E353-L355 PolarHBondContact O-N 3.35Å; L355-G357 PolarHBondContact O-N 3.08Å; L355-G357 VanDerWaalsContact O-N 3.11Å
356	P	37.1	Very low	54	Low	134 Å²	134	106.5 Å²	106.5	87%	0.87	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	114.3	168.8	-14.8	28.2	0	0	0	108.4
357	G	42.8	Very low	51.2	Low	79 Å²	79	105.8 Å²	105.8	81%	0.814	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.5	4.6	165.5	0	0	0	0	0	119.4	L355 L359	L355-G357 PolarHBondContact O-N 3.08Å; L355-G357 VanDerWaalsContact O-N 3.11Å; G357-L359 PolarHBondContact O-N 3.4Å
358	A	38.4	Very low	48.7	Very low	85 Å²	85	109.3 Å²	109.3	70%	0.702	68%	0.681	S	S	*	*			trans	-85.5	94.9	177.2	0	0	0	0	0	112.3
359	L	41.2	Very low	46.5	Very low	173 Å²	173	108 Å²	108	91%	0.906	68%	0.683	S	S	*	*			trans	-65.9	127.5	159.9	-84.9	158.4	0	0	0	109.5	G357	G357-L359 PolarHBondContact O-N 3.4Å
360	G	46.6	Very low	44.3	Very low	84 Å²	84	114.7 Å²	114.7	87%	0.866	70%	0.698	S	S	*	*			trans	40.2	94.9	157.4	0	0	0	0	0	118.5
361	G	34.8	Very low	41.8	Very low	77 Å²	77	117.5 Å²	117.5	79%	0.794	72%	0.717	S	S	*	*			trans	-130.1	128.4	162.8	0	0	0	0	0	110.9
362	L	34.1	Very low	40.2	Very low	171 Å²	171	120.4 Å²	120.4	90%	0.895	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-51.4	148.3	-179.6	-80.9	147.7	0	0	0	113.1	A364	L362-A364 PolarHBondContact O-N 3.4Å
363	P	36.6	Very low	38.5	Very low	122 Å²	122	115.8 Å²	115.8	79%	0.792	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-68.6	124.2	179.9	27.2	-31	0	0	0	110.9
364	A	37.3	Very low	37.4	Very low	99 Å²	99	116.9 Å²	116.9	82%	0.818	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-64.5	140.2	166.3	0	0	0	0	0	110.3	L362	L362-A364 PolarHBondContact O-N 3.4Å
365	A	29.2	Very low	36.6	Very low	91 Å²	91	111.1 Å²	111.1	75%	0.752	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-56.7	147.2	-177.9	0	0	0	0	0	112.8	S367	A365-S367 PolarHBondContact O-N 2.99Å
366	P	29.2	Very low	36.3	Very low	129 Å²	129	109.6 Å²	109.6	84%	0.838	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-67.9	118.6	179.7	26.5	-31.4	0	0	0	110.8
367	S	28.2	Very low	36.3	Very low	86 Å²	86	108.2 Å²	108.2	60%	0.601	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-71.1	141.6	160.7	164.8	0	0	0	0	108.9	A365 S369	A365-S367 PolarHBondContact O-N 2.99Å; S367-S369 PolarHBondContact O-N 2.98Å
368	P	25.8	Very low	35.8	Very low	129 Å²	129	110 Å²	110	84%	0.838	70%	0.703	S	S	*	*			trans	-75.8	73.7	-179.3	32.4	-33.2	0	0	0	109.8
369	S	33.3	Very low	35.7	Very low	82 Å²	82	111.7 Å²	111.7	57%	0.573	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-79.2	121	165.8	61.1	0	0	0	0	108.3	S367	S367-S369 PolarHBondContact O-N 2.98Å
370	R	34.5	Very low	35.3	Very low	189 Å²	189	107.3 Å²	107.3	71%	0.713	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-46.6	153.6	169.5	-68.3	-177	-175.1	-155.4	-0.1	110.7	W372	R370-W372 HydrophobicContact CB-CZ2 3.87Å; R370-W372 PolarHBondContact O-N 2.88Å; R370-W372 PolarHBondContact O-NE1 2.93Å; R370-W372 VanDerWaalsContact O-NE1 3.08Å
371	P	32	Very low	34.4	Very low	79 Å²	79	109.1 Å²	109.1	51%	0.513	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-67.9	132.1	-178.4	-9.9	26.2	0	0	0	109.7	L328	L328-P371 HydrophobicContact CD1-CB 3.18Å; L328-P371 HydrophobicContact CD1-CG 4.12Å; L328-P371 HydrophobicContact CD2-CB 3.37Å; L328-P371 HydrophobicContact CD2-CG 3.53Å; L328-P371 HydrophobicContact CG-CB 3.82Å; L328-P371 HydrophobicContact CG-CG 4.32Å
372	W	49.9	Very low	34.4	Very low	111 Å²	111	111.8 Å²	111.8	42%	0.42	67%	0.666	S	S	.	*			trans	-130.4	141	179.1	-58.6	114.3	0	0	0	108.9	W299 H347 R370	W299-W372 AromaticContact CH2-CD2 3.61Å; W299-W372 HydrophobicContact CH2-CD2 3.61Å; W299-W372 AromaticContact CH2-CE3 3.18Å; W299-W372 HydrophobicContact CH2-CE3 3.18Å; W299-W372 HydrophobicContact CH2-CG 4.34Å; W299-W372 AromaticContact CH2-CH2 3.91Å; W299-W372 HydrophobicContact CH2-CH2 3.91Å; W299-W372 HydrophobicContact CH2-CZ2 4.28Å; W299-W372 AromaticContact CH2-CZ3 3.35Å; W299-W372 HydrophobicContact CH2-CZ3 3.35Å; W299-W372 HydrophobicContact CZ2-CD2 4.47Å; W299-W372 AromaticContact CZ2-CE3 3.73Å; W299-W372 HydrophobicContact CZ2-CE3 3.73Å; W299-W372 AromaticContact CZ2-CH2 3.85Å; W299-W372 HydrophobicContact CZ2-CH2 3.85Å; W299-W372 AromaticContact CZ2-CZ3 3.37Å; W299-W372 HydrophobicContact CZ2-CZ3 3.37Å; W299-W372 HydrophobicContact CZ3-CD2 4.34Å; W299-W372 HydrophobicContact CZ3-CE3 4.02Å; W299-W372 HydrophobicContact CZ3-CZ3 4.5Å; H347-W372 PolarHBondContact CE1-O 2.65Å; H347-W372 PolarHBondContact NE2-O 2.82Å; R370-W372 HydrophobicContact CB-CZ2 3.87Å; R370-W372 PolarHBondContact O-N 2.88Å; R370-W372 PolarHBondContact O-NE1 2.93Å; R370-W372 VanDerWaalsContact O-NE1 3.08Å
373	F	42.5	Very low	34.4	Very low	53 Å²	53	106.4 Å²	106.4	23%	0.232	65%	0.645	C	S	.	*			trans	-73.2	0	179.3	-77.2	-76	0	0	0	112.8	H232 P233 D325 L328 A342 K345 R351	H232-F373 AromaticContact CE1-CD2 3.72Å; H232-F373 AromaticContact NE2-CD2 3.79Å; P233-F373 HydrophobicContact CG-CE2 4.19Å; P233-F373 HydrophobicContact CG-CZ 4.13Å; D325-F373 HydrophobicContact CB-CE1 3.39Å; D325-F373 HydrophobicContact CB-CZ 3.23Å; D325-F373 WeakPolarHBondContact OD2-CE1 3.38Å; L328-F373 HydrophobicContact CD1-CE2 4.41Å; L328-F373 HydrophobicContact CD1-CZ 4.07Å; A342-F373 HydrophobicContact CB-CE1 4.11Å; K345-F373 PolarHBondContact NZ-OXT 2.8Å; R351-F373 PolarHBondContact NH2-O 3.35Å

Retrieved 373 of 373 residues in 210.3 ms (Link to these results)

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