A0A087YBW8_POEFO Loading...

Hyaluronidase

AlphaFold DB , UniProt , Accession A0A087YBW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 457 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	34.9	Very low	30.1	Very low	229 Å²	229	153.7 Å²	153.7	100%	1.128	82%	0.816	S	S	*	*				0	100.6	0	169.7	176.6	167.9	0	0	107.9
2	R	29.8	Very low	30	Very low	225 Å²	225	154.6 Å²	154.6	85%	0.849	82%	0.82	S	S	*	*			trans	61.3	164.6	-175.6	-60.3	-176.4	173.8	-178.3	-2.4	114.9
3	L	29.4	Very low	29.7	Very low	141 Å²	141	156.1 Å²	156.1	74%	0.738	82%	0.819	S	S	*	*			cis	-172.3	143.5	-32.5	-89.3	174.2	0	0	0	102.8
4	L	31	Very low	30.3	Very low	164 Å²	164	152.2 Å²	152.2	86%	0.859	81%	0.808	S	S	*	*			cis	-149.9	-173.9	-0.2	-93.9	159.1	0	0	0	105.9
5	G	28.7	Very low	30.4	Very low	59 Å²	59	153.1 Å²	153.1	61%	0.608	81%	0.812	S	S	*	*			cis	168.8	128.8	-2.7	0	0	0	0	0	107.6
6	S	28.7	Very low	30.3	Very low	113 Å²	113	155.8 Å²	155.8	79%	0.79	82%	0.818	S	S	*	*				84.9	145.4	96.6	-161.3	0	0	0	0	116
7	L	32.4	Very low	30.1	Very low	162 Å²	162	150.5 Å²	150.5	85%	0.848	81%	0.81	S	S	*	*			trans	72.9	117	-177.6	-50.6	171.8	0	0	0	114.9
8	A	29.8	Very low	30	Very low	89 Å²	89	154.4 Å²	154.4	74%	0.736	82%	0.819	S	S	*	*			cis	95	103.7	18.7	0	0	0	0	0	116.7
9	N	29.8	Very low	29.9	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	82%	0.819	S	S	*	*				-164.6	168.2	127.8	-117.7	-41.2	0	0	0	115.9
10	H	28.1	Very low	30.1	Very low	163 Å²	163	152.3 Å²	152.3	76%	0.755	82%	0.818	S	S	*	*			trans	-79.9	166	-163.8	-87.3	-74.7	0	0	0	119.6
11	K	28	Very low	30	Very low	184 Å²	184	149.5 Å²	149.5	80%	0.8	82%	0.816	S	S	*	*			trans	76.7	150.4	149.2	-79.4	165.3	-176.3	-175.1	0	117.2
12	L	28.9	Very low	29.8	Very low	164 Å²	164	145.7 Å²	145.7	86%	0.859	80%	0.798	S	S	*	*			cis	-130.1	173.4	8.1	-89.6	104.7	0	0	0	114.1
13	E	26.7	Very low	29.7	Very low	174 Å²	174	146.5 Å²	146.5	81%	0.813	80%	0.801	S	S	*	*			trans	-68.5	-179.2	165.3	-79.1	179.1	168.9	0	0	115
14	P	38.5	Very low	29.9	Very low	102 Å²	102	148.4 Å²	148.4	66%	0.662	80%	0.803	S	S	*	*			cis	-140.8	-172.1	-35.9	38.7	-20.5	0	0	0	114.5
15	L	31.6	Very low	29.9	Very low	165 Å²	165	146.1 Å²	146.1	86%	0.864	80%	0.8	S	S	*	*			trans	58.8	104.7	151.2	-75.7	164.3	0	0	0	120
16	E	28.3	Very low	29.9	Very low	196 Å²	196	151.5 Å²	151.5	92%	0.916	81%	0.809	S	S	*	*			trans	-124.7	143.8	145.7	-74	-162.5	140.5	0	0	110.5
17	G	27.7	Very low	30.1	Very low	66 Å²	66	151.8 Å²	151.8	68%	0.68	81%	0.806	S	S	*	*			trans	-101.7	140.3	-178	0	0	0	0	0	112.9	T19	G17-T19 PolarHBondContact O-N 3.05Å
18	F	28.2	Very low	30	Very low	222 Å²	222	151 Å²	151	97%	0.974	80%	0.802	S	S	*	*			trans	-64.8	105.9	175.4	-85.3	-96.5	0	0	0	111.4
19	T	28.5	Very low	30.2	Very low	133 Å²	133	151.1 Å²	151.1	82%	0.816	79%	0.793	S	S	*	*			trans	-103.8	128.5	167.5	-52	0	0	0	0	109.5	G17 A21	G17-T19 PolarHBondContact O-N 3.05Å; T19-A21 PolarHBondContact O-N 3.2Å
20	V	33.2	Very low	30.4	Very low	133 Å²	133	151 Å²	151	81%	0.806	79%	0.791	S	S	*	*			trans	-76	106.8	-176.4	177.6	0	0	0	0	110.9	M22	V20-M22 PolarHBondContact O-N 3.09Å; V20-M22 VanDerWaalsContact O-N 3.11Å
21	A	27.6	Very low	31	Very low	94 Å²	94	149.1 Å²	149.1	78%	0.777	78%	0.781	S	S	*	*			trans	-79.4	86.2	174.6	0	0	0	0	0	111.8	T19 R23	T19-A21 PolarHBondContact O-N 3.2Å; A21-R23 PolarHBondContact O-N 3.11Å; A21-R23 VanDerWaalsContact O-N 3.09Å
22	M	30.2	Very low	31.4	Very low	149 Å²	149	142.8 Å²	142.8	73%	0.734	77%	0.768	S	S	*	*			trans	-70.4	99	172.3	-167.8	-176.8	-59.5	0	0	110	V20 F24	V20-M22 PolarHBondContact O-N 3.09Å; V20-M22 VanDerWaalsContact O-N 3.11Å; M22-F24 PolarHBondContact O-N 3.04Å; M22-F24 HydrophobicContact SD-CE2 4.19Å
23	R	29.3	Very low	31.7	Very low	242 Å²	242	140.7 Å²	140.7	91%	0.913	76%	0.757	S	S	*	*			trans	-69.7	100	177.9	-79.6	-169.5	173.2	-160.2	-1.3	111.2	A21 C25	A21-R23 PolarHBondContact O-N 3.11Å; A21-R23 VanDerWaalsContact O-N 3.09Å; R23-C25 PolarHBondContact O-N 3.39Å
24	F	32.1	Very low	32.5	Very low	180 Å²	180	136.1 Å²	136.1	79%	0.789	74%	0.738	S	S	*	*			trans	-64	123.7	156.9	-84.6	-98.9	0	0	0	109	M22 E26	M22-F24 PolarHBondContact O-N 3.04Å; M22-F24 HydrophobicContact SD-CE2 4.19Å; F24-E26 PolarHBondContact O-N 3.5Å
25	C	31.1	Very low	32.5	Very low	116 Å²	116	139.2 Å²	139.2	78%	0.784	74%	0.737	S	S	*	*			trans	-92.4	94.4	170.9	-170.3	0	0	0	0	107.9	R23 V27	R23-C25 PolarHBondContact O-N 3.39Å; C25-V27 PolarHBondContact O-N 3.14Å
26	E	29.1	Very low	33.2	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.804	70%	0.702	S	S	*	*			trans	-65.6	103	176.6	-68.7	-170	154.8	0	0	110.3	F24 L28	F24-E26 PolarHBondContact O-N 3.5Å; E26-L28 PolarHBondContact O-N 3Å; E26-L28 VanDerWaalsContact O-N 3.14Å
27	V	33.7	Very low	33.8	Very low	119 Å²	119	127.3 Å²	127.3	72%	0.721	68%	0.683	S	S	*	*			trans	-75.9	100	169.2	179.4	0	0	0	0	107.6	C25 V29	C25-V27 PolarHBondContact O-N 3.14Å; V27-V29 VanDerWaalsContact C-N 3.29Å; V27-V29 HydrophobicContact CG1-CG2 4.23Å; V27-V29 PolarHBondContact O-N 2.95Å
28	L	29	Very low	34.6	Very low	147 Å²	147	125.9 Å²	125.9	77%	0.77	66%	0.662	S	S	*	*			trans	-64.5	87.7	171.9	-106.5	146.1	0	0	0	110	E26 L30	E26-L28 PolarHBondContact O-N 3Å; E26-L28 VanDerWaalsContact O-N 3.14Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.85Å
29	V	35	Very low	35.1	Very low	91 Å²	91	118 Å²	118	55%	0.552	64%	0.644	S	S	*	*			trans	-70	92.7	170	-178.2	0	0	0	0	108	V27 F31	V27-V29 VanDerWaalsContact C-N 3.29Å; V27-V29 HydrophobicContact CG1-CG2 4.23Å; V27-V29 PolarHBondContact O-N 2.95Å; V29-F31 VanDerWaalsContact C-N 3.35Å; V29-F31 HydrophobicContact CB-CD2 4.43Å; V29-F31 HydrophobicContact CB-CE2 4.09Å; V29-F31 HydrophobicContact CG1-CD2 3.99Å; V29-F31 HydrophobicContact CG1-CE1 4.36Å; V29-F31 HydrophobicContact CG1-CE2 3.71Å; V29-F31 HydrophobicContact CG1-CG 4.43Å; V29-F31 HydrophobicContact CG1-CZ 3.92Å; V29-F31 VanDerWaalsContact O-CD2 3.29Å; V29-F31 WeakPolarHBondContact O-CD2 3.29Å; V29-F31 PolarHBondContact O-N 2.81Å
30	L	34.5	Very low	35.2	Very low	158 Å²	158	118.7 Å²	118.7	83%	0.827	64%	0.642	S	S	*	*			trans	-65.6	94.2	169.7	-87.3	162	0	0	0	109.2	L28 G32	L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.85Å; L30-G32 PolarHBondContact O-N 2.93Å
31	F	39.8	Very low	35.4	Very low	124 Å²	124	117.6 Å²	117.6	54%	0.544	64%	0.637	S	S	.	*			trans	-67.5	77.4	170.2	-75.5	-83.5	0	0	0	110.4	V29	V29-F31 VanDerWaalsContact C-N 3.35Å; V29-F31 HydrophobicContact CB-CD2 4.43Å; V29-F31 HydrophobicContact CB-CE2 4.09Å; V29-F31 HydrophobicContact CG1-CD2 3.99Å; V29-F31 HydrophobicContact CG1-CE1 4.36Å; V29-F31 HydrophobicContact CG1-CE2 3.71Å; V29-F31 HydrophobicContact CG1-CG 4.43Å; V29-F31 HydrophobicContact CG1-CZ 3.92Å; V29-F31 VanDerWaalsContact O-CD2 3.29Å; V29-F31 WeakPolarHBondContact O-CD2 3.29Å; V29-F31 PolarHBondContact O-N 2.81Å
32	G	37.4	Very low	36.1	Very low	51 Å²	51	116.7 Å²	116.7	53%	0.526	62%	0.622	S	S	.	*			trans	-62.3	136.3	170.1	0	0	0	0	0	110.8	L30 L34	L30-G32 PolarHBondContact O-N 2.93Å; G32-L34 PolarHBondContact O-N 2.91Å
33	L	34.3	Very low	36.9	Very low	121 Å²	121	114.4 Å²	114.4	63%	0.634	63%	0.627	S	S	*	*			trans	-67.1	94.3	171.4	-77.3	165.4	0	0	0	109.5	R35	L33-R35 PolarHBondContact O-N 3.39Å
34	L	42.7	Very low	38.3	Very low	77 Å²	77	105.6 Å²	105.6	40%	0.403	60%	0.603	S	S	.	*			trans	-67.5	74	174.1	-77.6	168.4	0	0	0	111.2	G32 L36 L378	G32-L34 PolarHBondContact O-N 2.91Å; L34-L36 PolarHBondContact O-N 2.93Å; L34-L36 VanDerWaalsContact O-N 3.12Å; L34-L378 HydrophobicContact CD1-CD1 4.16Å
35	R	39.7	Very low	40.2	Very low	168 Å²	168	99 Å²	99	63%	0.634	58%	0.578	S	S	*	*			trans	-75.1	94.1	173	-72.8	-178	170.2	-172.4	-1.8	109.9	L33 T37	L33-R35 PolarHBondContact O-N 3.39Å; R35-T37 VanDerWaalsContact C-N 3.33Å; R35-T37 PolarHBondContact O-N 3.24Å
36	L	45.2	Very low	42.6	Very low	28 Å²	28	94.3 Å²	94.3	15%	0.147	54%	0.544	C	S	.	.			trans	-72.4	86.7	169	-75.5	165.1	0	0	0	110.2	L34 S38 T377 L378 V424	L34-L36 PolarHBondContact O-N 2.93Å; L34-L36 VanDerWaalsContact O-N 3.12Å; L36-S38 VanDerWaalsContact C-N 3.33Å; L36-S38 PolarHBondContact O-N 2.99Å; L36-S38 VanDerWaalsContact O-N 3.12Å; L36-T377 HydrophobicContact CD2-CG2 4.2Å; L36-L378 HydrophobicContact CD1-CB 4.32Å; L36-L378 HydrophobicContact CD1-CD1 4.47Å; L36-V424 HydrophobicContact CB-CB 4.17Å; L36-V424 HydrophobicContact CB-CG1 4.48Å; L36-V424 PolarHBondContact O-N 3.09Å
37	T	40.8	Very low	44.7	Very low	83 Å²	83	87.8 Å²	87.8	51%	0.509	52%	0.517	S	S	.	.			trans	-78.2	84.1	165.8	51.7	0	0	0	0	109.6	R35	R35-T37 VanDerWaalsContact C-N 3.33Å; R35-T37 PolarHBondContact O-N 3.24Å
38	S	44.2	Very low	47	Very low	35 Å²	35	85 Å²	85	25%	0.245	50%	0.497	C	S	.	.			trans	-54.2	141.5	162.8	33.2	0	0	0	0	110.5	L36 Y422	L36-S38 VanDerWaalsContact C-N 3.33Å; L36-S38 PolarHBondContact O-N 2.99Å; L36-S38 VanDerWaalsContact O-N 3.12Å; S38-Y422 PolarHBondContact OG-O 2.7Å
39	G	39	Very low	49.9	Very low	58 Å²	58	78.3 Å²	78.3	60%	0.598	46%	0.462	S	S	*	.			trans	120.6	-0.6	-173.6	0	0	0	0	0	115.7
40	L	31.6	Very low	52.7	Low	147 Å²	147	75.2 Å²	75.2	77%	0.77	44%	0.444	S	S	*	.	S	Bend	trans	-78	138.7	161.1	-74.7	171.2	0	0	0	109.6
41	P	37.7	Very low	55.7	Low	109 Å²	109	68.1 Å²	68.1	71%	0.708	41%	0.407	S	S	*	.			trans	-62.7	152.9	169.1	29.1	-34.8	0	0	0	110	A43	P41-A43 VanDerWaalsContact C-N 3.3Å; P41-A43 PolarHBondContact O-N 2.93Å
42	V	41	Very low	58.3	Low	75 Å²	75	62.6 Å²	62.6	46%	0.455	38%	0.383	S	S	.	.			trans	-70.8	87.5	179.8	-171.3	0	0	0	0	109.3	S44 A49 L52	V42-S44 PolarHBondContact O-N 3.29Å; V42-A49 HydrophobicContact CG1-CB 4.08Å; V42-L52 HydrophobicContact CG1-CD2 4.38Å; V42-L52 HydrophobicContact CG2-CD2 4.28Å
43	A	46.8	Very low	61.1	Low	102 Å²	102	60.1 Å²	60.1	84%	0.843	36%	0.358	S	S	*	.			trans	-76.4	1.6	179.2	0	0	0	0	0	113.7	P41	P41-A43 VanDerWaalsContact C-N 3.3Å; P41-A43 PolarHBondContact O-N 2.93Å
44	S	58.8	Low	64.2	Low	57 Å²	57	54.4 Å²	54.4	40%	0.399	33%	0.327	S	S	.	.	S	Bend	trans	-95.9	146.1	170.2	-55.7	0	0	0	0	109.7	V42	V42-S44 PolarHBondContact O-N 3.29Å
45	P	73.7	Confident	66.8	Low	40 Å²	40	50.9 Å²	50.9	26%	0.26	31%	0.309	S	S	.	.			trans	-51.2	150.5	166.3	-25.5	34	0	0	0	111.5	S47 Q48 A49	P45-S47 PolarHBondContact O-N 3.32Å; P45-S47 VanDerWaalsContact O-N 3.11Å; P45-Q48 WeakPolarHBondContact O-CA 3.46Å; P45-Q48 PolarHBondContact O-N 3.18Å; P45-A49 PolarHBondContact O-N 3.31Å
46	F	80.2	Confident	69.6	Low	18 Å²	18	42.9 Å²	42.9	8%	0.079	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-56.7	-34.4	-178	-81.7	32.7	0	0	0	112.4	Q48 A49 L52 V54 V78 N89 L144 L217 R389	F46-Q48 PolarHBondContact O-N 3.11Å; F46-A49 PolarHBondContact O-N 3.31Å; F46-L52 HydrophobicContact CB-CD1 3.81Å; F46-L52 HydrophobicContact CD1-CD1 4.18Å; F46-L52 HydrophobicContact CD2-CD1 3.92Å; F46-L52 HydrophobicContact CG-CD1 3.69Å; F46-V54 HydrophobicContact CE2-CG2 4.32Å; F46-V78 HydrophobicContact CE1-CG1 4.47Å; F46-V78 HydrophobicContact CE2-CG1 4.34Å; F46-V78 HydrophobicContact CZ-CG1 3.71Å; F46-N89 VanDerWaalsContact CE2-O 3.27Å; F46-N89 WeakPolarHBondContact CE2-O 3.27Å; F46-N89 HydrophobicContact CZ-CB 3.91Å; F46-N89 WeakPolarHBondContact CZ-OD1 3.47Å; F46-L144 HydrophobicContact CD2-CD2 4.05Å; F46-L144 HydrophobicContact CD2-CG 4.16Å; F46-L144 HydrophobicContact CE2-CG 4.27Å; F46-L217 HydrophobicContact CB-CD1 3.7Å; F46-R389 PolarHBondContact O-NH2 3.46Å
47	S	73.7	Confident	72	Confident	35 Å²	35	41.6 Å²	41.6	25%	0.245	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-64.6	-16.3	175	55.9	0	0	0	0	114.5	P45 R389	P45-S47 PolarHBondContact O-N 3.32Å; P45-S47 VanDerWaalsContact O-N 3.11Å; S47-R389 PolarHBondContact O-NH1 3.07Å; S47-R389 PolarHBondContact O-NH2 3.46Å
48	Q	82.4	Confident	74.5	Confident	62 Å²	62	37.6 Å²	37.6	29%	0.29	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-115.9	7.6	-176.8	-63.1	-175.6	-19.2	0	0	114.2	P45 F46 Y445	P45-Q48 WeakPolarHBondContact O-CA 3.46Å; P45-Q48 PolarHBondContact O-N 3.18Å; F46-Q48 PolarHBondContact O-N 3.11Å; Q48-Y445 HydrophobicContact CB-CD2 4.03Å; Q48-Y445 HydrophobicContact CB-CE2 4.19Å; Q48-Y445 HydrophobicContact CB-CG 4.31Å; Q48-Y445 HydrophobicContact CG-CD2 4.19Å; Q48-Y445 HydrophobicContact CG-CG 4.16Å; Q48-Y445 WeakPolarHBondContact O-CE2 3.5Å; Q48-Y445 PolarHBondContact O-OH 3.1Å
49	A	89.1	Confident	76.9	Confident	5 Å²	5	36 Å²	36	4%	0.041	24%	0.236	C	C	.	.	S	Bend	trans	-86.5	134.9	171.9	0	0	0	0	0	111.5	V42 P45 F46 F51 L52 R389	V42-A49 HydrophobicContact CG1-CB 4.08Å; P45-A49 PolarHBondContact O-N 3.31Å; F46-A49 PolarHBondContact O-N 3.31Å; A49-F51 PolarHBondContact O-N 2.98Å; A49-L52 HydrophobicContact CB-CD1 3.88Å; A49-L52 HydrophobicContact CB-CD2 3.59Å; A49-L52 HydrophobicContact CB-CG 3.57Å; A49-R389 PolarHBondContact O-NE 3.04Å; A49-R389 PolarHBondContact O-NH2 2.75Å
50	P	93.4	Very high	79.6	Confident	27 Å²	27	36 Å²	36	18%	0.175	22%	0.22	C	C	.	.	S	Bend	trans	-55.3	-44.5	-172.5	-30.8	37.3	0	0	0	115	A376 R389 Y445	P50-A376 HydrophobicContact CB-CB 4.32Å; P50-R389 WeakPolarHBondContact O-CD 3.44Å; P50-R389 WeakPolarHBondContact O-CG 3.33Å; P50-R389 PolarHBondContact O-NE 3.36Å; P50-Y445 WeakPolarHBondContact CA-OH 3.21Å
51	F	97.2	Very high	82.7	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.035	19%	0.193	C	C	.	.	S	Bend	trans	-157.3	128	168.4	-177.5	-106.5	0	0	0	108.5	A49 L328 A332 V339 V372 T373 A376	A49-F51 PolarHBondContact O-N 2.98Å; F51-L328 WeakPolarHBondContact CZ-O 3.39Å; F51-A332 HydrophobicContact CD1-CB 4.03Å; F51-A332 HydrophobicContact CD2-CB 3.68Å; F51-A332 HydrophobicContact CE1-CB 4.03Å; F51-A332 HydrophobicContact CE2-CB 3.69Å; F51-A332 HydrophobicContact CG-CB 3.85Å; F51-A332 HydrophobicContact CZ-CB 3.86Å; F51-V339 HydrophobicContact CE1-CG2 4.05Å; F51-V339 HydrophobicContact CE2-CG1 4.22Å; F51-V339 HydrophobicContact CZ-CB 4.3Å; F51-V339 HydrophobicContact CZ-CG1 3.79Å; F51-V339 HydrophobicContact CZ-CG2 3.69Å; F51-V372 HydrophobicContact CD1-CG1 4.34Å; F51-V372 HydrophobicContact CD1-CG2 4.35Å; F51-V372 HydrophobicContact CE1-CG1 4.1Å; F51-V372 HydrophobicContact CE1-CG2 4.31Å; F51-T373 HydrophobicContact CD1-CG2 4.14Å; F51-A376 HydrophobicContact CB-CB 3.68Å
52	L	95.5	Very high	85.6	Confident	8 Å²	8	25.6 Å²	25.6	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.5	178.1	-69.6	175.7	0	0	0	112.8	V42 F46 A49 V54 V78 F305 A337 G338 V339	V42-L52 HydrophobicContact CG1-CD2 4.38Å; V42-L52 HydrophobicContact CG2-CD2 4.28Å; F46-L52 HydrophobicContact CB-CD1 3.81Å; F46-L52 HydrophobicContact CD1-CD1 4.18Å; F46-L52 HydrophobicContact CD2-CD1 3.92Å; F46-L52 HydrophobicContact CG-CD1 3.69Å; A49-L52 HydrophobicContact CB-CD1 3.88Å; A49-L52 HydrophobicContact CB-CD2 3.59Å; A49-L52 HydrophobicContact CB-CG 3.57Å; L52-V54 HydrophobicContact CB-CG2 4.46Å; L52-V78 HydrophobicContact CD2-CG2 4.26Å; L52-F305 HydrophobicContact CB-CE1 4.43Å; L52-F305 HydrophobicContact CD1-CE1 4.34Å; L52-A337 PolarHBondContact N-O 3.32Å; L52-A337 VanDerWaalsContact N-O 3.08Å; L52-G338 CarbonylContact O-C 3.56Å; L52-G338 VanDerWaalsContact O-C 3.31Å; L52-G338 WeakPolarHBondContact O-CA 3.39Å; L52-V339 PolarHBondContact O-N 3.46Å
53	T	96.9	Very high	88.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.3	164.4	-58.6	0	0	0	0	107.7	I77 V78 V339 L341 V369	T53-I77 HydrophobicContact CG2-CG1 4.04Å; T53-I77 HydrophobicContact CG2-CG2 4.22Å; T53-V78 PolarHBondContact O-N 3.45Å; T53-V339 HydrophobicContact CG2-CG2 4.21Å; T53-L341 HydrophobicContact CG2-CD1 3.46Å; T53-L341 VanDerWaalsContact CG2-CD1 3.46Å; T53-L341 HydrophobicContact CG2-CG 3.82Å; T53-V369 HydrophobicContact CG2-CG1 4.25Å; T53-V369 HydrophobicContact CG2-CG2 4.04Å; T53-V369 WeakPolarHBondContact OG1-CG1 3.29Å
54	V	97.9	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.7	-177.7	-171.7	0	0	0	0	109.7	F46 L52 V78 V90 L144 V339 V340 L341	F46-V54 HydrophobicContact CE2-CG2 4.32Å; L52-V54 HydrophobicContact CB-CG2 4.46Å; V54-V78 CarbonylContact C-O 3.6Å; V54-V78 WeakPolarHBondContact CA-O 3.41Å; V54-V78 HydrophobicContact CG2-CB 4.33Å; V54-V90 HydrophobicContact CG1-CB 4.1Å; V54-V90 HydrophobicContact CG1-CG1 3.89Å; V54-L144 HydrophobicContact CB-CD1 4.16Å; V54-L144 HydrophobicContact CG1-CD1 4.17Å; V54-L144 HydrophobicContact CG2-CD1 3.92Å; V54-V339 PolarHBondContact N-O 3.14Å; V54-V340 CarbonylContact O-C 3.52Å; V54-V340 WeakPolarHBondContact O-CA 3.17Å; V54-L341 PolarHBondContact O-N 3.15Å
55	W	98.1	Very high	92.4	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.7	172.5	-169.4	-108.4	0	0	0	110.4	A57 T59 L70 L72 I77 V78 Q79 I310 L341 F347 V357 I361	W55-A57 HydrophobicContact CD2-CB 4.4Å; W55-A57 HydrophobicContact CZ2-CB 3.78Å; W55-A57 PolarHBondContact NE1-O 2.78Å; W55-T59 HydrophobicContact CZ2-CG2 4.09Å; W55-T59 PolarHBondContact NE1-OG1 3.09Å; W55-L70 HydrophobicContact CZ2-CD1 4.03Å; W55-L72 HydrophobicContact CB-CD1 4.2Å; W55-L72 HydrophobicContact CD2-CD1 3.71Å; W55-L72 HydrophobicContact CD2-CD2 4.11Å; W55-L72 HydrophobicContact CE3-CD1 4.39Å; W55-L72 HydrophobicContact CE3-CD2 3.95Å; W55-L72 HydrophobicContact CG-CD1 3.62Å; W55-L72 HydrophobicContact CZ2-CD1 4.44Å; W55-L72 HydrophobicContact CZ3-CD2 4.25Å; W55-I77 HydrophobicContact CB-CG2 3.86Å; W55-V78 PolarHBondContact N-O 2.8Å; W55-Q79 HydrophobicContact CB-CB 4.21Å; W55-I310 HydrophobicContact CH2-CD1 3.78Å; W55-I310 HydrophobicContact CZ3-CD1 4.13Å; W55-I310 HydrophobicContact CZ3-CG2 4.28Å; W55-L341 HydrophobicContact CE3-CB 4.02Å; W55-L341 HydrophobicContact CE3-CD1 4.35Å; W55-L341 HydrophobicContact CZ3-CB 4.43Å; W55-F347 HydrophobicContact CH2-CD2 4.14Å; W55-F347 HydrophobicContact CH2-CE2 4.05Å; W55-F347 HydrophobicContact CZ2-CD2 4.04Å; W55-F347 HydrophobicContact CZ2-CE2 4.34Å; W55-V357 HydrophobicContact CH2-CG1 4.19Å; W55-V357 HydrophobicContact CZ2-CG1 4.45Å; W55-I361 HydrophobicContact CH2-CD1 4.27Å
56	N	97.6	Very high	93.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	48.3	177.2	-168.7	-134.2	0	0	0	109.7	F85 V90 Y307 V340 L341 W342 G343	N56-F85 WeakPolarHBondContact O-CE1 3.26Å; N56-V90 HydrophobicContact CB-CG1 4.25Å; N56-V90 HydrophobicContact CB-CG2 4.44Å; N56-Y307 PolarHBondContact OD1-OH 2.87Å; N56-V340 HydrophobicContact CB-CG1 3.44Å; N56-V340 VanDerWaalsContact CB-CG1 3.44Å; N56-L341 CarbonylContact C-O 3.45Å; N56-L341 PolarHBondContact N-O 2.77Å; N56-W342 WeakPolarHBondContact O-CA 3.48Å; N56-W342 VanDerWaalsContact O-CD1 3.29Å; N56-G343 PolarHBondContact O-N 3.36Å
57	A	95.7	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-111.3	150.3	165.7	0	0	0	0	0	109	W55 T59 G343 F347	W55-A57 HydrophobicContact CD2-CB 4.4Å; W55-A57 HydrophobicContact CZ2-CB 3.78Å; W55-A57 PolarHBondContact NE1-O 2.78Å; A57-T59 PolarHBondContact O-N 3.29Å; A57-G343 VanDerWaalsContact CB-CA 3.44Å; A57-F347 HydrophobicContact CB-CD2 3.68Å; A57-F347 HydrophobicContact CB-CE2 3.94Å
58	P	93.4	Very high	95.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.			trans	-84.7	100	175	34.6	-29.1	0	0	0	108.3	E60 E83 F85 G343 H345 D348	P58-E60 WeakPolarHBondContact CA-OE2 3.34Å; P58-E60 VanDerWaalsContact CB-OE2 3.31Å; P58-E60 WeakPolarHBondContact CB-OE2 3.5Å; P58-E83 WeakPolarHBondContact CA-O 3.01Å; P58-F85 HydrophobicContact CB-CD2 4.01Å; P58-F85 HydrophobicContact CB-CE2 3.81Å; P58-F85 HydrophobicContact CB-CZ 4.2Å; P58-F85 VanDerWaalsContact CD-CZ 3.43Å; P58-F85 HydrophobicContact CG-CD2 4.24Å; P58-F85 HydrophobicContact CG-CE1 4.33Å; P58-F85 HydrophobicContact CG-CE2 3.52Å; P58-F85 HydrophobicContact CG-CZ 3.59Å; P58-G343 WeakPolarHBondContact CD-O 3.46Å; P58-H345 WeakPolarHBondContact CB-CE1 3.43Å; P58-H345 WeakPolarHBondContact CG-ND1 3.34Å; P58-D348 WeakPolarHBondContact O-CB 3.42Å
59	T	96.1	Very high	96	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.			trans	-119.8	17.1	-179.6	41.2	0	0	0	0	114	W55 A57 N61 C62 L70 E83 F347 D348	W55-T59 HydrophobicContact CZ2-CG2 4.09Å; W55-T59 PolarHBondContact NE1-OG1 3.09Å; A57-T59 PolarHBondContact O-N 3.29Å; T59-N61 PolarHBondContact O-N 2.66Å; T59-C62 WeakPolarHBondContact O-CB 3.32Å; T59-C62 PolarHBondContact O-N 2.98Å; T59-L70 HydrophobicContact CG2-CD1 3.91Å; T59-E83 WeakPolarHBondContact CB-OE2 3.39Å; T59-E83 PolarHBondContact N-O 2.81Å; T59-E83 VanDerWaalsContact N-O 3.1Å; T59-E83 WeakPolarHBondContact OG1-CB 3.31Å; T59-E83 PolarHBondContact OG1-OE2 2.92Å; T59-F347 HydrophobicContact CG2-CB 3.74Å; T59-F347 HydrophobicContact CG2-CD2 4.4Å; T59-D348 HydrophobicContact CG2-CB 4.38Å
60	E	95.1	Very high	96.3	Very high	58 Å²	58	31.1 Å²	31.1	27%	0.271	18%	0.179	S	C	.	.	H	α-helix	trans	-50.3	-35.1	178.2	59.7	-95.8	-136.9	0	0	113.9	P58 S64 N82 T84	P58-E60 WeakPolarHBondContact CA-OE2 3.34Å; P58-E60 VanDerWaalsContact CB-OE2 3.31Å; P58-E60 WeakPolarHBondContact CB-OE2 3.5Å; E60-S64 VanDerWaalsContact O-CB 3.28Å; E60-S64 WeakPolarHBondContact O-CB 3.21Å; E60-S64 PolarHBondContact O-N 2.83Å; E60-S64 VanDerWaalsContact O-N 3.14Å; E60-S64 PolarHBondContact O-OG 3.32Å; E60-N82 WeakPolarHBondContact CA-O 3.47Å; E60-N82 VanDerWaalsContact CB-O 3.25Å; E60-N82 WeakPolarHBondContact CB-O 3.28Å; E60-T84 HydrophobicContact CB-CG2 4.39Å
61	N	96.4	Very high	96.1	Very high	38 Å²	38	32.1 Å²	32.1	20%	0.203	18%	0.183	C	C	.	.	H	α-helix	trans	-78.3	-18.9	-177.1	-63	-56.6	0	0	0	113.3	T59 Q65 Y66 D348	T59-N61 PolarHBondContact O-N 2.66Å; N61-Q65 HydrophobicContact CB-CB 4.46Å; N61-Q65 HydrophobicContact CB-CG 4.03Å; N61-Q65 VanDerWaalsContact CG-NE2 3.31Å; N61-Q65 WeakPolarHBondContact O-CA 3.48Å; N61-Q65 WeakPolarHBondContact O-CB 3.21Å; N61-Q65 PolarHBondContact O-N 3.01Å; N61-Q65 PolarHBondContact OD1-NE2 3.08Å; N61-Y66 WeakPolarHBondContact O-CD2 3.36Å; N61-Y66 PolarHBondContact O-N 2.94Å; N61-D348 HydrophobicContact CB-CB 4.12Å; N61-D348 PolarHBondContact ND2-OD2 2.04Å
62	C	97.7	Very high	95.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-52.1	176.8	-69	0	0	0	0	111.4	T59 Y66 G67 V68 L70 C354	T59-C62 WeakPolarHBondContact O-CB 3.32Å; T59-C62 PolarHBondContact O-N 2.98Å; C62-Y66 CarbonylContact O-C 3.54Å; C62-Y66 WeakPolarHBondContact O-CB 3.34Å; C62-Y66 PolarHBondContact O-N 2.78Å; C62-G67 PolarHBondContact O-N 2.04Å; C62-G67 VanDerWaalsContact O-N 3.11Å; C62-V68 CarbonylContact C-O 3.29Å; C62-V68 HydrophobicContact CB-CB 4.46Å; C62-V68 WeakPolarHBondContact CB-O 3.27Å; C62-V68 PolarHBondContact O-N 3.46Å; C62-L70 HydrophobicContact CB-CD2 4.46Å; C62-L70 HydrophobicContact CB-CG 4.49Å; C62-C354 WeakPolarHBondContact CA-SG 3.1Å; C62-C354 HydrophobicContact CB-CB 3.62Å; C62-C354 WeakPolarHBondContact CB-SG 3.47Å; C62-C354 WeakPolarHBondContact SG-CB 3.47Å; C62-C354 CovalentContact SG-SG 2.04Å; C62-C354 PolarHBondContact SG-SG 3.23Å
63	L	96	Very high	95.4	Very high	89 Å²	89	33.6 Å²	33.6	47%	0.466	20%	0.203	S	C	.	.	H	α-helix	trans	-74.2	-50.7	173.9	-176.9	58	0	0	0	111.3	G67 V68 D69	L63-G67 WeakPolarHBondContact O-CA 3.03Å; L63-G67 PolarHBondContact O-N 3.04Å; L63-G67 VanDerWaalsContact O-N 3.15Å; L63-V68 PolarHBondContact N-O 3.49Å; L63-D69 HydrophobicContact CD1-CB 4.12Å
64	S	96.3	Very high	94.9	Very high	90 Å²	90	34.7 Å²	34.7	63%	0.629	21%	0.208	S	C	*	.	H	α-helix	trans	-75.9	-28.5	-166.9	68	0	0	0	0	115.7	E60	E60-S64 VanDerWaalsContact O-CB 3.28Å; E60-S64 WeakPolarHBondContact O-CB 3.21Å; E60-S64 PolarHBondContact O-N 2.83Å; E60-S64 VanDerWaalsContact O-N 3.14Å; E60-S64 PolarHBondContact O-OG 3.32Å
65	Q	97.1	Very high	94.4	Very high	120 Å²	120	34.7 Å²	34.7	56%	0.561	21%	0.208	S	C	*	.	H	α-helix	trans	-103.1	-34.2	175.5	-58.8	-166.1	27.2	0	0	113.2	N61	N61-Q65 HydrophobicContact CB-CB 4.46Å; N61-Q65 HydrophobicContact CB-CG 4.03Å; N61-Q65 VanDerWaalsContact CG-NE2 3.31Å; N61-Q65 WeakPolarHBondContact O-CA 3.48Å; N61-Q65 WeakPolarHBondContact O-CB 3.21Å; N61-Q65 PolarHBondContact O-N 3.01Å; N61-Q65 PolarHBondContact OD1-NE2 3.08Å
66	Y	97.8	Very high	93.8	Very high	66 Å²	66	36.9 Å²	36.9	26%	0.259	22%	0.224	S	C	.	.	H	α-helix	trans	-113.4	-7	-168.2	-53.6	-45.3	0	0	0	115.2	N61 C62 V68 D348 S350 K351	N61-Y66 WeakPolarHBondContact O-CD2 3.36Å; N61-Y66 PolarHBondContact O-N 2.94Å; C62-Y66 CarbonylContact O-C 3.54Å; C62-Y66 WeakPolarHBondContact O-CB 3.34Å; C62-Y66 PolarHBondContact O-N 2.78Å; Y66-V68 VanDerWaalsContact C-N 3.27Å; Y66-V68 PolarHBondContact O-N 3.45Å; Y66-D348 WeakPolarHBondContact CE2-O 3.07Å; Y66-S350 VanDerWaalsContact CE2-C 3.42Å; Y66-K351 HydrophobicContact CD1-CB 3.91Å; Y66-K351 HydrophobicContact CD2-CB 4.3Å; Y66-K351 HydrophobicContact CG-CB 3.73Å; Y66-K351 HydrophobicContact CG-CG 4.39Å; Y66-K351 WeakPolarHBondContact O-CE 3.36Å
67	G	97.1	Very high	93.6	Very high	64 Å²	64	37.1 Å²	37.1	66%	0.66	23%	0.225	S	C	*	.			trans	66.8	26.8	-179.2	0	0	0	0	0	113.7	C62 L63	C62-G67 PolarHBondContact O-N 2.04Å; C62-G67 VanDerWaalsContact O-N 3.11Å; L63-G67 WeakPolarHBondContact O-CA 3.03Å; L63-G67 PolarHBondContact O-N 3.04Å; L63-G67 VanDerWaalsContact O-N 3.15Å
68	V	97.3	Very high	93.5	Very high	12 Å²	12	38 Å²	38	7%	0.073	23%	0.231	C	C	.	.			trans	-105.8	99.1	178.2	-174.6	0	0	0	0	108.6	C62 L63 Y66 L70 K351 C354 E355 K358	C62-V68 CarbonylContact C-O 3.29Å; C62-V68 HydrophobicContact CB-CB 4.46Å; C62-V68 WeakPolarHBondContact CB-O 3.27Å; C62-V68 PolarHBondContact O-N 3.46Å; L63-V68 PolarHBondContact N-O 3.49Å; Y66-V68 VanDerWaalsContact C-N 3.27Å; Y66-V68 PolarHBondContact O-N 3.45Å; V68-L70 HydrophobicContact CG1-CD2 4.38Å; V68-K351 HydrophobicContact CG2-CG 4.13Å; V68-C354 HydrophobicContact CB-CB 3.94Å; V68-C354 HydrophobicContact CG1-CB 3.97Å; V68-C354 HydrophobicContact CG2-CB 4.13Å; V68-E355 HydrophobicContact CG2-CG 3.97Å; V68-K358 HydrophobicContact CG1-CB 4.09Å; V68-K358 HydrophobicContact CG1-CD 4.06Å
69	D	94.6	Very high	93.6	Very high	69 Å²	69	40.7 Å²	40.7	37%	0.369	24%	0.243	S	C	.	.			trans	-75.8	125.4	171.8	-161.5	-37.9	0	0	0	109.7	L63 D71 K358	L63-D69 HydrophobicContact CD1-CB 4.12Å; D69-D71 PolarHBondContact O-N 2.69Å; D69-D71 WeakPolarHBondContact OD1-CA 3.04Å; D69-D71 PolarHBondContact OD1-N 2.85Å; D69-K358 WeakPolarHBondContact O-CD 3.32Å; D69-K358 VanDerWaalsContact O-CE 3.23Å; D69-K358 WeakPolarHBondContact O-CE 3.16Å; D69-K358 PolarHBondContact O-NZ 2.74Å
70	L	94.7	Very high	93.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.244	C	C	.	.			trans	-77.5	-8.4	178	-62.2	-166.8	0	0	0	112.7	W55 T59 C62 V68 L72 E83 V357 K358 I361	W55-L70 HydrophobicContact CZ2-CD1 4.03Å; T59-L70 HydrophobicContact CG2-CD1 3.91Å; C62-L70 HydrophobicContact CB-CD2 4.46Å; C62-L70 HydrophobicContact CB-CG 4.49Å; V68-L70 HydrophobicContact CG1-CD2 4.38Å; L70-L72 HydrophobicContact CB-CD1 4.04Å; L70-L72 HydrophobicContact CB-CG 3.9Å; L70-L72 HydrophobicContact CD1-CD1 4.27Å; L70-L72 PolarHBondContact O-N 2.96Å; L70-E83 WeakPolarHBondContact CD1-OE2 3.48Å; L70-V357 HydrophobicContact CD1-CG1 3.99Å; L70-V357 HydrophobicContact CD2-CG1 4.17Å; L70-K358 HydrophobicContact CD2-CB 3.99Å; L70-I361 HydrophobicContact CB-CD1 4.03Å; L70-I361 HydrophobicContact CD1-CD1 4.07Å; L70-I361 HydrophobicContact CD2-CD1 4.31Å; L70-I361 HydrophobicContact CG-CD1 4.37Å
71	D	88.7	Confident	93.3	Very high	48 Å²	48	44.7 Å²	44.7	26%	0.257	26%	0.262	S	S	.	.			trans	52.3	18.9	178.5	-75.2	-69.9	0	0	0	114.4	D69 G73 M74 K358	D69-D71 PolarHBondContact O-N 2.69Å; D69-D71 WeakPolarHBondContact OD1-CA 3.04Å; D69-D71 PolarHBondContact OD1-N 2.85Å; D71-G73 PolarHBondContact O-N 2.98Å; D71-M74 HydrophobicContact CB-CB 4.43Å; D71-M74 HydrophobicContact CB-CE 3.43Å; D71-M74 VanDerWaalsContact CB-CE 3.43Å; D71-M74 WeakPolarHBondContact O-CB 3.43Å; D71-M74 PolarHBondContact O-N 3.33Å; D71-K358 IonicContact OD2-NZ 3.38Å; D71-K358 PolarHBondContact OD2-NZ 3.19Å
72	L	92.3	Very high	92.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-50.1	-36.8	-167.2	-72.4	161.2	0	0	0	114.3	W55 L70 M74 F75 I77 E83 I361	W55-L72 HydrophobicContact CB-CD1 4.2Å; W55-L72 HydrophobicContact CD2-CD1 3.71Å; W55-L72 HydrophobicContact CD2-CD2 4.11Å; W55-L72 HydrophobicContact CE3-CD1 4.39Å; W55-L72 HydrophobicContact CE3-CD2 3.95Å; W55-L72 HydrophobicContact CG-CD1 3.62Å; W55-L72 HydrophobicContact CZ2-CD1 4.44Å; W55-L72 HydrophobicContact CZ3-CD2 4.25Å; L70-L72 HydrophobicContact CB-CD1 4.04Å; L70-L72 HydrophobicContact CB-CG 3.9Å; L70-L72 HydrophobicContact CD1-CD1 4.27Å; L70-L72 PolarHBondContact O-N 2.96Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 3.04Å; L72-F75 PolarHBondContact O-N 3.46Å; L72-F75 VanDerWaalsContact O-N 3.12Å; L72-I77 HydrophobicContact CB-CB 4.21Å; L72-I77 HydrophobicContact CB-CG2 4.4Å; L72-I77 HydrophobicContact CD2-CB 4.35Å; L72-I77 HydrophobicContact CD2-CD1 3.7Å; L72-I77 HydrophobicContact CD2-CG2 4.17Å; L72-I77 WeakPolarHBondContact O-CB 3.38Å; L72-I77 PolarHBondContact O-N 2.93Å; L72-E83 HydrophobicContact CD1-CG 4.46Å; L72-I361 HydrophobicContact CD2-CD1 3.74Å; L72-I361 HydrophobicContact CD2-CG1 4.27Å; L72-I361 HydrophobicContact CD2-CG2 4.31Å; L72-I361 HydrophobicContact CG-CD1 4.4Å
73	G	86.9	Confident	92.6	Very high	48 Å²	48	49 Å²	49	50%	0.495	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-60.5	-29.7	175.6	0	0	0	0	0	115.1	D71 F75 S76	D71-G73 PolarHBondContact O-N 2.98Å; G73-F75 PolarHBondContact O-N 2.91Å; G73-F75 VanDerWaalsContact O-N 3.17Å; G73-S76 PolarHBondContact O-N 3.43Å
74	M	85.1	Confident	92.4	Very high	22 Å²	22	46.6 Å²	46.6	11%	0.108	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55.9	-31.5	173.9	161.8	168.4	25.6	0	0	111.8	D71 L72 T420 Y422	D71-M74 HydrophobicContact CB-CB 4.43Å; D71-M74 HydrophobicContact CB-CE 3.43Å; D71-M74 VanDerWaalsContact CB-CE 3.43Å; D71-M74 WeakPolarHBondContact O-CB 3.43Å; D71-M74 PolarHBondContact O-N 3.33Å; L72-M74 VanDerWaalsContact C-N 3.3Å; L72-M74 PolarHBondContact O-N 3.04Å; M74-T420 WeakPolarHBondContact CB-O 3.44Å; M74-T420 VanDerWaalsContact CG-O 3.3Å; M74-T420 WeakPolarHBondContact CG-O 3.38Å; M74-T420 WeakPolarHBondContact SD-CB 3.38Å; M74-T420 HydrophobicContact SD-CG2 3.64Å; M74-Y422 HydrophobicContact CG-CD2 3.48Å; M74-Y422 VanDerWaalsContact CG-CD2 3.48Å; M74-Y422 HydrophobicContact CG-CE2 3.66Å; M74-Y422 HydrophobicContact SD-CD2 3.89Å; M74-Y422 HydrophobicContact SD-CE2 3.5Å; M74-Y422 WeakPolarHBondContact SD-CE2 3.49Å
75	F	87.6	Confident	92.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-96.4	9.2	-176.6	-54.7	-78.2	0	0	0	113.3	L72 G73 I77 I361 G366 P367 V369 V370 Y422	L72-F75 PolarHBondContact O-N 3.46Å; L72-F75 VanDerWaalsContact O-N 3.12Å; G73-F75 PolarHBondContact O-N 2.91Å; G73-F75 VanDerWaalsContact O-N 3.17Å; F75-I77 HydrophobicContact CB-CD1 4.09Å; F75-I77 HydrophobicContact CB-CG1 4.13Å; F75-I77 PolarHBondContact O-N 3.47Å; F75-I361 HydrophobicContact CD2-CG2 3.79Å; F75-I361 HydrophobicContact CE2-CG2 3.54Å; F75-I361 HydrophobicContact CZ-CG2 4.26Å; F75-G366 VanDerWaalsContact CG-CA 3.43Å; F75-P367 HydrophobicContact CE1-CG 4.44Å; F75-V369 WeakPolarHBondContact O-CG1 3.49Å; F75-V370 HydrophobicContact CB-CG2 4.17Å; F75-V370 HydrophobicContact CD1-CG2 4.2Å; F75-Y422 AromaticContact CD1-CD2 3.78Å; F75-Y422 HydrophobicContact CD1-CD2 3.78Å; F75-Y422 AromaticContact CD1-CE2 3.59Å; F75-Y422 HydrophobicContact CD1-CE2 3.59Å; F75-Y422 AromaticContact CE1-CD2 3.81Å; F75-Y422 HydrophobicContact CE1-CD2 3.81Å; F75-Y422 AromaticContact CE1-CE2 3.1Å; F75-Y422 HydrophobicContact CE1-CE2 3.1Å; F75-Y422 AromaticContact CE1-CZ 3.77Å; F75-Y422 AromaticContact CZ-CE2 3.83Å; F75-Y422 HydrophobicContact CZ-CE2 3.83Å
76	S	85.4	Confident	91.8	Very high	51 Å²	51	40.3 Å²	40.3	36%	0.357	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	26.4	-170	-50.3	0	0	0	0	113.7	G73	G73-S76 PolarHBondContact O-N 3.43Å
77	I	93.9	Very high	91.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.2	168.2	-59.9	167.5	0	0	0	107.4	T53 W55 L72 F75 L365 V369	T53-I77 HydrophobicContact CG2-CG1 4.04Å; T53-I77 HydrophobicContact CG2-CG2 4.22Å; W55-I77 HydrophobicContact CB-CG2 3.86Å; L72-I77 HydrophobicContact CB-CB 4.21Å; L72-I77 HydrophobicContact CB-CG2 4.4Å; L72-I77 HydrophobicContact CD2-CB 4.35Å; L72-I77 HydrophobicContact CD2-CD1 3.7Å; L72-I77 HydrophobicContact CD2-CG2 4.17Å; L72-I77 WeakPolarHBondContact O-CB 3.38Å; L72-I77 PolarHBondContact O-N 2.93Å; F75-I77 HydrophobicContact CB-CD1 4.09Å; F75-I77 HydrophobicContact CB-CG1 4.13Å; F75-I77 PolarHBondContact O-N 3.47Å; I77-L365 HydrophobicContact CD1-CD2 4.25Å; I77-V369 HydrophobicContact CD1-CG2 4.37Å; I77-V369 HydrophobicContact CG1-CB 4.42Å; I77-V369 HydrophobicContact CG1-CG1 3.91Å; I77-V369 HydrophobicContact CG1-CG2 4.37Å
78	V	94.5	Very high	91.2	Very high	20 Å²	20	39.4 Å²	39.4	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.7	177.5	177.3	0	0	0	0	108.9	F46 L52 T53 V54 W55 N89	F46-V78 HydrophobicContact CE1-CG1 4.47Å; F46-V78 HydrophobicContact CE2-CG1 4.34Å; F46-V78 HydrophobicContact CZ-CG1 3.71Å; L52-V78 HydrophobicContact CD2-CG2 4.26Å; T53-V78 PolarHBondContact O-N 3.45Å; V54-V78 CarbonylContact C-O 3.6Å; V54-V78 WeakPolarHBondContact CA-O 3.41Å; V54-V78 HydrophobicContact CG2-CB 4.33Å; W55-V78 PolarHBondContact N-O 2.8Å; V78-N89 HydrophobicContact CG1-CB 3.71Å
79	Q	94.1	Very high	91.1	Very high	55 Å²	55	40.6 Å²	40.6	26%	0.257	23%	0.227	S	C	.	.			trans	-140.6	154.6	-178.4	64.6	180	8.5	0	0	110.8	W55 N89	W55-Q79 HydrophobicContact CB-CB 4.21Å; Q79-N89 PolarHBondContact O-ND2 2.84Å
80	N	95	Very high	91.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	21%	0.209	C	C	.	.			trans	-70.2	159.7	167.5	-70.9	-31	0	0	0	111.5	N82 E83 T84 G87 E88 N89 V90	N80-N82 PolarHBondContact O-N 2.96Å; N80-E83 PolarHBondContact O-N 3.35Å; N80-T84 PolarHBondContact ND2-O 3.1Å; N80-G87 PolarHBondContact ND2-N 2.97Å; N80-G87 VanDerWaalsContact OD1-C 3.26Å; N80-G87 WeakPolarHBondContact OD1-CA 3.27Å; N80-E88 VanDerWaalsContact CA-OE1 3.31Å; N80-E88 WeakPolarHBondContact CA-OE1 3.35Å; N80-E88 PolarHBondContact OD1-N 3.39Å; N80-N89 PolarHBondContact OD1-N 3.12Å; N80-V90 WeakPolarHBondContact ND2-CG1 3.03Å; N80-V90 PolarHBondContact ND2-O 2.03Å; N80-V90 PolarHBondContact OD1-N 2.85Å; N80-V90 PolarHBondContact OD1-O 2.9Å
81	Q	90.4	Very high	91.3	Very high	140 Å²	140	37.3 Å²	37.3	65%	0.654	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-53.9	134.6	164.9	-170.6	174	13.1	0	0	110.8	E83 E88	Q81-E83 PolarHBondContact O-N 2.83Å; Q81-E88 PolarHBondContact N-OE1 3.28Å; Q81-E88 PolarHBondContact N-OE2 3.43Å; Q81-E88 VanDerWaalsContact N-OE2 3.16Å
82	N	89.1	Confident	91.8	Very high	116 Å²	116	35.1 Å²	35.1	62%	0.62	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	57.5	19.2	-175.8	-52	-26	0	0	0	115	E60 N80 T84	E60-N82 WeakPolarHBondContact CA-O 3.47Å; E60-N82 VanDerWaalsContact CB-O 3.25Å; E60-N82 WeakPolarHBondContact CB-O 3.28Å; N80-N82 PolarHBondContact O-N 2.96Å; N82-T84 VanDerWaalsContact C-N 3.27Å; N82-T84 HydrophobicContact CB-CG2 4.13Å; N82-T84 PolarHBondContact O-N 3.03Å
83	E	89.9	Confident	92.1	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.056	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	57.4	34.9	174.9	-59.6	172.6	-151.2	0	0	114.1	P58 T59 L70 L72 N80 Q81	P58-E83 WeakPolarHBondContact CA-O 3.01Å; T59-E83 WeakPolarHBondContact CB-OE2 3.39Å; T59-E83 PolarHBondContact N-O 2.81Å; T59-E83 VanDerWaalsContact N-O 3.1Å; T59-E83 WeakPolarHBondContact OG1-CB 3.31Å; T59-E83 PolarHBondContact OG1-OE2 2.92Å; L70-E83 WeakPolarHBondContact CD1-OE2 3.48Å; L72-E83 HydrophobicContact CD1-CG 4.46Å; N80-E83 PolarHBondContact O-N 3.35Å; Q81-E83 PolarHBondContact O-N 2.83Å
84	T	92	Very high	92.6	Very high	39 Å²	39	35.3 Å²	35.3	24%	0.239	18%	0.184	C	C	.	.			trans	-91.9	165.1	-178.6	68.6	0	0	0	0	112.9	E60 N80 N82 I86	E60-T84 HydrophobicContact CB-CG2 4.39Å; N80-T84 PolarHBondContact ND2-O 3.1Å; N82-T84 VanDerWaalsContact C-N 3.27Å; N82-T84 HydrophobicContact CB-CG2 4.13Å; N82-T84 PolarHBondContact O-N 3.03Å; T84-I86 VanDerWaalsContact C-N 3.29Å; T84-I86 PolarHBondContact O-N 2.82Å; T84-I86 PolarHBondContact OG1-O 2.63Å
85	F	91.1	Very high	93	Very high	31 Å²	31	35.5 Å²	35.5	14%	0.136	19%	0.188	C	C	.	.	S	Bend	trans	-66.5	-20.7	175.9	-79.9	-52.8	0	0	0	115.6	N56 P58 I92 Y94 W342 G343	N56-F85 WeakPolarHBondContact O-CE1 3.26Å; P58-F85 HydrophobicContact CB-CD2 4.01Å; P58-F85 HydrophobicContact CB-CE2 3.81Å; P58-F85 HydrophobicContact CB-CZ 4.2Å; P58-F85 VanDerWaalsContact CD-CZ 3.43Å; P58-F85 HydrophobicContact CG-CD2 4.24Å; P58-F85 HydrophobicContact CG-CE1 4.33Å; P58-F85 HydrophobicContact CG-CE2 3.52Å; P58-F85 HydrophobicContact CG-CZ 3.59Å; F85-I92 HydrophobicContact CB-CG2 3.84Å; F85-I92 HydrophobicContact CD1-CG2 3.76Å; F85-I92 HydrophobicContact CG-CG2 4.05Å; F85-I92 PolarHBondContact O-N 2.91Å; F85-Y94 HydrophobicContact CD1-CE2 4.38Å; F85-Y94 AromaticContact CD2-CE2 3.92Å; F85-Y94 HydrophobicContact CD2-CE2 3.92Å; F85-Y94 WeakPolarHBondContact CE1-OH 3.4Å; F85-Y94 HydrophobicContact CE2-CE2 4.04Å; F85-Y94 HydrophobicContact CG-CE2 4.09Å; F85-Y94 HydrophobicContact CZ-CE2 4.32Å; F85-Y94 WeakPolarHBondContact CZ-OH 3.22Å; F85-W342 AromaticContact CE1-NE1 3.69Å; F85-G343 WeakPolarHBondContact CZ-O 3.41Å
86	I	90.9	Very high	93.4	Very high	47 Å²	47	40.1 Å²	40.1	24%	0.241	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-132.1	109.7	-170.6	-61.1	179.9	0	0	0	109	T84 T91 Y135	T84-I86 VanDerWaalsContact C-N 3.29Å; T84-I86 PolarHBondContact O-N 2.82Å; T84-I86 PolarHBondContact OG1-O 2.63Å; I86-T91 HydrophobicContact CB-CG2 4.48Å; I86-T91 HydrophobicContact CG1-CG2 4.3Å; I86-T91 HydrophobicContact CG2-CG2 3.88Å; I86-Y135 HydrophobicContact CD1-CD1 3.71Å; I86-Y135 HydrophobicContact CD1-CE1 3.93Å; I86-Y135 HydrophobicContact CD1-CG 4.31Å; I86-Y135 HydrophobicContact CG2-CD1 3.98Å; I86-Y135 HydrophobicContact CG2-CG 4.41Å
87	G	91.1	Very high	93.9	Very high	18 Å²	18	40.3 Å²	40.3	19%	0.186	21%	0.208	C	C	.	.	S	Bend	trans	-168.4	-165.2	-179.2	0	0	0	0	0	113.2	N80 N89 V90 T91	N80-G87 PolarHBondContact ND2-N 2.97Å; N80-G87 VanDerWaalsContact OD1-C 3.26Å; N80-G87 WeakPolarHBondContact OD1-CA 3.27Å; G87-N89 VanDerWaalsContact C-N 3.32Å; G87-N89 PolarHBondContact O-N 2.98Å; G87-V90 PolarHBondContact N-O 3.4Å; G87-T91 PolarHBondContact N-OG1 3.45Å; G87-T91 PolarHBondContact O-OG1 2.87Å; G87-T91 VanDerWaalsContact O-OG1 3.05Å
88	E	90.9	Very high	94.1	Very high	93 Å²	93	40.2 Å²	40.2	44%	0.435	21%	0.207	S	C	.	.	S	Bend	trans	-70.5	-21.7	-168.4	73.4	-66.9	165.2	0	0	114.8	N80 Q81 F141	N80-E88 VanDerWaalsContact CA-OE1 3.31Å; N80-E88 WeakPolarHBondContact CA-OE1 3.35Å; N80-E88 PolarHBondContact OD1-N 3.39Å; Q81-E88 PolarHBondContact N-OE1 3.28Å; Q81-E88 PolarHBondContact N-OE2 3.43Å; Q81-E88 VanDerWaalsContact N-OE2 3.16Å; E88-F141 VanDerWaalsContact O-CE2 3.28Å; E88-F141 WeakPolarHBondContact O-CE2 3.37Å
89	N	94.4	Very high	94.3	Very high	37 Å²	37	39.7 Å²	39.7	20%	0.198	21%	0.206	C	C	.	.	S	Bend	trans	-105.9	-34.7	-177.4	-73.8	-55.1	0	0	0	112.5	F46 V78 Q79 N80 G87 G143 L144	F46-N89 VanDerWaalsContact CE2-O 3.27Å; F46-N89 WeakPolarHBondContact CE2-O 3.27Å; F46-N89 HydrophobicContact CZ-CB 3.91Å; F46-N89 WeakPolarHBondContact CZ-OD1 3.47Å; V78-N89 HydrophobicContact CG1-CB 3.71Å; Q79-N89 PolarHBondContact O-ND2 2.84Å; N80-N89 PolarHBondContact OD1-N 3.12Å; G87-N89 VanDerWaalsContact C-N 3.32Å; G87-N89 PolarHBondContact O-N 2.98Å; N89-G143 VanDerWaalsContact O-CA 3.24Å; N89-G143 WeakPolarHBondContact O-CA 3.48Å; N89-L144 PolarHBondContact O-N 2.9Å
90	V	97.1	Very high	94.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	137	172.4	53.5	0	0	0	0	110.8	V54 N56 N80 G87 L144	V54-V90 HydrophobicContact CG1-CB 4.1Å; V54-V90 HydrophobicContact CG1-CG1 3.89Å; N56-V90 HydrophobicContact CB-CG1 4.25Å; N56-V90 HydrophobicContact CB-CG2 4.44Å; N80-V90 WeakPolarHBondContact ND2-CG1 3.03Å; N80-V90 PolarHBondContact ND2-O 2.03Å; N80-V90 PolarHBondContact OD1-N 2.85Å; N80-V90 PolarHBondContact OD1-O 2.9Å; G87-V90 PolarHBondContact N-O 3.4Å; V90-L144 CarbonylContact C-O 3.55Å; V90-L144 WeakPolarHBondContact CA-O 3.13Å; V90-L144 HydrophobicContact CB-CB 4.17Å; V90-L144 HydrophobicContact CG2-CB 3.99Å
91	T	97.8	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.5	169.5	-75	0	0	0	0	108.7	I86 G87 F93 I136 L144 V146	I86-T91 HydrophobicContact CB-CG2 4.48Å; I86-T91 HydrophobicContact CG1-CG2 4.3Å; I86-T91 HydrophobicContact CG2-CG2 3.88Å; G87-T91 PolarHBondContact N-OG1 3.45Å; G87-T91 PolarHBondContact O-OG1 2.87Å; G87-T91 VanDerWaalsContact O-OG1 3.05Å; T91-F93 HydrophobicContact CG2-CD1 4.46Å; T91-F93 HydrophobicContact CG2-CD2 4.05Å; T91-F93 HydrophobicContact CG2-CE1 4.08Å; T91-F93 HydrophobicContact CG2-CE2 3.61Å; T91-F93 HydrophobicContact CG2-CG 4.46Å; T91-F93 HydrophobicContact CG2-CZ 3.63Å; T91-I136 HydrophobicContact CG2-CD1 4.01Å; T91-I136 HydrophobicContact CG2-CG1 3.86Å; T91-L144 PolarHBondContact N-O 2.85Å; T91-V146 PolarHBondContact O-N 2.92Å
92	I	98.1	Very high	95.1	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.9	173.6	-170.8	170.5	0	0	0	110.9	F85 Y94 V146 D148 Y307	F85-I92 HydrophobicContact CB-CG2 3.84Å; F85-I92 HydrophobicContact CD1-CG2 3.76Å; F85-I92 HydrophobicContact CG-CG2 4.05Å; F85-I92 PolarHBondContact O-N 2.91Å; I92-Y94 HydrophobicContact CD1-CE1 4Å; I92-Y94 HydrophobicContact CG1-CE1 4.39Å; I92-Y94 HydrophobicContact CG2-CE2 3.85Å; I92-V146 CarbonylContact C-O 3.6Å; I92-V146 WeakPolarHBondContact CA-O 3.34Å; I92-V146 HydrophobicContact CB-CB 4.45Å; I92-V146 HydrophobicContact CG1-CB 4.27Å; I92-V146 HydrophobicContact CG1-CG1 4.34Å; I92-D148 HydrophobicContact CD1-CB 3.99Å; I92-D148 HydrophobicContact CG1-CB 3.9Å; I92-Y307 HydrophobicContact CD1-CE1 4.44Å
93	F	98.3	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	92.2	179.5	-65.9	-82	0	0	0	110.5	T91 K97 L98 Y135 I136 V146 V147 D148 W218	T91-F93 HydrophobicContact CG2-CD1 4.46Å; T91-F93 HydrophobicContact CG2-CD2 4.05Å; T91-F93 HydrophobicContact CG2-CE1 4.08Å; T91-F93 HydrophobicContact CG2-CE2 3.61Å; T91-F93 HydrophobicContact CG2-CG 4.46Å; T91-F93 HydrophobicContact CG2-CZ 3.63Å; F93-K97 HydrophobicContact CB-CB 4.45Å; F93-K97 HydrophobicContact CD1-CB 4.22Å; F93-K97 WeakPolarHBondContact CD1-O 3.44Å; F93-L98 HydrophobicContact CB-CB 3.9Å; F93-L98 HydrophobicContact CB-CD2 4.18Å; F93-L98 HydrophobicContact CD1-CB 3.94Å; F93-L98 HydrophobicContact CD1-CD1 4.23Å; F93-L98 HydrophobicContact CD1-CG 4.47Å; F93-L98 HydrophobicContact CD2-CD2 4.33Å; F93-L98 HydrophobicContact CE1-CD1 4.23Å; F93-L98 HydrophobicContact CG-CB 4.09Å; F93-L98 HydrophobicContact CG-CD2 4.13Å; F93-Y135 HydrophobicContact CD1-CD2 4.4Å; F93-Y135 AromaticContact CE1-CD2 3.96Å; F93-Y135 HydrophobicContact CE1-CD2 3.96Å; F93-Y135 HydrophobicContact CE1-CG 4.27Å; F93-I136 HydrophobicContact CE2-CD1 3.86Å; F93-I136 HydrophobicContact CZ-CD1 3.77Å; F93-I136 HydrophobicContact CZ-CG1 4.05Å; F93-V146 PolarHBondContact N-O 3.25Å; F93-V147 HydrophobicContact CD2-CG2 4.5Å; F93-D148 PolarHBondContact O-N 2.81Å; F93-W218 HydrophobicContact CD2-CZ3 4.16Å; F93-W218 AromaticContact CE2-CH2 3.63Å; F93-W218 HydrophobicContact CE2-CH2 3.63Å; F93-W218 AromaticContact CE2-CZ3 3.61Å; F93-W218 HydrophobicContact CE2-CZ3 3.61Å; F93-W218 HydrophobicContact CZ-CH2 4.05Å; F93-W218 HydrophobicContact CZ-CZ3 4.4Å
94	Y	97.1	Very high	95.9	Very high	53 Å²	53	31.8 Å²	31.8	21%	0.208	16%	0.162	C	C	.	.			trans	-62.3	167.2	170.7	-64.6	-66.5	0	0	0	112.5	F85 I92 D96 K97 D148 W342	F85-Y94 HydrophobicContact CD1-CE2 4.38Å; F85-Y94 AromaticContact CD2-CE2 3.92Å; F85-Y94 HydrophobicContact CD2-CE2 3.92Å; F85-Y94 WeakPolarHBondContact CE1-OH 3.4Å; F85-Y94 HydrophobicContact CE2-CE2 4.04Å; F85-Y94 HydrophobicContact CG-CE2 4.09Å; F85-Y94 HydrophobicContact CZ-CE2 4.32Å; F85-Y94 WeakPolarHBondContact CZ-OH 3.22Å; I92-Y94 HydrophobicContact CD1-CE1 4Å; I92-Y94 HydrophobicContact CG1-CE1 4.39Å; I92-Y94 HydrophobicContact CG2-CE2 3.85Å; Y94-D96 PolarHBondContact O-N 3.43Å; Y94-K97 PolarHBondContact O-N 3.38Å; Y94-D148 HydrophobicContact CD1-CB 4.05Å; Y94-D148 WeakPolarHBondContact CD1-OD2 3.3Å; Y94-D148 HydrophobicContact CE1-CB 4.44Å; Y94-D148 WeakPolarHBondContact CE1-OD2 3.36Å; Y94-W342 PolarHBondContact OH-NE1 2.82Å; Y94-W342 VanDerWaalsContact OH-NE1 3.07Å
95	A	94.8	Very high	96.1	Very high	25 Å²	25	30.9 Å²	30.9	21%	0.207	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	9.3	-174.2	0	0	0	0	0	117.6	Y101 R103 D148	A95-Y101 HydrophobicContact CB-CD1 3.82Å; A95-Y101 HydrophobicContact CB-CE1 3.93Å; A95-R103 PolarHBondContact O-NE 3.19Å; A95-R103 VanDerWaalsContact O-NE 3.12Å; A95-D148 PolarHBondContact N-O 3.11Å
96	D	94.7	Very high	96.1	Very high	97 Å²	97	34.3 Å²	34.3	52%	0.519	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	7	171.7	77.5	-45.3	0	0	0	113.6	Y94	Y94-D96 PolarHBondContact O-N 3.43Å
97	K	96.9	Very high	96.2	Very high	56 Å²	56	39.2 Å²	39.2	24%	0.243	21%	0.214	C	C	.	.	S	Bend	trans	-112.1	-3.7	-172.7	-53.6	-53	179.3	-152.5	0	115.5	F93 Y94 D131 Y135	F93-K97 HydrophobicContact CB-CB 4.45Å; F93-K97 HydrophobicContact CD1-CB 4.22Å; F93-K97 WeakPolarHBondContact CD1-O 3.44Å; Y94-K97 PolarHBondContact O-N 3.38Å; K97-D131 WeakPolarHBondContact O-CB 3.36Å; K97-Y135 HydrophobicContact CB-CE2 4.23Å; K97-Y135 WeakPolarHBondContact O-CE2 3.04Å
98	L	98.2	Very high	96.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-145.4	95.6	-177.3	-172.9	65.2	0	0	0	111.1	F93 H124 A128 D131 I132 V147 W149 T205	F93-L98 HydrophobicContact CB-CB 3.9Å; F93-L98 HydrophobicContact CB-CD2 4.18Å; F93-L98 HydrophobicContact CD1-CB 3.94Å; F93-L98 HydrophobicContact CD1-CD1 4.23Å; F93-L98 HydrophobicContact CD1-CG 4.47Å; F93-L98 HydrophobicContact CD2-CD2 4.33Å; F93-L98 HydrophobicContact CE1-CD1 4.23Å; F93-L98 HydrophobicContact CG-CB 4.09Å; F93-L98 HydrophobicContact CG-CD2 4.13Å; L98-H124 PolarHBondContact O-CE1 3.01Å; L98-A128 HydrophobicContact CD1-CB 3.82Å; L98-A128 HydrophobicContact CG-CB 4.21Å; L98-D131 WeakPolarHBondContact CA-OD2 3.47Å; L98-D131 HydrophobicContact CD1-CB 4.29Å; L98-I132 HydrophobicContact CD1-CD1 4.03Å; L98-I132 HydrophobicContact CD1-CG1 3.66Å; L98-V147 HydrophobicContact CD2-CB 4.48Å; L98-V147 HydrophobicContact CD2-CG1 3.93Å; L98-V147 HydrophobicContact CD2-CG2 3.68Å; L98-W149 HydrophobicContact CD2-CZ2 4.41Å; L98-W149 HydrophobicContact CG-CZ2 4.47Å; L98-W149 WeakPolarHBondContact O-CZ2 3.42Å; L98-T205 HydrophobicContact CD2-CG2 3.67Å; L98-T205 HydrophobicContact CG-CG2 4.16Å
99	G	98.4	Very high	96.5	Very high	9 Å²	9	41.9 Å²	41.9	9%	0.093	23%	0.233	C	C	.	.	S	Bend	trans	65.7	-174.1	176.4	0	0	0	0	0	114.8	Y101 D131	G99-Y101 PolarHBondContact O-N 2.77Å; G99-D131 PolarHBondContact N-OD2 3.42Å
100	L	98.5	Very high	96.7	Very high	57 Å²	57	43 Å²	43	30%	0.298	25%	0.248	S	C	.	.			trans	-79.8	67.9	177	-59.3	176.9	0	0	0	110.4	P102 N112 H124 L127	L100-P102 WeakPolarHBondContact O-CD 3.48Å; L100-N112 VanDerWaalsContact C-ND2 3.32Å; L100-N112 WeakPolarHBondContact CA-ND2 3.03Å; L100-N112 HydrophobicContact CB-CB 4.21Å; L100-H124 HydrophobicContact CB-CB 4.2Å; L100-H124 PolarHBondContact N-ND1 3.39Å; L100-H124 VanDerWaalsContact N-ND1 3.13Å; L100-H124 PolarHBondContact O-ND1 2.68Å; L100-L127 HydrophobicContact CD2-CD2 3.56Å; L100-L127 HydrophobicContact CG-CD2 3.95Å
101	Y	98.6	Very high	96.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	26%	0.261	C	S	.	.			trans	-65	121.2	179.6	175.6	-122.5	0	0	0	110.5	A95 G99 R103 N112 H124 W149 S151 W152	A95-Y101 HydrophobicContact CB-CD1 3.82Å; A95-Y101 HydrophobicContact CB-CE1 3.93Å; G99-Y101 PolarHBondContact O-N 2.77Å; Y101-R103 HydrophobicContact CD1-CB 4.36Å; Y101-R103 HydrophobicContact CD1-CG 4.3Å; Y101-R103 HydrophobicContact CE1-CB 4.18Å; Y101-N112 PolarHBondContact N-ND2 2.83Å; Y101-N112 PolarHBondContact O-ND2 3.37Å; Y101-H124 PolarHBondContact N-ND1 2.73Å; Y101-W149 HydrophobicContact CD1-CD2 4.47Å; Y101-W149 HydrophobicContact CD1-CG 4.27Å; Y101-W149 HydrophobicContact CD2-CB 4.47Å; Y101-W149 AromaticContact CD2-CD2 3.26Å; Y101-W149 HydrophobicContact CD2-CD2 3.26Å; Y101-W149 AromaticContact CD2-CE2 3.6Å; Y101-W149 AromaticContact CD2-CE3 3.33Å; Y101-W149 HydrophobicContact CD2-CE3 3.33Å; Y101-W149 AromaticContact CD2-CG 3.79Å; Y101-W149 HydrophobicContact CD2-CG 3.79Å; Y101-W149 HydrophobicContact CD2-CH2 4.11Å; Y101-W149 HydrophobicContact CD2-CZ2 4.04Å; Y101-W149 AromaticContact CD2-CZ3 3.78Å; Y101-W149 HydrophobicContact CD2-CZ3 3.78Å; Y101-W149 HydrophobicContact CE1-CB 4.18Å; Y101-W149 HydrophobicContact CE1-CG 4.09Å; Y101-W149 HydrophobicContact CE2-CB 3.78Å; Y101-W149 AromaticContact CE2-CD2 3.37Å; Y101-W149 HydrophobicContact CE2-CD2 3.37Å; Y101-W149 AromaticContact CE2-CE3 3.32Å; Y101-W149 HydrophobicContact CE2-CE3 3.32Å; Y101-W149 AromaticContact CE2-CG 3.59Å; Y101-W149 HydrophobicContact CE2-CG 3.59Å; Y101-W149 HydrophobicContact CE2-CZ3 4.12Å; Y101-W149 AromaticContact CG-CD2 3.87Å; Y101-W149 HydrophobicContact CG-CD2 3.87Å; Y101-W149 AromaticContact CG-CE2 3.84Å; Y101-W149 HydrophobicContact CG-CE3 4.36Å; Y101-W149 HydrophobicContact CG-CG 4.13Å; Y101-W149 HydrophobicContact CG-CZ2 4.36Å; Y101-W149 AromaticContact CG-NE1 4Å; Y101-W149 AromaticContact CZ-CG 3.75Å; Y101-W149 PolarHBondContact OH-O 3.04Å; Y101-W149 VanDerWaalsContact OH-O 3.06Å; Y101-S151 WeakPolarHBondContact OH-CB 3.14Å; Y101-S151 PolarHBondContact OH-N 3.25Å; Y101-W152 HydrophobicContact CD2-CZ2 4.28Å; Y101-W152 AromaticContact CE2-CE2 3.55Å; Y101-W152 AromaticContact CE2-CZ2 3.59Å; Y101-W152 HydrophobicContact CE2-CZ2 3.59Å; Y101-W152 AromaticContact CE2-NE1 3.36Å; Y101-W152 AromaticContact CZ-NE1 3.57Å; Y101-W152 PolarHBondContact OH-N 2.79Å
102	P	98.4	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.			trans	-75.5	124.8	-179	28.2	-32.1	0	0	0	110.8	L100 P116 W152 F201	L100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-P116 HydrophobicContact CG-CB 4.34Å; P102-P116 HydrophobicContact CG-CG 4.1Å; P102-W152 HydrophobicContact CG-CZ2 4.35Å; P102-W152 VanDerWaalsContact O-CD1 3.24Å; P102-W152 PolarHBondContact O-NE1 3.05Å; P102-F201 HydrophobicContact CG-CD1 4.25Å; P102-F201 HydrophobicContact CG-CE1 4.14Å; P102-F201 HydrophobicContact CG-CZ 4.49Å
103	R	98.3	Very high	96.7	Very high	61 Å²	61	49.4 Å²	49.4	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	168	179.4	60.8	-178.6	176	88.3	-3.7	112.4	A95 Y101 I111 S151	A95-R103 PolarHBondContact O-NE 3.19Å; A95-R103 VanDerWaalsContact O-NE 3.12Å; Y101-R103 HydrophobicContact CD1-CB 4.36Å; Y101-R103 HydrophobicContact CD1-CG 4.3Å; Y101-R103 HydrophobicContact CE1-CB 4.18Å; R103-I111 HydrophobicContact CG-CB 4.16Å; R103-I111 HydrophobicContact CG-CD1 4.46Å; R103-I111 HydrophobicContact CG-CG2 4.38Å; R103-I111 PolarHBondContact N-O 2.87Å; R103-I111 VanDerWaalsContact N-O 3.09Å; R103-I111 WeakPolarHBondContact O-CA 3.4Å; R103-I111 WeakPolarHBondContact O-CB 3.39Å; R103-I111 PolarHBondContact O-N 3.31Å; R103-S151 WeakPolarHBondContact CD-OG 3.25Å
104	Y	98.1	Very high	96.7	Very high	41 Å²	41	49.4 Å²	49.4	16%	0.161	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	151.1	167.6	-70	-83.2	0	0	0	112	G108 E109 A110 G114 V115 V165 Y166	Y104-G108 WeakPolarHBondContact CD1-O 3.29Å; Y104-E109 CarbonylContact C-O 3.19Å; Y104-E109 VanDerWaalsContact CA-O 3.26Å; Y104-E109 WeakPolarHBondContact CA-O 3.48Å; Y104-A110 HydrophobicContact CD1-CB 4.29Å; Y104-A110 HydrophobicContact CE1-CB 3.84Å; Y104-G114 WeakPolarHBondContact CE2-O 2.99Å; Y104-V115 HydrophobicContact CE2-CG1 3.93Å; Y104-V165 HydrophobicContact CD1-CG2 4.15Å; Y104-V165 HydrophobicContact CD2-CB 4.39Å; Y104-V165 HydrophobicContact CD2-CG1 3.78Å; Y104-V165 HydrophobicContact CD2-CG2 3.77Å; Y104-V165 HydrophobicContact CE1-CG2 4.31Å; Y104-V165 HydrophobicContact CE2-CG1 4.43Å; Y104-V165 HydrophobicContact CE2-CG2 3.96Å; Y104-V165 HydrophobicContact CG-CG1 4.27Å; Y104-V165 HydrophobicContact CG-CG2 3.88Å; Y104-Y166 AromaticContact CD2-CD1 3.92Å; Y104-Y166 HydrophobicContact CD2-CD1 3.92Å; Y104-Y166 AromaticContact CD2-CE1 3.52Å; Y104-Y166 HydrophobicContact CD2-CE1 3.52Å; Y104-Y166 HydrophobicContact CD2-CE2 4.48Å; Y104-Y166 AromaticContact CD2-CZ 3.8Å; Y104-Y166 AromaticContact CE2-CD1 3.98Å; Y104-Y166 HydrophobicContact CE2-CD1 3.98Å; Y104-Y166 HydrophobicContact CE2-CE1 4Å; Y104-Y166 PolarHBondContact N-OH 3.26Å
105	S	95.4	Very high	96.8	Very high	19 Å²	19	46.9 Å²	46.9	13%	0.133	28%	0.276	C	S	.	.			trans	-74.1	168.7	166.1	76.5	0	0	0	0	110.9	Q107 G108 E109	S105-Q107 PolarHBondContact O-N 3.14Å; S105-Q107 PolarHBondContact OG-N 2.68Å; S105-Q107 PolarHBondContact OG-OE1 3.38Å; S105-G108 PolarHBondContact O-N 2.84Å; S105-G108 PolarHBondContact OG-N 3.02Å; S105-E109 PolarHBondContact N-O 2.94Å; S105-E109 WeakPolarHBondContact OG-CB 3.34Å; S105-E109 PolarHBondContact OG-N 3.33Å; S105-E109 PolarHBondContact OG-OE2 3.01Å
106	A	91.4	Very high	97	Very high	104 Å²	104	45.8 Å²	45.8	86%	0.86	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.1	173.2	0	0	0	0	0	112.5
107	Q	93.4	Very high	97.1	Very high	149 Å²	149	42.2 Å²	42.2	70%	0.696	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-1.9	176.1	-63	72.2	13.8	0	0	112.4	S105 E109	S105-Q107 PolarHBondContact O-N 3.14Å; S105-Q107 PolarHBondContact OG-N 2.68Å; S105-Q107 PolarHBondContact OG-OE1 3.38Å; Q107-E109 HydrophobicContact CB-CG 4.31Å
108	G	92.7	Very high	97.2	Very high	45 Å²	45	43.3 Å²	43.3	46%	0.464	26%	0.255	S	S	.	.			trans	83.7	12.6	-179.3	0	0	0	0	0	115	Y104 S105	Y104-G108 WeakPolarHBondContact CD1-O 3.29Å; S105-G108 PolarHBondContact O-N 2.84Å; S105-G108 PolarHBondContact OG-N 3.02Å
109	E	96.1	Very high	97.2	Very high	123 Å²	123	44.6 Å²	44.6	58%	0.575	26%	0.264	S	S	*	.			trans	-81.4	140.5	-179.8	-55.4	160.4	123.3	0	0	111	Y104 S105 Q107 I111	Y104-E109 CarbonylContact C-O 3.19Å; Y104-E109 VanDerWaalsContact CA-O 3.26Å; Y104-E109 WeakPolarHBondContact CA-O 3.48Å; S105-E109 PolarHBondContact N-O 2.94Å; S105-E109 WeakPolarHBondContact OG-CB 3.34Å; S105-E109 PolarHBondContact OG-N 3.33Å; S105-E109 PolarHBondContact OG-OE2 3.01Å; Q107-E109 HydrophobicContact CB-CG 4.31Å; E109-I111 PolarHBondContact O-N 3.01Å
110	A	97.8	Very high	97.2	Very high	61 Å²	61	47.3 Å²	47.3	50%	0.504	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	101.1	-176.3	0	0	0	0	0	112.2	Y104	Y104-A110 HydrophobicContact CD1-CB 4.29Å; Y104-A110 HydrophobicContact CE1-CB 3.84Å
111	I	98.2	Very high	97.2	Very high	53 Å²	53	46.5 Å²	46.5	27%	0.272	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.3	173.5	-60.4	167.8	0	0	0	108.9	R103 E109 G113 G114	R103-I111 HydrophobicContact CG-CB 4.16Å; R103-I111 HydrophobicContact CG-CD1 4.46Å; R103-I111 HydrophobicContact CG-CG2 4.38Å; R103-I111 PolarHBondContact N-O 2.87Å; R103-I111 VanDerWaalsContact N-O 3.09Å; R103-I111 WeakPolarHBondContact O-CA 3.4Å; R103-I111 WeakPolarHBondContact O-CB 3.39Å; R103-I111 PolarHBondContact O-N 3.31Å; E109-I111 PolarHBondContact O-N 3.01Å; I111-G113 PolarHBondContact O-N 3.47Å; I111-G113 VanDerWaalsContact O-N 3.11Å; I111-G114 PolarHBondContact O-N 3.02Å
112	N	98	Very high	97.2	Very high	62 Å²	62	52.1 Å²	52.1	33%	0.332	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	34.5	-178.9	-57.9	-36.5	0	0	0	113.8	L100 Y101 S119	L100-N112 VanDerWaalsContact C-ND2 3.32Å; L100-N112 WeakPolarHBondContact CA-ND2 3.03Å; L100-N112 HydrophobicContact CB-CB 4.21Å; Y101-N112 PolarHBondContact N-ND2 2.83Å; Y101-N112 PolarHBondContact O-ND2 3.37Å; N112-S119 WeakPolarHBondContact O-CB 3.22Å; N112-S119 PolarHBondContact O-OG 3.24Å
113	G	97.1	Very high	97.2	Very high	19 Å²	19	52.8 Å²	52.8	20%	0.196	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-7.7	-178.3	0	0	0	0	0	115.4	I111 V115 N118	I111-G113 PolarHBondContact O-N 3.47Å; I111-G113 VanDerWaalsContact O-N 3.11Å; G113-V115 PolarHBondContact O-N 2.82Å; G113-N118 WeakPolarHBondContact CA-O 3.35Å; G113-N118 PolarHBondContact O-ND2 3.36Å
114	G	98.3	Very high	97.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	78.4	-45	175	0	0	0	0	0	114.8	Y104 I111 Y166	Y104-G114 WeakPolarHBondContact CE2-O 2.99Å; I111-G114 PolarHBondContact O-N 3.02Å; G114-Y166 VanDerWaalsContact O-CE1 3.29Å; G114-Y166 WeakPolarHBondContact O-CE1 3.35Å
115	V	98.8	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-127.6	152.2	177.8	-59	0	0	0	0	111.5	Y104 G113 Q117 N118 Y166 L173	Y104-V115 HydrophobicContact CE2-CG1 3.93Å; G113-V115 PolarHBondContact O-N 2.82Å; V115-Q117 HydrophobicContact CG2-CG 4.06Å; V115-Q117 VanDerWaalsContact CG2-OE1 3.31Å; V115-Q117 PolarHBondContact O-N 3.32Å; V115-N118 HydrophobicContact CG2-CB 3.73Å; V115-N118 PolarHBondContact O-N 2.72Å; V115-Y166 HydrophobicContact CG1-CD1 4.17Å; V115-L173 HydrophobicContact CG2-CD1 3.45Å; V115-L173 VanDerWaalsContact CG2-CD1 3.45Å
116	P	98.7	Very high	97.5	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.013	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-57.5	-39	-174	-28.1	37.3	0	0	0	115.5	P102 N118 S119 W152 F194 F201	P102-P116 HydrophobicContact CG-CB 4.34Å; P102-P116 HydrophobicContact CG-CG 4.1Å; P116-N118 PolarHBondContact O-N 3.23Å; P116-N118 VanDerWaalsContact O-N 3.13Å; P116-S119 PolarHBondContact O-N 2.98Å; P116-W152 HydrophobicContact CG-CD2 4.16Å; P116-W152 HydrophobicContact CG-CE3 4.43Å; P116-W152 HydrophobicContact CG-CH2 3.89Å; P116-W152 HydrophobicContact CG-CZ2 3.53Å; P116-W152 HydrophobicContact CG-CZ3 4.32Å; P116-F194 HydrophobicContact CG-CE2 4.34Å; P116-F201 HydrophobicContact CB-CD2 4Å; P116-F201 HydrophobicContact CB-CE2 4.46Å; P116-F201 WeakPolarHBondContact O-CE2 3.26Å
117	Q	98.6	Very high	97.8	Very high	23 Å²	23	54.4 Å²	54.4	11%	0.107	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-72.6	1.1	179.2	70.5	-91.3	46.6	0	0	114.4	V115 S170 L173 D193 S197	V115-Q117 HydrophobicContact CG2-CG 4.06Å; V115-Q117 VanDerWaalsContact CG2-OE1 3.31Å; V115-Q117 PolarHBondContact O-N 3.32Å; Q117-S170 PolarHBondContact NE2-OG 3.13Å; Q117-L173 HydrophobicContact CG-CD1 4.19Å; Q117-D193 HydrophobicContact CB-CB 4.1Å; Q117-D193 HydrophobicContact CG-CB 3.96Å; Q117-S197 WeakPolarHBondContact CA-OG 3.01Å; Q117-S197 WeakPolarHBondContact CB-OG 3.35Å
118	N	98.5	Very high	98.1	Very high	78 Å²	78	47.3 Å²	47.3	42%	0.417	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-121.3	19.1	179.9	-162.3	47.2	0	0	0	111.6	G113 V115 P116 L173	G113-N118 WeakPolarHBondContact CA-O 3.35Å; G113-N118 PolarHBondContact O-ND2 3.36Å; V115-N118 HydrophobicContact CG2-CB 3.73Å; V115-N118 PolarHBondContact O-N 2.72Å; P116-N118 PolarHBondContact O-N 3.23Å; P116-N118 VanDerWaalsContact O-N 3.13Å; N118-L173 HydrophobicContact CB-CD1 3.71Å
119	S	97.9	Very high	98.4	Very high	28 Å²	28	46.2 Å²	46.2	20%	0.196	26%	0.255	C	S	.	.	S	Bend	trans	-131.3	151.5	-173.2	-163.1	0	0	0	0	111.7	N112 P116 L121	N112-S119 WeakPolarHBondContact O-CB 3.22Å; N112-S119 PolarHBondContact O-OG 3.24Å; P116-S119 PolarHBondContact O-N 2.98Å; S119-L121 PolarHBondContact O-N 2.78Å
120	S	98.4	Very high	98.5	Very high	67 Å²	67	44.8 Å²	44.8	47%	0.469	25%	0.248	S	C	.	.			trans	-86.3	106.3	-179.2	-178.8	0	0	0	0	110.6	D122 G123 H124	S120-D122 VanDerWaalsContact C-N 3.31Å; S120-D122 PolarHBondContact O-N 3.48Å; S120-G123 PolarHBondContact O-N 2.74Å; S120-G123 PolarHBondContact OG-N 3.23Å; S120-H124 WeakPolarHBondContact O-CB 3.45Å; S120-H124 PolarHBondContact O-N 3.27Å
121	L	98.8	Very high	98.5	Very high	40 Å²	40	43.2 Å²	43.2	21%	0.209	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-40.1	175	-175.1	63.8	0	0	0	111.9	S119 G123 H124 L125 K200 F201 E204	S119-L121 PolarHBondContact O-N 2.78Å; L121-G123 PolarHBondContact O-N 2.64Å; L121-H124 WeakPolarHBondContact O-CB 3.47Å; L121-H124 PolarHBondContact O-N 3.12Å; L121-L125 HydrophobicContact CD1-CD1 4.07Å; L121-L125 HydrophobicContact CD1-CG 4.12Å; L121-L125 HydrophobicContact CG-CD1 3.85Å; L121-L125 HydrophobicContact CG-CG 4.31Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 VanDerWaalsContact O-CG 3.32Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 3.39Å; L121-K200 HydrophobicContact CD2-CB 4.05Å; L121-F201 HydrophobicContact CB-CE2 4.13Å; L121-F201 HydrophobicContact CB-CZ 4.34Å; L121-F201 HydrophobicContact CD1-CD1 4.21Å; L121-F201 HydrophobicContact CD1-CD2 3.93Å; L121-F201 HydrophobicContact CD1-CE1 4.39Å; L121-F201 HydrophobicContact CD1-CE2 4.1Å; L121-F201 HydrophobicContact CD1-CG 3.99Å; L121-F201 HydrophobicContact CD1-CZ 4.32Å; L121-E204 HydrophobicContact CD2-CG 4.49Å
122	D	98.7	Very high	98.5	Very high	120 Å²	120	40.7 Å²	40.7	64%	0.642	22%	0.218	S	C	*	.	H	α-helix	trans	-66.7	-36.8	177.4	-60.3	-37.8	0	0	0	112.6	S120 R126	S120-D122 VanDerWaalsContact C-N 3.31Å; S120-D122 PolarHBondContact O-N 3.48Å; D122-R126 WeakPolarHBondContact O-CB 3.22Å; D122-R126 PolarHBondContact O-N 3.43Å; D122-R126 VanDerWaalsContact O-N 3.17Å
123	G	98.8	Very high	98.6	Very high	13 Å²	13	43.9 Å²	43.9	13%	0.134	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-42.7	172.8	0	0	0	0	0	111.7	S120 L121 L127	S120-G123 PolarHBondContact O-N 2.74Å; S120-G123 PolarHBondContact OG-N 3.23Å; L121-G123 PolarHBondContact O-N 2.64Å; G123-L127 PolarHBondContact O-N 2.93Å
124	H	98.8	Very high	98.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-55.1	175.4	175.9	91.5	0	0	0	111.9	L98 L100 Y101 S120 L121 R126 L127 A128 W149 F201 T205	L98-H124 PolarHBondContact O-CE1 3.01Å; L100-H124 HydrophobicContact CB-CB 4.2Å; L100-H124 PolarHBondContact N-ND1 3.39Å; L100-H124 VanDerWaalsContact N-ND1 3.13Å; L100-H124 PolarHBondContact O-ND1 2.68Å; Y101-H124 PolarHBondContact N-ND1 2.73Å; S120-H124 WeakPolarHBondContact O-CB 3.45Å; S120-H124 PolarHBondContact O-N 3.27Å; L121-H124 WeakPolarHBondContact O-CB 3.47Å; L121-H124 PolarHBondContact O-N 3.12Å; H124-R126 VanDerWaalsContact C-N 3.29Å; H124-R126 PolarHBondContact O-N 3.04Å; H124-L127 PolarHBondContact O-N 3Å; H124-A128 WeakPolarHBondContact O-CB 3.43Å; H124-A128 PolarHBondContact O-N 3.43Å; H124-W149 AromaticContact CE1-CH2 3.39Å; H124-W149 WeakPolarHBondContact CE1-CH2 3.26Å; H124-W149 AromaticContact CE1-CZ2 3.54Å; H124-W149 AromaticContact NE2-CH2 3.49Å; H124-W149 WeakPolarHBondContact NE2-CH2 3.31Å; H124-W149 AromaticContact NE2-CZ2 3.88Å; H124-F201 HydrophobicContact CB-CD1 4.38Å; H124-F201 HydrophobicContact CB-CE1 3.61Å; H124-F201 HydrophobicContact CB-CZ 4.25Å; H124-F201 AromaticContact CG-CD1 3.88Å; H124-F201 AromaticContact CG-CE1 3.55Å; H124-F201 AromaticContact ND1-CD1 3.91Å; H124-F201 AromaticContact ND1-CE1 3.68Å; H124-T205 PolarHBondContact NE2-OG1 2.99Å; H124-T205 VanDerWaalsContact NE2-OG1 3.17Å
125	L	98.9	Very high	98.5	Very high	38 Å²	38	53.9 Å²	53.9	20%	0.199	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-29.2	-176.3	-67.8	171.9	0	0	0	112.6	L121 S129 E204 L208	L121-L125 HydrophobicContact CD1-CD1 4.07Å; L121-L125 HydrophobicContact CD1-CG 4.12Å; L121-L125 HydrophobicContact CG-CD1 3.85Å; L121-L125 HydrophobicContact CG-CG 4.31Å; L121-L125 WeakPolarHBondContact O-CB 3.38Å; L121-L125 VanDerWaalsContact O-CG 3.32Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 3.39Å; L125-S129 WeakPolarHBondContact O-CB 3.49Å; L125-S129 PolarHBondContact O-N 3.33Å; L125-E204 HydrophobicContact CD1-CB 3.96Å; L125-E204 HydrophobicContact CD2-CB 4.11Å; L125-L208 HydrophobicContact CB-CD2 4.25Å; L125-L208 HydrophobicContact CD2-CB 4.33Å; L125-L208 HydrophobicContact CD2-CD2 3.91Å; L125-L208 VanDerWaalsContact O-CD2 3.28Å; L125-L208 WeakPolarHBondContact O-CD2 3.44Å
126	R	98.8	Very high	98.5	Very high	161 Å²	161	54.1 Å²	54.1	61%	0.608	26%	0.26	S	S	*	.	H	α-helix	trans	-64.2	-51.8	173.1	-171.5	-176.4	-52.5	134.2	12.8	111.4	D122 H124 S129 E130	D122-R126 WeakPolarHBondContact O-CB 3.22Å; D122-R126 PolarHBondContact O-N 3.43Å; D122-R126 VanDerWaalsContact O-N 3.17Å; H124-R126 VanDerWaalsContact C-N 3.29Å; H124-R126 PolarHBondContact O-N 3.04Å; R126-S129 WeakPolarHBondContact O-CB 3.46Å; R126-S129 PolarHBondContact O-N 2.96Å; R126-E130 PolarHBondContact O-N 3.39Å
127	L	98.8	Very high	98.4	Very high	60 Å²	60	58.7 Å²	58.7	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-43.9	178.7	-179	61.3	0	0	0	111.2	L100 G123 H124 S129 E130 D131	L100-L127 HydrophobicContact CD2-CD2 3.56Å; L100-L127 HydrophobicContact CG-CD2 3.95Å; G123-L127 PolarHBondContact O-N 2.93Å; H124-L127 PolarHBondContact O-N 3Å; L127-S129 PolarHBondContact O-N 2.71Å; L127-E130 CarbonylContact O-C 3.59Å; L127-E130 WeakPolarHBondContact O-CA 3.41Å; L127-E130 WeakPolarHBondContact O-CB 3.28Å; L127-E130 PolarHBondContact O-N 2.93Å; L127-D131 PolarHBondContact O-N 3.41Å
128	A	98.8	Very high	98.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-35.9	174.8	0	0	0	0	0	112.2	L98 H124 E130 D131 I132 L208	L98-A128 HydrophobicContact CD1-CB 3.82Å; L98-A128 HydrophobicContact CG-CB 4.21Å; H124-A128 WeakPolarHBondContact O-CB 3.43Å; H124-A128 PolarHBondContact O-N 3.43Å; A128-E130 VanDerWaalsContact C-N 3.29Å; A128-E130 PolarHBondContact O-N 3.4Å; A128-D131 PolarHBondContact O-N 3.17Å; A128-I132 WeakPolarHBondContact O-CB 3.41Å; A128-I132 VanDerWaalsContact O-CD1 3.31Å; A128-I132 WeakPolarHBondContact O-CD1 3.43Å; A128-I132 WeakPolarHBondContact O-CG1 3.43Å; A128-I132 PolarHBondContact O-N 2.93Å; A128-L208 HydrophobicContact CB-CD2 3.93Å
129	S	98.8	Very high	98.1	Very high	23 Å²	23	66.7 Å²	66.7	16%	0.161	32%	0.32	C	S	.	.	H	α-helix	trans	-67.9	-27.9	173.8	-172.8	0	0	0	0	113	L125 R126 L127 R133 M212	L125-S129 WeakPolarHBondContact O-CB 3.49Å; L125-S129 PolarHBondContact O-N 3.33Å; R126-S129 WeakPolarHBondContact O-CB 3.46Å; R126-S129 PolarHBondContact O-N 2.96Å; L127-S129 PolarHBondContact O-N 2.71Å; S129-R133 PolarHBondContact O-N 2.75Å; S129-R133 PolarHBondContact O-NE 3.28Å; S129-R133 PolarHBondContact O-NH2 2.72Å; S129-R133 VanDerWaalsContact O-NH2 3.16Å; S129-R133 PolarHBondContact OG-NH2 3.26Å; S129-M212 WeakPolarHBondContact O-CE 3.3Å; S129-M212 PolarHBondContact OG-SD 3.19Å
130	E	98.8	Very high	98	Very high	93 Å²	93	70.6 Å²	70.6	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-77.3	-42.7	173.9	-72.3	162.6	-163.4	0	0	110.5	R126 L127 A128 R133 Y134	R126-E130 PolarHBondContact O-N 3.39Å; L127-E130 CarbonylContact O-C 3.59Å; L127-E130 WeakPolarHBondContact O-CA 3.41Å; L127-E130 WeakPolarHBondContact O-CB 3.28Å; L127-E130 PolarHBondContact O-N 2.93Å; A128-E130 VanDerWaalsContact C-N 3.29Å; A128-E130 PolarHBondContact O-N 3.4Å; E130-R133 WeakPolarHBondContact O-CB 3.35Å; E130-R133 PolarHBondContact O-N 3.4Å; E130-Y134 PolarHBondContact O-N 3.42Å
131	D	98.7	Very high	97.8	Very high	28 Å²	28	67.7 Å²	67.7	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-46.4	175	-60.7	-41	0	0	0	112.4	K97 L98 G99 L127 A128 R133 Y134 Y135	K97-D131 WeakPolarHBondContact O-CB 3.36Å; L98-D131 WeakPolarHBondContact CA-OD2 3.47Å; L98-D131 HydrophobicContact CD1-CB 4.29Å; G99-D131 PolarHBondContact N-OD2 3.42Å; L127-D131 PolarHBondContact O-N 3.41Å; A128-D131 PolarHBondContact O-N 3.17Å; D131-R133 VanDerWaalsContact C-N 3.25Å; D131-R133 PolarHBondContact O-N 3.1Å; D131-Y134 PolarHBondContact O-N 2.88Å; D131-Y135 HydrophobicContact CB-CD2 4.11Å; D131-Y135 HydrophobicContact CB-CE2 4.31Å; D131-Y135 WeakPolarHBondContact O-CD2 3.45Å; D131-Y135 PolarHBondContact O-N 2.93Å
132	I	98.7	Very high	97.6	Very high	0 Å²	0	70 Å²	70	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-35.1	176.8	-64	159.9	0	0	0	110.9	L98 A128 Y134 I136 L208 M212 R213 W218	L98-I132 HydrophobicContact CD1-CD1 4.03Å; L98-I132 HydrophobicContact CD1-CG1 3.66Å; A128-I132 WeakPolarHBondContact O-CB 3.41Å; A128-I132 VanDerWaalsContact O-CD1 3.31Å; A128-I132 WeakPolarHBondContact O-CD1 3.43Å; A128-I132 WeakPolarHBondContact O-CG1 3.43Å; A128-I132 PolarHBondContact O-N 2.93Å; I132-Y134 VanDerWaalsContact C-N 3.32Å; I132-I136 CarbonylContact O-C 3.15Å; I132-I136 PolarHBondContact O-N 3.37Å; I132-I136 VanDerWaalsContact O-O 3.05Å; I132-L208 HydrophobicContact CD1-CD2 4.25Å; I132-L208 HydrophobicContact CD1-CG 4.07Å; I132-M212 HydrophobicContact CB-CE 3.85Å; I132-M212 HydrophobicContact CB-SD 4.26Å; I132-M212 HydrophobicContact CD1-SD 4.14Å; I132-M212 HydrophobicContact CG2-CB 4.02Å; I132-M212 HydrophobicContact CG2-CE 3.73Å; I132-M212 HydrophobicContact CG2-SD 4.24Å; I132-R213 HydrophobicContact CG2-CG 3.99Å; I132-W218 HydrophobicContact CD1-CH2 4.27Å; I132-W218 HydrophobicContact CG1-CH2 3.98Å; I132-W218 HydrophobicContact CG2-CH2 4.28Å; I132-W218 HydrophobicContact CG2-CZ2 4.31Å
133	R	98.4	Very high	97.4	Very high	128 Å²	128	64.3 Å²	64.3	48%	0.483	30%	0.297	S	S	.	.	H	α-helix	trans	-68.3	-31.2	174.8	-95.1	173.5	-81	143.9	-7.1	112.6	S129 E130 D131 M212	S129-R133 PolarHBondContact O-N 2.75Å; S129-R133 PolarHBondContact O-NE 3.28Å; S129-R133 PolarHBondContact O-NH2 2.72Å; S129-R133 VanDerWaalsContact O-NH2 3.16Å; S129-R133 PolarHBondContact OG-NH2 3.26Å; E130-R133 WeakPolarHBondContact O-CB 3.35Å; E130-R133 PolarHBondContact O-N 3.4Å; D131-R133 VanDerWaalsContact C-N 3.25Å; D131-R133 PolarHBondContact O-N 3.1Å; R133-M212 HydrophobicContact CG-CE 3.83Å
134	Y	97.7	Very high	97.4	Very high	173 Å²	173	63.7 Å²	63.7	68%	0.678	29%	0.291	S	S	*	.	H	α-helix	trans	-84.9	-52.4	-178.1	179.6	-99.3	0	0	0	112.5	E130 D131 I132	E130-Y134 PolarHBondContact O-N 3.42Å; D131-Y134 PolarHBondContact O-N 2.88Å; I132-Y134 VanDerWaalsContact C-N 3.32Å
135	Y	97.3	Very high	97.4	Very high	57 Å²	57	63.7 Å²	63.7	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-80.3	-30.4	-173	-69.4	-61	0	0	0	114.1	I86 F93 K97 D131 P137	I86-Y135 HydrophobicContact CD1-CD1 3.71Å; I86-Y135 HydrophobicContact CD1-CE1 3.93Å; I86-Y135 HydrophobicContact CD1-CG 4.31Å; I86-Y135 HydrophobicContact CG2-CD1 3.98Å; I86-Y135 HydrophobicContact CG2-CG 4.41Å; F93-Y135 HydrophobicContact CD1-CD2 4.4Å; F93-Y135 AromaticContact CE1-CD2 3.96Å; F93-Y135 HydrophobicContact CE1-CD2 3.96Å; F93-Y135 HydrophobicContact CE1-CG 4.27Å; K97-Y135 HydrophobicContact CB-CE2 4.23Å; K97-Y135 WeakPolarHBondContact O-CE2 3.04Å; D131-Y135 HydrophobicContact CB-CD2 4.11Å; D131-Y135 HydrophobicContact CB-CE2 4.31Å; D131-Y135 WeakPolarHBondContact O-CD2 3.45Å; D131-Y135 PolarHBondContact O-N 2.93Å; Y135-P137 WeakPolarHBondContact O-CD 3.45Å
136	I	97.4	Very high	97.4	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	28%	0.281	C	S	.	.	S	Bend	trans	-119.5	77.1	173.9	-53	178.1	0	0	0	107.3	T91 F93 I132 D138 F141 A145 R213 W218	T91-I136 HydrophobicContact CG2-CD1 4.01Å; T91-I136 HydrophobicContact CG2-CG1 3.86Å; F93-I136 HydrophobicContact CE2-CD1 3.86Å; F93-I136 HydrophobicContact CZ-CD1 3.77Å; F93-I136 HydrophobicContact CZ-CG1 4.05Å; I132-I136 CarbonylContact O-C 3.15Å; I132-I136 PolarHBondContact O-N 3.37Å; I132-I136 VanDerWaalsContact O-O 3.05Å; I136-D138 PolarHBondContact O-N 2.8Å; I136-F141 HydrophobicContact CD1-CD1 4.43Å; I136-F141 HydrophobicContact CD1-CE1 4.16Å; I136-F141 HydrophobicContact CD1-CZ 4.36Å; I136-F141 HydrophobicContact CG2-CB 3.64Å; I136-F141 HydrophobicContact CG2-CD1 3.9Å; I136-F141 HydrophobicContact CG2-CD2 3.69Å; I136-F141 HydrophobicContact CG2-CE1 4.47Å; I136-F141 HydrophobicContact CG2-CE2 4.27Å; I136-F141 HydrophobicContact CG2-CG 3.46Å; I136-F141 VanDerWaalsContact CG2-CG 3.46Å; I136-A145 HydrophobicContact CD1-CB 4.26Å; I136-R213 HydrophobicContact CG2-CG 4.12Å; I136-R213 PolarHBondContact O-NE 3.12Å; I136-R213 PolarHBondContact O-NH2 3.31Å; I136-W218 HydrophobicContact CD1-CH2 4.03Å; I136-W218 HydrophobicContact CD1-CZ2 4.09Å
137	P	96.4	Very high	97.4	Very high	98 Å²	98	54.2 Å²	54.2	64%	0.636	25%	0.252	S	S	*	.			trans	-66.9	-37.7	-172.3	25.2	-34	0	0	0	112.9	Y135 R213	Y135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-R213 PolarHBondContact O-NH2 3.31Å
138	D	96.3	Very high	97.4	Very high	90 Å²	90	52.1 Å²	52.1	48%	0.481	24%	0.241	S	C	.	.			trans	-60.3	136.4	172.5	178.7	21.6	0	0	0	110.9	I136 D140 F141 R213	I136-D138 PolarHBondContact O-N 2.8Å; D138-D140 PolarHBondContact OD1-N 2.7Å; D138-F141 WeakPolarHBondContact OD2-CA 3.45Å; D138-F141 PolarHBondContact OD2-N 3.19Å; D138-F141 VanDerWaalsContact OD2-N 3.1Å; D138-R213 WeakPolarHBondContact O-CD 3.46Å; D138-R213 PolarHBondContact O-NE 3.27Å
139	R	95.8	Very high	97.3	Very high	179 Å²	179	52.6 Å²	52.6	68%	0.675	24%	0.243	S	C	*	.	S	Bend	trans	-87.7	-26.8	-179.5	-58	-169	66.7	179.9	-1	112.7
140	D	94.2	Very high	97.3	Very high	111 Å²	111	57.3 Å²	57.3	59%	0.594	26%	0.263	S	S	*	.	S	Bend	trans	-97.7	4.6	-174.3	-60.8	-39	0	0	0	112.6	D138 Q142	D138-D140 PolarHBondContact OD1-N 2.7Å; D140-Q142 WeakPolarHBondContact O-CG 3.49Å; D140-Q142 PolarHBondContact O-N 3.23Å
141	F	95.1	Very high	97.3	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.026	25%	0.25	C	S	.	.			trans	-35.7	125	175.2	171.6	-92.7	0	0	0	113.4	E88 I136 D138 G143 A145 S215 G216	E88-F141 VanDerWaalsContact O-CE2 3.28Å; E88-F141 WeakPolarHBondContact O-CE2 3.37Å; I136-F141 HydrophobicContact CD1-CD1 4.43Å; I136-F141 HydrophobicContact CD1-CE1 4.16Å; I136-F141 HydrophobicContact CD1-CZ 4.36Å; I136-F141 HydrophobicContact CG2-CB 3.64Å; I136-F141 HydrophobicContact CG2-CD1 3.9Å; I136-F141 HydrophobicContact CG2-CD2 3.69Å; I136-F141 HydrophobicContact CG2-CE1 4.47Å; I136-F141 HydrophobicContact CG2-CE2 4.27Å; I136-F141 HydrophobicContact CG2-CG 3.46Å; I136-F141 VanDerWaalsContact CG2-CG 3.46Å; D138-F141 WeakPolarHBondContact OD2-CA 3.45Å; D138-F141 PolarHBondContact OD2-N 3.19Å; D138-F141 VanDerWaalsContact OD2-N 3.1Å; F141-G143 VanDerWaalsContact CE1-C 3.46Å; F141-G143 VanDerWaalsContact CE1-O 3.23Å; F141-G143 WeakPolarHBondContact CE1-O 3.19Å; F141-G143 VanDerWaalsContact CZ-C 3.42Å; F141-G143 VanDerWaalsContact CZ-CA 3.46Å; F141-A145 HydrophobicContact CE1-CB 4.09Å; F141-S215 CarbonylContact O-C 3.59Å; F141-S215 WeakPolarHBondContact O-CB 3.49Å; F141-G216 WeakPolarHBondContact O-CA 3.21Å; F141-G216 PolarHBondContact O-N 2.82Å
142	Q	93.8	Very high	97.3	Very high	87 Å²	87	53 Å²	53	41%	0.407	24%	0.244	S	C	.	.			trans	-115.2	5	-176.2	-47.7	-165.7	-1.7	0	0	113.7	D140	D140-Q142 WeakPolarHBondContact O-CG 3.49Å; D140-Q142 PolarHBondContact O-N 3.23Å
143	G	95.7	Very high	97.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	25%	0.254	C	S	.	.	S	Bend	trans	-78.6	-173.3	-178.4	0	0	0	0	0	113.7	N89 F141 L217	N89-G143 VanDerWaalsContact O-CA 3.24Å; N89-G143 WeakPolarHBondContact O-CA 3.48Å; F141-G143 VanDerWaalsContact CE1-C 3.46Å; F141-G143 VanDerWaalsContact CE1-O 3.23Å; F141-G143 WeakPolarHBondContact CE1-O 3.19Å; F141-G143 VanDerWaalsContact CZ-C 3.42Å; F141-G143 VanDerWaalsContact CZ-CA 3.46Å; G143-L217 PolarHBondContact O-N 2.03Å
144	L	98.4	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.5	177.4	-50.8	179.4	0	0	0	110.5	F46 V54 N89 V90 T91 V146 L217 Y263 F305 V340	F46-L144 HydrophobicContact CD2-CD2 4.05Å; F46-L144 HydrophobicContact CD2-CG 4.16Å; F46-L144 HydrophobicContact CE2-CG 4.27Å; V54-L144 HydrophobicContact CB-CD1 4.16Å; V54-L144 HydrophobicContact CG1-CD1 4.17Å; V54-L144 HydrophobicContact CG2-CD1 3.92Å; N89-L144 PolarHBondContact O-N 2.9Å; V90-L144 CarbonylContact C-O 3.55Å; V90-L144 WeakPolarHBondContact CA-O 3.13Å; V90-L144 HydrophobicContact CB-CB 4.17Å; V90-L144 HydrophobicContact CG2-CB 3.99Å; T91-L144 PolarHBondContact N-O 2.85Å; L144-V146 HydrophobicContact CB-CG2 4.11Å; L144-L217 HydrophobicContact CD2-CB 4.18Å; L144-L217 HydrophobicContact CD2-CD1 3.79Å; L144-Y263 HydrophobicContact CB-CE1 4.32Å; L144-Y263 WeakPolarHBondContact CB-OH 3.37Å; L144-Y263 HydrophobicContact CD1-CE1 4.2Å; L144-Y263 HydrophobicContact CD2-CE1 4.1Å; L144-Y263 VanDerWaalsContact CD2-OH 3.28Å; L144-Y263 WeakPolarHBondContact CD2-OH 3.49Å; L144-Y263 HydrophobicContact CG-CE1 4.44Å; L144-F305 HydrophobicContact CD2-CD1 4.17Å; L144-F305 HydrophobicContact CD2-CD2 3.89Å; L144-F305 HydrophobicContact CD2-CE1 4.08Å; L144-F305 HydrophobicContact CD2-CE2 3.79Å; L144-F305 HydrophobicContact CD2-CG 4.08Å; L144-F305 HydrophobicContact CD2-CZ 3.89Å; L144-V340 HydrophobicContact CD1-CG2 3.54Å
145	A	98.4	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	87.7	177.6	0	0	0	0	0	109.8	I136 F141 L217 W218 G219	I136-A145 HydrophobicContact CD1-CB 4.26Å; F141-A145 HydrophobicContact CE1-CB 4.09Å; A145-L217 PolarHBondContact N-O 3.36Å; A145-W218 HydrophobicContact CB-CD2 3.48Å; A145-W218 VanDerWaalsContact CB-CD2 3.48Å; A145-W218 HydrophobicContact CB-CE3 3.64Å; A145-W218 HydrophobicContact CB-CG 3.99Å; A145-W218 HydrophobicContact CB-CH2 4Å; A145-W218 HydrophobicContact CB-CZ2 3.88Å; A145-W218 HydrophobicContact CB-CZ3 3.9Å; A145-W218 WeakPolarHBondContact O-CA 3.44Å; A145-G219 PolarHBondContact O-N 3.24Å
146	V	98.8	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.1	-166.3	-173.5	0	0	0	0	109.9	T91 I92 F93 L144 Y263 Y307	T91-V146 PolarHBondContact O-N 2.92Å; I92-V146 CarbonylContact C-O 3.6Å; I92-V146 WeakPolarHBondContact CA-O 3.34Å; I92-V146 HydrophobicContact CB-CB 4.45Å; I92-V146 HydrophobicContact CG1-CB 4.27Å; I92-V146 HydrophobicContact CG1-CG1 4.34Å; F93-V146 PolarHBondContact N-O 3.25Å; L144-V146 HydrophobicContact CB-CG2 4.11Å; V146-Y263 HydrophobicContact CG1-CD2 4.31Å; V146-Y263 HydrophobicContact CG1-CG 4.31Å; V146-Y263 HydrophobicContact CG2-CD1 4.06Å; V146-Y263 HydrophobicContact CG2-CD2 4.15Å; V146-Y263 HydrophobicContact CG2-CE1 3.79Å; V146-Y263 HydrophobicContact CG2-CE2 3.9Å; V146-Y263 HydrophobicContact CG2-CG 4.24Å; V146-Y307 HydrophobicContact CG1-CE2 3.96Å; V146-Y307 HydrophobicContact CG2-CE2 4.08Å
147	V	98.8	Very high	97.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.4	176.2	-172.6	0	0	0	0	109.5	F93 L98 W149 W218 G219 F220 Y221	F93-V147 HydrophobicContact CD2-CG2 4.5Å; L98-V147 HydrophobicContact CD2-CB 4.48Å; L98-V147 HydrophobicContact CD2-CG1 3.93Å; L98-V147 HydrophobicContact CD2-CG2 3.68Å; V147-W149 HydrophobicContact CG1-CB 4.5Å; V147-W149 HydrophobicContact CG1-CD2 3.74Å; V147-W149 HydrophobicContact CG1-CE3 4.5Å; V147-W149 HydrophobicContact CG1-CG 3.72Å; V147-W149 HydrophobicContact CG1-CZ2 4.19Å; V147-W218 HydrophobicContact CG2-CE3 4.37Å; V147-W218 HydrophobicContact CG2-CZ3 4.42Å; V147-G219 PolarHBondContact N-O 2.67Å; V147-F220 HydrophobicContact CB-CD1 3.69Å; V147-F220 HydrophobicContact CB-CE1 3.69Å; V147-F220 HydrophobicContact CB-CG 4.36Å; V147-F220 HydrophobicContact CB-CZ 4.38Å; V147-F220 HydrophobicContact CG1-CD1 3.78Å; V147-F220 HydrophobicContact CG1-CE1 3.38Å; V147-F220 HydrophobicContact CG1-CZ 4.2Å; V147-F220 WeakPolarHBondContact O-CA 3.3Å; V147-F220 WeakPolarHBondContact O-CD1 3.46Å; V147-Y221 PolarHBondContact O-N 3.27Å
148	D	98.5	Very high	97.4	Very high	16 Å²	16	37.3 Å²	37.3	9%	0.086	17%	0.174	C	C	.	.			trans	-104.3	85.5	-176.3	-173.4	14.4	0	0	0	111.4	I92 F93 Y94 A95 E150 Y221	I92-D148 HydrophobicContact CD1-CB 3.99Å; I92-D148 HydrophobicContact CG1-CB 3.9Å; F93-D148 PolarHBondContact O-N 2.81Å; Y94-D148 HydrophobicContact CD1-CB 4.05Å; Y94-D148 WeakPolarHBondContact CD1-OD2 3.3Å; Y94-D148 HydrophobicContact CE1-CB 4.44Å; Y94-D148 WeakPolarHBondContact CE1-OD2 3.36Å; A95-D148 PolarHBondContact N-O 3.11Å; D148-E150 VanDerWaalsContact OD1-CG 3.25Å; D148-E150 WeakPolarHBondContact OD1-CG 3.34Å; D148-Y221 WeakPolarHBondContact OD1-CD1 3.46Å
149	W	98.4	Very high	97.5	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.038	15%	0.152	C	C	.	.			trans	-115.7	61.4	-174.1	-79.8	11	0	0	0	111.2	L98 Y101 H124 V147 S151 M202 T205 F220	L98-W149 HydrophobicContact CD2-CZ2 4.41Å; L98-W149 HydrophobicContact CG-CZ2 4.47Å; L98-W149 WeakPolarHBondContact O-CZ2 3.42Å; Y101-W149 HydrophobicContact CD1-CD2 4.47Å; Y101-W149 HydrophobicContact CD1-CG 4.27Å; Y101-W149 HydrophobicContact CD2-CB 4.47Å; Y101-W149 AromaticContact CD2-CD2 3.26Å; Y101-W149 HydrophobicContact CD2-CD2 3.26Å; Y101-W149 AromaticContact CD2-CE2 3.6Å; Y101-W149 AromaticContact CD2-CE3 3.33Å; Y101-W149 HydrophobicContact CD2-CE3 3.33Å; Y101-W149 AromaticContact CD2-CG 3.79Å; Y101-W149 HydrophobicContact CD2-CG 3.79Å; Y101-W149 HydrophobicContact CD2-CH2 4.11Å; Y101-W149 HydrophobicContact CD2-CZ2 4.04Å; Y101-W149 AromaticContact CD2-CZ3 3.78Å; Y101-W149 HydrophobicContact CD2-CZ3 3.78Å; Y101-W149 HydrophobicContact CE1-CB 4.18Å; Y101-W149 HydrophobicContact CE1-CG 4.09Å; Y101-W149 HydrophobicContact CE2-CB 3.78Å; Y101-W149 AromaticContact CE2-CD2 3.37Å; Y101-W149 HydrophobicContact CE2-CD2 3.37Å; Y101-W149 AromaticContact CE2-CE3 3.32Å; Y101-W149 HydrophobicContact CE2-CE3 3.32Å; Y101-W149 AromaticContact CE2-CG 3.59Å; Y101-W149 HydrophobicContact CE2-CG 3.59Å; Y101-W149 HydrophobicContact CE2-CZ3 4.12Å; Y101-W149 AromaticContact CG-CD2 3.87Å; Y101-W149 HydrophobicContact CG-CD2 3.87Å; Y101-W149 AromaticContact CG-CE2 3.84Å; Y101-W149 HydrophobicContact CG-CE3 4.36Å; Y101-W149 HydrophobicContact CG-CG 4.13Å; Y101-W149 HydrophobicContact CG-CZ2 4.36Å; Y101-W149 AromaticContact CG-NE1 4Å; Y101-W149 AromaticContact CZ-CG 3.75Å; Y101-W149 PolarHBondContact OH-O 3.04Å; Y101-W149 VanDerWaalsContact OH-O 3.06Å; H124-W149 AromaticContact CE1-CH2 3.39Å; H124-W149 WeakPolarHBondContact CE1-CH2 3.26Å; H124-W149 AromaticContact CE1-CZ2 3.54Å; H124-W149 AromaticContact NE2-CH2 3.49Å; H124-W149 WeakPolarHBondContact NE2-CH2 3.31Å; H124-W149 AromaticContact NE2-CZ2 3.88Å; V147-W149 HydrophobicContact CG1-CB 4.5Å; V147-W149 HydrophobicContact CG1-CD2 3.74Å; V147-W149 HydrophobicContact CG1-CE3 4.5Å; V147-W149 HydrophobicContact CG1-CG 3.72Å; V147-W149 HydrophobicContact CG1-CZ2 4.19Å; W149-S151 PolarHBondContact O-N 3.08Å; W149-S151 VanDerWaalsContact O-N 3.15Å; W149-M202 HydrophobicContact CE3-CG 4.45Å; W149-M202 HydrophobicContact CZ3-CG 4.46Å; W149-T205 HydrophobicContact CH2-CG2 3.87Å; W149-T205 HydrophobicContact CZ2-CG2 4.18Å; W149-F220 HydrophobicContact CB-CD1 4.29Å; W149-F220 HydrophobicContact CB-CE1 4.14Å; W149-F220 AromaticContact CD2-CE1 3.82Å; W149-F220 HydrophobicContact CD2-CE1 3.82Å; W149-F220 AromaticContact CE3-CE1 3.53Å; W149-F220 HydrophobicContact CE3-CE1 3.53Å; W149-F220 HydrophobicContact CE3-CZ 4.01Å; W149-F220 HydrophobicContact CG-CE1 4.12Å; W149-F220 HydrophobicContact CZ3-CE1 4.11Å; W149-F220 HydrophobicContact CZ3-CZ 4.14Å
150	E	98	Very high	97.5	Very high	122 Å²	122	29 Å²	29	57%	0.57	14%	0.136	S	C	*	.			trans	-67.8	-9.5	-177.9	-58.4	-156.4	-76.3	0	0	115.5	D148 W152 K163 Y221	D148-E150 VanDerWaalsContact OD1-CG 3.25Å; D148-E150 WeakPolarHBondContact OD1-CG 3.34Å; E150-W152 PolarHBondContact O-N 3.48Å; E150-K163 VanDerWaalsContact O-CE 3.27Å; E150-K163 WeakPolarHBondContact O-CE 3.22Å; E150-K163 PolarHBondContact O-NZ 2.81Å; E150-Y221 HydrophobicContact CG-CD1 4.3Å; E150-Y221 HydrophobicContact CG-CE1 4.15Å
151	S	98.1	Very high	97.6	Very high	26 Å²	26	29.9 Å²	29.9	18%	0.182	14%	0.141	C	C	.	.	S	Bend	trans	-65.7	-46.4	-162.4	-64.5	0	0	0	0	113	Y101 R103 W149 K163 Y166	Y101-S151 WeakPolarHBondContact OH-CB 3.14Å; Y101-S151 PolarHBondContact OH-N 3.25Å; R103-S151 WeakPolarHBondContact CD-OG 3.25Å; W149-S151 PolarHBondContact O-N 3.08Å; W149-S151 VanDerWaalsContact O-N 3.15Å; S151-K163 PolarHBondContact O-NZ 2.94Å; S151-Y166 WeakPolarHBondContact O-CE2 3.27Å
152	W	98.4	Very high	97.6	Very high	6 Å²	6	34.5 Å²	34.5	2%	0.023	17%	0.174	C	C	.	.			trans	-130.6	166.4	172.5	52.3	-96.1	0	0	0	110.9	Y101 P102 P116 E150 P154 Y166 F194 F201 M202	Y101-W152 HydrophobicContact CD2-CZ2 4.28Å; Y101-W152 AromaticContact CE2-CE2 3.55Å; Y101-W152 AromaticContact CE2-CZ2 3.59Å; Y101-W152 HydrophobicContact CE2-CZ2 3.59Å; Y101-W152 AromaticContact CE2-NE1 3.36Å; Y101-W152 AromaticContact CZ-NE1 3.57Å; Y101-W152 PolarHBondContact OH-N 2.79Å; P102-W152 HydrophobicContact CG-CZ2 4.35Å; P102-W152 VanDerWaalsContact O-CD1 3.24Å; P102-W152 PolarHBondContact O-NE1 3.05Å; P116-W152 HydrophobicContact CG-CD2 4.16Å; P116-W152 HydrophobicContact CG-CE3 4.43Å; P116-W152 HydrophobicContact CG-CH2 3.89Å; P116-W152 HydrophobicContact CG-CZ2 3.53Å; P116-W152 HydrophobicContact CG-CZ3 4.32Å; E150-W152 PolarHBondContact O-N 3.48Å; W152-P154 HydrophobicContact CZ3-CB 4.46Å; W152-Y166 HydrophobicContact CB-CD1 3.76Å; W152-Y166 HydrophobicContact CB-CD2 3.86Å; W152-Y166 HydrophobicContact CB-CE1 3.94Å; W152-Y166 HydrophobicContact CB-CE2 4.06Å; W152-Y166 HydrophobicContact CB-CG 3.76Å; W152-Y166 AromaticContact CD1-CD1 3.93Å; W152-Y166 AromaticContact CD1-CE1 3.58Å; W152-Y166 HydrophobicContact CG-CD1 4.13Å; W152-Y166 HydrophobicContact CG-CE1 4.13Å; W152-F194 HydrophobicContact CB-CZ 4.2Å; W152-F194 HydrophobicContact CD2-CZ 4.4Å; W152-F194 HydrophobicContact CE3-CZ 4.11Å; W152-F194 HydrophobicContact CG-CZ 4.45Å; W152-F201 HydrophobicContact CH2-CB 4.37Å; W152-M202 HydrophobicContact CH2-CG 3.89Å; W152-M202 HydrophobicContact CH2-SD 4.15Å; W152-M202 HydrophobicContact CZ3-CG 4.22Å; W152-M202 HydrophobicContact CZ3-SD 3.85Å
153	R	98.3	Very high	97.8	Very high	55 Å²	55	31.8 Å²	31.8	21%	0.208	16%	0.161	C	C	.	.			trans	-118.7	142.5	-179.6	-63.1	170	-176.8	139.2	-4.2	109.7	V155 R158 N159 K163 F194 Y227	R153-V155 VanDerWaalsContact C-N 3.27Å; R153-V155 PolarHBondContact O-N 3.49Å; R153-R158 HydrophobicContact CB-CB 4.05Å; R153-R158 WeakPolarHBondContact CD-O 3.34Å; R153-R158 PolarHBondContact NH1-O 2.83Å; R153-N159 PolarHBondContact N-OD1 3.33Å; R153-N159 PolarHBondContact O-ND2 3.46Å; R153-K163 HydrophobicContact CG-CD 4.31Å; R153-F194 WeakPolarHBondContact O-CE1 3.33Å; R153-Y227 WeakPolarHBondContact CD-OH 3.47Å
154	P	98.1	Very high	97.9	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.032	19%	0.185	C	C	.	.	S	Bend	trans	-69.2	-20.2	-171.5	25.3	-34.4	0	0	0	114.8	W152 M202 F223 L252 W254	W152-P154 HydrophobicContact CZ3-CB 4.46Å; P154-M202 HydrophobicContact CB-SD 3.75Å; P154-M202 HydrophobicContact CG-CE 4.32Å; P154-M202 HydrophobicContact CG-SD 3.67Å; P154-F223 HydrophobicContact CG-CE1 4.04Å; P154-F223 HydrophobicContact CG-CZ 4.21Å; P154-L252 HydrophobicContact CB-CD2 4.29Å; P154-L252 HydrophobicContact CG-CD2 3.86Å; P154-W254 HydrophobicContact CB-CH2 4.1Å; P154-W254 HydrophobicContact CB-CZ2 3.93Å; P154-W254 HydrophobicContact CG-CH2 4.5Å; P154-W254 HydrophobicContact CG-CZ2 4.38Å
155	V	98.3	Very high	97.8	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.036	20%	0.2	C	C	.	.	S	Bend	trans	-90.6	123	173.3	-179.1	0	0	0	0	108.9	R153 E157 R158 N159 R248 L252	R153-V155 VanDerWaalsContact C-N 3.27Å; R153-V155 PolarHBondContact O-N 3.49Å; V155-E157 VanDerWaalsContact C-N 3.3Å; V155-E157 PolarHBondContact O-N 2.69Å; V155-R158 HydrophobicContact CB-CB 4.49Å; V155-R158 HydrophobicContact CB-CG 4.2Å; V155-R158 HydrophobicContact CG1-CG 4.38Å; V155-R158 PolarHBondContact O-N 2.98Å; V155-R158 VanDerWaalsContact O-N 3.09Å; V155-N159 PolarHBondContact O-ND2 2.86Å; V155-R248 HydrophobicContact CG1-CG 4.29Å; V155-L252 HydrophobicContact CG2-CD1 4.1Å; V155-L252 HydrophobicContact CG2-CD2 4.01Å; V155-L252 HydrophobicContact CG2-CG 4.09Å
156	W	98.4	Very high	97.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-49.7	-49.4	-176.7	177.4	-106.4	0	0	0	111.8	R158 N159 K167 K171 E187 A190 R191 F194 E195	W156-R158 VanDerWaalsContact C-N 3.25Å; W156-R158 PolarHBondContact O-N 2.83Å; W156-N159 WeakPolarHBondContact O-CB 3.42Å; W156-N159 PolarHBondContact O-N 3.22Å; W156-N159 PolarHBondContact O-ND2 3.47Å; W156-K167 VanDerWaalsContact CD1-NZ 3.31Å; W156-K167 HydrophobicContact CD2-CD 4.15Å; W156-K167 HydrophobicContact CD2-CG 3.99Å; W156-K167 HydrophobicContact CE3-CG 4.11Å; W156-K167 HydrophobicContact CH2-CB 3.76Å; W156-K167 HydrophobicContact CH2-CG 3.93Å; W156-K167 HydrophobicContact CZ2-CB 3.81Å; W156-K167 HydrophobicContact CZ2-CD 3.87Å; W156-K167 HydrophobicContact CZ2-CG 3.76Å; W156-K167 HydrophobicContact CZ3-CB 4.25Å; W156-K167 HydrophobicContact CZ3-CG 4.09Å; W156-K167 WeakPolarHBondContact O-CE 3.43Å; W156-K171 HydrophobicContact CH2-CG 4.3Å; W156-E187 HydrophobicContact CZ2-CG 4.06Å; W156-E187 PolarHBondContact NE1-OE1 3.05Å; W156-A190 HydrophobicContact CH2-CB 3.89Å; W156-A190 HydrophobicContact CZ3-CB 4.47Å; W156-R191 HydrophobicContact CB-CB 4.49Å; W156-R191 HydrophobicContact CB-CG 3.76Å; W156-R191 HydrophobicContact CD2-CB 3.83Å; W156-R191 HydrophobicContact CD2-CG 4.08Å; W156-R191 HydrophobicContact CE3-CB 4.21Å; W156-R191 HydrophobicContact CG-CB 3.98Å; W156-R191 HydrophobicContact CG-CG 3.72Å; W156-R191 HydrophobicContact CZ2-CB 4.47Å; W156-F194 HydrophobicContact CE3-CB 3.95Å; W156-F194 AromaticContact CE3-CD1 3.86Å; W156-F194 HydrophobicContact CE3-CD1 3.86Å; W156-F194 AromaticContact CE3-CG 3.97Å; W156-F194 HydrophobicContact CE3-CG 3.97Å; W156-F194 HydrophobicContact CZ3-CB 3.93Å; W156-F194 HydrophobicContact CZ3-CD1 4.49Å; W156-F194 HydrophobicContact CZ3-CG 4.16Å; W156-E195 HydrophobicContact CB-CG 3.92Å; W156-E195 VanDerWaalsContact CB-OE1 3.24Å; W156-E195 WeakPolarHBondContact CB-OE1 3.12Å; W156-E195 PolarHBondContact N-OE1 3.43Å
157	E	97.7	Very high	97.8	Very high	59 Å²	59	41.2 Å²	41.2	28%	0.276	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-65.9	-24.6	-174.5	-51.4	-50.4	166.9	0	0	114.3	V155 N159 K167 R191 R248	V155-E157 VanDerWaalsContact C-N 3.3Å; V155-E157 PolarHBondContact O-N 2.69Å; E157-N159 PolarHBondContact O-N 2.85Å; E157-K167 IonicContact OE2-NZ 3.76Å; E157-K167 PolarHBondContact OE2-NZ 2.87Å; E157-R191 IonicContact OE1-CZ 2.68Å; E157-R191 IonicContact OE1-NH1 2.69Å; E157-R191 PolarHBondContact OE1-NH1 3.06Å; E157-R248 VanDerWaalsContact CB-NH2 3.33Å
158	R	97.5	Very high	97.8	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-75.2	-6.4	176.4	-65.6	176.6	167.3	169	-10.1	112.7	R153 V155 W156 W160 Y227 E245 N249	R153-R158 HydrophobicContact CB-CB 4.05Å; R153-R158 WeakPolarHBondContact CD-O 3.34Å; R153-R158 PolarHBondContact NH1-O 2.83Å; V155-R158 HydrophobicContact CB-CB 4.49Å; V155-R158 HydrophobicContact CB-CG 4.2Å; V155-R158 HydrophobicContact CG1-CG 4.38Å; V155-R158 PolarHBondContact O-N 2.98Å; V155-R158 VanDerWaalsContact O-N 3.09Å; W156-R158 VanDerWaalsContact C-N 3.25Å; W156-R158 PolarHBondContact O-N 2.83Å; R158-W160 VanDerWaalsContact C-N 3.3Å; R158-W160 HydrophobicContact CG-CH2 4.36Å; R158-W160 HydrophobicContact CG-CZ3 4.46Å; R158-W160 PolarHBondContact O-N 2.71Å; R158-W160 VanDerWaalsContact O-N 3.15Å; R158-Y227 HydrophobicContact CG-CE2 4.49Å; R158-E245 IonicContact CZ-OE2 3.43Å; R158-E245 IonicContact NE-OE2 3.58Å; R158-E245 PolarHBondContact NE-OE2 3.41Å; R158-E245 PolarHBondContact NH2-O 2.81Å; R158-E245 IonicContact NH2-OE2 2.76Å; R158-E245 PolarHBondContact NH2-OE2 2.86Å; R158-N249 VanDerWaalsContact CZ-OD1 3.28Å; R158-N249 PolarHBondContact NH1-OD1 3.4Å; R158-N249 PolarHBondContact NH2-OD1 3.34Å
159	N	98.3	Very high	97.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.011	22%	0.224	C	C	.	.			trans	-88.2	63.3	177	-63.7	-79.1	0	0	0	111.9	R153 V155 W156 E157 K163 K167	R153-N159 PolarHBondContact N-OD1 3.33Å; R153-N159 PolarHBondContact O-ND2 3.46Å; V155-N159 PolarHBondContact O-ND2 2.86Å; W156-N159 WeakPolarHBondContact O-CB 3.42Å; W156-N159 PolarHBondContact O-N 3.22Å; W156-N159 PolarHBondContact O-ND2 3.47Å; E157-N159 PolarHBondContact O-N 2.85Å; N159-K163 HydrophobicContact CB-CB 4Å; N159-K163 CarbonylContact O-C 3.33Å; N159-K167 HydrophobicContact CB-CG 4.32Å
160	W	96.4	Very high	97.8	Very high	91 Å²	91	43.6 Å²	43.6	35%	0.345	22%	0.222	S	C	.	.			trans	-98.2	179.6	174.1	52.2	60.7	0	0	0	112.3	R158 S162 K163 Y227	R158-W160 VanDerWaalsContact C-N 3.3Å; R158-W160 HydrophobicContact CG-CH2 4.36Å; R158-W160 HydrophobicContact CG-CZ3 4.46Å; R158-W160 PolarHBondContact O-N 2.71Å; R158-W160 VanDerWaalsContact O-N 3.15Å; W160-S162 PolarHBondContact O-N 2.71Å; W160-K163 WeakPolarHBondContact O-CA 3.47Å; W160-K163 VanDerWaalsContact O-CB 3.28Å; W160-K163 WeakPolarHBondContact O-CB 3.35Å; W160-K163 PolarHBondContact O-N 3.09Å; W160-Y227 HydrophobicContact CH2-CD1 4.04Å; W160-Y227 HydrophobicContact CH2-CE1 4.1Å; W160-Y227 AromaticContact CZ2-CD1 3.62Å; W160-Y227 HydrophobicContact CZ2-CD1 3.62Å; W160-Y227 AromaticContact CZ2-CE1 3.57Å; W160-Y227 HydrophobicContact CZ2-CE1 3.57Å
161	D	95.8	Very high	97.9	Very high	130 Å²	130	38.7 Å²	38.7	70%	0.695	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	51	-129.8	-177.8	-50.3	-35.9	0	0	0	112.3	K163 Q164	D161-K163 PolarHBondContact O-N 3.36Å; D161-Q164 WeakPolarHBondContact O-CB 3.33Å; D161-Q164 PolarHBondContact O-N 3.29Å
162	S	95.4	Very high	97.9	Very high	104 Å²	104	39.9 Å²	39.9	73%	0.727	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-58.4	-13.6	176	58.2	0	0	0	0	114.3	W160	W160-S162 PolarHBondContact O-N 2.71Å
163	K	97.7	Very high	97.9	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.126	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-89.5	-2.6	176	-51.5	-168.1	-177	-51	0	113.6	E150 S151 R153 N159 W160 D161 V165 Y166	E150-K163 VanDerWaalsContact O-CE 3.27Å; E150-K163 WeakPolarHBondContact O-CE 3.22Å; E150-K163 PolarHBondContact O-NZ 2.81Å; S151-K163 PolarHBondContact O-NZ 2.94Å; R153-K163 HydrophobicContact CG-CD 4.31Å; N159-K163 HydrophobicContact CB-CB 4Å; N159-K163 CarbonylContact O-C 3.33Å; W160-K163 WeakPolarHBondContact O-CA 3.47Å; W160-K163 VanDerWaalsContact O-CB 3.28Å; W160-K163 WeakPolarHBondContact O-CB 3.35Å; W160-K163 PolarHBondContact O-N 3.09Å; D161-K163 PolarHBondContact O-N 3.36Å; K163-V165 PolarHBondContact O-N 3.16Å; K163-V165 VanDerWaalsContact O-N 3.13Å; K163-Y166 HydrophobicContact CB-CD2 4.03Å; K163-Y166 HydrophobicContact CB-CE2 4.5Å; K163-Y166 WeakPolarHBondContact O-CD2 3.2Å; K163-Y166 PolarHBondContact O-N 2.92Å
164	Q	97.4	Very high	97.9	Very high	108 Å²	108	38.9 Å²	38.9	51%	0.505	21%	0.209	S	C	.	.	H	α-helix	trans	-59.9	-24.2	173.5	-174.7	169.8	-7.2	0	0	112.5	D161 Y166 K167 E168	D161-Q164 WeakPolarHBondContact O-CB 3.33Å; D161-Q164 PolarHBondContact O-N 3.29Å; Q164-Y166 PolarHBondContact O-N 3.32Å; Q164-K167 WeakPolarHBondContact O-CA 3.31Å; Q164-K167 WeakPolarHBondContact O-CB 3.46Å; Q164-K167 PolarHBondContact O-N 3.05Å; Q164-E168 HydrophobicContact CG-CG 4.41Å; Q164-E168 PolarHBondContact O-N 3.35Å
165	V	98.1	Very high	98	Very high	52 Å²	52	44 Å²	44	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-54.4	-33.6	172.3	68.9	0	0	0	0	113	Y104 K163 E168 G169	Y104-V165 HydrophobicContact CD1-CG2 4.15Å; Y104-V165 HydrophobicContact CD2-CB 4.39Å; Y104-V165 HydrophobicContact CD2-CG1 3.78Å; Y104-V165 HydrophobicContact CD2-CG2 3.77Å; Y104-V165 HydrophobicContact CE1-CG2 4.31Å; Y104-V165 HydrophobicContact CE2-CG1 4.43Å; Y104-V165 HydrophobicContact CE2-CG2 3.96Å; Y104-V165 HydrophobicContact CG-CG1 4.27Å; Y104-V165 HydrophobicContact CG-CG2 3.88Å; K163-V165 PolarHBondContact O-N 3.16Å; K163-V165 VanDerWaalsContact O-N 3.13Å; V165-E168 PolarHBondContact O-N 3.48Å; V165-G169 PolarHBondContact O-N 3.38Å
166	Y	98.7	Very high	98	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-71.1	-35.5	176.5	-62	-80.3	0	0	0	112	Y104 G114 V115 S151 W152 K163 Q164 S170	Y104-Y166 AromaticContact CD2-CD1 3.92Å; Y104-Y166 HydrophobicContact CD2-CD1 3.92Å; Y104-Y166 AromaticContact CD2-CE1 3.52Å; Y104-Y166 HydrophobicContact CD2-CE1 3.52Å; Y104-Y166 HydrophobicContact CD2-CE2 4.48Å; Y104-Y166 AromaticContact CD2-CZ 3.8Å; Y104-Y166 AromaticContact CE2-CD1 3.98Å; Y104-Y166 HydrophobicContact CE2-CD1 3.98Å; Y104-Y166 HydrophobicContact CE2-CE1 4Å; Y104-Y166 PolarHBondContact N-OH 3.26Å; G114-Y166 VanDerWaalsContact O-CE1 3.29Å; G114-Y166 WeakPolarHBondContact O-CE1 3.35Å; V115-Y166 HydrophobicContact CG1-CD1 4.17Å; S151-Y166 WeakPolarHBondContact O-CE2 3.27Å; W152-Y166 HydrophobicContact CB-CD1 3.76Å; W152-Y166 HydrophobicContact CB-CD2 3.86Å; W152-Y166 HydrophobicContact CB-CE1 3.94Å; W152-Y166 HydrophobicContact CB-CE2 4.06Å; W152-Y166 HydrophobicContact CB-CG 3.76Å; W152-Y166 AromaticContact CD1-CD1 3.93Å; W152-Y166 AromaticContact CD1-CE1 3.58Å; W152-Y166 HydrophobicContact CG-CD1 4.13Å; W152-Y166 HydrophobicContact CG-CE1 4.13Å; K163-Y166 HydrophobicContact CB-CD2 4.03Å; K163-Y166 HydrophobicContact CB-CE2 4.5Å; K163-Y166 WeakPolarHBondContact O-CD2 3.2Å; K163-Y166 PolarHBondContact O-N 2.92Å; Q164-Y166 PolarHBondContact O-N 3.32Å; Y166-S170 VanDerWaalsContact O-CB 3.28Å; Y166-S170 WeakPolarHBondContact O-CB 3.4Å; Y166-S170 PolarHBondContact O-N 3.08Å; Y166-S170 VanDerWaalsContact O-N 3.1Å; Y166-S170 PolarHBondContact O-OG 3.33Å
167	K	98.7	Very high	97.9	Very high	28 Å²	28	53.4 Å²	53.4	12%	0.122	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-44.2	172.2	-66.2	-162.5	172.6	-161.5	0	111.5	W156 E157 N159 Q164 K171	W156-K167 VanDerWaalsContact CD1-NZ 3.31Å; W156-K167 HydrophobicContact CD2-CD 4.15Å; W156-K167 HydrophobicContact CD2-CG 3.99Å; W156-K167 HydrophobicContact CE3-CG 4.11Å; W156-K167 HydrophobicContact CH2-CB 3.76Å; W156-K167 HydrophobicContact CH2-CG 3.93Å; W156-K167 HydrophobicContact CZ2-CB 3.81Å; W156-K167 HydrophobicContact CZ2-CD 3.87Å; W156-K167 HydrophobicContact CZ2-CG 3.76Å; W156-K167 HydrophobicContact CZ3-CB 4.25Å; W156-K167 HydrophobicContact CZ3-CG 4.09Å; W156-K167 WeakPolarHBondContact O-CE 3.43Å; E157-K167 IonicContact OE2-NZ 3.76Å; E157-K167 PolarHBondContact OE2-NZ 2.87Å; N159-K167 HydrophobicContact CB-CG 4.32Å; Q164-K167 WeakPolarHBondContact O-CA 3.31Å; Q164-K167 WeakPolarHBondContact O-CB 3.46Å; Q164-K167 PolarHBondContact O-N 3.05Å; K167-K171 WeakPolarHBondContact O-CE 3.2Å; K167-K171 WeakPolarHBondContact O-CG 3.45Å; K167-K171 PolarHBondContact O-N 3.49Å
168	E	98.3	Very high	97.9	Very high	65 Å²	65	54 Å²	54	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-72.4	-39.4	-179.7	-63.2	-48	137.8	0	0	113.2	Q164 V165 S170 K171 A172 R175	Q164-E168 HydrophobicContact CG-CG 4.41Å; Q164-E168 PolarHBondContact O-N 3.35Å; V165-E168 PolarHBondContact O-N 3.48Å; E168-S170 VanDerWaalsContact C-N 3.34Å; E168-S170 PolarHBondContact O-N 3.4Å; E168-K171 VanDerWaalsContact CD-CE 3.41Å; E168-K171 PolarHBondContact O-N 2.96Å; E168-K171 WeakPolarHBondContact OE1-CE 2.93Å; E168-K171 IonicContact OE1-NZ 3.56Å; E168-K171 PolarHBondContact OE1-NZ 2.97Å; E168-K171 WeakPolarHBondContact OE2-CE 3.32Å; E168-K171 IonicContact OE2-NZ 2.67Å; E168-A172 WeakPolarHBondContact O-CB 3.38Å; E168-A172 PolarHBondContact O-N 2.86Å; E168-R175 IonicContact OE2-NH1 3.32Å
169	G	98.4	Very high	97.9	Very high	12 Å²	12	58.7 Å²	58.7	12%	0.124	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-43.9	172.1	0	0	0	0	0	112.2	V165 A172 L173	V165-G169 PolarHBondContact O-N 3.38Å; G169-A172 PolarHBondContact O-N 3.37Å; G169-L173 WeakPolarHBondContact O-CG 3.43Å; G169-L173 PolarHBondContact O-N 3.38Å
170	S	98.8	Very high	97.9	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-46.6	173.7	-60.2	0	0	0	0	112.1	Q117 Y166 E168 A172 L173 V174	Q117-S170 PolarHBondContact NE2-OG 3.13Å; Y166-S170 VanDerWaalsContact O-CB 3.28Å; Y166-S170 WeakPolarHBondContact O-CB 3.4Å; Y166-S170 PolarHBondContact O-N 3.08Å; Y166-S170 VanDerWaalsContact O-N 3.1Å; Y166-S170 PolarHBondContact O-OG 3.33Å; E168-S170 VanDerWaalsContact C-N 3.34Å; E168-S170 PolarHBondContact O-N 3.4Å; S170-A172 PolarHBondContact O-N 3.04Å; S170-L173 PolarHBondContact O-N 3.33Å; S170-V174 PolarHBondContact O-N 3.45Å
171	K	98.8	Very high	98	Very high	18 Å²	18	66.5 Å²	66.5	8%	0.078	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-32.7	178	-72.6	-177.8	-66.3	-172.5	0	113	W156 K167 E168 V174 R175 V186 E187 A190	W156-K171 HydrophobicContact CH2-CG 4.3Å; K167-K171 WeakPolarHBondContact O-CE 3.2Å; K167-K171 WeakPolarHBondContact O-CG 3.45Å; K167-K171 PolarHBondContact O-N 3.49Å; E168-K171 VanDerWaalsContact CD-CE 3.41Å; E168-K171 PolarHBondContact O-N 2.96Å; E168-K171 WeakPolarHBondContact OE1-CE 2.93Å; E168-K171 IonicContact OE1-NZ 3.56Å; E168-K171 PolarHBondContact OE1-NZ 2.97Å; E168-K171 WeakPolarHBondContact OE2-CE 3.32Å; E168-K171 IonicContact OE2-NZ 2.67Å; K171-V174 PolarHBondContact O-N 2.9Å; K171-R175 WeakPolarHBondContact O-CB 3.44Å; K171-R175 WeakPolarHBondContact O-CD 3.46Å; K171-R175 VanDerWaalsContact O-CG 3.23Å; K171-R175 WeakPolarHBondContact O-CG 3.36Å; K171-R175 PolarHBondContact O-N 3.33Å; K171-V186 HydrophobicContact CB-CG1 3.89Å; K171-V186 HydrophobicContact CG-CG1 4.02Å; K171-E187 HydrophobicContact CD-CB 4Å; K171-E187 HydrophobicContact CD-CG 4.22Å; K171-E187 WeakPolarHBondContact CD-OE2 3.19Å; K171-E187 IonicContact NZ-OE2 3.51Å; K171-E187 PolarHBondContact NZ-OE2 3.04Å; K171-A190 HydrophobicContact CB-CB 4.33Å; K171-A190 HydrophobicContact CG-CB 3.56Å
172	A	98.5	Very high	98.1	Very high	51 Å²	51	64.1 Å²	64.1	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.8	0	0	0	0	0	112.1	E168 G169 S170 V174 R175 A176	E168-A172 WeakPolarHBondContact O-CB 3.38Å; E168-A172 PolarHBondContact O-N 2.86Å; G169-A172 PolarHBondContact O-N 3.37Å; S170-A172 PolarHBondContact O-N 3.04Å; A172-V174 PolarHBondContact O-N 3.28Å; A172-R175 PolarHBondContact O-N 3.1Å; A172-A176 WeakPolarHBondContact O-CB 3.31Å; A172-A176 PolarHBondContact O-N 3.04Å
173	L	98.6	Very high	98.3	Very high	38 Å²	38	64.2 Å²	64.2	20%	0.199	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-42	175.8	-66.4	165.1	0	0	0	112.1	V115 Q117 N118 G169 S170 A176 R177	V115-L173 HydrophobicContact CG2-CD1 3.45Å; V115-L173 VanDerWaalsContact CG2-CD1 3.45Å; Q117-L173 HydrophobicContact CG-CD1 4.19Å; N118-L173 HydrophobicContact CB-CD1 3.71Å; G169-L173 WeakPolarHBondContact O-CG 3.43Å; G169-L173 PolarHBondContact O-N 3.38Å; S170-L173 PolarHBondContact O-N 3.33Å; L173-A176 PolarHBondContact O-N 2.85Å; L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 3.33Å
174	V	98.8	Very high	98.3	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.012	36%	0.362	C	S	.	.	H	α-helix	trans	-67.1	-43.6	177.4	177.5	0	0	0	0	111.3	S170 K171 A172 A176 R177 H178 W181 V186 A189 A190	S170-V174 PolarHBondContact O-N 3.45Å; K171-V174 PolarHBondContact O-N 2.9Å; A172-V174 PolarHBondContact O-N 3.28Å; V174-A176 VanDerWaalsContact C-N 3.3Å; V174-A176 PolarHBondContact O-N 3.19Å; V174-R177 PolarHBondContact O-N 2.86Å; V174-R177 VanDerWaalsContact O-N 3.17Å; V174-H178 PolarHBondContact O-N 3.39Å; V174-W181 HydrophobicContact CG1-CE3 4.1Å; V174-W181 HydrophobicContact CG1-CZ3 4.17Å; V174-V186 HydrophobicContact CB-CG1 4.36Å; V174-V186 HydrophobicContact CG1-CB 4.38Å; V174-V186 HydrophobicContact CG1-CG1 4.31Å; V174-V186 HydrophobicContact CG1-CG2 4.35Å; V174-A189 HydrophobicContact CG1-CB 4.08Å; V174-A189 HydrophobicContact CG2-CB 4.42Å; V174-A190 HydrophobicContact CG2-CB 3.93Å
175	R	98.7	Very high	98.4	Very high	113 Å²	113	65.1 Å²	65.1	43%	0.426	36%	0.357	S	S	.	.	H	α-helix	trans	-58.3	-39.1	173.8	-71	164.6	-176.7	142.7	-1	112.5	E168 K171 A172 R177 H178 P179 V186	E168-R175 IonicContact OE2-NH1 3.32Å; K171-R175 WeakPolarHBondContact O-CB 3.44Å; K171-R175 WeakPolarHBondContact O-CD 3.46Å; K171-R175 VanDerWaalsContact O-CG 3.23Å; K171-R175 WeakPolarHBondContact O-CG 3.36Å; K171-R175 PolarHBondContact O-N 3.33Å; A172-R175 PolarHBondContact O-N 3.1Å; R175-R177 VanDerWaalsContact C-N 3.33Å; R175-R177 PolarHBondContact O-N 2.89Å; R175-H178 CarbonylContact O-C 3.49Å; R175-H178 VanDerWaalsContact O-C 3.29Å; R175-H178 PolarHBondContact O-N 3.37Å; R175-P179 WeakPolarHBondContact O-CA 3.49Å; R175-V186 HydrophobicContact CG-CG1 3.76Å; R175-V186 HydrophobicContact CG-CG2 4.02Å
176	A	98.3	Very high	98.4	Very high	84 Å²	84	62.8 Å²	62.8	69%	0.694	34%	0.343	S	S	*	.	H	α-helix	trans	-68.5	-29.9	178.3	0	0	0	0	0	113.2	A172 L173 V174	A172-A176 WeakPolarHBondContact O-CB 3.31Å; A172-A176 PolarHBondContact O-N 3.04Å; L173-A176 PolarHBondContact O-N 2.85Å; V174-A176 VanDerWaalsContact C-N 3.3Å; V174-A176 PolarHBondContact O-N 3.19Å
177	R	98.1	Very high	98.4	Very high	122 Å²	122	65.5 Å²	65.5	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-83.1	-30	174	-63.6	172.3	-166.7	159.9	3.8	112.8	L173 V174 R175 D193	L173-R177 WeakPolarHBondContact O-CG 3.37Å; L173-R177 PolarHBondContact O-N 3.33Å; V174-R177 PolarHBondContact O-N 2.86Å; V174-R177 VanDerWaalsContact O-N 3.17Å; R175-R177 VanDerWaalsContact C-N 3.33Å; R175-R177 PolarHBondContact O-N 2.89Å; R177-D193 IonicContact CZ-OD2 2.91Å; R177-D193 IonicContact NH1-OD2 3.71Å; R177-D193 PolarHBondContact NH1-OD2 3.03Å; R177-D193 IonicContact NH2-OD2 2.7Å
178	H	97.6	Very high	98.4	Very high	71 Å²	71	67 Å²	67	33%	0.329	37%	0.374	S	S	.	.			trans	-136.4	77	-174	-53	-60.5	0	0	0	111.5	V174 R175 D180 W181	V174-H178 PolarHBondContact O-N 3.39Å; R175-H178 CarbonylContact O-C 3.49Å; R175-H178 VanDerWaalsContact O-C 3.29Å; R175-H178 PolarHBondContact O-N 3.37Å; H178-D180 VanDerWaalsContact C-N 3.27Å; H178-D180 PolarHBondContact O-N 2.94Å; H178-W181 HydrophobicContact CB-CB 4.09Å; H178-W181 HydrophobicContact CB-CD2 3.53Å; H178-W181 HydrophobicContact CB-CE3 4.01Å; H178-W181 HydrophobicContact CB-CG 3.56Å; H178-W181 HydrophobicContact CB-CZ2 4.5Å; H178-W181 AromaticContact CD2-CE3 3.95Å; H178-W181 AromaticContact CD2-CH2 3.77Å; H178-W181 AromaticContact CD2-CZ2 3.96Å; H178-W181 AromaticContact CD2-CZ3 3.76Å; H178-W181 AromaticContact CG-CD2 3.82Å; H178-W181 AromaticContact CG-CE2 3.71Å; H178-W181 AromaticContact CG-CZ2 3.91Å; H178-W181 AromaticContact NE2-CH2 3.98Å; H178-W181 PolarHBondContact O-N 3.28Å
179	P	97.3	Very high	98.4	Very high	102 Å²	102	65.1 Å²	65.1	66%	0.662	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-31.6	-176.3	-24.9	36.2	0	0	0	114.1	R175 W181	R175-P179 WeakPolarHBondContact O-CA 3.49Å; P179-W181 VanDerWaalsContact C-N 3.34Å
180	D	97.9	Very high	98.4	Very high	157 Å²	157	64.6 Å²	64.6	84%	0.84	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.1	-175.7	-47.3	-68.2	0	0	0	114	H178	H178-D180 VanDerWaalsContact C-N 3.27Å; H178-D180 PolarHBondContact O-N 2.94Å
181	W	98.4	Very high	98.4	Very high	99 Å²	99	68.3 Å²	68.3	38%	0.375	38%	0.378	S	S	.	.			trans	-78.7	140.3	-178.4	-81.2	17.4	0	0	0	112.5	V174 H178 P179 Q185 V186 A189	V174-W181 HydrophobicContact CG1-CE3 4.1Å; V174-W181 HydrophobicContact CG1-CZ3 4.17Å; H178-W181 HydrophobicContact CB-CB 4.09Å; H178-W181 HydrophobicContact CB-CD2 3.53Å; H178-W181 HydrophobicContact CB-CE3 4.01Å; H178-W181 HydrophobicContact CB-CG 3.56Å; H178-W181 HydrophobicContact CB-CZ2 4.5Å; H178-W181 AromaticContact CD2-CE3 3.95Å; H178-W181 AromaticContact CD2-CH2 3.77Å; H178-W181 AromaticContact CD2-CZ2 3.96Å; H178-W181 AromaticContact CD2-CZ3 3.76Å; H178-W181 AromaticContact CG-CD2 3.82Å; H178-W181 AromaticContact CG-CE2 3.71Å; H178-W181 AromaticContact CG-CZ2 3.91Å; H178-W181 AromaticContact NE2-CH2 3.98Å; H178-W181 PolarHBondContact O-N 3.28Å; P179-W181 VanDerWaalsContact C-N 3.34Å; W181-Q185 HydrophobicContact CB-CB 4.13Å; W181-Q185 HydrophobicContact CD2-CB 4.08Å; W181-Q185 HydrophobicContact CE3-CB 3.86Å; W181-Q185 HydrophobicContact CG-CB 4.23Å; W181-V186 HydrophobicContact CB-CG2 3.9Å; W181-A189 HydrophobicContact CZ3-CB 3.75Å
182	N	98.4	Very high	98.4	Very high	81 Å²	81	70.8 Å²	70.8	43%	0.433	39%	0.394	S	S	.	.			trans	-71.7	160.4	176.4	79.6	50.6	0	0	0	111.7	A184 Q185 V186	N182-A184 PolarHBondContact O-N 3.42Å; N182-A184 VanDerWaalsContact O-N 3.12Å; N182-A184 WeakPolarHBondContact OD1-CB 3.34Å; N182-A184 PolarHBondContact OD1-N 3.36Å; N182-Q185 VanDerWaalsContact CG-OE1 3.27Å; N182-Q185 PolarHBondContact ND2-OE1 3.16Å; N182-Q185 PolarHBondContact O-N 3.02Å; N182-Q185 VanDerWaalsContact O-N 3.11Å; N182-Q185 PolarHBondContact OD1-N 3.07Å; N182-Q185 VanDerWaalsContact OD1-N 3.08Å; N182-V186 WeakPolarHBondContact O-CG2 3.41Å; N182-V186 PolarHBondContact O-N 2.81Å
183	P	98.4	Very high	98.4	Very high	105 Å²	105	70.5 Å²	70.5	68%	0.682	39%	0.386	S	S	*	.	H	α-helix	trans	-56.8	-31.5	-174.9	-28.5	36.5	0	0	0	115.3	E187	P183-E187 WeakPolarHBondContact O-CB 3.35Å; P183-E187 PolarHBondContact O-N 3.22Å
184	A	98.4	Very high	98.5	Very high	70 Å²	70	68.8 Å²	68.8	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-75.6	-37.7	179.2	0	0	0	0	0	112.2	N182 V186 E187 A188	N182-A184 PolarHBondContact O-N 3.42Å; N182-A184 VanDerWaalsContact O-N 3.12Å; N182-A184 WeakPolarHBondContact OD1-CB 3.34Å; N182-A184 PolarHBondContact OD1-N 3.36Å; A184-V186 VanDerWaalsContact C-N 3.34Å; A184-E187 PolarHBondContact O-N 3.2Å; A184-A188 VanDerWaalsContact O-CB 3.3Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.06Å
185	Q	98.6	Very high	98.5	Very high	87 Å²	87	70.8 Å²	70.8	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-43.9	171.1	-66.5	171.6	-64.4	0	0	110.9	W181 N182 A189	W181-Q185 HydrophobicContact CB-CB 4.13Å; W181-Q185 HydrophobicContact CD2-CB 4.08Å; W181-Q185 HydrophobicContact CE3-CB 3.86Å; W181-Q185 HydrophobicContact CG-CB 4.23Å; N182-Q185 VanDerWaalsContact CG-OE1 3.27Å; N182-Q185 PolarHBondContact ND2-OE1 3.16Å; N182-Q185 PolarHBondContact O-N 3.02Å; N182-Q185 VanDerWaalsContact O-N 3.11Å; N182-Q185 PolarHBondContact OD1-N 3.07Å; N182-Q185 VanDerWaalsContact OD1-N 3.08Å; Q185-A189 PolarHBondContact O-N 3.34Å; Q185-A189 VanDerWaalsContact O-N 3.11Å
186	V	98.8	Very high	98.5	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-48.6	176.3	167.5	0	0	0	0	111.5	K171 V174 R175 W181 N182 A184 A190	K171-V186 HydrophobicContact CB-CG1 3.89Å; K171-V186 HydrophobicContact CG-CG1 4.02Å; V174-V186 HydrophobicContact CB-CG1 4.36Å; V174-V186 HydrophobicContact CG1-CB 4.38Å; V174-V186 HydrophobicContact CG1-CG1 4.31Å; V174-V186 HydrophobicContact CG1-CG2 4.35Å; R175-V186 HydrophobicContact CG-CG1 3.76Å; R175-V186 HydrophobicContact CG-CG2 4.02Å; W181-V186 HydrophobicContact CB-CG2 3.9Å; N182-V186 WeakPolarHBondContact O-CG2 3.41Å; N182-V186 PolarHBondContact O-N 2.81Å; A184-V186 VanDerWaalsContact C-N 3.34Å; V186-A190 WeakPolarHBondContact O-CB 3.12Å; V186-A190 PolarHBondContact O-N 3.5Å
187	E	98.7	Very high	98.5	Very high	68 Å²	68	67.9 Å²	67.9	32%	0.318	37%	0.365	S	S	.	.	H	α-helix	trans	-69.1	-41.4	-179.2	-178	135.9	178.6	0	0	112.4	W156 K171 P183 A184 A189 A190 R191	W156-E187 HydrophobicContact CZ2-CG 4.06Å; W156-E187 PolarHBondContact NE1-OE1 3.05Å; K171-E187 HydrophobicContact CD-CB 4Å; K171-E187 HydrophobicContact CD-CG 4.22Å; K171-E187 WeakPolarHBondContact CD-OE2 3.19Å; K171-E187 IonicContact NZ-OE2 3.51Å; K171-E187 PolarHBondContact NZ-OE2 3.04Å; P183-E187 WeakPolarHBondContact O-CB 3.35Å; P183-E187 PolarHBondContact O-N 3.22Å; A184-E187 PolarHBondContact O-N 3.2Å; E187-A189 PolarHBondContact O-N 2.85Å; E187-A190 PolarHBondContact O-N 3.46Å; E187-R191 WeakPolarHBondContact O-CB 3.43Å; E187-R191 PolarHBondContact O-N 2.89Å
188	A	98.7	Very high	98.5	Very high	61 Å²	61	62 Å²	62	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-46.3	177.5	0	0	0	0	0	112.2	A184 V192	A184-A188 VanDerWaalsContact O-CB 3.3Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.06Å; A188-V192 WeakPolarHBondContact O-CG2 3.49Å; A188-V192 PolarHBondContact O-N 3.01Å
189	A	98.8	Very high	98.6	Very high	25 Å²	25	63.5 Å²	63.5	21%	0.207	35%	0.346	C	S	.	.	H	α-helix	trans	-70.6	-39.6	176.7	0	0	0	0	0	112.6	V174 W181 Q185 E187 R191 V192 D193	V174-A189 HydrophobicContact CG1-CB 4.08Å; V174-A189 HydrophobicContact CG2-CB 4.42Å; W181-A189 HydrophobicContact CZ3-CB 3.75Å; Q185-A189 PolarHBondContact O-N 3.34Å; Q185-A189 VanDerWaalsContact O-N 3.11Å; E187-A189 PolarHBondContact O-N 2.85Å; A189-R191 VanDerWaalsContact C-N 3.28Å; A189-R191 PolarHBondContact O-N 3.46Å; A189-V192 PolarHBondContact O-N 3.09Å; A189-D193 WeakPolarHBondContact O-CB 3.42Å; A189-D193 PolarHBondContact O-N 2.92Å
190	A	98.9	Very high	98.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-37.2	177.8	0	0	0	0	0	112.4	W156 K171 V174 V186 E187 F194	W156-A190 HydrophobicContact CH2-CB 3.89Å; W156-A190 HydrophobicContact CZ3-CB 4.47Å; K171-A190 HydrophobicContact CB-CB 4.33Å; K171-A190 HydrophobicContact CG-CB 3.56Å; V174-A190 HydrophobicContact CG2-CB 3.93Å; V186-A190 WeakPolarHBondContact O-CB 3.12Å; V186-A190 PolarHBondContact O-N 3.5Å; E187-A190 PolarHBondContact O-N 3.46Å; A190-F194 WeakPolarHBondContact O-CB 3.44Å; A190-F194 PolarHBondContact O-N 2.92Å; A190-F194 VanDerWaalsContact O-N 3.1Å
191	R	98.8	Very high	98.7	Very high	78 Å²	78	56.6 Å²	56.6	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-62.2	-50.8	171.6	172.7	167	179.3	176.2	-8.2	111.6	W156 E157 E187 A189 F194 E195	W156-R191 HydrophobicContact CB-CB 4.49Å; W156-R191 HydrophobicContact CB-CG 3.76Å; W156-R191 HydrophobicContact CD2-CB 3.83Å; W156-R191 HydrophobicContact CD2-CG 4.08Å; W156-R191 HydrophobicContact CE3-CB 4.21Å; W156-R191 HydrophobicContact CG-CB 3.98Å; W156-R191 HydrophobicContact CG-CG 3.72Å; W156-R191 HydrophobicContact CZ2-CB 4.47Å; E157-R191 IonicContact OE1-CZ 2.68Å; E157-R191 IonicContact OE1-NH1 2.69Å; E157-R191 PolarHBondContact OE1-NH1 3.06Å; E187-R191 WeakPolarHBondContact O-CB 3.43Å; E187-R191 PolarHBondContact O-N 2.89Å; A189-R191 VanDerWaalsContact C-N 3.28Å; A189-R191 PolarHBondContact O-N 3.46Å; R191-F194 PolarHBondContact O-N 3.32Å; R191-E195 HydrophobicContact CG-CG 4.25Å; R191-E195 VanDerWaalsContact CG-OE2 3.27Å; R191-E195 WeakPolarHBondContact CG-OE2 3.39Å; R191-E195 IonicContact CZ-OE1 3.4Å; R191-E195 IonicContact CZ-OE2 3.7Å; R191-E195 IonicContact NE-OE1 3.78Å; R191-E195 PolarHBondContact NE-OE1 3.38Å; R191-E195 IonicContact NE-OE2 2.71Å; R191-E195 PolarHBondContact NE-OE2 3.06Å; R191-E195 IonicContact NH2-OE1 3.71Å; R191-E195 PolarHBondContact NH2-OE1 3.16Å; R191-E195 IonicContact NH2-OE2 3.23Å; R191-E195 PolarHBondContact NH2-OE2 2.94Å; R191-E195 WeakPolarHBondContact O-CB 3.41Å; R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 3.28Å
192	V	98.7	Very high	98.7	Very high	70 Å²	70	52.2 Å²	52.2	42%	0.424	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-47.5	-178.9	172.3	0	0	0	0	111.8	A188 A189 F194 Q196	A188-V192 WeakPolarHBondContact O-CG2 3.49Å; A188-V192 PolarHBondContact O-N 3.01Å; A189-V192 PolarHBondContact O-N 3.09Å; V192-F194 VanDerWaalsContact C-N 3.31Å; V192-F194 PolarHBondContact O-N 3.18Å; V192-Q196 HydrophobicContact CG1-CG 4.38Å; V192-Q196 WeakPolarHBondContact O-CB 3.48Å; V192-Q196 VanDerWaalsContact O-CG 3.29Å; V192-Q196 WeakPolarHBondContact O-CG 3.45Å; V192-Q196 PolarHBondContact O-N 3.28Å; V192-Q196 VanDerWaalsContact O-N 3.08Å
193	D	98.7	Very high	98.7	Very high	46 Å²	46	49.6 Å²	49.6	25%	0.246	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-46.8	175.7	-96.4	27.8	0	0	0	111.2	Q117 R177 A189 S197	Q117-D193 HydrophobicContact CB-CB 4.1Å; Q117-D193 HydrophobicContact CG-CB 3.96Å; R177-D193 IonicContact CZ-OD2 2.91Å; R177-D193 IonicContact NH1-OD2 3.71Å; R177-D193 PolarHBondContact NH1-OD2 3.03Å; R177-D193 IonicContact NH2-OD2 2.7Å; A189-D193 WeakPolarHBondContact O-CB 3.42Å; A189-D193 PolarHBondContact O-N 2.92Å; D193-S197 WeakPolarHBondContact O-CB 3.11Å; D193-S197 PolarHBondContact O-N 3.36Å; D193-S197 VanDerWaalsContact O-N 3.13Å; D193-S197 PolarHBondContact O-OG 3.26Å
194	F	98.9	Very high	98.7	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-52.6	-177.6	178.1	-91.3	0	0	0	112.4	P116 W152 R153 W156 A190 R191 V192 Q196 S197 G198	P116-F194 HydrophobicContact CG-CE2 4.34Å; W152-F194 HydrophobicContact CB-CZ 4.2Å; W152-F194 HydrophobicContact CD2-CZ 4.4Å; W152-F194 HydrophobicContact CE3-CZ 4.11Å; W152-F194 HydrophobicContact CG-CZ 4.45Å; R153-F194 WeakPolarHBondContact O-CE1 3.33Å; W156-F194 HydrophobicContact CE3-CB 3.95Å; W156-F194 AromaticContact CE3-CD1 3.86Å; W156-F194 HydrophobicContact CE3-CD1 3.86Å; W156-F194 AromaticContact CE3-CG 3.97Å; W156-F194 HydrophobicContact CE3-CG 3.97Å; W156-F194 HydrophobicContact CZ3-CB 3.93Å; W156-F194 HydrophobicContact CZ3-CD1 4.49Å; W156-F194 HydrophobicContact CZ3-CG 4.16Å; A190-F194 WeakPolarHBondContact O-CB 3.44Å; A190-F194 PolarHBondContact O-N 2.92Å; A190-F194 VanDerWaalsContact O-N 3.1Å; R191-F194 PolarHBondContact O-N 3.32Å; V192-F194 VanDerWaalsContact C-N 3.31Å; V192-F194 PolarHBondContact O-N 3.18Å; F194-Q196 PolarHBondContact O-N 2.8Å; F194-S197 PolarHBondContact O-N 2.86Å; F194-G198 PolarHBondContact O-N 3.33Å
195	E	98.8	Very high	98.8	Very high	44 Å²	44	44.5 Å²	44.5	21%	0.206	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-40.2	-176	-67	-174.6	137.3	0	0	111.1	W156 R191 R199	W156-E195 HydrophobicContact CB-CG 3.92Å; W156-E195 VanDerWaalsContact CB-OE1 3.24Å; W156-E195 WeakPolarHBondContact CB-OE1 3.12Å; W156-E195 PolarHBondContact N-OE1 3.43Å; R191-E195 HydrophobicContact CG-CG 4.25Å; R191-E195 VanDerWaalsContact CG-OE2 3.27Å; R191-E195 WeakPolarHBondContact CG-OE2 3.39Å; R191-E195 IonicContact CZ-OE1 3.4Å; R191-E195 IonicContact CZ-OE2 3.7Å; R191-E195 IonicContact NE-OE1 3.78Å; R191-E195 PolarHBondContact NE-OE1 3.38Å; R191-E195 IonicContact NE-OE2 2.71Å; R191-E195 PolarHBondContact NE-OE2 3.06Å; R191-E195 IonicContact NH2-OE1 3.71Å; R191-E195 PolarHBondContact NH2-OE1 3.16Å; R191-E195 IonicContact NH2-OE2 3.23Å; R191-E195 PolarHBondContact NH2-OE2 2.94Å; R191-E195 WeakPolarHBondContact O-CB 3.41Å; R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 3.28Å; E195-R199 WeakPolarHBondContact O-CB 3.47Å; E195-R199 PolarHBondContact O-N 2.82Å
196	Q	98.7	Very high	98.7	Very high	111 Å²	111	40.3 Å²	40.3	52%	0.519	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-40.2	174.8	-70.6	-172.8	15.9	0	0	112.9	V192 F194 K200	V192-Q196 HydrophobicContact CG1-CG 4.38Å; V192-Q196 WeakPolarHBondContact O-CB 3.48Å; V192-Q196 VanDerWaalsContact O-CG 3.29Å; V192-Q196 WeakPolarHBondContact O-CG 3.45Å; V192-Q196 PolarHBondContact O-N 3.28Å; V192-Q196 VanDerWaalsContact O-N 3.08Å; F194-Q196 PolarHBondContact O-N 2.8Å; Q196-K200 WeakPolarHBondContact O-CG 3.34Å; Q196-K200 PolarHBondContact O-N 2.68Å; Q196-K200 VanDerWaalsContact O-N 3.16Å
197	S	98.8	Very high	98.7	Very high	25 Å²	25	44.1 Å²	44.1	18%	0.175	22%	0.219	C	C	.	.	H	α-helix	trans	-79.3	-40.4	-176.3	-56.1	0	0	0	0	111.8	Q117 D193 F194 R199 K200 F201	Q117-S197 WeakPolarHBondContact CA-OG 3.01Å; Q117-S197 WeakPolarHBondContact CB-OG 3.35Å; D193-S197 WeakPolarHBondContact O-CB 3.11Å; D193-S197 PolarHBondContact O-N 3.36Å; D193-S197 VanDerWaalsContact O-N 3.13Å; D193-S197 PolarHBondContact O-OG 3.26Å; F194-S197 PolarHBondContact O-N 2.86Å; S197-R199 VanDerWaalsContact C-N 3.32Å; S197-R199 PolarHBondContact O-N 3.32Å; S197-K200 PolarHBondContact O-N 2.87Å; S197-F201 WeakPolarHBondContact O-CD2 3.4Å; S197-F201 PolarHBondContact O-N 2.98Å
198	G	98.8	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-41.8	173.1	0	0	0	0	0	111.7	F194 F201 M202	F194-G198 PolarHBondContact O-N 3.33Å; G198-F201 PolarHBondContact O-N 3.47Å; G198-M202 PolarHBondContact O-N 3.07Å
199	R	98.8	Very high	98.7	Very high	102 Å²	102	39.4 Å²	39.4	39%	0.385	19%	0.188	S	C	.	.	H	α-helix	trans	-54.9	-55.2	169.3	170	167.9	175.3	175.3	0.3	112	E195 S197 F201 M202 E203 W254	E195-R199 WeakPolarHBondContact O-CB 3.47Å; E195-R199 PolarHBondContact O-N 2.82Å; S197-R199 VanDerWaalsContact C-N 3.32Å; S197-R199 PolarHBondContact O-N 3.32Å; R199-F201 VanDerWaalsContact C-N 3.32Å; R199-F201 PolarHBondContact O-N 3.1Å; R199-M202 PolarHBondContact O-N 3.17Å; R199-E203 IonicContact CZ-OE2 3.23Å; R199-E203 IonicContact NE-OE2 3.51Å; R199-E203 PolarHBondContact NE-OE2 3.24Å; R199-E203 IonicContact NH2-OE1 3.7Å; R199-E203 IonicContact NH2-OE2 2.77Å; R199-E203 PolarHBondContact NH2-OE2 2.88Å; R199-E203 VanDerWaalsContact O-CB 3.23Å; R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 PolarHBondContact O-N 3.17Å; R199-W254 HydrophobicContact CB-CD2 4.44Å; R199-W254 HydrophobicContact CB-CH2 4.02Å; R199-W254 HydrophobicContact CB-CZ2 3.9Å; R199-W254 HydrophobicContact CB-CZ3 4.31Å; R199-W254 HydrophobicContact CG-CD2 3.66Å; R199-W254 HydrophobicContact CG-CE3 3.7Å; R199-W254 HydrophobicContact CG-CG 4.29Å; R199-W254 HydrophobicContact CG-CH2 4.1Å; R199-W254 HydrophobicContact CG-CZ2 4.03Å; R199-W254 HydrophobicContact CG-CZ3 3.92Å
200	K	98.7	Very high	98.7	Very high	110 Å²	110	41 Å²	41	48%	0.478	19%	0.19	S	C	.	.	H	α-helix	trans	-57	-42.9	-179.4	-74.1	172.4	-177.6	174.1	0	112.7	L121 Q196 S197 E204	L121-K200 HydrophobicContact CD2-CB 4.05Å; Q196-K200 WeakPolarHBondContact O-CG 3.34Å; Q196-K200 PolarHBondContact O-N 2.68Å; Q196-K200 VanDerWaalsContact O-N 3.16Å; S197-K200 PolarHBondContact O-N 2.87Å; K200-E204 WeakPolarHBondContact O-CB 3.15Å; K200-E204 WeakPolarHBondContact O-CG 3.09Å; K200-E204 PolarHBondContact O-N 3.38Å; K200-E204 VanDerWaalsContact O-N 3.07Å
201	F	98.8	Very high	98.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176.6	-94.9	-97.7	0	0	0	112.3	P102 P116 L121 H124 W152 S197 G198 R199 T205	P102-F201 HydrophobicContact CG-CD1 4.25Å; P102-F201 HydrophobicContact CG-CE1 4.14Å; P102-F201 HydrophobicContact CG-CZ 4.49Å; P116-F201 HydrophobicContact CB-CD2 4Å; P116-F201 HydrophobicContact CB-CE2 4.46Å; P116-F201 WeakPolarHBondContact O-CE2 3.26Å; L121-F201 HydrophobicContact CB-CE2 4.13Å; L121-F201 HydrophobicContact CB-CZ 4.34Å; L121-F201 HydrophobicContact CD1-CD1 4.21Å; L121-F201 HydrophobicContact CD1-CD2 3.93Å; L121-F201 HydrophobicContact CD1-CE1 4.39Å; L121-F201 HydrophobicContact CD1-CE2 4.1Å; L121-F201 HydrophobicContact CD1-CG 3.99Å; L121-F201 HydrophobicContact CD1-CZ 4.32Å; H124-F201 HydrophobicContact CB-CD1 4.38Å; H124-F201 HydrophobicContact CB-CE1 3.61Å; H124-F201 HydrophobicContact CB-CZ 4.25Å; H124-F201 AromaticContact CG-CD1 3.88Å; H124-F201 AromaticContact CG-CE1 3.55Å; H124-F201 AromaticContact ND1-CD1 3.91Å; H124-F201 AromaticContact ND1-CE1 3.68Å; W152-F201 HydrophobicContact CH2-CB 4.37Å; S197-F201 WeakPolarHBondContact O-CD2 3.4Å; S197-F201 PolarHBondContact O-N 2.98Å; G198-F201 PolarHBondContact O-N 3.47Å; R199-F201 VanDerWaalsContact C-N 3.32Å; R199-F201 PolarHBondContact O-N 3.1Å; F201-T205 VanDerWaalsContact O-CB 3.26Å; F201-T205 WeakPolarHBondContact O-CB 3.26Å; F201-T205 PolarHBondContact O-N 2.83Å; F201-T205 PolarHBondContact O-OG1 3.12Å
202	M	98.9	Very high	98.6	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-73.7	-42.2	179.9	-67.8	179.3	79.8	0	0	112.9	W149 W152 P154 G198 R199 Q206 F220 F223 W254 L255	W149-M202 HydrophobicContact CE3-CG 4.45Å; W149-M202 HydrophobicContact CZ3-CG 4.46Å; W152-M202 HydrophobicContact CH2-CG 3.89Å; W152-M202 HydrophobicContact CH2-SD 4.15Å; W152-M202 HydrophobicContact CZ3-CG 4.22Å; W152-M202 HydrophobicContact CZ3-SD 3.85Å; P154-M202 HydrophobicContact CB-SD 3.75Å; P154-M202 HydrophobicContact CG-CE 4.32Å; P154-M202 HydrophobicContact CG-SD 3.67Å; G198-M202 PolarHBondContact O-N 3.07Å; R199-M202 PolarHBondContact O-N 3.17Å; M202-Q206 PolarHBondContact O-N 3.13Å; M202-F220 HydrophobicContact CB-CE2 3.72Å; M202-F220 HydrophobicContact CB-CZ 3.74Å; M202-F220 HydrophobicContact CE-CB 4.38Å; M202-F220 HydrophobicContact CE-CD1 3.79Å; M202-F220 HydrophobicContact CE-CD2 3.64Å; M202-F220 HydrophobicContact CE-CE1 3.9Å; M202-F220 HydrophobicContact CE-CE2 3.71Å; M202-F220 HydrophobicContact CE-CG 3.67Å; M202-F220 HydrophobicContact CE-CZ 3.87Å; M202-F220 HydrophobicContact CG-CE1 4.27Å; M202-F220 HydrophobicContact CG-CE2 4.09Å; M202-F220 HydrophobicContact CG-CZ 3.75Å; M202-F223 HydrophobicContact CE-CE2 4.08Å; M202-F223 HydrophobicContact CE-CZ 4.03Å; M202-W254 HydrophobicContact CB-CH2 3.99Å; M202-W254 HydrophobicContact CB-CZ3 3.92Å; M202-W254 HydrophobicContact SD-CH2 4.27Å; M202-L255 HydrophobicContact CB-CD1 4.12Å; M202-L255 HydrophobicContact CE-CD1 3.9Å; M202-L255 HydrophobicContact CE-CD2 4.15Å
203	E	98.8	Very high	98.6	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-69.3	-48	-175	-161.9	-176.1	147.2	0	0	112	R199 T205 Q206 K207 W254 A258	R199-E203 IonicContact CZ-OE2 3.23Å; R199-E203 IonicContact NE-OE2 3.51Å; R199-E203 PolarHBondContact NE-OE2 3.24Å; R199-E203 IonicContact NH2-OE1 3.7Å; R199-E203 IonicContact NH2-OE2 2.77Å; R199-E203 PolarHBondContact NH2-OE2 2.88Å; R199-E203 VanDerWaalsContact O-CB 3.23Å; R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 PolarHBondContact O-N 3.17Å; E203-T205 VanDerWaalsContact C-N 3.35Å; E203-T205 PolarHBondContact O-N 3.41Å; E203-Q206 PolarHBondContact O-N 2.85Å; E203-K207 WeakPolarHBondContact O-CG 3.29Å; E203-K207 PolarHBondContact O-N 2.98Å; E203-K207 VanDerWaalsContact O-N 3.11Å; E203-K207 WeakPolarHBondContact OE1-CE 3.49Å; E203-K207 IonicContact OE1-NZ 3.22Å; E203-K207 PolarHBondContact OE1-NZ 2.79Å; E203-W254 HydrophobicContact CB-CE3 3.9Å; E203-W254 HydrophobicContact CB-CZ3 4.01Å; E203-W254 HydrophobicContact CG-CE3 4.12Å; E203-A258 HydrophobicContact CG-CB 3.84Å
204	E	98.8	Very high	98.4	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-73.5	-26.6	-178.8	-60.1	-51.7	127.2	0	0	112.8	L121 L125 K200 K207 L208	L121-E204 HydrophobicContact CD2-CG 4.49Å; L125-E204 HydrophobicContact CD1-CB 3.96Å; L125-E204 HydrophobicContact CD2-CB 4.11Å; K200-E204 WeakPolarHBondContact O-CB 3.15Å; K200-E204 WeakPolarHBondContact O-CG 3.09Å; K200-E204 PolarHBondContact O-N 3.38Å; K200-E204 VanDerWaalsContact O-N 3.07Å; E204-K207 PolarHBondContact O-N 3.29Å; E204-K207 WeakPolarHBondContact OE1-CD 3.36Å; E204-K207 IonicContact OE1-NZ 3.02Å; E204-K207 PolarHBondContact OE1-NZ 2.93Å; E204-K207 WeakPolarHBondContact OE2-CD 3.4Å; E204-K207 IonicContact OE2-NZ 3.89Å; E204-L208 VanDerWaalsContact O-CB 3.31Å; E204-L208 WeakPolarHBondContact O-CB 3.48Å; E204-L208 PolarHBondContact O-N 2.81Å
205	T	98.8	Very high	98.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-43.7	174.7	-58.3	0	0	0	0	111.5	L98 H124 W149 F201 E203 L208 G209	L98-T205 HydrophobicContact CD2-CG2 3.67Å; L98-T205 HydrophobicContact CG-CG2 4.16Å; H124-T205 PolarHBondContact NE2-OG1 2.99Å; H124-T205 VanDerWaalsContact NE2-OG1 3.17Å; W149-T205 HydrophobicContact CH2-CG2 3.87Å; W149-T205 HydrophobicContact CZ2-CG2 4.18Å; F201-T205 VanDerWaalsContact O-CB 3.26Å; F201-T205 WeakPolarHBondContact O-CB 3.26Å; F201-T205 PolarHBondContact O-N 2.83Å; F201-T205 PolarHBondContact O-OG1 3.12Å; E203-T205 VanDerWaalsContact C-N 3.35Å; E203-T205 PolarHBondContact O-N 3.41Å; T205-L208 PolarHBondContact O-N 2.83Å; T205-G209 PolarHBondContact O-N 3.09Å
206	Q	97.9	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-40.7	174	-66.4	-172.5	109.6	0	0	112	M202 E203 L208 G209 Q210 F220 L255 A258 S259	M202-Q206 PolarHBondContact O-N 3.13Å; E203-Q206 PolarHBondContact O-N 2.85Å; Q206-L208 VanDerWaalsContact C-N 3.29Å; Q206-L208 PolarHBondContact O-N 3.27Å; Q206-G209 PolarHBondContact O-N 3.03Å; Q206-Q210 WeakPolarHBondContact O-CG 3.16Å; Q206-Q210 PolarHBondContact O-N 3Å; Q206-F220 HydrophobicContact CG-CD2 4.08Å; Q206-F220 HydrophobicContact CG-CE2 3.56Å; Q206-F220 HydrophobicContact CG-CZ 4.38Å; Q206-L255 PolarHBondContact NE2-O 2.83Å; Q206-A258 WeakPolarHBondContact CB-O 3.48Å; Q206-A258 PolarHBondContact NE2-O 2.87Å; Q206-S259 PolarHBondContact NE2-OG 3.45Å; Q206-S259 PolarHBondContact OE1-OG 2.8Å
207	K	98.6	Very high	98.1	Very high	82 Å²	82	42.5 Å²	42.5	36%	0.357	21%	0.207	S	C	.	.	H	α-helix	trans	-59.5	-39.8	174.3	-73	169.2	-176.2	167.2	0	112	E203 E204 K211	E203-K207 WeakPolarHBondContact O-CG 3.29Å; E203-K207 PolarHBondContact O-N 2.98Å; E203-K207 VanDerWaalsContact O-N 3.11Å; E203-K207 WeakPolarHBondContact OE1-CE 3.49Å; E203-K207 IonicContact OE1-NZ 3.22Å; E203-K207 PolarHBondContact OE1-NZ 2.79Å; E204-K207 PolarHBondContact O-N 3.29Å; E204-K207 WeakPolarHBondContact OE1-CD 3.36Å; E204-K207 IonicContact OE1-NZ 3.02Å; E204-K207 PolarHBondContact OE1-NZ 2.93Å; E204-K207 WeakPolarHBondContact OE2-CD 3.4Å; E204-K207 IonicContact OE2-NZ 3.89Å; K207-K211 WeakPolarHBondContact O-CB 3.24Å; K207-K211 PolarHBondContact O-N 3.44Å
208	L	98.8	Very high	98.1	Very high	30 Å²	30	41.4 Å²	41.4	16%	0.157	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-46.6	174	179	64.3	0	0	0	111.3	L125 A128 I132 E204 T205 Q206 K211 M212	L125-L208 HydrophobicContact CB-CD2 4.25Å; L125-L208 HydrophobicContact CD2-CB 4.33Å; L125-L208 HydrophobicContact CD2-CD2 3.91Å; L125-L208 VanDerWaalsContact O-CD2 3.28Å; L125-L208 WeakPolarHBondContact O-CD2 3.44Å; A128-L208 HydrophobicContact CB-CD2 3.93Å; I132-L208 HydrophobicContact CD1-CD2 4.25Å; I132-L208 HydrophobicContact CD1-CG 4.07Å; E204-L208 VanDerWaalsContact O-CB 3.31Å; E204-L208 WeakPolarHBondContact O-CB 3.48Å; E204-L208 PolarHBondContact O-N 2.81Å; T205-L208 PolarHBondContact O-N 2.83Å; Q206-L208 VanDerWaalsContact C-N 3.29Å; Q206-L208 PolarHBondContact O-N 3.27Å; L208-K211 PolarHBondContact O-N 2.71Å; L208-M212 HydrophobicContact CD1-CG 4.22Å; L208-M212 HydrophobicContact CD1-SD 3.71Å; L208-M212 HydrophobicContact CG-SD 4.05Å; L208-M212 WeakPolarHBondContact O-CB 3.32Å; L208-M212 VanDerWaalsContact O-CG 3.29Å; L208-M212 WeakPolarHBondContact O-CG 3.27Å; L208-M212 PolarHBondContact O-N 3.14Å
209	G	98.3	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53	-59.5	173.6	0	0	0	0	0	112.4	T205 Q206 K211 M212 R213 W218	T205-G209 PolarHBondContact O-N 3.09Å; Q206-G209 PolarHBondContact O-N 3.03Å; G209-K211 PolarHBondContact O-N 2.8Å; G209-M212 PolarHBondContact O-N 3.08Å; G209-R213 PolarHBondContact O-N 2.79Å; G209-W218 VanDerWaalsContact CA-CE2 3.43Å; G209-W218 PolarHBondContact O-NE1 2.96Å
210	Q	97.6	Very high	98.1	Very high	57 Å²	57	36.8 Å²	36.8	27%	0.266	18%	0.182	S	C	.	.	H	α-helix	trans	-59.3	-42.8	178.6	-66.3	-165.2	37.2	0	0	112.3	Q206 M212 R213 P214 W218 A258 S259 S260	Q206-Q210 WeakPolarHBondContact O-CG 3.16Å; Q206-Q210 PolarHBondContact O-N 3Å; Q210-M212 PolarHBondContact O-N 3.47Å; Q210-R213 CarbonylContact O-C 3.52Å; Q210-R213 PolarHBondContact O-N 3.03Å; Q210-P214 WeakPolarHBondContact O-CA 3.44Å; Q210-P214 WeakPolarHBondContact O-CB 3.28Å; Q210-P214 VanDerWaalsContact O-N 3.12Å; Q210-W218 HydrophobicContact CG-CB 4.07Å; Q210-W218 HydrophobicContact CG-CG 4.06Å; Q210-A258 PolarHBondContact NE2-O 2.77Å; Q210-S259 PolarHBondContact NE2-O 2.98Å; Q210-S260 PolarHBondContact NE2-OG 3.41Å
211	K	98.3	Very high	98.1	Very high	182 Å²	182	33 Å²	33	79%	0.791	17%	0.165	S	C	*	.	H	α-helix	trans	-61.2	-29.1	176.8	-179.6	178.5	178.3	-178	0	112.9	K207 L208 G209	K207-K211 WeakPolarHBondContact O-CB 3.24Å; K207-K211 PolarHBondContact O-N 3.44Å; L208-K211 PolarHBondContact O-N 2.71Å; G209-K211 PolarHBondContact O-N 2.8Å
212	M	98.4	Very high	98	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.133	17%	0.169	C	C	.	.	H	α-helix	trans	-92.6	-31.9	-179.6	-71.8	-175.9	59.1	0	0	113.7	S129 I132 R133 L208 G209 Q210	S129-M212 WeakPolarHBondContact O-CE 3.3Å; S129-M212 PolarHBondContact OG-SD 3.19Å; I132-M212 HydrophobicContact CB-CE 3.85Å; I132-M212 HydrophobicContact CB-SD 4.26Å; I132-M212 HydrophobicContact CD1-SD 4.14Å; I132-M212 HydrophobicContact CG2-CB 4.02Å; I132-M212 HydrophobicContact CG2-CE 3.73Å; I132-M212 HydrophobicContact CG2-SD 4.24Å; R133-M212 HydrophobicContact CG-CE 3.83Å; L208-M212 HydrophobicContact CD1-CG 4.22Å; L208-M212 HydrophobicContact CD1-SD 3.71Å; L208-M212 HydrophobicContact CG-SD 4.05Å; L208-M212 WeakPolarHBondContact O-CB 3.32Å; L208-M212 VanDerWaalsContact O-CG 3.29Å; L208-M212 WeakPolarHBondContact O-CG 3.27Å; L208-M212 PolarHBondContact O-N 3.14Å; G209-M212 PolarHBondContact O-N 3.08Å; Q210-M212 PolarHBondContact O-N 3.47Å
213	R	98	Very high	98	Very high	9 Å²	9	34.1 Å²	34.1	3%	0.034	17%	0.173	C	C	.	.	S	Bend	trans	-135.9	76.4	-177.8	-56.1	-63.5	174.8	-113.5	14.2	108.4	I132 I136 P137 D138 G209 Q210 S215 G216 W218	I132-R213 HydrophobicContact CG2-CG 3.99Å; I136-R213 HydrophobicContact CG2-CG 4.12Å; I136-R213 PolarHBondContact O-NE 3.12Å; I136-R213 PolarHBondContact O-NH2 3.31Å; P137-R213 PolarHBondContact O-NH2 3.31Å; D138-R213 WeakPolarHBondContact O-CD 3.46Å; D138-R213 PolarHBondContact O-NE 3.27Å; G209-R213 PolarHBondContact O-N 2.79Å; Q210-R213 CarbonylContact O-C 3.52Å; Q210-R213 PolarHBondContact O-N 3.03Å; R213-S215 VanDerWaalsContact C-N 3.31Å; R213-S215 PolarHBondContact O-N 3.18Å; R213-G216 PolarHBondContact O-N 3.49Å; R213-W218 HydrophobicContact CB-CZ2 4.02Å; R213-W218 HydrophobicContact CG-CZ2 4.06Å; R213-W218 PolarHBondContact O-NE1 3.19Å
214	P	95.9	Very high	98	Very high	95 Å²	95	33 Å²	33	62%	0.617	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.4	-166.6	28.6	-36.2	0	0	0	114.5	Q210	Q210-P214 WeakPolarHBondContact O-CA 3.44Å; Q210-P214 WeakPolarHBondContact O-CB 3.28Å; Q210-P214 VanDerWaalsContact O-N 3.12Å
215	S	94.5	Very high	98	Very high	55 Å²	55	30.5 Å²	30.5	39%	0.385	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.5	172.3	-50	0	0	0	0	112.8	F141 R213	F141-S215 CarbonylContact O-C 3.59Å; F141-S215 WeakPolarHBondContact O-CB 3.49Å; R213-S215 VanDerWaalsContact C-N 3.31Å; R213-S215 PolarHBondContact O-N 3.18Å
216	G	96.7	Very high	98	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	-75.2	140	-177.2	0	0	0	0	0	111.2	F141 R213 W218 S260	F141-G216 WeakPolarHBondContact O-CA 3.21Å; F141-G216 PolarHBondContact O-N 2.82Å; R213-G216 PolarHBondContact O-N 3.49Å; G216-W218 PolarHBondContact O-N 3.1Å; G216-W218 VanDerWaalsContact O-N 3.16Å; G216-S260 PolarHBondContact O-OG 3.49Å
217	L	97.5	Very high	97.9	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	88.2	-177.5	-66.8	169.9	0	0	0	109.3	F46 G143 L144 A145 A261 Y263 P303 F305	F46-L217 HydrophobicContact CB-CD1 3.7Å; G143-L217 PolarHBondContact O-N 2.03Å; L144-L217 HydrophobicContact CD2-CB 4.18Å; L144-L217 HydrophobicContact CD2-CD1 3.79Å; A145-L217 PolarHBondContact N-O 3.36Å; L217-A261 HydrophobicContact CB-CB 3.88Å; L217-A261 HydrophobicContact CD2-CB 4.38Å; L217-Y263 PolarHBondContact O-OH 3Å; L217-P303 HydrophobicContact CD2-CG 3.94Å; L217-F305 HydrophobicContact CD1-CE2 3.88Å; L217-F305 HydrophobicContact CD1-CZ 4.09Å
218	W	98.6	Very high	97.8	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.5	-176.6	-68.1	88.6	0	0	0	112.5	F93 I132 I136 A145 V147 G209 Q210 R213 G216 S260 A261	F93-W218 HydrophobicContact CD2-CZ3 4.16Å; F93-W218 AromaticContact CE2-CH2 3.63Å; F93-W218 HydrophobicContact CE2-CH2 3.63Å; F93-W218 AromaticContact CE2-CZ3 3.61Å; F93-W218 HydrophobicContact CE2-CZ3 3.61Å; F93-W218 HydrophobicContact CZ-CH2 4.05Å; F93-W218 HydrophobicContact CZ-CZ3 4.4Å; I132-W218 HydrophobicContact CD1-CH2 4.27Å; I132-W218 HydrophobicContact CG1-CH2 3.98Å; I132-W218 HydrophobicContact CG2-CH2 4.28Å; I132-W218 HydrophobicContact CG2-CZ2 4.31Å; I136-W218 HydrophobicContact CD1-CH2 4.03Å; I136-W218 HydrophobicContact CD1-CZ2 4.09Å; A145-W218 HydrophobicContact CB-CD2 3.48Å; A145-W218 VanDerWaalsContact CB-CD2 3.48Å; A145-W218 HydrophobicContact CB-CE3 3.64Å; A145-W218 HydrophobicContact CB-CG 3.99Å; A145-W218 HydrophobicContact CB-CH2 4Å; A145-W218 HydrophobicContact CB-CZ2 3.88Å; A145-W218 HydrophobicContact CB-CZ3 3.9Å; A145-W218 WeakPolarHBondContact O-CA 3.44Å; V147-W218 HydrophobicContact CG2-CE3 4.37Å; V147-W218 HydrophobicContact CG2-CZ3 4.42Å; G209-W218 VanDerWaalsContact CA-CE2 3.43Å; G209-W218 PolarHBondContact O-NE1 2.96Å; Q210-W218 HydrophobicContact CG-CB 4.07Å; Q210-W218 HydrophobicContact CG-CG 4.06Å; R213-W218 HydrophobicContact CB-CZ2 4.02Å; R213-W218 HydrophobicContact CG-CZ2 4.06Å; R213-W218 PolarHBondContact O-NE1 3.19Å; G216-W218 PolarHBondContact O-N 3.1Å; G216-W218 VanDerWaalsContact O-N 3.16Å; W218-S260 PolarHBondContact N-OG 2.79Å; W218-S260 PolarHBondContact O-N 2.78Å; W218-S260 PolarHBondContact O-OG 2.95Å; W218-A261 PolarHBondContact O-N 3.3Å
219	G	98.7	Very high	97.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	165.5	174.6	0	0	0	0	0	112.6	A145 V147	A145-G219 PolarHBondContact O-N 3.24Å; V147-G219 PolarHBondContact N-O 2.67Å
220	F	98.9	Very high	97.3	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.022	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.7	172.8	-76.3	-86.1	0	0	0	111.6	V147 W149 M202 Q206 F223 L255	V147-F220 HydrophobicContact CB-CD1 3.69Å; V147-F220 HydrophobicContact CB-CE1 3.69Å; V147-F220 HydrophobicContact CB-CG 4.36Å; V147-F220 HydrophobicContact CB-CZ 4.38Å; V147-F220 HydrophobicContact CG1-CD1 3.78Å; V147-F220 HydrophobicContact CG1-CE1 3.38Å; V147-F220 HydrophobicContact CG1-CZ 4.2Å; V147-F220 WeakPolarHBondContact O-CA 3.3Å; V147-F220 WeakPolarHBondContact O-CD1 3.46Å; W149-F220 HydrophobicContact CB-CD1 4.29Å; W149-F220 HydrophobicContact CB-CE1 4.14Å; W149-F220 AromaticContact CD2-CE1 3.82Å; W149-F220 HydrophobicContact CD2-CE1 3.82Å; W149-F220 AromaticContact CE3-CE1 3.53Å; W149-F220 HydrophobicContact CE3-CE1 3.53Å; W149-F220 HydrophobicContact CE3-CZ 4.01Å; W149-F220 HydrophobicContact CG-CE1 4.12Å; W149-F220 HydrophobicContact CZ3-CE1 4.11Å; W149-F220 HydrophobicContact CZ3-CZ 4.14Å; M202-F220 HydrophobicContact CB-CE2 3.72Å; M202-F220 HydrophobicContact CB-CZ 3.74Å; M202-F220 HydrophobicContact CE-CB 4.38Å; M202-F220 HydrophobicContact CE-CD1 3.79Å; M202-F220 HydrophobicContact CE-CD2 3.64Å; M202-F220 HydrophobicContact CE-CE1 3.9Å; M202-F220 HydrophobicContact CE-CE2 3.71Å; M202-F220 HydrophobicContact CE-CG 3.67Å; M202-F220 HydrophobicContact CE-CZ 3.87Å; M202-F220 HydrophobicContact CG-CE1 4.27Å; M202-F220 HydrophobicContact CG-CE2 4.09Å; M202-F220 HydrophobicContact CG-CZ 3.75Å; Q206-F220 HydrophobicContact CG-CD2 4.08Å; Q206-F220 HydrophobicContact CG-CE2 3.56Å; Q206-F220 HydrophobicContact CG-CZ 4.38Å; F220-F223 HydrophobicContact CB-CB 4.37Å; F220-F223 HydrophobicContact CB-CD2 3.65Å; F220-F223 HydrophobicContact CB-CE2 4.3Å; F220-F223 HydrophobicContact CB-CG 4.28Å; F220-L255 HydrophobicContact CD2-CD1 3.79Å; F220-L255 HydrophobicContact CE2-CD1 3.94Å
221	Y	98.8	Very high	96.9	Very high	30 Å²	30	35.1 Å²	35.1	12%	0.118	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-63.7	141.4	171.1	162.1	-95	0	0	0	111.5	V147 D148 E150 F223 D265 Y267 Y307	V147-Y221 PolarHBondContact O-N 3.27Å; D148-Y221 WeakPolarHBondContact OD1-CD1 3.46Å; E150-Y221 HydrophobicContact CG-CD1 4.3Å; E150-Y221 HydrophobicContact CG-CE1 4.15Å; Y221-F223 VanDerWaalsContact C-N 3.33Å; Y221-F223 VanDerWaalsContact O-CD2 3.31Å; Y221-F223 WeakPolarHBondContact O-CD2 3.47Å; Y221-D265 HydrophobicContact CE2-CB 4.08Å; Y221-Y267 HydrophobicContact CE2-CE2 4.33Å; Y221-Y267 AromaticContact CE2-CZ 3.95Å; Y221-Y267 WeakPolarHBondContact OH-CE2 3.44Å; Y221-Y307 AromaticContact CD2-CD1 3.85Å; Y221-Y307 HydrophobicContact CD2-CD1 3.85Å; Y221-Y307 HydrophobicContact CD2-CD2 4.04Å; Y221-Y307 HydrophobicContact CD2-CE1 4.3Å; Y221-Y307 HydrophobicContact CD2-CE2 4.46Å; Y221-Y307 AromaticContact CD2-CG 3.71Å; Y221-Y307 HydrophobicContact CD2-CG 3.71Å; Y221-Y307 AromaticContact CE2-CD1 3.93Å; Y221-Y307 HydrophobicContact CE2-CD1 3.93Å; Y221-Y307 AromaticContact CE2-CG 3.91Å; Y221-Y307 HydrophobicContact CE2-CG 3.91Å
222	G	98.2	Very high	96.2	Very high	10 Å²	10	32.4 Å²	32.4	10%	0.103	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	11.1	-179.8	0	0	0	0	0	114.4	P224 N225 Y263	G222-P224 CarbonylContact O-C 3.59Å; G222-N225 WeakPolarHBondContact O-CB 3.42Å; G222-Y263 PolarHBondContact N-O 3.39Å
223	F	98.7	Very high	95.6	Very high	25 Å²	25	40.7 Å²	40.7	11%	0.11	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-121.5	134.5	-177.5	-75.7	-91.2	0	0	0	113.5	P154 M202 F220 Y221 L252 L255 W256 Y263	P154-F223 HydrophobicContact CG-CE1 4.04Å; P154-F223 HydrophobicContact CG-CZ 4.21Å; M202-F223 HydrophobicContact CE-CE2 4.08Å; M202-F223 HydrophobicContact CE-CZ 4.03Å; F220-F223 HydrophobicContact CB-CB 4.37Å; F220-F223 HydrophobicContact CB-CD2 3.65Å; F220-F223 HydrophobicContact CB-CE2 4.3Å; F220-F223 HydrophobicContact CB-CG 4.28Å; Y221-F223 VanDerWaalsContact C-N 3.33Å; Y221-F223 VanDerWaalsContact O-CD2 3.31Å; Y221-F223 WeakPolarHBondContact O-CD2 3.47Å; F223-L252 HydrophobicContact CE1-CD1 4.33Å; F223-L255 HydrophobicContact CB-CD2 4.47Å; F223-L255 HydrophobicContact CD1-CD2 3.63Å; F223-L255 HydrophobicContact CE1-CD2 4.03Å; F223-L255 HydrophobicContact CG-CD2 4.1Å; F223-W256 HydrophobicContact CB-CH2 4.38Å; F223-W256 HydrophobicContact CB-CZ3 4.05Å; F223-W256 HydrophobicContact CD1-CH2 4.21Å; F223-W256 HydrophobicContact CD1-CZ3 4.46Å; F223-Y263 PolarHBondContact N-O 3.02Å; F223-Y263 CarbonylContact O-C 3.57Å; F223-Y263 PolarHBondContact O-N 3.32Å
224	P	98.6	Very high	95	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.013	21%	0.207	C	C	.	.	S	Bend	cis	-66.8	161.8	-11.4	32.2	-38.2	0	0	0	111.7	G222 W256 E289 A290 V293	G222-P224 CarbonylContact O-C 3.59Å; P224-W256 HydrophobicContact CB-CH2 3.74Å; P224-W256 HydrophobicContact CB-CZ2 4.06Å; P224-W256 HydrophobicContact CB-CZ3 4.47Å; P224-E289 HydrophobicContact CB-CG 4.21Å; P224-E289 HydrophobicContact CG-CG 4.1Å; P224-A290 HydrophobicContact CG-CB 3.9Å; P224-V293 HydrophobicContact CB-CG2 4.25Å; P224-V293 HydrophobicContact CG-CG2 3.71Å
225	N	97.9	Very high	94.5	Very high	14 Å²	14	43.3 Å²	43.3	8%	0.075	21%	0.214	C	C	.	.			trans	-114.3	138	170.4	-156.2	-55.5	0	0	0	110.3	G222 Y227 N249 D265 R286	G222-N225 WeakPolarHBondContact O-CB 3.42Å; N225-Y227 HydrophobicContact CB-CD2 4.08Å; N225-Y227 HydrophobicContact CB-CE2 3.59Å; N225-Y227 PolarHBondContact OD1-N 3.12Å; N225-N249 PolarHBondContact O-ND2 3.19Å; N225-N249 VanDerWaalsContact O-ND2 3.09Å; N225-D265 PolarHBondContact ND2-OD2 2.78Å; N225-R286 PolarHBondContact ND2-NH2 3.12Å; N225-R286 VanDerWaalsContact ND2-NH2 3.12Å; N225-R286 PolarHBondContact OD1-NH1 3.06Å; N225-R286 VanDerWaalsContact OD1-NH1 3.09Å; N225-R286 PolarHBondContact OD1-NH2 3.43Å; N225-R286 VanDerWaalsContact OD1-NH2 3.14Å
226	C	98.1	Very high	94.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	23%	0.234	C	C	.	.			trans	-92.5	-17.2	-176.4	-176.1	0	0	0	0	112.6	N228 C241 P242 R286	C226-N228 HydrophobicContact CB-CB 4.43Å; C226-N228 PolarHBondContact O-N 2.97Å; C226-N228 VanDerWaalsContact SG-CB 3.6Å; C226-C241 HydrophobicContact CB-CB 3.99Å; C226-C241 WeakPolarHBondContact CB-SG 3.4Å; C226-C241 WeakPolarHBondContact O-CA 3.4Å; C226-C241 WeakPolarHBondContact O-CB 3.42Å; C226-C241 WeakPolarHBondContact SG-CA 3.09Å; C226-C241 WeakPolarHBondContact SG-CB 3.47Å; C226-C241 PolarHBondContact SG-N 3.36Å; C226-C241 VanDerWaalsContact SG-N 3.36Å; C226-C241 CovalentContact SG-SG 2.03Å; C226-C241 PolarHBondContact SG-SG 2.78Å; C226-P242 WeakPolarHBondContact O-CD 3.39Å; C226-R286 HydrophobicContact CB-CB 4.45Å; C226-R286 HydrophobicContact CB-CG 3.71Å
227	Y	96.9	Very high	94.3	Very high	29 Å²	29	49.2 Å²	49.2	11%	0.114	24%	0.239	C	C	.	.			trans	51.1	19.6	-176.8	-63.3	-88.3	0	0	0	115.8	R153 R158 W160 N225 Y229 E245	R153-Y227 WeakPolarHBondContact CD-OH 3.47Å; R158-Y227 HydrophobicContact CG-CE2 4.49Å; W160-Y227 HydrophobicContact CH2-CD1 4.04Å; W160-Y227 HydrophobicContact CH2-CE1 4.1Å; W160-Y227 AromaticContact CZ2-CD1 3.62Å; W160-Y227 HydrophobicContact CZ2-CD1 3.62Å; W160-Y227 AromaticContact CZ2-CE1 3.57Å; W160-Y227 HydrophobicContact CZ2-CE1 3.57Å; N225-Y227 HydrophobicContact CB-CD2 4.08Å; N225-Y227 HydrophobicContact CB-CE2 3.59Å; N225-Y227 PolarHBondContact OD1-N 3.12Å; Y227-Y229 AromaticContact CD1-CE2 3.88Å; Y227-Y229 HydrophobicContact CD1-CE2 3.88Å; Y227-Y229 PolarHBondContact O-N 2.97Å; Y227-E245 HydrophobicContact CD2-CB 4.33Å; Y227-E245 HydrophobicContact CD2-CG 4Å; Y227-E245 WeakPolarHBondContact CD2-OE2 3.19Å; Y227-E245 HydrophobicContact CG-CG 4.33Å
228	N	97.3	Very high	94.2	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	26%	0.259	C	S	.	.			trans	-77.9	38.1	-177.9	65.4	-31.2	0	0	0	114.1	C226 Y230 Y237 G239 K240 Y282 R286	C226-N228 HydrophobicContact CB-CB 4.43Å; C226-N228 PolarHBondContact O-N 2.97Å; C226-N228 VanDerWaalsContact SG-CB 3.6Å; N228-Y230 PolarHBondContact O-N 3.48Å; N228-Y237 WeakPolarHBondContact O-CE2 3.5Å; N228-Y237 PolarHBondContact O-OH 3.11Å; N228-G239 WeakPolarHBondContact CB-O 3.49Å; N228-G239 PolarHBondContact ND2-O 3.15Å; N228-K240 WeakPolarHBondContact CB-O 3.45Å; N228-Y282 PolarHBondContact ND2-O 2.73Å; N228-R286 VanDerWaalsContact OD1-CD 3.28Å; N228-R286 WeakPolarHBondContact OD1-CD 3.37Å; N228-R286 VanDerWaalsContact OD1-CG 3.25Å; N228-R286 WeakPolarHBondContact OD1-CG 3.23Å; N228-R286 PolarHBondContact OD1-NH1 3.29Å
229	Y	94	Very high	94.2	Very high	117 Å²	117	52.4 Å²	52.4	46%	0.459	26%	0.259	S	S	.	.			trans	-62.2	133.7	-171.9	-60.6	-70.4	0	0	0	112.9	Y227 Y282	Y227-Y229 AromaticContact CD1-CE2 3.88Å; Y227-Y229 HydrophobicContact CD1-CE2 3.88Å; Y227-Y229 PolarHBondContact O-N 2.97Å; Y229-Y282 HydrophobicContact CD1-CE2 4.37Å
230	Y	92.8	Very high	94.1	Very high	46 Å²	46	58.9 Å²	58.9	18%	0.18	29%	0.287	C	S	.	.			trans	-82.1	152.8	171.8	177.6	-95.4	0	0	0	111.3	N228 Y237 L272 L275 E278	N228-Y230 PolarHBondContact O-N 3.48Å; Y230-Y237 AromaticContact CD2-CD1 3.98Å; Y230-Y237 HydrophobicContact CD2-CD1 3.98Å; Y230-Y237 AromaticContact CD2-CD2 3.92Å; Y230-Y237 HydrophobicContact CD2-CD2 3.92Å; Y230-Y237 HydrophobicContact CD2-CE1 4.31Å; Y230-Y237 HydrophobicContact CD2-CE2 4.25Å; Y230-Y237 AromaticContact CD2-CG 3.77Å; Y230-Y237 HydrophobicContact CD2-CG 3.77Å; Y230-Y237 HydrophobicContact CE2-CG 4.42Å; Y230-L272 HydrophobicContact CD1-CD2 3.79Å; Y230-L272 HydrophobicContact CD1-CG 4.16Å; Y230-L272 HydrophobicContact CG-CD2 3.82Å; Y230-L275 HydrophobicContact CD1-CD1 4.03Å; Y230-L275 HydrophobicContact CE1-CD1 3.31Å; Y230-L275 HydrophobicContact CE2-CD1 4.22Å; Y230-L275 VanDerWaalsContact CZ-CD1 3.43Å; Y230-E278 HydrophobicContact CD2-CB 4.22Å; Y230-E278 HydrophobicContact CD2-CG 4.24Å; Y230-E278 HydrophobicContact CE2-CB 4.24Å; Y230-E278 HydrophobicContact CE2-CG 3.85Å
231	N	87.4	Confident	94.1	Very high	68 Å²	68	59.1 Å²	59.1	36%	0.364	29%	0.289	S	S	.	.			trans	-154.9	166.5	165.6	54.6	67.9	0	0	0	110.6	R233 S234	N231-R233 PolarHBondContact O-N 2.79Å; N231-R233 PolarHBondContact OD1-N 3.37Å; N231-R233 VanDerWaalsContact OD1-N 3.15Å; N231-S234 VanDerWaalsContact CG-OG 3.27Å; N231-S234 PolarHBondContact N-OG 2.89Å; N231-S234 VanDerWaalsContact N-OG 3.14Å; N231-S234 PolarHBondContact ND2-OG 3.05Å; N231-S234 WeakPolarHBondContact O-CB 3.45Å; N231-S234 PolarHBondContact O-N 3.41Å; N231-S234 PolarHBondContact O-OG 3.06Å; N231-S234 PolarHBondContact OD1-N 3.21Å; N231-S234 PolarHBondContact OD1-OG 2.99Å
232	D	83.3	Confident	94	Very high	124 Å²	124	60.4 Å²	60.4	66%	0.663	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-28.6	178	67.4	-39.1	0	0	0	115
233	R	86.6	Confident	94	Very high	201 Å²	201	66 Å²	66	76%	0.758	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	3.6	-177.6	-62.3	157.1	-157.1	-159.6	1.8	113.5	N231 V235	N231-R233 PolarHBondContact O-N 2.79Å; N231-R233 PolarHBondContact OD1-N 3.37Å; N231-R233 VanDerWaalsContact OD1-N 3.15Å; R233-V235 PolarHBondContact O-N 2.91Å
234	S	85.2	Confident	94	Very high	32 Å²	32	68.3 Å²	68.3	22%	0.224	35%	0.345	C	S	.	.			trans	-76.6	81	-173.4	-64.5	0	0	0	0	113.1	N231 N236	N231-S234 VanDerWaalsContact CG-OG 3.27Å; N231-S234 PolarHBondContact N-OG 2.89Å; N231-S234 VanDerWaalsContact N-OG 3.14Å; N231-S234 PolarHBondContact ND2-OG 3.05Å; N231-S234 WeakPolarHBondContact O-CB 3.45Å; N231-S234 PolarHBondContact O-N 3.41Å; N231-S234 PolarHBondContact O-OG 3.06Å; N231-S234 PolarHBondContact OD1-N 3.21Å; N231-S234 PolarHBondContact OD1-OG 2.99Å; S234-N236 PolarHBondContact O-N 3.31Å
235	V	86	Confident	94	Very high	128 Å²	128	68.6 Å²	68.6	78%	0.776	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	129	174.2	-176.7	0	0	0	0	110.6	R233 Y237	R233-V235 PolarHBondContact O-N 2.91Å; V235-Y237 VanDerWaalsContact C-N 3.29Å; V235-Y237 PolarHBondContact O-N 3.48Å
236	N	90.9	Very high	94	Very high	148 Å²	148	70.1 Å²	70.1	79%	0.791	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	41	179.9	-64	-28.3	0	0	0	114.1	S234 T238	S234-N236 PolarHBondContact O-N 3.31Å; N236-T238 WeakPolarHBondContact O-CG2 3.21Å; N236-T238 PolarHBondContact O-N 3.25Å; N236-T238 VanDerWaalsContact O-N 3.15Å
237	Y	95.9	Very high	94	Very high	33 Å²	33	73.9 Å²	73.9	13%	0.129	38%	0.377	C	S	.	.			trans	-50.8	119.3	177.5	-177	-102.1	0	0	0	112.2	N228 Y230 V235 E278 L281 Y282	N228-Y237 WeakPolarHBondContact O-CE2 3.5Å; N228-Y237 PolarHBondContact O-OH 3.11Å; Y230-Y237 AromaticContact CD2-CD1 3.98Å; Y230-Y237 HydrophobicContact CD2-CD1 3.98Å; Y230-Y237 AromaticContact CD2-CD2 3.92Å; Y230-Y237 HydrophobicContact CD2-CD2 3.92Å; Y230-Y237 HydrophobicContact CD2-CE1 4.31Å; Y230-Y237 HydrophobicContact CD2-CE2 4.25Å; Y230-Y237 AromaticContact CD2-CG 3.77Å; Y230-Y237 HydrophobicContact CD2-CG 3.77Å; Y230-Y237 HydrophobicContact CE2-CG 4.42Å; V235-Y237 VanDerWaalsContact C-N 3.29Å; V235-Y237 PolarHBondContact O-N 3.48Å; Y237-E278 HydrophobicContact CD1-CB 4.2Å; Y237-E278 HydrophobicContact CD1-CG 4.28Å; Y237-E278 HydrophobicContact CE1-CB 4.49Å; Y237-E278 WeakPolarHBondContact CE1-O 3.48Å; Y237-L281 HydrophobicContact CE1-CB 4.17Å; Y237-Y282 WeakPolarHBondContact OH-CA 3.1Å; Y237-Y282 WeakPolarHBondContact OH-CB 3.39Å
238	T	96.4	Very high	94	Very high	80 Å²	80	74.8 Å²	74.8	49%	0.491	38%	0.38	S	S	.	.			trans	-101.3	-10.4	-179.6	62.3	0	0	0	0	113.5	N236 K240 H285	N236-T238 WeakPolarHBondContact O-CG2 3.21Å; N236-T238 PolarHBondContact O-N 3.25Å; N236-T238 VanDerWaalsContact O-N 3.15Å; T238-K240 PolarHBondContact O-N 3.09Å; T238-K240 VanDerWaalsContact O-N 3.11Å; T238-K240 PolarHBondContact OG1-N 3.19Å; T238-H285 PolarHBondContact O-CE1 3.43Å
239	G	97.3	Very high	94.1	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.01	38%	0.378	C	S	.	.			trans	68.5	-8.7	-172	0	0	0	0	0	116.2	N228 L281 H285	N228-G239 WeakPolarHBondContact CB-O 3.49Å; N228-G239 PolarHBondContact ND2-O 3.15Å; G239-L281 WeakPolarHBondContact CA-O 3.43Å; G239-H285 WeakPolarHBondContact O-CB 3.46Å; G239-H285 VanDerWaalsContact O-CG 3.3Å; G239-H285 PolarHBondContact O-ND1 2.6Å
240	K	97.7	Very high	94.3	Very high	135 Å²	135	71.9 Å²	71.9	59%	0.587	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-59	144.3	-179.9	-70.7	-178.4	173	-170.3	0	112.3	N228 T238 H285	N228-K240 WeakPolarHBondContact CB-O 3.45Å; T238-K240 PolarHBondContact O-N 3.09Å; T238-K240 VanDerWaalsContact O-N 3.11Å; T238-K240 PolarHBondContact OG1-N 3.19Å; K240-H285 WeakPolarHBondContact CG-NE2 3.29Å
241	C	98.4	Very high	94.5	Very high	10 Å²	10	74.9 Å²	74.9	7%	0.068	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62.9	138.6	163.3	-39.3	0	0	0	0	108.9	C226 L246	C226-C241 HydrophobicContact CB-CB 3.99Å; C226-C241 WeakPolarHBondContact CB-SG 3.4Å; C226-C241 WeakPolarHBondContact O-CA 3.4Å; C226-C241 WeakPolarHBondContact O-CB 3.42Å; C226-C241 WeakPolarHBondContact SG-CA 3.09Å; C226-C241 WeakPolarHBondContact SG-CB 3.47Å; C226-C241 PolarHBondContact SG-N 3.36Å; C226-C241 VanDerWaalsContact SG-N 3.36Å; C226-C241 CovalentContact SG-SG 2.03Å; C226-C241 PolarHBondContact SG-SG 2.78Å; C241-L246 HydrophobicContact CB-CD2 3.74Å; C241-L246 HydrophobicContact CB-CG 4.27Å
242	P	97.5	Very high	95	Very high	57 Å²	57	71.8 Å²	71.8	37%	0.37	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61	142.2	172.4	-21.4	33.4	0	0	0	110.8	C226 V244 E245 L246	C226-P242 WeakPolarHBondContact O-CD 3.39Å; P242-V244 HydrophobicContact CB-CG1 4.21Å; P242-V244 PolarHBondContact O-N 3.06Å; P242-V244 VanDerWaalsContact O-N 3.12Å; P242-E245 HydrophobicContact CB-CG 4.2Å; P242-E245 HydrophobicContact CG-CG 4.24Å; P242-E245 WeakPolarHBondContact O-CA 3.33Å; P242-E245 WeakPolarHBondContact O-CB 3.4Å; P242-E245 PolarHBondContact O-N 3.22Å; P242-L246 PolarHBondContact O-N 2.84Å
243	D	97.7	Very high	95.7	Very high	128 Å²	128	69.7 Å²	69.7	68%	0.684	36%	0.357	S	S	*	.	H	α-helix	trans	-57.1	-35.2	-173.6	-56.1	-46	0	0	0	112.9	E245 L246 T247	D243-E245 PolarHBondContact O-N 3.33Å; D243-L246 WeakPolarHBondContact O-CB 3.43Å; D243-L246 PolarHBondContact O-N 3.02Å; D243-T247 PolarHBondContact O-N 2.99Å; D243-T247 VanDerWaalsContact O-N 3.12Å; D243-T247 PolarHBondContact O-OG1 3.49Å
244	V	97.9	Very high	96.3	Very high	74 Å²	74	61.5 Å²	61.5	45%	0.448	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-28.4	174.7	66.4	0	0	0	0	113.2	P242 R248	P242-V244 HydrophobicContact CB-CG1 4.21Å; P242-V244 PolarHBondContact O-N 3.06Å; P242-V244 VanDerWaalsContact O-N 3.12Å; V244-R248 WeakPolarHBondContact O-CB 3.43Å; V244-R248 WeakPolarHBondContact O-CD 3.33Å; V244-R248 WeakPolarHBondContact O-CG 3.49Å; V244-R248 PolarHBondContact O-N 3.11Å
245	E	98.1	Very high	96.9	Very high	8 Å²	8	60 Å²	60	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-83	-29.1	178.9	-59.4	-58.2	145.7	0	0	112.2	R158 Y227 P242 D243 R248 N249	R158-E245 IonicContact CZ-OE2 3.43Å; R158-E245 IonicContact NE-OE2 3.58Å; R158-E245 PolarHBondContact NE-OE2 3.41Å; R158-E245 PolarHBondContact NH2-O 2.81Å; R158-E245 IonicContact NH2-OE2 2.76Å; R158-E245 PolarHBondContact NH2-OE2 2.86Å; Y227-E245 HydrophobicContact CD2-CB 4.33Å; Y227-E245 HydrophobicContact CD2-CG 4Å; Y227-E245 WeakPolarHBondContact CD2-OE2 3.19Å; Y227-E245 HydrophobicContact CG-CG 4.33Å; P242-E245 HydrophobicContact CB-CG 4.2Å; P242-E245 HydrophobicContact CG-CG 4.24Å; P242-E245 WeakPolarHBondContact O-CA 3.33Å; P242-E245 WeakPolarHBondContact O-CB 3.4Å; P242-E245 PolarHBondContact O-N 3.22Å; D243-E245 PolarHBondContact O-N 3.33Å; E245-R248 PolarHBondContact O-N 3.4Å; E245-R248 IonicContact OE1-CZ 2.87Å; E245-R248 IonicContact OE1-NH1 2.83Å; E245-R248 PolarHBondContact OE1-NH1 2.91Å; E245-R248 WeakPolarHBondContact OE2-CD 3.46Å; E245-N249 WeakPolarHBondContact O-CB 3.07Å; E245-N249 PolarHBondContact O-N 3.39Å; E245-N249 PolarHBondContact O-ND2 2.95Å
246	L	98.2	Very high	97.5	Very high	46 Å²	46	54 Å²	54	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-50.2	166.8	-56.7	177.5	0	0	0	109.8	C241 P242 D243 R248 N249 D250 E289 R292	C241-L246 HydrophobicContact CB-CD2 3.74Å; C241-L246 HydrophobicContact CB-CG 4.27Å; P242-L246 PolarHBondContact O-N 2.84Å; D243-L246 WeakPolarHBondContact O-CB 3.43Å; D243-L246 PolarHBondContact O-N 3.02Å; L246-R248 PolarHBondContact O-N 3.1Å; L246-N249 PolarHBondContact O-N 2.86Å; L246-D250 PolarHBondContact O-N 2.88Å; L246-E289 WeakPolarHBondContact CD2-OE2 3.42Å; L246-R292 PolarHBondContact O-NH2 3.16Å
247	T	98.1	Very high	97.8	Very high	79 Å²	79	51.3 Å²	51.3	49%	0.485	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-45.1	176.1	-51	0	0	0	0	112	D243 N249 D250 E251	D243-T247 PolarHBondContact O-N 2.99Å; D243-T247 VanDerWaalsContact O-N 3.12Å; D243-T247 PolarHBondContact O-OG1 3.49Å; T247-N249 PolarHBondContact O-N 2.68Å; T247-D250 PolarHBondContact O-N 3.27Å; T247-D250 VanDerWaalsContact O-N 3.12Å; T247-E251 WeakPolarHBondContact O-CG 3.03Å; T247-E251 PolarHBondContact O-N 2.69Å
248	R	98	Very high	97.8	Very high	48 Å²	48	50 Å²	50	18%	0.181	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-20.9	175.6	-74.3	166.6	176.4	173.4	0.5	114	V155 E157 V244 E245 L246 L252	V155-R248 HydrophobicContact CG1-CG 4.29Å; E157-R248 VanDerWaalsContact CB-NH2 3.33Å; V244-R248 WeakPolarHBondContact O-CB 3.43Å; V244-R248 WeakPolarHBondContact O-CD 3.33Å; V244-R248 WeakPolarHBondContact O-CG 3.49Å; V244-R248 PolarHBondContact O-N 3.11Å; E245-R248 PolarHBondContact O-N 3.4Å; E245-R248 IonicContact OE1-CZ 2.87Å; E245-R248 IonicContact OE1-NH1 2.83Å; E245-R248 PolarHBondContact OE1-NH1 2.91Å; E245-R248 WeakPolarHBondContact OE2-CD 3.46Å; L246-R248 PolarHBondContact O-N 3.1Å; R248-L252 WeakPolarHBondContact O-CG 3.25Å
249	N	98.6	Very high	97.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-85.7	-28.2	172.8	-70.8	-18	0	0	0	111.7	R158 N225 E245 L246 T247 L252 W256 E289 V293	R158-N249 VanDerWaalsContact CZ-OD1 3.28Å; R158-N249 PolarHBondContact NH1-OD1 3.4Å; R158-N249 PolarHBondContact NH2-OD1 3.34Å; N225-N249 PolarHBondContact O-ND2 3.19Å; N225-N249 VanDerWaalsContact O-ND2 3.09Å; E245-N249 WeakPolarHBondContact O-CB 3.07Å; E245-N249 PolarHBondContact O-N 3.39Å; E245-N249 PolarHBondContact O-ND2 2.95Å; L246-N249 PolarHBondContact O-N 2.86Å; T247-N249 PolarHBondContact O-N 2.68Å; N249-L252 WeakPolarHBondContact O-CB 3.31Å; N249-L252 PolarHBondContact O-N 3.07Å; N249-W256 HydrophobicContact CB-CZ2 4.16Å; N249-W256 WeakPolarHBondContact O-CZ2 3.48Å; N249-W256 PolarHBondContact O-NE1 2.9Å; N249-E289 WeakPolarHBondContact CB-OE1 3.37Å; N249-E289 PolarHBondContact ND2-OE1 3.25Å; N249-V293 HydrophobicContact CB-CG1 4.34Å
250	D	98.3	Very high	97.9	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-71.3	-36.3	171.3	-63.6	-22.9	0	0	0	111.4	L246 T247 L252 F253 R292 Q296	L246-D250 PolarHBondContact O-N 2.88Å; T247-D250 PolarHBondContact O-N 3.27Å; T247-D250 VanDerWaalsContact O-N 3.12Å; D250-L252 PolarHBondContact O-N 3.49Å; D250-L252 VanDerWaalsContact O-N 3.13Å; D250-F253 PolarHBondContact O-N 3.5Å; D250-F253 VanDerWaalsContact O-N 3.1Å; D250-R292 IonicContact OD1-CZ 3.43Å; D250-R292 VanDerWaalsContact OD1-CZ 3.23Å; D250-R292 IonicContact OD1-NH1 3.68Å; D250-R292 PolarHBondContact OD1-NH1 3.41Å; D250-R292 IonicContact OD1-NH2 2.72Å; D250-R292 PolarHBondContact OD1-NH2 3.34Å; D250-R292 IonicContact OD2-NH1 2.7Å; D250-R292 PolarHBondContact OD2-NH1 2.69Å; D250-R292 IonicContact OD2-NH2 3.59Å; D250-Q296 PolarHBondContact OD1-NE2 3.32Å
251	E	97.3	Very high	97.9	Very high	109 Å²	109	41.2 Å²	41.2	51%	0.509	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.5	168	-70.6	176.3	162.5	0	0	113.3	T247 W254	T247-E251 WeakPolarHBondContact O-CG 3.03Å; T247-E251 PolarHBondContact O-N 2.69Å; E251-W254 PolarHBondContact O-NE1 2.79Å
252	L	98.5	Very high	97.9	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16	176.7	-68.1	175.6	0	0	0	113.9	P154 V155 F223 R248 N249 D250 W254 L255 W256	P154-L252 HydrophobicContact CB-CD2 4.29Å; P154-L252 HydrophobicContact CG-CD2 3.86Å; V155-L252 HydrophobicContact CG2-CD1 4.1Å; V155-L252 HydrophobicContact CG2-CD2 4.01Å; V155-L252 HydrophobicContact CG2-CG 4.09Å; F223-L252 HydrophobicContact CE1-CD1 4.33Å; R248-L252 WeakPolarHBondContact O-CG 3.25Å; N249-L252 WeakPolarHBondContact O-CB 3.31Å; N249-L252 PolarHBondContact O-N 3.07Å; D250-L252 PolarHBondContact O-N 3.49Å; D250-L252 VanDerWaalsContact O-N 3.13Å; L252-W254 HydrophobicContact CD2-CH2 4.46Å; L252-W254 HydrophobicContact CD2-CZ2 3.45Å; L252-W254 VanDerWaalsContact CD2-CZ2 3.45Å; L252-W254 PolarHBondContact O-N 2.82Å; L252-L255 HydrophobicContact CB-CB 4.39Å; L252-L255 WeakPolarHBondContact O-CA 3.24Å; L252-L255 VanDerWaalsContact O-CB 3.24Å; L252-L255 WeakPolarHBondContact O-CB 3.14Å; L252-L255 PolarHBondContact O-N 3.29Å; L252-W256 HydrophobicContact CB-CH2 4.12Å; L252-W256 HydrophobicContact CB-CZ2 3.55Å; L252-W256 HydrophobicContact CD1-CH2 4.23Å; L252-W256 HydrophobicContact CD1-CZ2 4.24Å; L252-W256 PolarHBondContact O-N 2.81Å
253	F	98.1	Very high	98	Very high	79 Å²	79	38.2 Å²	38.2	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-49.8	-34.4	176.2	180	-97.8	0	0	0	114.3	D250 L255 W256 N257 Q296	D250-F253 PolarHBondContact O-N 3.5Å; D250-F253 VanDerWaalsContact O-N 3.1Å; F253-L255 PolarHBondContact O-N 2.91Å; F253-W256 VanDerWaalsContact CA-CD1 3.5Å; F253-W256 PolarHBondContact O-N 2.99Å; F253-N257 HydrophobicContact CD1-CB 4.39Å; F253-N257 HydrophobicContact CE1-CB 3.88Å; F253-N257 HydrophobicContact CZ-CB 4.04Å; F253-N257 WeakPolarHBondContact O-CB 3.46Å; F253-N257 PolarHBondContact O-N 3.39Å; F253-Q296 HydrophobicContact CD2-CB 4.09Å; F253-Q296 HydrophobicContact CE2-CB 3.97Å
254	W	97.9	Very high	98	Very high	30 Å²	30	32.1 Å²	32.1	11%	0.114	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-27.7	175.3	62.5	-94.1	0	0	0	113.9	P154 R199 M202 E203 E251 L252 A258	P154-W254 HydrophobicContact CB-CH2 4.1Å; P154-W254 HydrophobicContact CB-CZ2 3.93Å; P154-W254 HydrophobicContact CG-CH2 4.5Å; P154-W254 HydrophobicContact CG-CZ2 4.38Å; R199-W254 HydrophobicContact CB-CD2 4.44Å; R199-W254 HydrophobicContact CB-CH2 4.02Å; R199-W254 HydrophobicContact CB-CZ2 3.9Å; R199-W254 HydrophobicContact CB-CZ3 4.31Å; R199-W254 HydrophobicContact CG-CD2 3.66Å; R199-W254 HydrophobicContact CG-CE3 3.7Å; R199-W254 HydrophobicContact CG-CG 4.29Å; R199-W254 HydrophobicContact CG-CH2 4.1Å; R199-W254 HydrophobicContact CG-CZ2 4.03Å; R199-W254 HydrophobicContact CG-CZ3 3.92Å; M202-W254 HydrophobicContact CB-CH2 3.99Å; M202-W254 HydrophobicContact CB-CZ3 3.92Å; M202-W254 HydrophobicContact SD-CH2 4.27Å; E203-W254 HydrophobicContact CB-CE3 3.9Å; E203-W254 HydrophobicContact CB-CZ3 4.01Å; E203-W254 HydrophobicContact CG-CE3 4.12Å; E251-W254 PolarHBondContact O-NE1 2.79Å; L252-W254 HydrophobicContact CD2-CH2 4.46Å; L252-W254 HydrophobicContact CD2-CZ2 3.45Å; L252-W254 VanDerWaalsContact CD2-CZ2 3.45Å; L252-W254 PolarHBondContact O-N 2.82Å; W254-A258 VanDerWaalsContact O-CB 3.29Å; W254-A258 WeakPolarHBondContact O-CB 3.33Å; W254-A258 PolarHBondContact O-N 2.98Å
255	L	98.5	Very high	98	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-75.9	-46.8	177.3	-171.3	65.5	0	0	0	109.4	M202 Q206 F220 F223 L252 F253 A258 S259	M202-L255 HydrophobicContact CB-CD1 4.12Å; M202-L255 HydrophobicContact CE-CD1 3.9Å; M202-L255 HydrophobicContact CE-CD2 4.15Å; Q206-L255 PolarHBondContact NE2-O 2.83Å; F220-L255 HydrophobicContact CD2-CD1 3.79Å; F220-L255 HydrophobicContact CE2-CD1 3.94Å; F223-L255 HydrophobicContact CB-CD2 4.47Å; F223-L255 HydrophobicContact CD1-CD2 3.63Å; F223-L255 HydrophobicContact CE1-CD2 4.03Å; F223-L255 HydrophobicContact CG-CD2 4.1Å; L252-L255 HydrophobicContact CB-CB 4.39Å; L252-L255 WeakPolarHBondContact O-CA 3.24Å; L252-L255 VanDerWaalsContact O-CB 3.24Å; L252-L255 WeakPolarHBondContact O-CB 3.14Å; L252-L255 PolarHBondContact O-N 3.29Å; F253-L255 PolarHBondContact O-N 2.91Å; L255-A258 CarbonylContact O-C 3.54Å; L255-A258 PolarHBondContact O-N 2.84Å; L255-A258 VanDerWaalsContact O-N 3.07Å; L255-S259 PolarHBondContact O-N 3.12Å; L255-S259 PolarHBondContact O-OG 3.23Å; L255-S259 VanDerWaalsContact O-OG 3.06Å
256	W	98	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-47.9	177.6	-39.1	145.7	0	0	0	111.1	F223 P224 N249 L252 F253 A258 S259 L262 V293 V297 L302	F223-W256 HydrophobicContact CB-CH2 4.38Å; F223-W256 HydrophobicContact CB-CZ3 4.05Å; F223-W256 HydrophobicContact CD1-CH2 4.21Å; F223-W256 HydrophobicContact CD1-CZ3 4.46Å; P224-W256 HydrophobicContact CB-CH2 3.74Å; P224-W256 HydrophobicContact CB-CZ2 4.06Å; P224-W256 HydrophobicContact CB-CZ3 4.47Å; N249-W256 HydrophobicContact CB-CZ2 4.16Å; N249-W256 WeakPolarHBondContact O-CZ2 3.48Å; N249-W256 PolarHBondContact O-NE1 2.9Å; L252-W256 HydrophobicContact CB-CH2 4.12Å; L252-W256 HydrophobicContact CB-CZ2 3.55Å; L252-W256 HydrophobicContact CD1-CH2 4.23Å; L252-W256 HydrophobicContact CD1-CZ2 4.24Å; L252-W256 PolarHBondContact O-N 2.81Å; F253-W256 VanDerWaalsContact CA-CD1 3.5Å; F253-W256 PolarHBondContact O-N 2.99Å; W256-A258 PolarHBondContact O-N 2.95Å; W256-A258 VanDerWaalsContact O-N 3.16Å; W256-S259 PolarHBondContact O-N 2.94Å; W256-L262 HydrophobicContact CE3-CD2 3.79Å; W256-L262 HydrophobicContact CZ3-CD2 4.26Å; W256-V293 HydrophobicContact CD2-CB 4.29Å; W256-V293 HydrophobicContact CD2-CG2 4.02Å; W256-V293 HydrophobicContact CE3-CG2 4.47Å; W256-V293 HydrophobicContact CG-CB 4.21Å; W256-V293 HydrophobicContact CG-CG2 4.32Å; W256-V293 HydrophobicContact CZ2-CG2 4.3Å; W256-V297 HydrophobicContact CB-CG2 3.74Å; W256-L302 HydrophobicContact CB-CD1 4.5Å
257	N	97.1	Very high	98.1	Very high	93 Å²	93	27.9 Å²	27.9	50%	0.497	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.4	177	-165.8	105.1	0	0	0	113.3	F253	F253-N257 HydrophobicContact CD1-CB 4.39Å; F253-N257 HydrophobicContact CE1-CB 3.88Å; F253-N257 HydrophobicContact CZ-CB 4.04Å; F253-N257 WeakPolarHBondContact O-CB 3.46Å; F253-N257 PolarHBondContact O-N 3.39Å
258	A	97.1	Very high	98.1	Very high	5 Å²	5	24.2 Å²	24.2	4%	0.041	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-3.9	172.9	0	0	0	0	0	113.3	E203 Q206 Q210 W254 L255 W256	E203-A258 HydrophobicContact CG-CB 3.84Å; Q206-A258 WeakPolarHBondContact CB-O 3.48Å; Q206-A258 PolarHBondContact NE2-O 2.87Å; Q210-A258 PolarHBondContact NE2-O 2.77Å; W254-A258 VanDerWaalsContact O-CB 3.29Å; W254-A258 WeakPolarHBondContact O-CB 3.33Å; W254-A258 PolarHBondContact O-N 2.98Å; L255-A258 CarbonylContact O-C 3.54Å; L255-A258 PolarHBondContact O-N 2.84Å; L255-A258 VanDerWaalsContact O-N 3.07Å; W256-A258 PolarHBondContact O-N 2.95Å; W256-A258 VanDerWaalsContact O-N 3.16Å
259	S	97.9	Very high	98	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.063	12%	0.122	C	C	.	.			trans	-92.1	166.3	173.7	-62.6	0	0	0	0	111.7	Q206 Q210 L255 W256	Q206-S259 PolarHBondContact NE2-OG 3.45Å; Q206-S259 PolarHBondContact OE1-OG 2.8Å; Q210-S259 PolarHBondContact NE2-O 2.98Å; L255-S259 PolarHBondContact O-N 3.12Å; L255-S259 PolarHBondContact O-OG 3.23Å; L255-S259 VanDerWaalsContact O-OG 3.06Å; W256-S259 PolarHBondContact O-N 2.94Å
260	S	96.9	Very high	97.8	Very high	23 Å²	23	26.9 Å²	26.9	16%	0.161	14%	0.138	C	C	.	.	S	Bend	trans	-127.4	-5	168	34.7	0	0	0	0	112.4	Q210 G216 W218 P303	Q210-S260 PolarHBondContact NE2-OG 3.41Å; G216-S260 PolarHBondContact O-OG 3.49Å; W218-S260 PolarHBondContact N-OG 2.79Å; W218-S260 PolarHBondContact O-N 2.78Å; W218-S260 PolarHBondContact O-OG 2.95Å; S260-P303 WeakPolarHBondContact O-CD 3.16Å; S260-P303 WeakPolarHBondContact O-CG 3.5Å
261	A	97.9	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-150.3	162.1	162.1	0	0	0	0	0	110.8	L217 W218 Y263 P303 F305	L217-A261 HydrophobicContact CB-CB 3.88Å; L217-A261 HydrophobicContact CD2-CB 4.38Å; W218-A261 PolarHBondContact O-N 3.3Å; A261-Y263 HydrophobicContact CB-CE2 3.75Å; A261-Y263 WeakPolarHBondContact CB-OH 3.37Å; A261-P303 VanDerWaalsContact CA-O 3.31Å; A261-P303 WeakPolarHBondContact CA-O 3.39Å; A261-P303 HydrophobicContact CB-CG 4.08Å; A261-F305 HydrophobicContact CB-CD2 4.2Å; A261-F305 HydrophobicContact CB-CE2 4.44Å
262	L	98.8	Very high	97.4	Very high	3 Å²	3	24 Å²	24	2%	0.016	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-115.5	142.5	173.5	-59.3	179.5	0	0	0	111.6	W256 A290 V293 A294 L302 P303 V304 F305	W256-L262 HydrophobicContact CE3-CD2 3.79Å; W256-L262 HydrophobicContact CZ3-CD2 4.26Å; L262-A290 WeakPolarHBondContact CD1-O 3.38Å; L262-V293 HydrophobicContact CD1-CG2 3.62Å; L262-A294 HydrophobicContact CD1-CB 3.87Å; L262-L302 HydrophobicContact CD1-CD1 4.11Å; L262-L302 HydrophobicContact CD2-CD1 3.66Å; L262-L302 HydrophobicContact CG-CB 4.25Å; L262-L302 HydrophobicContact CG-CD1 3.67Å; L262-P303 PolarHBondContact N-O 3.05Å; L262-V304 HydrophobicContact CB-CG2 4.36Å; L262-V304 HydrophobicContact CD1-CG2 4.41Å; L262-F305 PolarHBondContact O-N 2.67Å
263	Y	98.9	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-130.1	62.7	-171.8	-62.2	-73.4	0	0	0	111.9	L144 V146 L217 G222 F223 A261 F305 Y307	L144-Y263 HydrophobicContact CB-CE1 4.32Å; L144-Y263 WeakPolarHBondContact CB-OH 3.37Å; L144-Y263 HydrophobicContact CD1-CE1 4.2Å; L144-Y263 HydrophobicContact CD2-CE1 4.1Å; L144-Y263 VanDerWaalsContact CD2-OH 3.28Å; L144-Y263 WeakPolarHBondContact CD2-OH 3.49Å; L144-Y263 HydrophobicContact CG-CE1 4.44Å; V146-Y263 HydrophobicContact CG1-CD2 4.31Å; V146-Y263 HydrophobicContact CG1-CG 4.31Å; V146-Y263 HydrophobicContact CG2-CD1 4.06Å; V146-Y263 HydrophobicContact CG2-CD2 4.15Å; V146-Y263 HydrophobicContact CG2-CE1 3.79Å; V146-Y263 HydrophobicContact CG2-CE2 3.9Å; V146-Y263 HydrophobicContact CG2-CG 4.24Å; L217-Y263 PolarHBondContact O-OH 3Å; G222-Y263 PolarHBondContact N-O 3.39Å; F223-Y263 PolarHBondContact N-O 3.02Å; F223-Y263 CarbonylContact O-C 3.57Å; F223-Y263 PolarHBondContact O-N 3.32Å; A261-Y263 HydrophobicContact CB-CE2 3.75Å; A261-Y263 WeakPolarHBondContact CB-OH 3.37Å; Y263-F305 HydrophobicContact CD1-CB 3.83Å; Y263-F305 WeakPolarHBondContact CD1-O 3.26Å; Y263-F305 HydrophobicContact CE1-CB 3.67Å; Y263-F305 HydrophobicContact CE1-CD2 4.17Å; Y263-F305 HydrophobicContact CE1-CG 4.21Å; Y263-Y307 AromaticContact CD1-CD2 3.96Å; Y263-Y307 HydrophobicContact CD1-CD2 3.96Å; Y263-Y307 AromaticContact CD1-CE2 3.67Å; Y263-Y307 HydrophobicContact CD1-CE2 3.67Å; Y263-Y307 HydrophobicContact CE1-CE2 4.45Å; Y263-Y307 HydrophobicContact CG-CD2 4.36Å; Y263-Y307 HydrophobicContact CG-CE2 4.15Å
264	P	98.8	Very high	97.1	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.165	C	C	.	.			trans	-65.6	137.1	176	32.1	-38.2	0	0	0	110.1	A290 V304 P306 Y307	P264-A290 HydrophobicContact CB-CB 4.07Å; P264-A290 HydrophobicContact CG-CB 3.58Å; P264-V304 HydrophobicContact CG-CG1 4.03Å; P264-P306 HydrophobicContact CG-CB 4.11Å; P264-P306 HydrophobicContact CG-CG 4.13Å; P264-P306 CarbonylContact O-C 3.53Å; P264-P306 VanDerWaalsContact O-CA 3.29Å; P264-P306 WeakPolarHBondContact O-CA 3.44Å; P264-Y307 PolarHBondContact O-N 3.16Å
265	D	97.6	Very high	97	Very high	14 Å²	14	29.8 Å²	29.8	8%	0.075	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-74.9	140	168.5	68.7	100.2	0	0	0	110.3	Y221 N225 R286	Y221-D265 HydrophobicContact CE2-CB 4.08Å; N225-D265 PolarHBondContact ND2-OD2 2.78Å; D265-R286 PolarHBondContact O-NE 3.12Å; D265-R286 PolarHBondContact O-NH2 3.27Å; D265-R286 IonicContact OD1-CZ 3.33Å; D265-R286 IonicContact OD1-NE 3.76Å; D265-R286 IonicContact OD1-NH2 2.71Å; D265-R286 PolarHBondContact OD1-NH2 3.3Å; D265-R286 IonicContact OD2-CZ 3.8Å; D265-R286 IonicContact OD2-NH2 2.85Å; D265-R286 PolarHBondContact OD2-NH2 2.97Å
266	I	98.6	Very high	96.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.179	C	C	.	.			trans	-128.5	33.5	170.6	59.5	169.1	0	0	0	111.1	L268 R286 I287 P306 Y307 A308 T327	I266-L268 PolarHBondContact O-N 2.82Å; I266-R286 HydrophobicContact CG2-CB 3.75Å; I266-I287 HydrophobicContact CD1-CD1 4.44Å; I266-I287 HydrophobicContact CG2-CG1 4.22Å; I266-P306 HydrophobicContact CD1-CB 3.72Å; I266-P306 HydrophobicContact CG1-CB 3.92Å; I266-P306 HydrophobicContact CG2-CB 4.2Å; I266-Y307 WeakPolarHBondContact CG1-O 3.47Å; I266-Y307 PolarHBondContact N-O 3.08Å; I266-A308 HydrophobicContact CD1-CB 4.21Å; I266-A308 HydrophobicContact CG1-CB 4.02Å; I266-T327 HydrophobicContact CD1-CG2 4.32Å
267	Y	98.4	Very high	96.8	Very high	23 Å²	23	37.1 Å²	37.1	9%	0.09	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-66.7	126.9	-177.6	-67.7	-2.8	0	0	0	111.9	Y221 Y282 Y307 R309 W342	Y221-Y267 HydrophobicContact CE2-CE2 4.33Å; Y221-Y267 AromaticContact CE2-CZ 3.95Å; Y221-Y267 WeakPolarHBondContact OH-CE2 3.44Å; Y267-Y282 WeakPolarHBondContact O-CE1 3.18Å; Y267-Y282 PolarHBondContact O-OH 3.14Å; Y267-Y307 VanDerWaalsContact CD1-O 3.22Å; Y267-Y307 WeakPolarHBondContact CD1-O 3.28Å; Y267-Y307 HydrophobicContact CE1-CD1 4.49Å; Y267-Y307 WeakPolarHBondContact CE1-O 3.49Å; Y267-Y307 WeakPolarHBondContact OH-CD1 3.43Å; Y267-R309 HydrophobicContact CD1-CG 3.38Å; Y267-R309 HydrophobicContact CD2-CG 4.2Å; Y267-R309 HydrophobicContact CE1-CG 3.68Å; Y267-R309 HydrophobicContact CE2-CG 4.48Å; Y267-R309 HydrophobicContact CG-CG 3.67Å; Y267-W342 HydrophobicContact CE1-CB 4.45Å; Y267-W342 WeakPolarHBondContact OH-CB 3.34Å
268	L	98.3	Very high	96.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-81.5	130.4	175.9	-51.2	-173.9	0	0	0	110.3	I266 L272 V279 Y282 Y312 T313 L319 H323 T327	I266-L268 PolarHBondContact O-N 2.82Å; L268-L272 HydrophobicContact CB-CB 4.43Å; L268-L272 HydrophobicContact CB-CD1 4.4Å; L268-L272 HydrophobicContact CD2-CD1 4.17Å; L268-V279 HydrophobicContact CD1-CG1 3.6Å; L268-V279 HydrophobicContact CD2-CG1 3.88Å; L268-V279 HydrophobicContact CG-CG1 4.42Å; L268-Y282 HydrophobicContact CD2-CD1 3.74Å; L268-Y282 HydrophobicContact CD2-CE1 3.94Å; L268-Y312 HydrophobicContact CB-CD1 4.04Å; L268-Y312 HydrophobicContact CB-CE1 4.46Å; L268-T313 WeakPolarHBondContact O-CB 3.22Å; L268-T313 PolarHBondContact O-N 3.47Å; L268-T313 PolarHBondContact O-OG1 3.04Å; L268-L319 HydrophobicContact CB-CD2 4.46Å; L268-L319 HydrophobicContact CD1-CD1 4.02Å; L268-L319 HydrophobicContact CD1-CD2 4.02Å; L268-H323 HydrophobicContact CD1-CB 3.92Å; L268-T327 HydrophobicContact CD1-CG2 4.2Å; L268-T327 HydrophobicContact CD2-CG2 4.13Å; L268-T327 HydrophobicContact CG-CG2 4.23Å
269	S	95.8	Very high	96.8	Very high	36 Å²	36	34.9 Å²	34.9	25%	0.252	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-74.6	166.5	168.4	69.4	0	0	0	0	110.9	D271 L272 Y312	S269-D271 PolarHBondContact O-N 2.82Å; S269-D271 PolarHBondContact OG-OD2 3.44Å; S269-L272 PolarHBondContact O-N 2.81Å; S269-Y312 WeakPolarHBondContact O-CD1 3.31Å
270	L	94.3	Very high	96.8	Very high	67 Å²	67	36.6 Å²	36.6	35%	0.351	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26	175.3	-173.9	57.3	0	0	0	112.5	L272 R273 Y312 T315	L270-L272 PolarHBondContact O-N 3.44Å; L270-R273 HydrophobicContact CD1-CB 4.27Å; L270-R273 WeakPolarHBondContact O-CB 3.27Å; L270-R273 PolarHBondContact O-N 2.95Å; L270-R273 VanDerWaalsContact O-N 3.12Å; L270-Y312 HydrophobicContact CD1-CG 4.49Å; L270-T315 HydrophobicContact CB-CG2 4.44Å; L270-T315 HydrophobicContact CD1-CG2 4.15Å; L270-T315 HydrophobicContact CD2-CG2 4.08Å; L270-T315 HydrophobicContact CG-CG2 4.46Å
271	D	93.5	Very high	96.9	Very high	109 Å²	109	37.2 Å²	37.2	58%	0.583	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-70.3	-17.3	177.9	-40.1	-65.7	0	0	0	113.1	S269	S269-D271 PolarHBondContact O-N 2.82Å; S269-D271 PolarHBondContact OG-OD2 3.44Å
272	L	95.5	Very high	96.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.4	-7.1	173.8	-78.5	165.6	0	0	0	112.7	Y230 L268 S269 L270 G274 L275 E278 V279 Y282 H323	Y230-L272 HydrophobicContact CD1-CD2 3.79Å; Y230-L272 HydrophobicContact CD1-CG 4.16Å; Y230-L272 HydrophobicContact CG-CD2 3.82Å; L268-L272 HydrophobicContact CB-CB 4.43Å; L268-L272 HydrophobicContact CB-CD1 4.4Å; L268-L272 HydrophobicContact CD2-CD1 4.17Å; S269-L272 PolarHBondContact O-N 2.81Å; L270-L272 PolarHBondContact O-N 3.44Å; L272-G274 PolarHBondContact O-N 3.04Å; L272-L275 HydrophobicContact CD2-CD1 4.41Å; L272-L275 PolarHBondContact O-N 3.46Å; L272-E278 HydrophobicContact CD2-CB 4.39Å; L272-V279 HydrophobicContact CB-CG2 4.05Å; L272-V279 HydrophobicContact CD2-CG2 3.93Å; L272-V279 WeakPolarHBondContact O-CG2 3.5Å; L272-Y282 HydrophobicContact CD1-CD1 4.13Å; L272-Y282 HydrophobicContact CD1-CE1 4.45Å; L272-Y282 HydrophobicContact CD1-CG 4.22Å; L272-H323 PolarHBondContact O-CE1 3.4Å
273	R	95.1	Very high	96.9	Very high	117 Å²	117	37.4 Å²	37.4	44%	0.442	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	129.6	178.9	176.3	178.4	59.5	171.5	-9.4	111.7	L270 L275 Y312 E317	L270-R273 HydrophobicContact CD1-CB 4.27Å; L270-R273 WeakPolarHBondContact O-CB 3.27Å; L270-R273 PolarHBondContact O-N 2.95Å; L270-R273 VanDerWaalsContact O-N 3.12Å; R273-L275 PolarHBondContact O-N 2.65Å; R273-Y312 HydrophobicContact CB-CD1 4.24Å; R273-Y312 HydrophobicContact CB-CE1 3.76Å; R273-Y312 HydrophobicContact CB-CE2 4.1Å; R273-Y312 HydrophobicContact CG-CE1 4.35Å; R273-Y312 HydrophobicContact CG-CE2 3.91Å; R273-E317 VanDerWaalsContact CD-CD 3.43Å; R273-E317 WeakPolarHBondContact CD-OE1 3.39Å; R273-E317 IonicContact CZ-OE1 3.93Å; R273-E317 IonicContact CZ-OE2 3.17Å; R273-E317 IonicContact NE-OE1 2.73Å; R273-E317 IonicContact NE-OE2 2.69Å; R273-E317 IonicContact NH1-OE1 2.62Å; R273-E317 PolarHBondContact NH1-OE1 3.25Å; R273-E317 IonicContact NH1-OE2 2.75Å; R273-E317 PolarHBondContact NH1-OE2 2.93Å
274	G	93.6	Very high	96.9	Very high	71 Å²	71	38.2 Å²	38.2	73%	0.732	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	0.2	177.7	0	0	0	0	0	114.8	L272	L272-G274 PolarHBondContact O-N 3.04Å
275	L	96.1	Very high	96.9	Very high	46 Å²	46	39.7 Å²	39.7	24%	0.241	21%	0.214	C	C	.	.			trans	-84	152.7	165.8	-55	-174.9	0	0	0	109.8	Y230 L272 R273 E278 V279 H323	Y230-L275 HydrophobicContact CD1-CD1 4.03Å; Y230-L275 HydrophobicContact CE1-CD1 3.31Å; Y230-L275 HydrophobicContact CE2-CD1 4.22Å; Y230-L275 VanDerWaalsContact CZ-CD1 3.43Å; L272-L275 HydrophobicContact CD2-CD1 4.41Å; L272-L275 PolarHBondContact O-N 3.46Å; R273-L275 PolarHBondContact O-N 2.65Å; L275-E278 HydrophobicContact CB-CB 4.21Å; L275-E278 HydrophobicContact CD1-CB 4.12Å; L275-E278 HydrophobicContact CD1-CG 4.31Å; L275-V279 HydrophobicContact CB-CG2 4.22Å; L275-V279 WeakPolarHBondContact O-CG2 3.4Å; L275-H323 PolarHBondContact O-NE2 2.68Å
276	G	96.2	Very high	97	Very high	16 Å²	16	39.2 Å²	39.2	17%	0.165	21%	0.211	C	C	.	.	S	Bend	trans	-111.2	-80.1	-178	0	0	0	0	0	111.5	E278 V279 L280 Y326	G276-E278 PolarHBondContact O-N 2.75Å; G276-V279 WeakPolarHBondContact O-CB 3.44Å; G276-V279 PolarHBondContact O-N 2.94Å; G276-V279 VanDerWaalsContact O-N 3.09Å; G276-L280 PolarHBondContact O-N 3.14Å; G276-Y326 WeakPolarHBondContact O-CD2 3.4Å; G276-Y326 VanDerWaalsContact O-CE2 3.26Å; G276-Y326 WeakPolarHBondContact O-CE2 3.32Å
277	K	95.7	Very high	97	Very high	139 Å²	139	39.2 Å²	39.2	60%	0.604	21%	0.211	S	C	*	.	H	α-helix	trans	-54.9	-37.4	-177.7	178.8	-177.6	172.5	-172.8	0	113	V279 L280 L281	K277-V279 VanDerWaalsContact C-N 3.33Å; K277-L280 PolarHBondContact O-N 3.09Å; K277-L281 HydrophobicContact CD-CD1 4.42Å; K277-L281 HydrophobicContact CG-CD1 3.85Å; K277-L281 HydrophobicContact CG-CG 4.27Å; K277-L281 WeakPolarHBondContact O-CB 3.47Å; K277-L281 VanDerWaalsContact O-CG 3.26Å; K277-L281 WeakPolarHBondContact O-CG 3.4Å; K277-L281 PolarHBondContact O-N 3.18Å
278	E	97.3	Very high	97	Very high	52 Å²	52	39.9 Å²	39.9	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-37.9	-178	-64.8	60	-133.2	0	0	110.8	Y230 Y237 L272 L275 G276 Y282	Y230-E278 HydrophobicContact CD2-CB 4.22Å; Y230-E278 HydrophobicContact CD2-CG 4.24Å; Y230-E278 HydrophobicContact CE2-CB 4.24Å; Y230-E278 HydrophobicContact CE2-CG 3.85Å; Y237-E278 HydrophobicContact CD1-CB 4.2Å; Y237-E278 HydrophobicContact CD1-CG 4.28Å; Y237-E278 HydrophobicContact CE1-CB 4.49Å; Y237-E278 WeakPolarHBondContact CE1-O 3.48Å; L272-E278 HydrophobicContact CD2-CB 4.39Å; L275-E278 HydrophobicContact CB-CB 4.21Å; L275-E278 HydrophobicContact CD1-CB 4.12Å; L275-E278 HydrophobicContact CD1-CG 4.31Å; G276-E278 PolarHBondContact O-N 2.75Å; E278-Y282 VanDerWaalsContact O-CB 3.27Å; E278-Y282 WeakPolarHBondContact O-CB 3.06Å; E278-Y282 PolarHBondContact O-N 2.86Å
279	V	98.1	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.6	-46.2	176	177.3	0	0	0	0	110.9	L268 L272 L275 G276 K277 Y282 A283 Y326	L268-V279 HydrophobicContact CD1-CG1 3.6Å; L268-V279 HydrophobicContact CD2-CG1 3.88Å; L268-V279 HydrophobicContact CG-CG1 4.42Å; L272-V279 HydrophobicContact CB-CG2 4.05Å; L272-V279 HydrophobicContact CD2-CG2 3.93Å; L272-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 HydrophobicContact CB-CG2 4.22Å; L275-V279 WeakPolarHBondContact O-CG2 3.4Å; G276-V279 WeakPolarHBondContact O-CB 3.44Å; G276-V279 PolarHBondContact O-N 2.94Å; G276-V279 VanDerWaalsContact O-N 3.09Å; K277-V279 VanDerWaalsContact C-N 3.33Å; V279-Y282 PolarHBondContact O-N 3.33Å; V279-A283 PolarHBondContact O-N 3.46Å; V279-Y326 HydrophobicContact CB-CD2 4.09Å; V279-Y326 HydrophobicContact CG1-CD2 4.09Å
280	L	98.2	Very high	97.2	Very high	44 Å²	44	38.2 Å²	38.2	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-51.3	173.8	176.7	55.6	0	0	0	111.1	G276 K277 Y282 A283 H284 Y326 E330 Y400	G276-L280 PolarHBondContact O-N 3.14Å; K277-L280 PolarHBondContact O-N 3.09Å; L280-Y282 VanDerWaalsContact C-N 3.31Å; L280-Y282 PolarHBondContact O-N 3.12Å; L280-A283 PolarHBondContact O-N 2.7Å; L280-H284 WeakPolarHBondContact O-CB 3.47Å; L280-H284 PolarHBondContact O-N 2.67Å; L280-Y326 HydrophobicContact CB-CD1 3.86Å; L280-Y326 HydrophobicContact CB-CD2 4.01Å; L280-Y326 HydrophobicContact CB-CE1 4.17Å; L280-Y326 HydrophobicContact CB-CE2 4.29Å; L280-Y326 HydrophobicContact CB-CG 3.78Å; L280-Y326 HydrophobicContact CD1-CD1 3.88Å; L280-Y326 HydrophobicContact CD1-CG 4.32Å; L280-Y326 HydrophobicContact CD2-CD1 4.25Å; L280-Y326 HydrophobicContact CD2-CE1 4.06Å; L280-Y326 HydrophobicContact CG-CD1 4.2Å; L280-Y326 HydrophobicContact CG-CE1 4.48Å; L280-E330 HydrophobicContact CD1-CG 4.05Å; L280-Y400 WeakPolarHBondContact CD1-OH 3.31Å
281	L	98.2	Very high	97.3	Very high	36 Å²	36	35.3 Å²	35.3	19%	0.188	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-35.3	-179.4	-70.5	175.3	0	0	0	112.8	Y237 G239 K277 H285	Y237-L281 HydrophobicContact CE1-CB 4.17Å; G239-L281 WeakPolarHBondContact CA-O 3.43Å; K277-L281 HydrophobicContact CD-CD1 4.42Å; K277-L281 HydrophobicContact CG-CD1 3.85Å; K277-L281 HydrophobicContact CG-CG 4.27Å; K277-L281 WeakPolarHBondContact O-CB 3.47Å; K277-L281 VanDerWaalsContact O-CG 3.26Å; K277-L281 WeakPolarHBondContact O-CG 3.4Å; K277-L281 PolarHBondContact O-N 3.18Å; L281-H285 PolarHBondContact O-ND1 2.97Å
282	Y	98.6	Very high	97.6	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-53.9	174.9	171.1	-100.8	0	0	0	111.9	N228 Y229 Y237 Y267 L268 L272 E278 V279 L280 R286	N228-Y282 PolarHBondContact ND2-O 2.73Å; Y229-Y282 HydrophobicContact CD1-CE2 4.37Å; Y237-Y282 WeakPolarHBondContact OH-CA 3.1Å; Y237-Y282 WeakPolarHBondContact OH-CB 3.39Å; Y267-Y282 WeakPolarHBondContact O-CE1 3.18Å; Y267-Y282 PolarHBondContact O-OH 3.14Å; L268-Y282 HydrophobicContact CD2-CD1 3.74Å; L268-Y282 HydrophobicContact CD2-CE1 3.94Å; L272-Y282 HydrophobicContact CD1-CD1 4.13Å; L272-Y282 HydrophobicContact CD1-CE1 4.45Å; L272-Y282 HydrophobicContact CD1-CG 4.22Å; E278-Y282 VanDerWaalsContact O-CB 3.27Å; E278-Y282 WeakPolarHBondContact O-CB 3.06Å; E278-Y282 PolarHBondContact O-N 2.86Å; V279-Y282 PolarHBondContact O-N 3.33Å; L280-Y282 VanDerWaalsContact C-N 3.31Å; L280-Y282 PolarHBondContact O-N 3.12Å; Y282-R286 VanDerWaalsContact CZ-CD 3.41Å; Y282-R286 WeakPolarHBondContact O-CD 3.23Å; Y282-R286 VanDerWaalsContact O-CG 3.24Å; Y282-R286 WeakPolarHBondContact O-CG 3.28Å; Y282-R286 PolarHBondContact OH-NE 3.36Å
283	A	98.6	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.5	-46	-177.5	0	0	0	0	0	112	V279 L280 H285 R286 I287 Y326 T327	V279-A283 PolarHBondContact O-N 3.46Å; L280-A283 PolarHBondContact O-N 2.7Å; A283-H285 PolarHBondContact O-N 2.91Å; A283-R286 PolarHBondContact O-N 2.62Å; A283-R286 VanDerWaalsContact O-N 3.1Å; A283-I287 HydrophobicContact CB-CD1 4.47Å; A283-I287 WeakPolarHBondContact O-CD1 3.4Å; A283-I287 WeakPolarHBondContact O-CG1 3.38Å; A283-I287 PolarHBondContact O-N 3.41Å; A283-Y326 WeakPolarHBondContact CB-O 3.5Å; A283-T327 HydrophobicContact CB-CG2 4.35Å
284	H	98.7	Very high	97.8	Very high	18 Å²	18	28.1 Å²	28.1	8%	0.083	15%	0.153	C	C	.	.	H	α-helix	trans	-48.7	-53	-179.5	173.8	80.2	0	0	0	112.7	L280 R286 I287 L288 E330 L395	L280-H284 WeakPolarHBondContact O-CB 3.47Å; L280-H284 PolarHBondContact O-N 2.67Å; H284-R286 PolarHBondContact O-N 3.06Å; H284-I287 PolarHBondContact O-N 2.92Å; H284-L288 VanDerWaalsContact NE2-CD1 3.26Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.24Å; H284-L288 WeakPolarHBondContact O-CB 3.31Å; H284-L288 WeakPolarHBondContact O-CG 3.2Å; H284-L288 PolarHBondContact O-N 2.98Å; H284-E330 HydrophobicContact CB-CG 4.27Å; H284-E330 IonicContact CE1-OE1 2.68Å; H284-E330 IonicContact CG-OE1 2.65Å; H284-E330 IonicContact ND1-OE1 3.65Å; H284-E330 PolarHBondContact ND1-OE1 3.23Å; H284-L395 PolarHBondContact CE1-O 3.06Å; H284-L395 VanDerWaalsContact CE1-O 3.25Å
285	H	98.8	Very high	97.9	Very high	32 Å²	32	28.2 Å²	28.2	15%	0.148	14%	0.137	C	C	.	.	H	α-helix	trans	-73	-26.3	-176.8	-68.5	97.7	0	0	0	113.6	T238 G239 K240 L281 A283 E289	T238-H285 PolarHBondContact O-CE1 3.43Å; G239-H285 WeakPolarHBondContact O-CB 3.46Å; G239-H285 VanDerWaalsContact O-CG 3.3Å; G239-H285 PolarHBondContact O-ND1 2.6Å; K240-H285 WeakPolarHBondContact CG-NE2 3.29Å; L281-H285 PolarHBondContact O-ND1 2.97Å; A283-H285 PolarHBondContact O-N 2.91Å; H285-E289 WeakPolarHBondContact O-CB 3.34Å; H285-E289 PolarHBondContact O-N 2.96Å
286	R	98.9	Very high	97.8	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-69.8	-41.1	174	-67.5	175.3	82.7	74.5	3	111.2	N225 C226 N228 D265 I266 Y282 A283 H284 A290	N225-R286 PolarHBondContact ND2-NH2 3.12Å; N225-R286 VanDerWaalsContact ND2-NH2 3.12Å; N225-R286 PolarHBondContact OD1-NH1 3.06Å; N225-R286 VanDerWaalsContact OD1-NH1 3.09Å; N225-R286 PolarHBondContact OD1-NH2 3.43Å; N225-R286 VanDerWaalsContact OD1-NH2 3.14Å; C226-R286 HydrophobicContact CB-CB 4.45Å; C226-R286 HydrophobicContact CB-CG 3.71Å; N228-R286 VanDerWaalsContact OD1-CD 3.28Å; N228-R286 WeakPolarHBondContact OD1-CD 3.37Å; N228-R286 VanDerWaalsContact OD1-CG 3.25Å; N228-R286 WeakPolarHBondContact OD1-CG 3.23Å; N228-R286 PolarHBondContact OD1-NH1 3.29Å; D265-R286 PolarHBondContact O-NE 3.12Å; D265-R286 PolarHBondContact O-NH2 3.27Å; D265-R286 IonicContact OD1-CZ 3.33Å; D265-R286 IonicContact OD1-NE 3.76Å; D265-R286 IonicContact OD1-NH2 2.71Å; D265-R286 PolarHBondContact OD1-NH2 3.3Å; D265-R286 IonicContact OD2-CZ 3.8Å; D265-R286 IonicContact OD2-NH2 2.85Å; D265-R286 PolarHBondContact OD2-NH2 2.97Å; I266-R286 HydrophobicContact CG2-CB 3.75Å; Y282-R286 VanDerWaalsContact CZ-CD 3.41Å; Y282-R286 WeakPolarHBondContact O-CD 3.23Å; Y282-R286 VanDerWaalsContact O-CG 3.24Å; Y282-R286 WeakPolarHBondContact O-CG 3.28Å; Y282-R286 PolarHBondContact OH-NE 3.36Å; A283-R286 PolarHBondContact O-N 2.62Å; A283-R286 VanDerWaalsContact O-N 3.1Å; H284-R286 PolarHBondContact O-N 3.06Å; R286-A290 PolarHBondContact O-N 3.03Å
287	I	98.8	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-48.3	173.1	-59.4	156.1	0	0	0	109.8	I266 A283 H284 E289 A290 M291 P306 E330 S331 L334	I266-I287 HydrophobicContact CD1-CD1 4.44Å; I266-I287 HydrophobicContact CG2-CG1 4.22Å; A283-I287 HydrophobicContact CB-CD1 4.47Å; A283-I287 WeakPolarHBondContact O-CD1 3.4Å; A283-I287 WeakPolarHBondContact O-CG1 3.38Å; A283-I287 PolarHBondContact O-N 3.41Å; H284-I287 PolarHBondContact O-N 2.92Å; I287-E289 VanDerWaalsContact C-N 3.31Å; I287-E289 PolarHBondContact O-N 3.01Å; I287-A290 PolarHBondContact O-N 2.93Å; I287-A290 VanDerWaalsContact O-N 3.16Å; I287-M291 HydrophobicContact CG2-CG 4.32Å; I287-M291 WeakPolarHBondContact O-CG 3.43Å; I287-M291 PolarHBondContact O-N 3.26Å; I287-P306 HydrophobicContact CG1-CG 4.14Å; I287-E330 HydrophobicContact CD1-CB 4.19Å; I287-E330 HydrophobicContact CD1-CG 4.04Å; I287-S331 WeakPolarHBondContact CD1-OG 3.29Å; I287-L334 HydrophobicContact CB-CD1 3.76Å; I287-L334 HydrophobicContact CD1-CD1 4.3Å; I287-L334 HydrophobicContact CG2-CB 3.79Å; I287-L334 HydrophobicContact CG2-CD1 3.6Å; I287-L334 HydrophobicContact CG2-CG 4.35Å
288	L	98.6	Very high	97.2	Very high	37 Å²	37	27.1 Å²	27.1	19%	0.194	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-39.3	177.8	-77.5	-168.1	0	0	0	113.2	H284 M291 R292 L334 L395	H284-L288 VanDerWaalsContact NE2-CD1 3.26Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.24Å; H284-L288 WeakPolarHBondContact O-CB 3.31Å; H284-L288 WeakPolarHBondContact O-CG 3.2Å; H284-L288 PolarHBondContact O-N 2.98Å; L288-M291 PolarHBondContact O-N 3.43Å; L288-R292 VanDerWaalsContact O-CB 3.31Å; L288-R292 WeakPolarHBondContact O-CB 3.35Å; L288-R292 PolarHBondContact O-N 2.69Å; L288-L334 HydrophobicContact CD2-CD1 4.08Å; L288-L334 HydrophobicContact CD2-CD2 3.87Å; L288-L334 HydrophobicContact CD2-CG 4.49Å; L288-L334 HydrophobicContact CG-CD1 4.22Å; L288-L395 HydrophobicContact CD2-CB 4.43Å; L288-L395 HydrophobicContact CD2-CD1 3.91Å; L288-L395 HydrophobicContact CD2-CD2 4.12Å; L288-L395 HydrophobicContact CD2-CG 4.38Å
289	E	98.9	Very high	96.4	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-38.5	177.9	177.6	59.2	179.8	0	0	112.2	P224 L246 N249 H285 I287 R292 V293	P224-E289 HydrophobicContact CB-CG 4.21Å; P224-E289 HydrophobicContact CG-CG 4.1Å; L246-E289 WeakPolarHBondContact CD2-OE2 3.42Å; N249-E289 WeakPolarHBondContact CB-OE1 3.37Å; N249-E289 PolarHBondContact ND2-OE1 3.25Å; H285-E289 WeakPolarHBondContact O-CB 3.34Å; H285-E289 PolarHBondContact O-N 2.96Å; I287-E289 VanDerWaalsContact C-N 3.31Å; I287-E289 PolarHBondContact O-N 3.01Å; E289-R292 PolarHBondContact O-N 3.48Å; E289-R292 IonicContact OE1-CZ 2.75Å; E289-R292 IonicContact OE1-NE 2.7Å; E289-R292 IonicContact OE1-NH2 3.68Å; E289-R292 PolarHBondContact OE1-NH2 3.43Å; E289-R292 IonicContact OE2-CZ 3.28Å; E289-R292 IonicContact OE2-NE 3.89Å; E289-R292 PolarHBondContact OE2-NE 3.28Å; E289-R292 IonicContact OE2-NH2 3.67Å; E289-R292 PolarHBondContact OE2-NH2 2.97Å; E289-V293 PolarHBondContact O-N 2.63Å; E289-V293 VanDerWaalsContact O-N 3.09Å
290	A	98.8	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-41.5	173.1	0	0	0	0	0	112.6	P224 L262 P264 R286 I287 A294 V304	P224-A290 HydrophobicContact CG-CB 3.9Å; L262-A290 WeakPolarHBondContact CD1-O 3.38Å; P264-A290 HydrophobicContact CB-CB 4.07Å; P264-A290 HydrophobicContact CG-CB 3.58Å; R286-A290 PolarHBondContact O-N 3.03Å; I287-A290 PolarHBondContact O-N 2.93Å; I287-A290 VanDerWaalsContact O-N 3.16Å; A290-A294 WeakPolarHBondContact O-CB 3.31Å; A290-A294 PolarHBondContact O-N 3.17Å; A290-V304 HydrophobicContact CB-CG1 3.61Å; A290-V304 HydrophobicContact CB-CG2 4.26Å
291	M	98.3	Very high	95.1	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-42.2	172.7	-62.3	-58.4	-69.1	0	0	111.2	I287 L288 V293 A294 D295 V304 L334	I287-M291 HydrophobicContact CG2-CG 4.32Å; I287-M291 WeakPolarHBondContact O-CG 3.43Å; I287-M291 PolarHBondContact O-N 3.26Å; L288-M291 PolarHBondContact O-N 3.43Å; M291-V293 PolarHBondContact O-N 2.94Å; M291-A294 PolarHBondContact O-N 3.37Å; M291-D295 WeakPolarHBondContact O-CB 3.44Å; M291-D295 PolarHBondContact O-N 3.45Å; M291-V304 HydrophobicContact SD-CB 3.85Å; M291-V304 HydrophobicContact SD-CG1 4.49Å; M291-V304 HydrophobicContact SD-CG2 3.56Å; M291-V304 VanDerWaalsContact SD-CG2 3.56Å; M291-L334 WeakPolarHBondContact CE-O 3.49Å
292	R	98.1	Very high	95	Very high	79 Å²	79	35.7 Å²	35.7	30%	0.298	18%	0.179	S	C	.	.	H	α-helix	trans	-59.7	-43.9	179.5	-171.6	-170.7	71.3	85.4	5.8	112.4	L246 D250 L288 E289	L246-R292 PolarHBondContact O-NH2 3.16Å; D250-R292 IonicContact OD1-CZ 3.43Å; D250-R292 VanDerWaalsContact OD1-CZ 3.23Å; D250-R292 IonicContact OD1-NH1 3.68Å; D250-R292 PolarHBondContact OD1-NH1 3.41Å; D250-R292 IonicContact OD1-NH2 2.72Å; D250-R292 PolarHBondContact OD1-NH2 3.34Å; D250-R292 IonicContact OD2-NH1 2.7Å; D250-R292 PolarHBondContact OD2-NH1 2.69Å; D250-R292 IonicContact OD2-NH2 3.59Å; L288-R292 VanDerWaalsContact O-CB 3.31Å; L288-R292 WeakPolarHBondContact O-CB 3.35Å; L288-R292 PolarHBondContact O-N 2.69Å; E289-R292 PolarHBondContact O-N 3.48Å; E289-R292 IonicContact OE1-CZ 2.75Å; E289-R292 IonicContact OE1-NE 2.7Å; E289-R292 IonicContact OE1-NH2 3.68Å; E289-R292 PolarHBondContact OE1-NH2 3.43Å; E289-R292 IonicContact OE2-CZ 3.28Å; E289-R292 IonicContact OE2-NE 3.89Å; E289-R292 PolarHBondContact OE2-NE 3.28Å; E289-R292 IonicContact OE2-NH2 3.67Å; E289-R292 PolarHBondContact OE2-NH2 2.97Å
293	V	98.5	Very high	94.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-82.3	-28	178.8	-53.5	0	0	0	0	112.9	P224 N249 W256 L262 E289 M291 D295 Q296	P224-V293 HydrophobicContact CB-CG2 4.25Å; P224-V293 HydrophobicContact CG-CG2 3.71Å; N249-V293 HydrophobicContact CB-CG1 4.34Å; W256-V293 HydrophobicContact CD2-CB 4.29Å; W256-V293 HydrophobicContact CD2-CG2 4.02Å; W256-V293 HydrophobicContact CE3-CG2 4.47Å; W256-V293 HydrophobicContact CG-CB 4.21Å; W256-V293 HydrophobicContact CG-CG2 4.32Å; W256-V293 HydrophobicContact CZ2-CG2 4.3Å; L262-V293 HydrophobicContact CD1-CG2 3.62Å; E289-V293 PolarHBondContact O-N 2.63Å; E289-V293 VanDerWaalsContact O-N 3.09Å; M291-V293 PolarHBondContact O-N 2.94Å; V293-D295 PolarHBondContact O-N 2.9Å; V293-Q296 WeakPolarHBondContact O-CB 3.47Å; V293-Q296 PolarHBondContact O-N 2.75Å
294	A	97.5	Very high	94.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-36.7	169.1	0	0	0	0	0	112.3	L262 A290 M291 Q296 V297 Q301 L302 V304	L262-A294 HydrophobicContact CD1-CB 3.87Å; A290-A294 WeakPolarHBondContact O-CB 3.31Å; A290-A294 PolarHBondContact O-N 3.17Å; M291-A294 PolarHBondContact O-N 3.37Å; A294-Q296 VanDerWaalsContact C-N 3.27Å; A294-Q296 PolarHBondContact O-N 3.27Å; A294-V297 PolarHBondContact O-N 2.8Å; A294-Q301 WeakPolarHBondContact O-CA 3.33Å; A294-L302 HydrophobicContact CB-CB 3.84Å; A294-L302 PolarHBondContact O-N 3.18Å; A294-V304 HydrophobicContact CB-CG2 3.88Å
295	D	95.4	Very high	94.9	Very high	73 Å²	73	35.5 Å²	35.5	39%	0.39	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.9	-179.5	-70	-5.2	0	0	0	113.7	M291 V293 Q301 R443	M291-D295 WeakPolarHBondContact O-CB 3.44Å; M291-D295 PolarHBondContact O-N 3.45Å; V293-D295 PolarHBondContact O-N 2.9Å; D295-Q301 HydrophobicContact CB-CG 4.48Å; D295-Q301 WeakPolarHBondContact OD1-CG 3.22Å; D295-R443 IonicContact OD1-CZ 3.13Å; D295-R443 IonicContact OD1-NH1 2.78Å; D295-R443 PolarHBondContact OD1-NH1 3.05Å; D295-R443 IonicContact OD1-NH2 4Å; D295-R443 PolarHBondContact OD1-NH2 3.31Å; D295-R443 IonicContact OD2-NH1 3.39Å; D295-R443 PolarHBondContact OD2-NH1 3.02Å
296	Q	94.3	Very high	94.9	Very high	57 Å²	57	34 Å²	34	27%	0.266	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.9	170.4	-59.7	178.6	13.1	0	0	112.3	D250 F253 V293 A294	D250-Q296 PolarHBondContact OD1-NE2 3.32Å; F253-Q296 HydrophobicContact CD2-CB 4.09Å; F253-Q296 HydrophobicContact CE2-CB 3.97Å; V293-Q296 WeakPolarHBondContact O-CB 3.47Å; V293-Q296 PolarHBondContact O-N 2.75Å; A294-Q296 VanDerWaalsContact C-N 3.27Å; A294-Q296 PolarHBondContact O-N 3.27Å
297	V	93.1	Very high	94.9	Very high	14 Å²	14	33.8 Å²	33.8	9%	0.085	17%	0.173	C	C	.	.	S	Bend	trans	-83.5	137	-176	-176.3	0	0	0	0	110.2	W256 A294 W300 L302	W256-V297 HydrophobicContact CB-CG2 3.74Å; A294-V297 PolarHBondContact O-N 2.8Å; V297-W300 CarbonylContact O-C 3.31Å; V297-L302 HydrophobicContact CB-CG 4.11Å; V297-L302 HydrophobicContact CG1-CD2 4.2Å; V297-L302 HydrophobicContact CG1-CG 4.31Å; V297-L302 HydrophobicContact CG2-CD1 3.96Å; V297-L302 HydrophobicContact CG2-CG 3.98Å
298	T	85.3	Confident	94.9	Very high	107 Å²	107	33.9 Å²	33.9	66%	0.656	17%	0.174	S	C	*	.	S	Bend	trans	-134.7	151.7	-175	58.4	0	0	0	0	110.5
299	P	80.5	Confident	94.9	Very high	105 Å²	105	32.8 Å²	32.8	68%	0.682	17%	0.167	S	C	*	.	S	Bend	cis	-78.3	-12.7	4	32.2	-36.4	0	0	0	115
300	W	80.8	Confident	94.8	Very high	107 Å²	107	32.6 Å²	32.6	41%	0.405	17%	0.166	S	C	.	.	S	Bend	trans	-116.4	135.2	-179.8	-48.6	117.5	0	0	0	110.6	V297 P446 A457	V297-W300 CarbonylContact O-C 3.31Å; W300-P446 HydrophobicContact CB-CG 4.29Å; W300-P446 HydrophobicContact CD2-CB 3.82Å; W300-P446 HydrophobicContact CD2-CG 4.46Å; W300-P446 HydrophobicContact CE3-CB 4.19Å; W300-P446 HydrophobicContact CG-CB 3.95Å; W300-P446 HydrophobicContact CG-CG 4.24Å; W300-A457 HydrophobicContact CH2-CB 3.97Å; W300-A457 HydrophobicContact CZ3-CB 4.29Å
301	Q	89	Confident	94.8	Very high	88 Å²	88	32.6 Å²	32.6	41%	0.411	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-72.3	145.1	175.8	-52.4	80.2	5.6	0	0	110.1	A294 D295 R443	A294-Q301 WeakPolarHBondContact O-CA 3.33Å; D295-Q301 HydrophobicContact CB-CG 4.48Å; D295-Q301 WeakPolarHBondContact OD1-CG 3.22Å; Q301-R443 VanDerWaalsContact CB-NH2 3.28Å
302	L	95.1	Very high	94.8	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-67.4	143.7	-178.3	-61.4	179.4	0	0	0	112.2	W256 L262 A294 V297	W256-L302 HydrophobicContact CB-CD1 4.5Å; L262-L302 HydrophobicContact CD1-CD1 4.11Å; L262-L302 HydrophobicContact CD2-CD1 3.66Å; L262-L302 HydrophobicContact CG-CB 4.25Å; L262-L302 HydrophobicContact CG-CD1 3.67Å; A294-L302 HydrophobicContact CB-CB 3.84Å; A294-L302 PolarHBondContact O-N 3.18Å; V297-L302 HydrophobicContact CB-CG 4.11Å; V297-L302 HydrophobicContact CG1-CD2 4.2Å; V297-L302 HydrophobicContact CG1-CG 4.31Å; V297-L302 HydrophobicContact CG2-CD1 3.96Å; V297-L302 HydrophobicContact CG2-CG 3.98Å
303	P	96.9	Very high	94.6	Very high	21 Å²	21	30.1 Å²	30.1	14%	0.136	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-72.4	132.1	164	31.1	-33	0	0	0	110	L217 S260 A261 L262 F305 A337	L217-P303 HydrophobicContact CD2-CG 3.94Å; S260-P303 WeakPolarHBondContact O-CD 3.16Å; S260-P303 WeakPolarHBondContact O-CG 3.5Å; A261-P303 VanDerWaalsContact CA-O 3.31Å; A261-P303 WeakPolarHBondContact CA-O 3.39Å; A261-P303 HydrophobicContact CB-CG 4.08Å; L262-P303 PolarHBondContact N-O 3.05Å; P303-F305 HydrophobicContact CB-CD2 4.46Å; P303-F305 HydrophobicContact CB-CE2 3.82Å; P303-F305 HydrophobicContact CG-CE2 4.23Å; P303-A337 HydrophobicContact CB-CB 3.54Å
304	V	98.6	Very high	94.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-103.7	130.9	179	-178.4	0	0	0	0	109.5	L262 P264 A290 M291 A294 P306 S336 A337 G338	L262-V304 HydrophobicContact CB-CG2 4.36Å; L262-V304 HydrophobicContact CD1-CG2 4.41Å; P264-V304 HydrophobicContact CG-CG1 4.03Å; A290-V304 HydrophobicContact CB-CG1 3.61Å; A290-V304 HydrophobicContact CB-CG2 4.26Å; M291-V304 HydrophobicContact SD-CB 3.85Å; M291-V304 HydrophobicContact SD-CG1 4.49Å; M291-V304 HydrophobicContact SD-CG2 3.56Å; M291-V304 VanDerWaalsContact SD-CG2 3.56Å; A294-V304 HydrophobicContact CB-CG2 3.88Å; V304-P306 HydrophobicContact CG1-CG 4.09Å; V304-S336 CarbonylContact O-C 3.53Å; V304-S336 WeakPolarHBondContact O-CB 3.43Å; V304-A337 PolarHBondContact O-N 3.21Å; V304-G338 PolarHBondContact O-N 3.36Å
305	F	98.7	Very high	94	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.			trans	-128.6	87.6	176.8	-67.8	-90.1	0	0	0	109.6	L52 L144 L217 A261 L262 Y263 P303 Y307 A337 V340	L52-F305 HydrophobicContact CB-CE1 4.43Å; L52-F305 HydrophobicContact CD1-CE1 4.34Å; L144-F305 HydrophobicContact CD2-CD1 4.17Å; L144-F305 HydrophobicContact CD2-CD2 3.89Å; L144-F305 HydrophobicContact CD2-CE1 4.08Å; L144-F305 HydrophobicContact CD2-CE2 3.79Å; L144-F305 HydrophobicContact CD2-CG 4.08Å; L144-F305 HydrophobicContact CD2-CZ 3.89Å; L217-F305 HydrophobicContact CD1-CE2 3.88Å; L217-F305 HydrophobicContact CD1-CZ 4.09Å; A261-F305 HydrophobicContact CB-CD2 4.2Å; A261-F305 HydrophobicContact CB-CE2 4.44Å; L262-F305 PolarHBondContact O-N 2.67Å; Y263-F305 HydrophobicContact CD1-CB 3.83Å; Y263-F305 WeakPolarHBondContact CD1-O 3.26Å; Y263-F305 HydrophobicContact CE1-CB 3.67Å; Y263-F305 HydrophobicContact CE1-CD2 4.17Å; Y263-F305 HydrophobicContact CE1-CG 4.21Å; P303-F305 HydrophobicContact CB-CD2 4.46Å; P303-F305 HydrophobicContact CB-CE2 3.82Å; P303-F305 HydrophobicContact CG-CE2 4.23Å; F305-Y307 PolarHBondContact O-N 3.13Å; F305-A337 HydrophobicContact CD1-CB 4.39Å; F305-A337 HydrophobicContact CD2-CB 4.24Å; F305-A337 HydrophobicContact CE1-CB 3.86Å; F305-A337 HydrophobicContact CE2-CB 3.71Å; F305-A337 HydrophobicContact CZ-CB 3.5Å; F305-A337 VanDerWaalsContact CZ-CB 3.5Å; F305-V340 HydrophobicContact CB-CG2 4.16Å
306	P	98.8	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.			trans	-62.4	133.1	-179.3	-23.8	37	0	0	0	111.8	P264 I266 I287 V304 A308 G338 V339 V340	P264-P306 HydrophobicContact CG-CB 4.11Å; P264-P306 HydrophobicContact CG-CG 4.13Å; P264-P306 CarbonylContact O-C 3.53Å; P264-P306 VanDerWaalsContact O-CA 3.29Å; P264-P306 WeakPolarHBondContact O-CA 3.44Å; I266-P306 HydrophobicContact CD1-CB 3.72Å; I266-P306 HydrophobicContact CG1-CB 3.92Å; I266-P306 HydrophobicContact CG2-CB 4.2Å; I287-P306 HydrophobicContact CG1-CG 4.14Å; V304-P306 HydrophobicContact CG1-CG 4.09Å; P306-A308 PolarHBondContact O-N 3.28Å; P306-G338 WeakPolarHBondContact CD-O 3.41Å; P306-V339 WeakPolarHBondContact O-CA 3.49Å; P306-V340 PolarHBondContact O-N 3.12Å
307	Y	98.8	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	113.4	173.6	-101.4	-101.8	0	0	0	109.1	N56 I92 V146 Y221 Y263 P264 I266 Y267 F305 V340 W342	N56-Y307 PolarHBondContact OD1-OH 2.87Å; I92-Y307 HydrophobicContact CD1-CE1 4.44Å; V146-Y307 HydrophobicContact CG1-CE2 3.96Å; V146-Y307 HydrophobicContact CG2-CE2 4.08Å; Y221-Y307 AromaticContact CD2-CD1 3.85Å; Y221-Y307 HydrophobicContact CD2-CD1 3.85Å; Y221-Y307 HydrophobicContact CD2-CD2 4.04Å; Y221-Y307 HydrophobicContact CD2-CE1 4.3Å; Y221-Y307 HydrophobicContact CD2-CE2 4.46Å; Y221-Y307 AromaticContact CD2-CG 3.71Å; Y221-Y307 HydrophobicContact CD2-CG 3.71Å; Y221-Y307 AromaticContact CE2-CD1 3.93Å; Y221-Y307 HydrophobicContact CE2-CD1 3.93Å; Y221-Y307 AromaticContact CE2-CG 3.91Å; Y221-Y307 HydrophobicContact CE2-CG 3.91Å; Y263-Y307 AromaticContact CD1-CD2 3.96Å; Y263-Y307 HydrophobicContact CD1-CD2 3.96Å; Y263-Y307 AromaticContact CD1-CE2 3.67Å; Y263-Y307 HydrophobicContact CD1-CE2 3.67Å; Y263-Y307 HydrophobicContact CE1-CE2 4.45Å; Y263-Y307 HydrophobicContact CG-CD2 4.36Å; Y263-Y307 HydrophobicContact CG-CE2 4.15Å; P264-Y307 PolarHBondContact O-N 3.16Å; I266-Y307 WeakPolarHBondContact CG1-O 3.47Å; I266-Y307 PolarHBondContact N-O 3.08Å; Y267-Y307 VanDerWaalsContact CD1-O 3.22Å; Y267-Y307 WeakPolarHBondContact CD1-O 3.28Å; Y267-Y307 HydrophobicContact CE1-CD1 4.49Å; Y267-Y307 WeakPolarHBondContact CE1-O 3.49Å; Y267-Y307 WeakPolarHBondContact OH-CD1 3.43Å; F305-Y307 PolarHBondContact O-N 3.13Å; Y307-V340 HydrophobicContact CD1-CB 4.18Å; Y307-V340 HydrophobicContact CD1-CG1 4.24Å; Y307-V340 HydrophobicContact CD2-CB 3.87Å; Y307-V340 HydrophobicContact CD2-CG1 4.48Å; Y307-V340 HydrophobicContact CD2-CG2 3.96Å; Y307-V340 HydrophobicContact CE1-CB 4.08Å; Y307-V340 HydrophobicContact CE1-CG1 3.72Å; Y307-V340 HydrophobicContact CE2-CB 3.78Å; Y307-V340 HydrophobicContact CE2-CG1 4Å; Y307-V340 HydrophobicContact CE2-CG2 3.69Å; Y307-V340 HydrophobicContact CG-CB 4.08Å; Y307-W342 HydrophobicContact CD1-CB 3.8Å; Y307-W342 HydrophobicContact CD1-CG 4.31Å; Y307-W342 HydrophobicContact CE1-CB 3.96Å; Y307-W342 AromaticContact CE1-CD1 3.81Å; Y307-W342 HydrophobicContact CE1-CG 4.19Å
308	A	98.6	Very high	94.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	173.3	178.9	0	0	0	0	0	110.8	I266 P306 L328 V340 L341 W342	I266-A308 HydrophobicContact CD1-CB 4.21Å; I266-A308 HydrophobicContact CG1-CB 4.02Å; P306-A308 PolarHBondContact O-N 3.28Å; A308-L328 HydrophobicContact CB-CD1 4.34Å; A308-V340 PolarHBondContact N-O 3.32Å; A308-L341 HydrophobicContact CB-CD2 4.14Å; A308-W342 PolarHBondContact O-N 3.17Å
309	R	98.3	Very high	95	Very high	14 Å²	14	40.9 Å²	40.9	5%	0.053	19%	0.194	C	C	.	.			trans	-127.4	157.2	175.2	-50.9	-179	69.8	79.3	10	109.2	Y267 V311 T313 L319	Y267-R309 HydrophobicContact CD1-CG 3.38Å; Y267-R309 HydrophobicContact CD2-CG 4.2Å; Y267-R309 HydrophobicContact CE1-CG 3.68Å; Y267-R309 HydrophobicContact CE2-CG 4.48Å; Y267-R309 HydrophobicContact CG-CG 3.67Å; R309-V311 WeakPolarHBondContact CB-O 3.2Å; R309-V311 WeakPolarHBondContact CD-O 3.29Å; R309-V311 PolarHBondContact NE-O 3.21Å; R309-T313 WeakPolarHBondContact CD-OG1 3.45Å; R309-L319 WeakPolarHBondContact O-CD1 3.16Å
310	I	98.2	Very high	95.8	Very high	2 Å²	2	38 Å²	38	1%	0.01	18%	0.177	C	C	.	.	S	Bend	trans	-90	-6.2	166.7	63.9	159.4	0	0	0	113.1	W55 F318 L319 L341 F347 V357 Y360 L365	W55-I310 HydrophobicContact CH2-CD1 3.78Å; W55-I310 HydrophobicContact CZ3-CD1 4.13Å; W55-I310 HydrophobicContact CZ3-CG2 4.28Å; I310-F318 HydrophobicContact CD1-CD1 4.17Å; I310-F318 HydrophobicContact CD1-CE1 3.89Å; I310-F318 HydrophobicContact CG1-CD1 4.44Å; I310-F318 CarbonylContact O-C 3.58Å; I310-F318 VanDerWaalsContact O-CA 3.29Å; I310-F318 WeakPolarHBondContact O-CA 3.28Å; I310-L319 PolarHBondContact O-N 3.47Å; I310-L341 HydrophobicContact CG2-CD1 4.14Å; I310-L341 HydrophobicContact CG2-CD2 4.5Å; I310-F347 HydrophobicContact CD1-CE2 3.83Å; I310-F347 HydrophobicContact CD1-CZ 3.95Å; I310-F347 HydrophobicContact CG1-CE1 4.46Å; I310-F347 HydrophobicContact CG1-CE2 3.71Å; I310-F347 HydrophobicContact CG1-CZ 3.5Å; I310-F347 VanDerWaalsContact CG1-CZ 3.5Å; I310-V357 HydrophobicContact CD1-CG1 4.3Å; I310-Y360 HydrophobicContact CB-CD1 4.28Å; I310-Y360 HydrophobicContact CB-CE1 3.85Å; I310-Y360 HydrophobicContact CD1-CD1 4.23Å; I310-Y360 HydrophobicContact CG2-CE1 4.37Å; I310-L365 HydrophobicContact CG2-CD1 4.22Å; I310-L365 HydrophobicContact CG2-CD2 3.69Å
311	V	98.2	Very high	96.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-132.2	153.8	178.4	-64	0	0	0	0	111.3	R309 T315 E317 F318 F347	R309-V311 WeakPolarHBondContact CB-O 3.2Å; R309-V311 WeakPolarHBondContact CD-O 3.29Å; R309-V311 PolarHBondContact NE-O 3.21Å; V311-T315 WeakPolarHBondContact CG2-O 3.47Å; V311-E317 CarbonylContact C-O 3.58Å; V311-E317 WeakPolarHBondContact CA-O 3.38Å; V311-E317 WeakPolarHBondContact CB-O 3.48Å; V311-F318 HydrophobicContact CG1-CD1 3.48Å; V311-F318 VanDerWaalsContact CG1-CD1 3.48Å; V311-F318 HydrophobicContact CG1-CE1 3.8Å; V311-F318 HydrophobicContact CG1-CG 4.13Å; V311-F347 HydrophobicContact CG1-CE1 4.11Å; V311-F347 HydrophobicContact CG1-CZ 4.46Å; V311-F347 HydrophobicContact CG2-CE1 3.78Å; V311-F347 HydrophobicContact CG2-CZ 4.01Å
312	Y	97.7	Very high	97.1	Very high	8 Å²	8	39.5 Å²	39.5	3%	0.031	19%	0.186	C	C	.	.			trans	-61.1	146.5	170	-56.8	-84.1	0	0	0	110.9	L268 S269 L270 R273 Y314 T315 E317 L319 H323	L268-Y312 HydrophobicContact CB-CD1 4.04Å; L268-Y312 HydrophobicContact CB-CE1 4.46Å; S269-Y312 WeakPolarHBondContact O-CD1 3.31Å; L270-Y312 HydrophobicContact CD1-CG 4.49Å; R273-Y312 HydrophobicContact CB-CD1 4.24Å; R273-Y312 HydrophobicContact CB-CE1 3.76Å; R273-Y312 HydrophobicContact CB-CE2 4.1Å; R273-Y312 HydrophobicContact CG-CE1 4.35Å; R273-Y312 HydrophobicContact CG-CE2 3.91Å; Y312-Y314 PolarHBondContact O-N 3.06Å; Y312-T315 PolarHBondContact O-N 2.79Å; Y312-T315 PolarHBondContact O-OG1 3.19Å; Y312-E317 HydrophobicContact CD2-CB 4.08Å; Y312-E317 HydrophobicContact CD2-CG 3.98Å; Y312-E317 VanDerWaalsContact CD2-O 3.24Å; Y312-E317 WeakPolarHBondContact CD2-O 3.41Å; Y312-E317 HydrophobicContact CE2-CG 4.12Å; Y312-E317 PolarHBondContact N-O 2.79Å; Y312-L319 HydrophobicContact CD1-CD2 3.58Å; Y312-L319 HydrophobicContact CD2-CD2 4Å; Y312-L319 HydrophobicContact CE1-CD2 3.57Å; Y312-L319 HydrophobicContact CE2-CD2 3.98Å; Y312-L319 HydrophobicContact CG-CD2 3.81Å; Y312-H323 AromaticContact CE1-CE1 3.86Å; Y312-H323 AromaticContact CE1-ND1 3.5Å; Y312-H323 AromaticContact CZ-ND1 3.67Å; Y312-H323 PolarHBondContact OH-CE1 3.3Å; Y312-H323 VanDerWaalsContact OH-CE1 3.29Å; Y312-H323 PolarHBondContact OH-ND1 2.88Å; Y312-H323 VanDerWaalsContact OH-ND1 3.12Å
313	T	94	Very high	97.2	Very high	23 Å²	23	39 Å²	39	14%	0.141	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	135.1	-171.6	-51.3	0	0	0	0	111.6	L268 R309 T315	L268-T313 WeakPolarHBondContact O-CB 3.22Å; L268-T313 PolarHBondContact O-N 3.47Å; L268-T313 PolarHBondContact O-OG1 3.04Å; R309-T313 WeakPolarHBondContact CD-OG1 3.45Å; T313-T315 PolarHBondContact O-N 2.87Å
314	Y	89.8	Confident	97.3	Very high	228 Å²	228	38 Å²	38	89%	0.894	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	17	-172.7	-46.5	-61.3	0	0	0	116.1	Y312	Y312-Y314 PolarHBondContact O-N 3.06Å
315	T	94.4	Very high	97.3	Very high	34 Å²	34	39.3 Å²	39.3	21%	0.209	19%	0.185	C	C	.	.	S	Bend	trans	-124.6	175.1	175.9	77.8	0	0	0	0	112.8	L270 V311 Y312 T313 E317	L270-T315 HydrophobicContact CB-CG2 4.44Å; L270-T315 HydrophobicContact CD1-CG2 4.15Å; L270-T315 HydrophobicContact CD2-CG2 4.08Å; L270-T315 HydrophobicContact CG-CG2 4.46Å; V311-T315 WeakPolarHBondContact CG2-O 3.47Å; Y312-T315 PolarHBondContact O-N 2.79Å; Y312-T315 PolarHBondContact O-OG1 3.19Å; T313-T315 PolarHBondContact O-N 2.87Å; T315-E317 PolarHBondContact OG1-N 2.99Å
316	L	94.1	Very high	97.3	Very high	82 Å²	82	41.4 Å²	41.4	43%	0.429	19%	0.193	S	C	.	.			trans	-110.2	23.9	160.9	-72.5	173.6	0	0	0	111.2	A346 F347 T353	L316-A346 HydrophobicContact CD2-CB 3.87Å; L316-A346 HydrophobicContact CG-CB 4.39Å; L316-F347 HydrophobicContact CD2-CD1 3.89Å; L316-F347 HydrophobicContact CD2-CE1 4.21Å; L316-T353 HydrophobicContact CD1-CG2 3.82Å; L316-T353 HydrophobicContact CD2-CG2 4.13Å
317	E	97.2	Very high	97.3	Very high	74 Å²	74	41.5 Å²	41.5	35%	0.346	19%	0.194	S	C	.	.			trans	-90.3	113.8	177.5	-174.5	170.3	-172.3	0	0	109.1	R273 V311 Y312 T315	R273-E317 VanDerWaalsContact CD-CD 3.43Å; R273-E317 WeakPolarHBondContact CD-OE1 3.39Å; R273-E317 IonicContact CZ-OE1 3.93Å; R273-E317 IonicContact CZ-OE2 3.17Å; R273-E317 IonicContact NE-OE1 2.73Å; R273-E317 IonicContact NE-OE2 2.69Å; R273-E317 IonicContact NH1-OE1 2.62Å; R273-E317 PolarHBondContact NH1-OE1 3.25Å; R273-E317 IonicContact NH1-OE2 2.75Å; R273-E317 PolarHBondContact NH1-OE2 2.93Å; V311-E317 CarbonylContact C-O 3.58Å; V311-E317 WeakPolarHBondContact CA-O 3.38Å; V311-E317 WeakPolarHBondContact CB-O 3.48Å; Y312-E317 HydrophobicContact CD2-CB 4.08Å; Y312-E317 HydrophobicContact CD2-CG 3.98Å; Y312-E317 VanDerWaalsContact CD2-O 3.24Å; Y312-E317 WeakPolarHBondContact CD2-O 3.41Å; Y312-E317 HydrophobicContact CE2-CG 4.12Å; Y312-E317 PolarHBondContact N-O 2.79Å; T315-E317 PolarHBondContact OG1-N 2.99Å
318	F	98.4	Very high	97.3	Very high	53 Å²	53	41.5 Å²	41.5	23%	0.232	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-69.2	150.6	-174.1	-61	-75.8	0	0	0	113	I310 V311 A356 V357 Y360	I310-F318 HydrophobicContact CD1-CD1 4.17Å; I310-F318 HydrophobicContact CD1-CE1 3.89Å; I310-F318 HydrophobicContact CG1-CD1 4.44Å; I310-F318 CarbonylContact O-C 3.58Å; I310-F318 VanDerWaalsContact O-CA 3.29Å; I310-F318 WeakPolarHBondContact O-CA 3.28Å; V311-F318 HydrophobicContact CG1-CD1 3.48Å; V311-F318 VanDerWaalsContact CG1-CD1 3.48Å; V311-F318 HydrophobicContact CG1-CE1 3.8Å; V311-F318 HydrophobicContact CG1-CG 4.13Å; F318-A356 HydrophobicContact CE2-CB 4.19Å; F318-A356 HydrophobicContact CZ-CB 4.34Å; F318-V357 HydrophobicContact CE1-CG2 4.11Å; F318-V357 HydrophobicContact CZ-CG2 3.99Å; F318-Y360 HydrophobicContact CB-CD1 4.37Å; F318-Y360 HydrophobicContact CB-CD2 3.46Å; F318-Y360 VanDerWaalsContact CB-CD2 3.46Å; F318-Y360 HydrophobicContact CB-CE1 4.37Å; F318-Y360 HydrophobicContact CB-CE2 3.46Å; F318-Y360 VanDerWaalsContact CB-CE2 3.46Å; F318-Y360 HydrophobicContact CB-CG 3.92Å; F318-Y360 AromaticContact CD1-CD1 3.62Å; F318-Y360 HydrophobicContact CD1-CD1 3.62Å; F318-Y360 HydrophobicContact CD1-CD2 4.01Å; F318-Y360 HydrophobicContact CD1-CE1 4.15Å; F318-Y360 HydrophobicContact CD1-CE2 4.49Å; F318-Y360 AromaticContact CD1-CG 3.52Å; F318-Y360 HydrophobicContact CD1-CG 3.52Å; F318-Y360 HydrophobicContact CD2-CD2 4.22Å; F318-Y360 HydrophobicContact CD2-CG 4.24Å; F318-Y360 HydrophobicContact CE1-CD1 4.18Å; F318-Y360 HydrophobicContact CE1-CG 4.07Å; F318-Y360 HydrophobicContact CG-CD1 4.15Å; F318-Y360 AromaticContact CG-CD2 3.65Å; F318-Y360 HydrophobicContact CG-CD2 3.65Å; F318-Y360 HydrophobicContact CG-CE2 4.14Å; F318-Y360 AromaticContact CG-CG 3.63Å; F318-Y360 HydrophobicContact CG-CG 3.63Å
319	L	98.4	Very high	97.3	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-68.8	146.2	177.3	-63.1	-167.2	0	0	0	111.5	L268 R309 I310 Y312 H323 L324 Y360	L268-L319 HydrophobicContact CB-CD2 4.46Å; L268-L319 HydrophobicContact CD1-CD1 4.02Å; L268-L319 HydrophobicContact CD1-CD2 4.02Å; R309-L319 WeakPolarHBondContact O-CD1 3.16Å; I310-L319 PolarHBondContact O-N 3.47Å; Y312-L319 HydrophobicContact CD1-CD2 3.58Å; Y312-L319 HydrophobicContact CD2-CD2 4Å; Y312-L319 HydrophobicContact CE1-CD2 3.57Å; Y312-L319 HydrophobicContact CE2-CD2 3.98Å; Y312-L319 HydrophobicContact CG-CD2 3.81Å; L319-H323 HydrophobicContact CB-CB 4.07Å; L319-H323 HydrophobicContact CD1-CB 4.42Å; L319-L324 HydrophobicContact CB-CD2 4.4Å; L319-Y360 VanDerWaalsContact O-CE2 3.29Å; L319-Y360 WeakPolarHBondContact O-CE2 3.15Å; L319-Y360 PolarHBondContact O-OH 3.39Å
320	S	98.1	Very high	97.3	Very high	44 Å²	44	40.9 Å²	40.9	31%	0.308	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-67.9	159.2	171.5	74.7	0	0	0	0	110.9	E322 H323 L324	S320-E322 PolarHBondContact O-N 3.32Å; S320-E322 PolarHBondContact OG-N 3.47Å; S320-H323 PolarHBondContact O-N 2.54Å; S320-H323 PolarHBondContact OG-CD2 3.21Å; S320-H323 VanDerWaalsContact OG-CD2 3.31Å; S320-H323 PolarHBondContact OG-N 2.84Å; S320-L324 PolarHBondContact O-N 3.42Å
321	K	97.7	Very high	97.4	Very high	135 Å²	135	40.8 Å²	40.8	59%	0.587	19%	0.191	S	C	*	.	H	α-helix	trans	-59	-32.1	172.8	-173.6	176.1	-179.6	176.6	0	112.5	L324 V325 T364	K321-L324 PolarHBondContact O-N 2.93Å; K321-V325 WeakPolarHBondContact O-CG2 3.31Å; K321-V325 PolarHBondContact O-N 2.88Å; K321-T364 HydrophobicContact CB-CG2 4.44Å
322	E	98.1	Very high	97.4	Very high	93 Å²	93	40.9 Å²	40.9	44%	0.435	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-41.3	172.2	177.1	-178.9	-160.9	0	0	111.5	S320 V325 Y326	S320-E322 PolarHBondContact O-N 3.32Å; S320-E322 PolarHBondContact OG-N 3.47Å; E322-V325 WeakPolarHBondContact O-CA 3.36Å; E322-V325 WeakPolarHBondContact O-CB 3.41Å; E322-V325 PolarHBondContact O-N 2.9Å; E322-V325 VanDerWaalsContact O-N 3.12Å; E322-Y326 HydrophobicContact CG-CD2 3.99Å; E322-Y326 HydrophobicContact CG-CE2 3.41Å; E322-Y326 VanDerWaalsContact CG-CE2 3.41Å; E322-Y326 PolarHBondContact O-N 3.02Å; E322-Y326 PolarHBondContact OE1-OH 3.23Å
323	H	98.6	Very high	97.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-30.4	177.2	-70.2	-165	0	0	0	112.6	L268 L272 L275 Y312 L319 S320 V325 Y326 T327	L268-H323 HydrophobicContact CD1-CB 3.92Å; L272-H323 PolarHBondContact O-CE1 3.4Å; L275-H323 PolarHBondContact O-NE2 2.68Å; Y312-H323 AromaticContact CE1-CE1 3.86Å; Y312-H323 AromaticContact CE1-ND1 3.5Å; Y312-H323 AromaticContact CZ-ND1 3.67Å; Y312-H323 PolarHBondContact OH-CE1 3.3Å; Y312-H323 VanDerWaalsContact OH-CE1 3.29Å; Y312-H323 PolarHBondContact OH-ND1 2.88Å; Y312-H323 VanDerWaalsContact OH-ND1 3.12Å; L319-H323 HydrophobicContact CB-CB 4.07Å; L319-H323 HydrophobicContact CD1-CB 4.42Å; S320-H323 PolarHBondContact O-N 2.54Å; S320-H323 PolarHBondContact OG-CD2 3.21Å; S320-H323 VanDerWaalsContact OG-CD2 3.31Å; S320-H323 PolarHBondContact OG-N 2.84Å; H323-V325 VanDerWaalsContact C-N 3.32Å; H323-Y326 PolarHBondContact O-N 3.18Å; H323-T327 WeakPolarHBondContact O-CB 3.31Å; H323-T327 WeakPolarHBondContact O-CG2 3.13Å; H323-T327 PolarHBondContact O-N 2.77Å; H323-T327 PolarHBondContact O-OG1 3.38Å
324	L	98.7	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-36.2	166.7	-65	-177.5	0	0	0	111.9	L319 S320 K321 L328 G329 Y360 T364 L365 Y368	L319-L324 HydrophobicContact CB-CD2 4.4Å; S320-L324 PolarHBondContact O-N 3.42Å; K321-L324 PolarHBondContact O-N 2.93Å; L324-L328 HydrophobicContact CD2-CD1 3.91Å; L324-L328 HydrophobicContact CD2-CD2 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.46Å; L324-L328 PolarHBondContact O-N 2.78Å; L324-G329 PolarHBondContact O-N 3Å; L324-G329 VanDerWaalsContact O-N 3.1Å; L324-Y360 WeakPolarHBondContact CD1-OH 3.29Å; L324-T364 HydrophobicContact CD1-CG2 3.97Å; L324-L365 HydrophobicContact CD1-CB 4.38Å; L324-L365 HydrophobicContact CD1-CD1 4.02Å; L324-L365 HydrophobicContact CD2-CD1 3.95Å; L324-Y368 HydrophobicContact CB-CD1 3.84Å; L324-Y368 HydrophobicContact CB-CE1 3.93Å; L324-Y368 HydrophobicContact CB-CG 4.45Å; L324-Y368 HydrophobicContact CD1-CD1 4.2Å; L324-Y368 HydrophobicContact CD1-CG 4.48Å
325	V	98.6	Very high	98	Very high	27 Å²	27	28.7 Å²	28.7	16%	0.164	14%	0.142	C	C	.	.	I	π-helix	trans	-62.9	-48.6	171.2	169.7	0	0	0	0	111	K321 E322 H323 T327 G329 E330 Y368 Y400	K321-V325 WeakPolarHBondContact O-CG2 3.31Å; K321-V325 PolarHBondContact O-N 2.88Å; E322-V325 WeakPolarHBondContact O-CA 3.36Å; E322-V325 WeakPolarHBondContact O-CB 3.41Å; E322-V325 PolarHBondContact O-N 2.9Å; E322-V325 VanDerWaalsContact O-N 3.12Å; H323-V325 VanDerWaalsContact C-N 3.32Å; V325-T327 VanDerWaalsContact C-N 3.26Å; V325-T327 PolarHBondContact O-N 3.43Å; V325-G329 CarbonylContact O-C 3.56Å; V325-G329 WeakPolarHBondContact O-CA 3.45Å; V325-G329 PolarHBondContact O-N 2.98Å; V325-E330 PolarHBondContact O-N 3.09Å; V325-Y368 WeakPolarHBondContact CA-OH 3.42Å; V325-Y368 HydrophobicContact CG2-CE2 3.65Å; V325-Y400 HydrophobicContact CG1-CD1 4.03Å; V325-Y400 HydrophobicContact CG1-CE1 3.57Å; V325-Y400 HydrophobicContact CG1-CE2 4.25Å; V325-Y400 WeakPolarHBondContact O-CE1 3.14Å
326	Y	98.7	Very high	98.2	Very high	44 Å²	44	27.1 Å²	27.1	17%	0.173	13%	0.133	C	C	.	.	I	π-helix	trans	-72.4	-11.6	-177.7	-61.8	-21.1	0	0	0	115.1	G276 V279 L280 A283 E322 H323 E330	G276-Y326 WeakPolarHBondContact O-CD2 3.4Å; G276-Y326 VanDerWaalsContact O-CE2 3.26Å; G276-Y326 WeakPolarHBondContact O-CE2 3.32Å; V279-Y326 HydrophobicContact CB-CD2 4.09Å; V279-Y326 HydrophobicContact CG1-CD2 4.09Å; L280-Y326 HydrophobicContact CB-CD1 3.86Å; L280-Y326 HydrophobicContact CB-CD2 4.01Å; L280-Y326 HydrophobicContact CB-CE1 4.17Å; L280-Y326 HydrophobicContact CB-CE2 4.29Å; L280-Y326 HydrophobicContact CB-CG 3.78Å; L280-Y326 HydrophobicContact CD1-CD1 3.88Å; L280-Y326 HydrophobicContact CD1-CG 4.32Å; L280-Y326 HydrophobicContact CD2-CD1 4.25Å; L280-Y326 HydrophobicContact CD2-CE1 4.06Å; L280-Y326 HydrophobicContact CG-CD1 4.2Å; L280-Y326 HydrophobicContact CG-CE1 4.48Å; A283-Y326 WeakPolarHBondContact CB-O 3.5Å; E322-Y326 HydrophobicContact CG-CD2 3.99Å; E322-Y326 HydrophobicContact CG-CE2 3.41Å; E322-Y326 VanDerWaalsContact CG-CE2 3.41Å; E322-Y326 PolarHBondContact O-N 3.02Å; E322-Y326 PolarHBondContact OE1-OH 3.23Å; H323-Y326 PolarHBondContact O-N 3.18Å; Y326-E330 WeakPolarHBondContact O-CB 3.26Å
327	T	98.8	Very high	98.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.112	C	C	.	.	I	π-helix	trans	-110.2	-68.5	176.9	51	0	0	0	0	112	I266 L268 A283 H323 V325 S331	I266-T327 HydrophobicContact CD1-CG2 4.32Å; L268-T327 HydrophobicContact CD1-CG2 4.2Å; L268-T327 HydrophobicContact CD2-CG2 4.13Å; L268-T327 HydrophobicContact CG-CG2 4.23Å; A283-T327 HydrophobicContact CB-CG2 4.35Å; H323-T327 WeakPolarHBondContact O-CB 3.31Å; H323-T327 WeakPolarHBondContact O-CG2 3.13Å; H323-T327 PolarHBondContact O-N 2.77Å; H323-T327 PolarHBondContact O-OG1 3.38Å; V325-T327 VanDerWaalsContact C-N 3.26Å; V325-T327 PolarHBondContact O-N 3.43Å; T327-S331 WeakPolarHBondContact O-CB 3.45Å; T327-S331 PolarHBondContact O-N 2.81Å; T327-S331 VanDerWaalsContact O-N 3.08Å; T327-S331 PolarHBondContact O-OG 3.46Å
328	L	98.8	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-71.8	-44.9	-178.6	-71.8	66.9	0	0	0	111.3	F51 A308 L324 S331 A332 V339 L341 L365 Y368 V369	F51-L328 WeakPolarHBondContact CZ-O 3.39Å; A308-L328 HydrophobicContact CB-CD1 4.34Å; L324-L328 HydrophobicContact CD2-CD1 3.91Å; L324-L328 HydrophobicContact CD2-CD2 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.46Å; L324-L328 PolarHBondContact O-N 2.78Å; L328-S331 WeakPolarHBondContact O-CB 3.44Å; L328-S331 PolarHBondContact O-N 2.93Å; L328-A332 PolarHBondContact O-N 3.31Å; L328-V339 HydrophobicContact CD2-CG2 4.49Å; L328-V339 HydrophobicContact CG-CG2 4.08Å; L328-L341 HydrophobicContact CD1-CD2 4.17Å; L328-L341 HydrophobicContact CD2-CD2 4.2Å; L328-L341 HydrophobicContact CG-CD2 4.34Å; L328-L365 HydrophobicContact CD2-CD1 4Å; L328-Y368 HydrophobicContact CB-CE1 4.03Å; L328-V369 HydrophobicContact CD2-CG2 4.17Å
329	G	98.6	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-64.5	-42.3	179.1	0	0	0	0	0	113	L324 V325 A332 A333 Y368	L324-G329 PolarHBondContact O-N 3Å; L324-G329 VanDerWaalsContact O-N 3.1Å; V325-G329 CarbonylContact O-C 3.56Å; V325-G329 WeakPolarHBondContact O-CA 3.45Å; V325-G329 PolarHBondContact O-N 2.98Å; G329-A332 PolarHBondContact O-N 2.82Å; G329-A333 WeakPolarHBondContact O-CB 3.33Å; G329-A333 PolarHBondContact O-N 2.85Å; G329-Y368 WeakPolarHBondContact CA-OH 3.44Å; G329-Y368 PolarHBondContact N-OH 2.94Å
330	E	98.8	Very high	98.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-68.3	-37.1	177.5	-170.2	61.4	-169.5	0	0	111	L280 H284 I287 V325 Y326 A332 A333 L334 R392 Y400	L280-E330 HydrophobicContact CD1-CG 4.05Å; H284-E330 HydrophobicContact CB-CG 4.27Å; H284-E330 IonicContact CE1-OE1 2.68Å; H284-E330 IonicContact CG-OE1 2.65Å; H284-E330 IonicContact ND1-OE1 3.65Å; H284-E330 PolarHBondContact ND1-OE1 3.23Å; I287-E330 HydrophobicContact CD1-CB 4.19Å; I287-E330 HydrophobicContact CD1-CG 4.04Å; V325-E330 PolarHBondContact O-N 3.09Å; Y326-E330 WeakPolarHBondContact O-CB 3.26Å; E330-A332 PolarHBondContact O-N 3.36Å; E330-A333 PolarHBondContact O-N 2.76Å; E330-L334 HydrophobicContact CG-CD1 3.87Å; E330-L334 HydrophobicContact CG-CG 4.31Å; E330-L334 WeakPolarHBondContact O-CB 3.37Å; E330-L334 VanDerWaalsContact O-CG 3.27Å; E330-L334 WeakPolarHBondContact O-CG 3.18Å; E330-L334 PolarHBondContact O-N 3.3Å; E330-R392 IonicContact OE1-CZ 3.39Å; E330-R392 IonicContact OE1-NH1 2.68Å; E330-R392 PolarHBondContact OE1-NH1 2.87Å; E330-R392 IonicContact OE1-NH2 2.75Å; E330-R392 IonicContact OE2-CZ 3.14Å; E330-R392 IonicContact OE2-NH1 2.73Å; E330-R392 PolarHBondContact OE2-NH1 2.69Å; E330-R392 IonicContact OE2-NH2 3.64Å; E330-R392 PolarHBondContact OE2-NH2 2.92Å; E330-Y400 HydrophobicContact CB-CE1 4.19Å; E330-Y400 WeakPolarHBondContact OE2-CE1 3.27Å; E330-Y400 PolarHBondContact OE2-OH 3.25Å
331	S	98.9	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.2	-46.2	171.9	-62.8	0	0	0	0	111.8	I287 T327 L328 G335 S336	I287-S331 WeakPolarHBondContact CD1-OG 3.29Å; T327-S331 WeakPolarHBondContact O-CB 3.45Å; T327-S331 PolarHBondContact O-N 2.81Å; T327-S331 VanDerWaalsContact O-N 3.08Å; T327-S331 PolarHBondContact O-OG 3.46Å; L328-S331 WeakPolarHBondContact O-CB 3.44Å; L328-S331 PolarHBondContact O-N 2.93Å; S331-G335 PolarHBondContact O-N 3.34Å; S331-S336 WeakPolarHBondContact O-CB 3.49Å; S331-S336 PolarHBondContact O-N 3.31Å; S331-S336 PolarHBondContact O-OG 2.84Å
332	A	98.6	Very high	98.4	Very high	3 Å²	3	10.3 Å²	10.3	3%	0.025	5%	0.048	C	C	.	.	H	α-helix	trans	-64.4	-46	176.8	0	0	0	0	0	112.1	F51 L328 G329 E330 L334 G335 V372	F51-A332 HydrophobicContact CD1-CB 4.03Å; F51-A332 HydrophobicContact CD2-CB 3.68Å; F51-A332 HydrophobicContact CE1-CB 4.03Å; F51-A332 HydrophobicContact CE2-CB 3.69Å; F51-A332 HydrophobicContact CG-CB 3.85Å; F51-A332 HydrophobicContact CZ-CB 3.86Å; L328-A332 PolarHBondContact O-N 3.31Å; G329-A332 PolarHBondContact O-N 2.82Å; E330-A332 PolarHBondContact O-N 3.36Å; A332-L334 VanDerWaalsContact C-N 3.33Å; A332-L334 PolarHBondContact O-N 2.73Å; A332-G335 PolarHBondContact O-N 2.93Å; A332-G335 VanDerWaalsContact O-N 3.17Å; A332-V372 HydrophobicContact CB-CG2 3.4Å
333	A	98.6	Very high	98.3	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-65.1	-35.2	-178.6	0	0	0	0	0	112.9	G329 E330 G335 R392 Y400 F440	G329-A333 WeakPolarHBondContact O-CB 3.33Å; G329-A333 PolarHBondContact O-N 2.85Å; E330-A333 PolarHBondContact O-N 2.76Å; A333-G335 VanDerWaalsContact C-N 3.25Å; A333-G335 PolarHBondContact O-N 3.03Å; A333-R392 VanDerWaalsContact CB-NH2 3.34Å; A333-R392 WeakPolarHBondContact O-CB 3.46Å; A333-R392 PolarHBondContact O-N 3.19Å; A333-Y400 HydrophobicContact CB-CD1 4.3Å; A333-F440 HydrophobicContact CB-CE1 4.4Å
334	L	98.4	Very high	98	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	1.7	176.9	-64.8	178	0	0	0	114	I287 L288 M291 E330 A332 Q391 L395	I287-L334 HydrophobicContact CB-CD1 3.76Å; I287-L334 HydrophobicContact CD1-CD1 4.3Å; I287-L334 HydrophobicContact CG2-CB 3.79Å; I287-L334 HydrophobicContact CG2-CD1 3.6Å; I287-L334 HydrophobicContact CG2-CG 4.35Å; L288-L334 HydrophobicContact CD2-CD1 4.08Å; L288-L334 HydrophobicContact CD2-CD2 3.87Å; L288-L334 HydrophobicContact CD2-CG 4.49Å; L288-L334 HydrophobicContact CG-CD1 4.22Å; M291-L334 WeakPolarHBondContact CE-O 3.49Å; E330-L334 HydrophobicContact CG-CD1 3.87Å; E330-L334 HydrophobicContact CG-CG 4.31Å; E330-L334 WeakPolarHBondContact O-CB 3.37Å; E330-L334 VanDerWaalsContact O-CG 3.27Å; E330-L334 WeakPolarHBondContact O-CG 3.18Å; E330-L334 PolarHBondContact O-N 3.3Å; A332-L334 VanDerWaalsContact C-N 3.33Å; A332-L334 PolarHBondContact O-N 2.73Å; L334-Q391 WeakPolarHBondContact O-CG 3.03Å; L334-L395 HydrophobicContact CD2-CD2 3.98Å
335	G	97.3	Very high	97.8	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	17.3	172.7	0	0	0	0	0	115.7	S331 A332 A333	S331-G335 PolarHBondContact O-N 3.34Å; A332-G335 PolarHBondContact O-N 2.93Å; A332-G335 VanDerWaalsContact O-N 3.17Å; A333-G335 VanDerWaalsContact C-N 3.25Å; A333-G335 PolarHBondContact O-N 3.03Å
336	S	97.9	Very high	97.6	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	7%	0.068	C	C	.	.			trans	-57	150.3	170.3	-64.3	0	0	0	0	111.1	V304 S331 G338	V304-S336 CarbonylContact O-C 3.53Å; V304-S336 WeakPolarHBondContact O-CB 3.43Å; S331-S336 WeakPolarHBondContact O-CB 3.49Å; S331-S336 PolarHBondContact O-N 3.31Å; S331-S336 PolarHBondContact O-OG 2.84Å; S336-G338 VanDerWaalsContact C-N 3.28Å; S336-G338 PolarHBondContact O-N 2.95Å
337	A	97.6	Very high	97.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.008	6%	0.06	C	C	.	.	S	Bend	trans	-72	-25.2	178.4	0	0	0	0	0	113.2	L52 P303 V304 F305	L52-A337 PolarHBondContact N-O 3.32Å; L52-A337 VanDerWaalsContact N-O 3.08Å; P303-A337 HydrophobicContact CB-CB 3.54Å; V304-A337 PolarHBondContact O-N 3.21Å; F305-A337 HydrophobicContact CD1-CB 4.39Å; F305-A337 HydrophobicContact CD2-CB 4.24Å; F305-A337 HydrophobicContact CE1-CB 3.86Å; F305-A337 HydrophobicContact CE2-CB 3.71Å; F305-A337 HydrophobicContact CZ-CB 3.5Å; F305-A337 VanDerWaalsContact CZ-CB 3.5Å
338	G	97.6	Very high	97.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-157.6	174.2	0	0	0	0	0	110.6	L52 V304 P306 S336	L52-G338 CarbonylContact O-C 3.56Å; L52-G338 VanDerWaalsContact O-C 3.31Å; L52-G338 WeakPolarHBondContact O-CA 3.39Å; V304-G338 PolarHBondContact O-N 3.36Å; P306-G338 WeakPolarHBondContact CD-O 3.41Å; S336-G338 VanDerWaalsContact C-N 3.28Å; S336-G338 PolarHBondContact O-N 2.95Å
339	V	98.6	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	147.9	175.2	-77.4	0	0	0	0	109.6	F51 L52 T53 V54 P306 L328	F51-V339 HydrophobicContact CE1-CG2 4.05Å; F51-V339 HydrophobicContact CE2-CG1 4.22Å; F51-V339 HydrophobicContact CZ-CB 4.3Å; F51-V339 HydrophobicContact CZ-CG1 3.79Å; F51-V339 HydrophobicContact CZ-CG2 3.69Å; L52-V339 PolarHBondContact O-N 3.46Å; T53-V339 HydrophobicContact CG2-CG2 4.21Å; V54-V339 PolarHBondContact N-O 3.14Å; P306-V339 WeakPolarHBondContact O-CA 3.49Å; L328-V339 HydrophobicContact CD2-CG2 4.49Å; L328-V339 HydrophobicContact CG-CG2 4.08Å
340	V	98.8	Very high	97.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.9	173	-167.8	0	0	0	0	109	V54 N56 L144 F305 P306 Y307 A308 W342	V54-V340 CarbonylContact O-C 3.52Å; V54-V340 WeakPolarHBondContact O-CA 3.17Å; N56-V340 HydrophobicContact CB-CG1 3.44Å; N56-V340 VanDerWaalsContact CB-CG1 3.44Å; L144-V340 HydrophobicContact CD1-CG2 3.54Å; F305-V340 HydrophobicContact CB-CG2 4.16Å; P306-V340 PolarHBondContact O-N 3.12Å; Y307-V340 HydrophobicContact CD1-CB 4.18Å; Y307-V340 HydrophobicContact CD1-CG1 4.24Å; Y307-V340 HydrophobicContact CD2-CB 3.87Å; Y307-V340 HydrophobicContact CD2-CG1 4.48Å; Y307-V340 HydrophobicContact CD2-CG2 3.96Å; Y307-V340 HydrophobicContact CE1-CB 4.08Å; Y307-V340 HydrophobicContact CE1-CG1 3.72Å; Y307-V340 HydrophobicContact CE2-CB 3.78Å; Y307-V340 HydrophobicContact CE2-CG1 4Å; Y307-V340 HydrophobicContact CE2-CG2 3.69Å; Y307-V340 HydrophobicContact CG-CB 4.08Å; A308-V340 PolarHBondContact N-O 3.32Å; V340-W342 PolarHBondContact O-N 2.71Å
341	L	98.6	Very high	97.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	97	177.2	-58.9	-174.8	0	0	0	109	T53 V54 W55 N56 A308 I310 L328 L365	T53-L341 HydrophobicContact CG2-CD1 3.46Å; T53-L341 VanDerWaalsContact CG2-CD1 3.46Å; T53-L341 HydrophobicContact CG2-CG 3.82Å; V54-L341 PolarHBondContact O-N 3.15Å; W55-L341 HydrophobicContact CE3-CB 4.02Å; W55-L341 HydrophobicContact CE3-CD1 4.35Å; W55-L341 HydrophobicContact CZ3-CB 4.43Å; N56-L341 CarbonylContact C-O 3.45Å; N56-L341 PolarHBondContact N-O 2.77Å; A308-L341 HydrophobicContact CB-CD2 4.14Å; I310-L341 HydrophobicContact CG2-CD1 4.14Å; I310-L341 HydrophobicContact CG2-CD2 4.5Å; L328-L341 HydrophobicContact CD1-CD2 4.17Å; L328-L341 HydrophobicContact CD2-CD2 4.2Å; L328-L341 HydrophobicContact CG-CD2 4.34Å; L341-L365 HydrophobicContact CD1-CD1 4.08Å; L341-L365 HydrophobicContact CD1-CD2 3.91Å; L341-L365 HydrophobicContact CD1-CG 4.49Å
342	W	98.3	Very high	97.1	Very high	39 Å²	39	28.7 Å²	28.7	15%	0.148	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	142.9	-179.5	-171.4	91.5	0	0	0	112.3	N56 F85 Y94 Y267 Y307 A308 V340 N344	N56-W342 WeakPolarHBondContact O-CA 3.48Å; N56-W342 VanDerWaalsContact O-CD1 3.29Å; F85-W342 AromaticContact CE1-NE1 3.69Å; Y94-W342 PolarHBondContact OH-NE1 2.82Å; Y94-W342 VanDerWaalsContact OH-NE1 3.07Å; Y267-W342 HydrophobicContact CE1-CB 4.45Å; Y267-W342 WeakPolarHBondContact OH-CB 3.34Å; Y307-W342 HydrophobicContact CD1-CB 3.8Å; Y307-W342 HydrophobicContact CD1-CG 4.31Å; Y307-W342 HydrophobicContact CE1-CB 3.96Å; Y307-W342 AromaticContact CE1-CD1 3.81Å; Y307-W342 HydrophobicContact CE1-CG 4.19Å; A308-W342 PolarHBondContact O-N 3.17Å; V340-W342 PolarHBondContact O-N 2.71Å; W342-N344 HydrophobicContact CH2-CB 3.72Å; W342-N344 HydrophobicContact CZ2-CB 4.4Å; W342-N344 HydrophobicContact CZ3-CB 3.91Å
343	G	95.9	Very high	97	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.			trans	-143.6	175.7	170.1	0	0	0	0	0	110.5	N56 A57 P58 F85	N56-G343 PolarHBondContact O-N 3.36Å; A57-G343 VanDerWaalsContact CB-CA 3.44Å; P58-G343 WeakPolarHBondContact CD-O 3.46Å; F85-G343 WeakPolarHBondContact CZ-O 3.41Å
344	N	93.1	Very high	97	Very high	62 Å²	62	29.8 Å²	29.8	33%	0.332	16%	0.158	S	C	.	.			trans	-130.3	179.8	176.5	61.2	-1.6	0	0	0	109.9	W342 A346 F347	W342-N344 HydrophobicContact CH2-CB 3.72Å; W342-N344 HydrophobicContact CZ2-CB 4.4Å; W342-N344 HydrophobicContact CZ3-CB 3.91Å; N344-A346 PolarHBondContact O-N 3.16Å; N344-A346 VanDerWaalsContact OD1-CB 3.31Å; N344-A346 WeakPolarHBondContact OD1-CB 3.23Å; N344-A346 PolarHBondContact OD1-N 3.26Å; N344-F347 PolarHBondContact O-N 3.29Å
345	H	93.4	Very high	97	Very high	104 Å²	104	33.9 Å²	33.9	48%	0.481	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	25.1	177.4	-57.6	-74.8	0	0	0	115.3	P58 D348	P58-H345 WeakPolarHBondContact CB-CE1 3.43Å; P58-H345 WeakPolarHBondContact CG-ND1 3.34Å; H345-D348 WeakPolarHBondContact CA-OD1 3.19Å; H345-D348 WeakPolarHBondContact CB-OD1 3.27Å; H345-D348 IonicContact CG-OD1 3.67Å; H345-D348 IonicContact ND1-OD1 3.55Å; H345-D348 IonicContact ND1-OD2 2.79Å
346	A	94.8	Very high	97	Very high	25 Å²	25	35.8 Å²	35.8	21%	0.207	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.9	159.2	0	0	0	0	0	111	L316 N344 K349 T353	L316-A346 HydrophobicContact CD2-CB 3.87Å; L316-A346 HydrophobicContact CG-CB 4.39Å; N344-A346 PolarHBondContact O-N 3.16Å; N344-A346 VanDerWaalsContact OD1-CB 3.31Å; N344-A346 WeakPolarHBondContact OD1-CB 3.23Å; N344-A346 PolarHBondContact OD1-N 3.26Å; A346-K349 WeakPolarHBondContact O-CB 3.24Å; A346-T353 VanDerWaalsContact O-CG2 3.22Å; A346-T353 WeakPolarHBondContact O-CG2 3.48Å
347	F	95.5	Very high	97.1	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-39	-177.2	-71.4	3.6	0	0	0	112.3	W55 A57 T59 I310 V311 L316 N344 T353 V357	W55-F347 HydrophobicContact CH2-CD2 4.14Å; W55-F347 HydrophobicContact CH2-CE2 4.05Å; W55-F347 HydrophobicContact CZ2-CD2 4.04Å; W55-F347 HydrophobicContact CZ2-CE2 4.34Å; A57-F347 HydrophobicContact CB-CD2 3.68Å; A57-F347 HydrophobicContact CB-CE2 3.94Å; T59-F347 HydrophobicContact CG2-CB 3.74Å; T59-F347 HydrophobicContact CG2-CD2 4.4Å; I310-F347 HydrophobicContact CD1-CE2 3.83Å; I310-F347 HydrophobicContact CD1-CZ 3.95Å; I310-F347 HydrophobicContact CG1-CE1 4.46Å; I310-F347 HydrophobicContact CG1-CE2 3.71Å; I310-F347 HydrophobicContact CG1-CZ 3.5Å; I310-F347 VanDerWaalsContact CG1-CZ 3.5Å; V311-F347 HydrophobicContact CG1-CE1 4.11Å; V311-F347 HydrophobicContact CG1-CZ 4.46Å; V311-F347 HydrophobicContact CG2-CE1 3.78Å; V311-F347 HydrophobicContact CG2-CZ 4.01Å; L316-F347 HydrophobicContact CD2-CD1 3.89Å; L316-F347 HydrophobicContact CD2-CE1 4.21Å; N344-F347 PolarHBondContact O-N 3.29Å; F347-T353 CarbonylContact O-C 3.41Å; F347-V357 HydrophobicContact CB-CG2 4.11Å; F347-V357 HydrophobicContact CD1-CG2 4.36Å; F347-V357 HydrophobicContact CG-CG2 4.13Å
348	D	95.4	Very high	97.1	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.6	-176.4	77.5	-32.5	0	0	0	113.9	P58 T59 N61 Y66 H345 S350	P58-D348 WeakPolarHBondContact O-CB 3.42Å; T59-D348 HydrophobicContact CG2-CB 4.38Å; N61-D348 HydrophobicContact CB-CB 4.12Å; N61-D348 PolarHBondContact ND2-OD2 2.04Å; Y66-D348 WeakPolarHBondContact CE2-O 3.07Å; H345-D348 WeakPolarHBondContact CA-OD1 3.19Å; H345-D348 WeakPolarHBondContact CB-OD1 3.27Å; H345-D348 IonicContact CG-OD1 3.67Å; H345-D348 IonicContact ND1-OD1 3.55Å; H345-D348 IonicContact ND1-OD2 2.79Å; D348-S350 PolarHBondContact O-N 3.27Å
349	K	96.1	Very high	97.1	Very high	157 Å²	157	40 Å²	40	68%	0.683	22%	0.217	S	C	*	.	S	Bend	trans	-65.2	-22.8	-170.2	-173.3	171.1	177.1	-179.5	0	114.5	A346	A346-K349 WeakPolarHBondContact O-CB 3.24Å
350	S	97.8	Very high	97.1	Very high	40 Å²	40	40.8 Å²	40.8	28%	0.28	22%	0.22	S	C	.	.	S	Bend	trans	-161.3	157.6	179.7	78.3	0	0	0	0	111.5	Y66 D348 A352 T353 C354	Y66-S350 VanDerWaalsContact CE2-C 3.42Å; D348-S350 PolarHBondContact O-N 3.27Å; S350-A352 VanDerWaalsContact C-N 3.27Å; S350-A352 PolarHBondContact O-N 3.28Å; S350-T353 PolarHBondContact O-N 3.02Å; S350-T353 PolarHBondContact OG-N 3.17Å; S350-T353 PolarHBondContact OG-OG1 3.34Å; S350-C354 PolarHBondContact O-N 3Å
351	K	98.1	Very high	97	Very high	95 Å²	95	40.8 Å²	40.8	41%	0.413	22%	0.22	S	C	.	.	H	α-helix	trans	-51.1	-45.4	174.3	-174.5	160.2	-164.2	-78.7	0	112.7	Y66 V68 T353 C354 E355	Y66-K351 HydrophobicContact CD1-CB 3.91Å; Y66-K351 HydrophobicContact CD2-CB 4.3Å; Y66-K351 HydrophobicContact CG-CB 3.73Å; Y66-K351 HydrophobicContact CG-CG 4.39Å; Y66-K351 WeakPolarHBondContact O-CE 3.36Å; V68-K351 HydrophobicContact CG2-CG 4.13Å; K351-T353 VanDerWaalsContact C-N 3.26Å; K351-T353 PolarHBondContact O-N 3.43Å; K351-C354 PolarHBondContact O-N 3.44Å; K351-E355 HydrophobicContact CG-CG 4.28Å; K351-E355 IonicContact NZ-OE1 4Å; K351-E355 PolarHBondContact NZ-OE1 3.43Å; K351-E355 WeakPolarHBondContact O-CB 3.34Å; K351-E355 VanDerWaalsContact O-CG 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.42Å; K351-E355 PolarHBondContact O-N 2.83Å
352	A	98.2	Very high	96.7	Very high	65 Å²	65	43 Å²	43	54%	0.537	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-29.8	179.2	0	0	0	0	0	113	S350 A356	S350-A352 VanDerWaalsContact C-N 3.27Å; S350-A352 PolarHBondContact O-N 3.28Å; A352-A356 WeakPolarHBondContact O-CB 3.39Å; A352-A356 PolarHBondContact O-N 3.4Å; A352-A356 VanDerWaalsContact O-N 3.14Å
353	T	97.4	Very high	96.6	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.153	26%	0.256	C	S	.	.	H	α-helix	trans	-77.1	-40.9	175.2	-39.9	0	0	0	0	111.5	L316 A346 F347 S350 K351 E355 A356 V357	L316-T353 HydrophobicContact CD1-CG2 3.82Å; L316-T353 HydrophobicContact CD2-CG2 4.13Å; A346-T353 VanDerWaalsContact O-CG2 3.22Å; A346-T353 WeakPolarHBondContact O-CG2 3.48Å; F347-T353 CarbonylContact O-C 3.41Å; S350-T353 PolarHBondContact O-N 3.02Å; S350-T353 PolarHBondContact OG-N 3.17Å; S350-T353 PolarHBondContact OG-OG1 3.34Å; K351-T353 VanDerWaalsContact C-N 3.26Å; K351-T353 PolarHBondContact O-N 3.43Å; T353-E355 PolarHBondContact O-N 3.06Å; T353-A356 PolarHBondContact O-N 2.86Å; T353-V357 WeakPolarHBondContact O-CG2 3.12Å; T353-V357 PolarHBondContact O-N 3.28Å
354	C	98.3	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-42	171.5	-65.6	0	0	0	0	112.3	C62 V68 S350 K351 A356 V357 K358	C62-C354 WeakPolarHBondContact CA-SG 3.1Å; C62-C354 HydrophobicContact CB-CB 3.62Å; C62-C354 WeakPolarHBondContact CB-SG 3.47Å; C62-C354 WeakPolarHBondContact SG-CB 3.47Å; C62-C354 CovalentContact SG-SG 2.04Å; C62-C354 PolarHBondContact SG-SG 3.23Å; V68-C354 HydrophobicContact CB-CB 3.94Å; V68-C354 HydrophobicContact CG1-CB 3.97Å; V68-C354 HydrophobicContact CG2-CB 4.13Å; S350-C354 PolarHBondContact O-N 3Å; K351-C354 PolarHBondContact O-N 3.44Å; C354-A356 VanDerWaalsContact C-N 3.34Å; C354-A356 PolarHBondContact O-N 2.86Å; C354-V357 PolarHBondContact O-N 3.49Å; C354-K358 WeakPolarHBondContact O-CB 3.38Å; C354-K358 PolarHBondContact O-N 2.87Å
355	E	98.4	Very high	96.8	Very high	87 Å²	87	47 Å²	47	41%	0.407	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-39	175.2	-73.7	170.1	149.6	0	0	111.8	V68 K351 T353 S359	V68-E355 HydrophobicContact CG2-CG 3.97Å; K351-E355 HydrophobicContact CG-CG 4.28Å; K351-E355 IonicContact NZ-OE1 4Å; K351-E355 PolarHBondContact NZ-OE1 3.43Å; K351-E355 WeakPolarHBondContact O-CB 3.34Å; K351-E355 VanDerWaalsContact O-CG 3.29Å; K351-E355 WeakPolarHBondContact O-CG 3.42Å; K351-E355 PolarHBondContact O-N 2.83Å; T353-E355 PolarHBondContact O-N 3.06Å; E355-S359 WeakPolarHBondContact O-CB 3.48Å; E355-S359 PolarHBondContact O-N 3.04Å
356	A	98.3	Very high	96.9	Very high	42 Å²	42	42 Å²	42	35%	0.347	23%	0.23	S	C	.	.	H	α-helix	trans	-70	-41.2	175.1	0	0	0	0	0	112.8	F318 A352 T353 C354 K358 S359 Y360	F318-A356 HydrophobicContact CE2-CB 4.19Å; F318-A356 HydrophobicContact CZ-CB 4.34Å; A352-A356 WeakPolarHBondContact O-CB 3.39Å; A352-A356 PolarHBondContact O-N 3.4Å; A352-A356 VanDerWaalsContact O-N 3.14Å; T353-A356 PolarHBondContact O-N 2.86Å; C354-A356 VanDerWaalsContact C-N 3.34Å; C354-A356 PolarHBondContact O-N 2.86Å; A356-K358 VanDerWaalsContact C-N 3.35Å; A356-S359 PolarHBondContact O-N 3.48Å; A356-Y360 PolarHBondContact O-N 3.13Å
357	V	98.3	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.6	169.5	0	0	0	0	110.2	W55 L70 I310 F318 F347 T353 C354 Y360 I361	W55-V357 HydrophobicContact CH2-CG1 4.19Å; W55-V357 HydrophobicContact CZ2-CG1 4.45Å; L70-V357 HydrophobicContact CD1-CG1 3.99Å; L70-V357 HydrophobicContact CD2-CG1 4.17Å; I310-V357 HydrophobicContact CD1-CG1 4.3Å; F318-V357 HydrophobicContact CE1-CG2 4.11Å; F318-V357 HydrophobicContact CZ-CG2 3.99Å; F347-V357 HydrophobicContact CB-CG2 4.11Å; F347-V357 HydrophobicContact CD1-CG2 4.36Å; F347-V357 HydrophobicContact CG-CG2 4.13Å; T353-V357 WeakPolarHBondContact O-CG2 3.12Å; T353-V357 PolarHBondContact O-N 3.28Å; C354-V357 PolarHBondContact O-N 3.49Å; V357-Y360 PolarHBondContact O-N 3.18Å; V357-I361 HydrophobicContact CG1-CD1 3.74Å; V357-I361 WeakPolarHBondContact O-CD1 3.35Å; V357-I361 VanDerWaalsContact O-CG1 3.26Å; V357-I361 WeakPolarHBondContact O-CG1 3.44Å; V357-I361 PolarHBondContact O-N 3.21Å
358	K	97.4	Very high	96.9	Very high	39 Å²	39	42.9 Å²	42.9	17%	0.17	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-51.4	174.6	-178.5	171.1	-171.4	50.6	0	112.4	V68 D69 L70 D71 C354 A356 Y360 I361 D362	V68-K358 HydrophobicContact CG1-CB 4.09Å; V68-K358 HydrophobicContact CG1-CD 4.06Å; D69-K358 WeakPolarHBondContact O-CD 3.32Å; D69-K358 VanDerWaalsContact O-CE 3.23Å; D69-K358 WeakPolarHBondContact O-CE 3.16Å; D69-K358 PolarHBondContact O-NZ 2.74Å; L70-K358 HydrophobicContact CD2-CB 3.99Å; D71-K358 IonicContact OD2-NZ 3.38Å; D71-K358 PolarHBondContact OD2-NZ 3.19Å; C354-K358 WeakPolarHBondContact O-CB 3.38Å; C354-K358 PolarHBondContact O-N 2.87Å; A356-K358 VanDerWaalsContact C-N 3.35Å; K358-Y360 VanDerWaalsContact C-N 3.27Å; K358-Y360 PolarHBondContact O-N 2.91Å; K358-I361 CarbonylContact O-C 3.56Å; K358-I361 WeakPolarHBondContact O-CA 2.99Å; K358-I361 WeakPolarHBondContact O-CB 3.35Å; K358-I361 PolarHBondContact O-N 3.35Å; K358-D362 WeakPolarHBondContact CE-OD2 3.29Å; K358-D362 VanDerWaalsContact CG-OD2 3.28Å; K358-D362 WeakPolarHBondContact CG-OD2 3.28Å; K358-D362 IonicContact NZ-OD1 4Å; K358-D362 PolarHBondContact NZ-OD1 2.83Å; K358-D362 IonicContact NZ-OD2 2.71Å; K358-D362 PolarHBondContact NZ-OD2 3.42Å; K358-D362 PolarHBondContact O-N 2.72Å
359	S	97.8	Very high	96.9	Very high	50 Å²	50	42.5 Å²	42.5	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-54.9	-43.6	177.2	160.5	0	0	0	0	111.3	E355 A356 I361 D362 E363	E355-S359 WeakPolarHBondContact O-CB 3.48Å; E355-S359 PolarHBondContact O-N 3.04Å; A356-S359 PolarHBondContact O-N 3.48Å; S359-I361 PolarHBondContact O-N 3.23Å; S359-D362 PolarHBondContact O-N 3.28Å; S359-E363 WeakPolarHBondContact CB-OE1 3.36Å; S359-E363 WeakPolarHBondContact O-CB 3.4Å; S359-E363 VanDerWaalsContact O-CG 3.31Å; S359-E363 WeakPolarHBondContact O-CG 3.24Å; S359-E363 PolarHBondContact O-N 3.13Å; S359-E363 PolarHBondContact OG-OE1 3.37Å
360	Y	98.3	Very high	96.8	Very high	17 Å²	17	35.1 Å²	35.1	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-37.3	175.6	-175.2	-101	0	0	0	113.7	I310 F318 L319 L324 A356 V357 K358 T364 L365	I310-Y360 HydrophobicContact CB-CD1 4.28Å; I310-Y360 HydrophobicContact CB-CE1 3.85Å; I310-Y360 HydrophobicContact CD1-CD1 4.23Å; I310-Y360 HydrophobicContact CG2-CE1 4.37Å; F318-Y360 HydrophobicContact CB-CD1 4.37Å; F318-Y360 HydrophobicContact CB-CD2 3.46Å; F318-Y360 VanDerWaalsContact CB-CD2 3.46Å; F318-Y360 HydrophobicContact CB-CE1 4.37Å; F318-Y360 HydrophobicContact CB-CE2 3.46Å; F318-Y360 VanDerWaalsContact CB-CE2 3.46Å; F318-Y360 HydrophobicContact CB-CG 3.92Å; F318-Y360 AromaticContact CD1-CD1 3.62Å; F318-Y360 HydrophobicContact CD1-CD1 3.62Å; F318-Y360 HydrophobicContact CD1-CD2 4.01Å; F318-Y360 HydrophobicContact CD1-CE1 4.15Å; F318-Y360 HydrophobicContact CD1-CE2 4.49Å; F318-Y360 AromaticContact CD1-CG 3.52Å; F318-Y360 HydrophobicContact CD1-CG 3.52Å; F318-Y360 HydrophobicContact CD2-CD2 4.22Å; F318-Y360 HydrophobicContact CD2-CG 4.24Å; F318-Y360 HydrophobicContact CE1-CD1 4.18Å; F318-Y360 HydrophobicContact CE1-CG 4.07Å; F318-Y360 HydrophobicContact CG-CD1 4.15Å; F318-Y360 AromaticContact CG-CD2 3.65Å; F318-Y360 HydrophobicContact CG-CD2 3.65Å; F318-Y360 HydrophobicContact CG-CE2 4.14Å; F318-Y360 AromaticContact CG-CG 3.63Å; F318-Y360 HydrophobicContact CG-CG 3.63Å; L319-Y360 VanDerWaalsContact O-CE2 3.29Å; L319-Y360 WeakPolarHBondContact O-CE2 3.15Å; L319-Y360 PolarHBondContact O-OH 3.39Å; L324-Y360 WeakPolarHBondContact CD1-OH 3.29Å; A356-Y360 PolarHBondContact O-N 3.13Å; V357-Y360 PolarHBondContact O-N 3.18Å; K358-Y360 VanDerWaalsContact C-N 3.27Å; K358-Y360 PolarHBondContact O-N 2.91Å; Y360-T364 HydrophobicContact CD2-CG2 4.27Å; Y360-T364 HydrophobicContact CE2-CG2 3.58Å; Y360-T364 WeakPolarHBondContact O-CA 3.37Å; Y360-T364 WeakPolarHBondContact O-CB 3.36Å; Y360-T364 PolarHBondContact O-N 2.8Å; Y360-L365 HydrophobicContact CD1-CB 4.05Å; Y360-L365 HydrophobicContact CE1-CB 3.76Å; Y360-L365 PolarHBondContact O-N 3.1Å
361	I	96.8	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-62.9	-56.1	172.9	-69.3	161.1	0	0	0	110.3	W55 L70 L72 F75 V357 K358 S359 E363 L365 G366 P367	W55-I361 HydrophobicContact CH2-CD1 4.27Å; L70-I361 HydrophobicContact CB-CD1 4.03Å; L70-I361 HydrophobicContact CD1-CD1 4.07Å; L70-I361 HydrophobicContact CD2-CD1 4.31Å; L70-I361 HydrophobicContact CG-CD1 4.37Å; L72-I361 HydrophobicContact CD2-CD1 3.74Å; L72-I361 HydrophobicContact CD2-CG1 4.27Å; L72-I361 HydrophobicContact CD2-CG2 4.31Å; L72-I361 HydrophobicContact CG-CD1 4.4Å; F75-I361 HydrophobicContact CD2-CG2 3.79Å; F75-I361 HydrophobicContact CE2-CG2 3.54Å; F75-I361 HydrophobicContact CZ-CG2 4.26Å; V357-I361 HydrophobicContact CG1-CD1 3.74Å; V357-I361 WeakPolarHBondContact O-CD1 3.35Å; V357-I361 VanDerWaalsContact O-CG1 3.26Å; V357-I361 WeakPolarHBondContact O-CG1 3.44Å; V357-I361 PolarHBondContact O-N 3.21Å; K358-I361 CarbonylContact O-C 3.56Å; K358-I361 WeakPolarHBondContact O-CA 2.99Å; K358-I361 WeakPolarHBondContact O-CB 3.35Å; K358-I361 PolarHBondContact O-N 3.35Å; S359-I361 PolarHBondContact O-N 3.23Å; I361-E363 PolarHBondContact O-N 2.73Å; I361-L365 HydrophobicContact CG1-CD2 4.16Å; I361-G366 WeakPolarHBondContact O-CA 3.37Å; I361-G366 PolarHBondContact O-N 3.03Å; I361-P367 WeakPolarHBondContact O-CD 3.49Å
362	D	94.2	Very high	96.7	Very high	49 Å²	49	30.1 Å²	30.1	26%	0.262	17%	0.174	S	C	.	.	I	π-helix	trans	-65.8	-37.7	-173.2	-67.5	-15.7	0	0	0	112.4	K358 S359 P367	K358-D362 WeakPolarHBondContact CE-OD2 3.29Å; K358-D362 VanDerWaalsContact CG-OD2 3.28Å; K358-D362 WeakPolarHBondContact CG-OD2 3.28Å; K358-D362 IonicContact NZ-OD1 4Å; K358-D362 PolarHBondContact NZ-OD1 2.83Å; K358-D362 IonicContact NZ-OD2 2.71Å; K358-D362 PolarHBondContact NZ-OD2 3.42Å; K358-D362 PolarHBondContact O-N 2.72Å; S359-D362 PolarHBondContact O-N 3.28Å; D362-P367 WeakPolarHBondContact O-CD 3.37Å; D362-P367 WeakPolarHBondContact O-CG 3.44Å
363	E	94.4	Very high	96.5	Very high	140 Å²	140	27.7 Å²	27.7	65%	0.654	15%	0.152	S	C	*	.	I	π-helix	trans	-94.6	-32.7	-173	-61.9	172.5	-130.5	0	0	114.1	S359 I361	S359-E363 WeakPolarHBondContact CB-OE1 3.36Å; S359-E363 WeakPolarHBondContact O-CB 3.4Å; S359-E363 VanDerWaalsContact O-CG 3.31Å; S359-E363 WeakPolarHBondContact O-CG 3.24Å; S359-E363 PolarHBondContact O-N 3.13Å; S359-E363 PolarHBondContact OG-OE1 3.37Å; I361-E363 PolarHBondContact O-N 2.73Å
364	T	96.6	Very high	96.4	Very high	43 Å²	43	27 Å²	27	26%	0.264	15%	0.148	S	C	.	.	I	π-helix	trans	-123.7	-61.7	-169.1	-62.7	0	0	0	0	113.9	K321 L324 Y360 Y368	K321-T364 HydrophobicContact CB-CG2 4.44Å; L324-T364 HydrophobicContact CD1-CG2 3.97Å; Y360-T364 HydrophobicContact CD2-CG2 4.27Å; Y360-T364 HydrophobicContact CE2-CG2 3.58Å; Y360-T364 WeakPolarHBondContact O-CA 3.37Å; Y360-T364 WeakPolarHBondContact O-CB 3.36Å; Y360-T364 PolarHBondContact O-N 2.8Å; T364-Y368 WeakPolarHBondContact O-CB 3.5Å; T364-Y368 PolarHBondContact O-N 2.95Å
365	L	97.7	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-70.7	-52.6	-171.8	173.3	74.5	0	0	0	111.6	I77 I310 L324 L328 L341 Y360 I361 Y368 V369	I77-L365 HydrophobicContact CD1-CD2 4.25Å; I310-L365 HydrophobicContact CG2-CD1 4.22Å; I310-L365 HydrophobicContact CG2-CD2 3.69Å; L324-L365 HydrophobicContact CD1-CB 4.38Å; L324-L365 HydrophobicContact CD1-CD1 4.02Å; L324-L365 HydrophobicContact CD2-CD1 3.95Å; L328-L365 HydrophobicContact CD2-CD1 4Å; L341-L365 HydrophobicContact CD1-CD1 4.08Å; L341-L365 HydrophobicContact CD1-CD2 3.91Å; L341-L365 HydrophobicContact CD1-CG 4.49Å; Y360-L365 HydrophobicContact CD1-CB 4.05Å; Y360-L365 HydrophobicContact CE1-CB 3.76Å; Y360-L365 PolarHBondContact O-N 3.1Å; I361-L365 HydrophobicContact CG1-CD2 4.16Å; L365-Y368 CarbonylContact O-C 3.52Å; L365-Y368 WeakPolarHBondContact O-CA 3.42Å; L365-Y368 WeakPolarHBondContact O-CB 3.45Å; L365-Y368 PolarHBondContact O-N 3.22Å; L365-Y368 VanDerWaalsContact O-N 3.08Å; L365-V369 HydrophobicContact CD1-CG2 3.98Å; L365-V369 HydrophobicContact CG-CG2 4.12Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.32Å
366	G	94.9	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-53	-174.1	0	0	0	0	0	113.1	F75 I361 Y368 V369 V370	F75-G366 VanDerWaalsContact CG-CA 3.43Å; I361-G366 WeakPolarHBondContact O-CA 3.37Å; I361-G366 PolarHBondContact O-N 3.03Å; G366-Y368 PolarHBondContact O-N 2.89Å; G366-V369 PolarHBondContact O-N 3.37Å; G366-V369 VanDerWaalsContact O-N 3.14Å; G366-V370 WeakPolarHBondContact O-CG2 3.39Å; G366-V370 PolarHBondContact O-N 3.1Å
367	P	93.5	Very high	96.1	Very high	37 Å²	37	23 Å²	23	24%	0.24	13%	0.127	C	C	.	.	H	α-helix	trans	-58.7	-28.3	174.3	-26.1	35.6	0	0	0	113.6	F75 I361 D362 N371	F75-P367 HydrophobicContact CE1-CG 4.44Å; I361-P367 WeakPolarHBondContact O-CD 3.49Å; D362-P367 WeakPolarHBondContact O-CD 3.37Å; D362-P367 WeakPolarHBondContact O-CG 3.44Å; P367-N371 PolarHBondContact O-N 3.44Å
368	Y	96.6	Very high	95.9	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.027	13%	0.127	C	C	.	.	H	α-helix	trans	-76.9	-41.7	174.5	-179.9	-99.4	0	0	0	112.7	L324 V325 L328 G329 T364 L365 G366 V370 N371 V372 H402	L324-Y368 HydrophobicContact CB-CD1 3.84Å; L324-Y368 HydrophobicContact CB-CE1 3.93Å; L324-Y368 HydrophobicContact CB-CG 4.45Å; L324-Y368 HydrophobicContact CD1-CD1 4.2Å; L324-Y368 HydrophobicContact CD1-CG 4.48Å; V325-Y368 WeakPolarHBondContact CA-OH 3.42Å; V325-Y368 HydrophobicContact CG2-CE2 3.65Å; L328-Y368 HydrophobicContact CB-CE1 4.03Å; G329-Y368 WeakPolarHBondContact CA-OH 3.44Å; G329-Y368 PolarHBondContact N-OH 2.94Å; T364-Y368 WeakPolarHBondContact O-CB 3.5Å; T364-Y368 PolarHBondContact O-N 2.95Å; L365-Y368 CarbonylContact O-C 3.52Å; L365-Y368 WeakPolarHBondContact O-CA 3.42Å; L365-Y368 WeakPolarHBondContact O-CB 3.45Å; L365-Y368 PolarHBondContact O-N 3.22Å; L365-Y368 VanDerWaalsContact O-N 3.08Å; G366-Y368 PolarHBondContact O-N 2.89Å; Y368-V370 PolarHBondContact O-N 3.46Å; Y368-N371 WeakPolarHBondContact O-CB 3.43Å; Y368-N371 PolarHBondContact O-N 3.15Å; Y368-N371 VanDerWaalsContact O-N 3.13Å; Y368-V372 HydrophobicContact CE1-CG1 4.32Å; Y368-V372 PolarHBondContact O-N 3.07Å; Y368-H402 AromaticContact CE2-NE2 3.7Å; Y368-H402 AromaticContact CZ-NE2 3.7Å; Y368-H402 PolarHBondContact OH-NE2 3.3Å
369	V	96.5	Very high	95.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-44.4	174.1	171.6	0	0	0	0	110.8	T53 F75 I77 L328 L365 G366 N371 V372 T373	T53-V369 HydrophobicContact CG2-CG1 4.25Å; T53-V369 HydrophobicContact CG2-CG2 4.04Å; T53-V369 WeakPolarHBondContact OG1-CG1 3.29Å; F75-V369 WeakPolarHBondContact O-CG1 3.49Å; I77-V369 HydrophobicContact CD1-CG2 4.37Å; I77-V369 HydrophobicContact CG1-CB 4.42Å; I77-V369 HydrophobicContact CG1-CG1 3.91Å; I77-V369 HydrophobicContact CG1-CG2 4.37Å; L328-V369 HydrophobicContact CD2-CG2 4.17Å; L365-V369 HydrophobicContact CD1-CG2 3.98Å; L365-V369 HydrophobicContact CG-CG2 4.12Å; L365-V369 WeakPolarHBondContact O-CG2 3.45Å; L365-V369 PolarHBondContact O-N 3.32Å; G366-V369 PolarHBondContact O-N 3.37Å; G366-V369 VanDerWaalsContact O-N 3.14Å; V369-N371 VanDerWaalsContact C-N 3.26Å; V369-N371 PolarHBondContact O-N 3.2Å; V369-V372 PolarHBondContact O-N 2.04Å; V369-T373 HydrophobicContact CG1-CG2 3.95Å; V369-T373 WeakPolarHBondContact O-CB 3.25Å; V369-T373 VanDerWaalsContact O-CG2 3.32Å; V369-T373 WeakPolarHBondContact O-CG2 3.35Å; V369-T373 PolarHBondContact O-N 2.87Å; V369-T373 PolarHBondContact O-OG1 3.44Å
370	V	93.9	Very high	95.8	Very high	2 Å²	2	19 Å²	19	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-37.4	174.9	172.9	0	0	0	0	111.4	F75 G366 Y368 T373 S374 I410 Y422 V424	F75-V370 HydrophobicContact CB-CG2 4.17Å; F75-V370 HydrophobicContact CD1-CG2 4.2Å; G366-V370 WeakPolarHBondContact O-CG2 3.39Å; G366-V370 PolarHBondContact O-N 3.1Å; Y368-V370 PolarHBondContact O-N 3.46Å; V370-T373 PolarHBondContact O-OG1 3.11Å; V370-S374 WeakPolarHBondContact O-CB 3.32Å; V370-S374 PolarHBondContact O-N 3.11Å; V370-S374 PolarHBondContact O-OG 3.08Å; V370-I410 HydrophobicContact CG1-CD1 4.24Å; V370-I410 HydrophobicContact CG1-CG1 4.33Å; V370-I410 HydrophobicContact CG1-CG2 3.89Å; V370-Y422 HydrophobicContact CG2-CD2 4.42Å; V370-Y422 HydrophobicContact CG2-CG 4.28Å; V370-V424 HydrophobicContact CG1-CG2 3.99Å
371	N	95.6	Very high	95.7	Very high	29 Å²	29	21.6 Å²	21.6	16%	0.155	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-55.3	177	-171.6	-66.3	0	0	0	111.9	P367 Y368 V369 A375 H402 L403 I410	P367-N371 PolarHBondContact O-N 3.44Å; Y368-N371 WeakPolarHBondContact O-CB 3.43Å; Y368-N371 PolarHBondContact O-N 3.15Å; Y368-N371 VanDerWaalsContact O-N 3.13Å; V369-N371 VanDerWaalsContact C-N 3.26Å; V369-N371 PolarHBondContact O-N 3.2Å; N371-A375 WeakPolarHBondContact O-CB 3.18Å; N371-A375 PolarHBondContact O-N 3.49Å; N371-H402 WeakPolarHBondContact OD1-CA 3.43Å; N371-H402 WeakPolarHBondContact OD1-CB 3.29Å; N371-L403 PolarHBondContact ND2-O 3.06Å; N371-L403 PolarHBondContact OD1-N 3.36Å; N371-I410 HydrophobicContact CB-CD1 3.72Å
372	V	96.9	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.6	-40.5	-174.7	65.8	0	0	0	0	113	F51 A332 Y368 V369 A375 A376	F51-V372 HydrophobicContact CD1-CG1 4.34Å; F51-V372 HydrophobicContact CD1-CG2 4.35Å; F51-V372 HydrophobicContact CE1-CG1 4.1Å; F51-V372 HydrophobicContact CE1-CG2 4.31Å; A332-V372 HydrophobicContact CB-CG2 3.4Å; Y368-V372 HydrophobicContact CE1-CG1 4.32Å; Y368-V372 PolarHBondContact O-N 3.07Å; V369-V372 PolarHBondContact O-N 2.04Å; V372-A375 PolarHBondContact O-N 2.97Å; V372-A376 WeakPolarHBondContact O-CB 3.46Å; V372-A376 PolarHBondContact O-N 3.45Å
373	T	95.4	Very high	95.7	Very high	14 Å²	14	22 Å²	22	9%	0.086	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-39.6	178.1	54.7	0	0	0	0	111.9	F51 V369 V370 T377	F51-T373 HydrophobicContact CD1-CG2 4.14Å; V369-T373 HydrophobicContact CG1-CG2 3.95Å; V369-T373 WeakPolarHBondContact O-CB 3.25Å; V369-T373 VanDerWaalsContact O-CG2 3.32Å; V369-T373 WeakPolarHBondContact O-CG2 3.35Å; V369-T373 PolarHBondContact O-N 2.87Å; V369-T373 PolarHBondContact O-OG1 3.44Å; V370-T373 PolarHBondContact O-OG1 3.11Å; T373-T377 WeakPolarHBondContact O-CB 3.31Å; T373-T377 PolarHBondContact O-N 3.34Å; T373-T377 PolarHBondContact O-OG1 2.84Å
374	S	94.6	Very high	95.8	Very high	11 Å²	11	15.4 Å²	15.4	8%	0.077	9%	0.088	C	C	.	.	H	α-helix	trans	-69.2	-40.1	176.4	-60.5	0	0	0	0	112.2	V370 T377 L378 V424	V370-S374 WeakPolarHBondContact O-CB 3.32Å; V370-S374 PolarHBondContact O-N 3.11Å; V370-S374 PolarHBondContact O-OG 3.08Å; S374-T377 PolarHBondContact O-N 3.04Å; S374-L378 WeakPolarHBondContact O-CB 3.2Å; S374-L378 PolarHBondContact O-N 2.64Å; S374-V424 WeakPolarHBondContact OG-CG2 3.46Å
375	A	95.9	Very high	95.8	Very high	3 Å²	3	15.6 Å²	15.6	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-66.3	-41	175.9	0	0	0	0	0	112.4	N371 V372 L378 C379 L401 L403	N371-A375 WeakPolarHBondContact O-CB 3.18Å; N371-A375 PolarHBondContact O-N 3.49Å; V372-A375 PolarHBondContact O-N 2.97Å; A375-L378 PolarHBondContact O-N 2.92Å; A375-C379 WeakPolarHBondContact O-CB 3.34Å; A375-C379 PolarHBondContact O-N 3.42Å; A375-L401 HydrophobicContact CB-CB 4.25Å; A375-L401 VanDerWaalsContact CB-O 3.3Å; A375-L401 WeakPolarHBondContact CB-O 3.33Å; A375-L403 HydrophobicContact CB-CD2 3.94Å; A375-L403 HydrophobicContact CB-CG 4.18Å
376	A	97.1	Very high	95.7	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-41.3	173.2	0	0	0	0	0	112.2	P50 F51 V372 C379 S380 L401	P50-A376 HydrophobicContact CB-CB 4.32Å; F51-A376 HydrophobicContact CB-CB 3.68Å; V372-A376 WeakPolarHBondContact O-CB 3.46Å; V372-A376 PolarHBondContact O-N 3.45Å; A376-C379 PolarHBondContact O-N 3.01Å; A376-S380 WeakPolarHBondContact O-CB 3.37Å; A376-S380 PolarHBondContact O-N 3.37Å; A376-L401 HydrophobicContact CB-CD1 4.11Å
377	T	95	Very high	95.7	Very high	40 Å²	40	20.9 Å²	20.9	25%	0.245	12%	0.123	C	C	.	.	H	α-helix	trans	-63.2	-47.3	175.4	-60.4	0	0	0	0	111.9	L36 T373 S374 C379 S380 Q381	L36-T377 HydrophobicContact CD2-CG2 4.2Å; T373-T377 WeakPolarHBondContact O-CB 3.31Å; T373-T377 PolarHBondContact O-N 3.34Å; T373-T377 PolarHBondContact O-OG1 2.84Å; S374-T377 PolarHBondContact O-N 3.04Å; T377-C379 VanDerWaalsContact C-N 3.32Å; T377-C379 PolarHBondContact O-N 3.22Å; T377-S380 WeakPolarHBondContact O-CB 3.47Å; T377-S380 PolarHBondContact O-N 2.9Å; T377-Q381 WeakPolarHBondContact O-CG 3.48Å; T377-Q381 PolarHBondContact O-N 2.86Å
378	L	94.5	Very high	95.8	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-40.2	176.5	-179.5	66.2	0	0	0	111.9	L34 L36 S374 A375 T382 L403 W408 M428	L34-L378 HydrophobicContact CD1-CD1 4.16Å; L36-L378 HydrophobicContact CD1-CB 4.32Å; L36-L378 HydrophobicContact CD1-CD1 4.47Å; S374-L378 WeakPolarHBondContact O-CB 3.2Å; S374-L378 PolarHBondContact O-N 2.64Å; A375-L378 PolarHBondContact O-N 2.92Å; L378-T382 VanDerWaalsContact O-CB 3.27Å; L378-T382 WeakPolarHBondContact O-CB 3.18Å; L378-T382 PolarHBondContact O-N 3.25Å; L378-T382 PolarHBondContact O-OG1 3.49Å; L378-L403 HydrophobicContact CD2-CD2 4.16Å; L378-W408 HydrophobicContact CD1-CH2 4.1Å; L378-W408 HydrophobicContact CD1-CZ2 4.36Å; L378-W408 HydrophobicContact CD2-CH2 3.78Å; L378-W408 HydrophobicContact CD2-CZ2 3.38Å; L378-M428 HydrophobicContact CD1-CE 3.87Å; L378-M428 HydrophobicContact CD2-CE 3.52Å; L378-M428 HydrophobicContact CG-CE 3.42Å; L378-M428 VanDerWaalsContact CG-CE 3.42Å
379	C	97.2	Very high	95.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.2	-43.2	175.6	-167.7	0	0	0	0	112.3	A375 A376 T377 Q381 T382 L383 C390 L401 M436	A375-C379 WeakPolarHBondContact O-CB 3.34Å; A375-C379 PolarHBondContact O-N 3.42Å; A376-C379 PolarHBondContact O-N 3.01Å; T377-C379 VanDerWaalsContact C-N 3.32Å; T377-C379 PolarHBondContact O-N 3.22Å; C379-Q381 VanDerWaalsContact C-N 3.32Å; C379-Q381 PolarHBondContact O-N 3.48Å; C379-T382 PolarHBondContact O-N 3.14Å; C379-L383 WeakPolarHBondContact O-CB 3.35Å; C379-L383 PolarHBondContact O-N 2.83Å; C379-C390 HydrophobicContact CB-CB 3.87Å; C379-C390 WeakPolarHBondContact CB-SG 3.01Å; C379-C390 PolarHBondContact O-SG 2.72Å; C379-C390 WeakPolarHBondContact SG-CB 3.48Å; C379-C390 CovalentContact SG-SG 2.03Å; C379-C390 PolarHBondContact SG-SG 3.06Å; C379-L401 HydrophobicContact CB-CD2 3.77Å; C379-M436 HydrophobicContact CB-CE 4.08Å; C379-M436 HydrophobicContact CB-CG 4.43Å; C379-M436 HydrophobicContact CB-SD 3.66Å; C379-M436 VanDerWaalsContact SG-CG 3.58Å
380	S	97.1	Very high	95.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-56.9	-44	173.7	-178.1	0	0	0	0	112.1	A376 T377 C384 S385 S386 G388	A376-S380 WeakPolarHBondContact O-CB 3.37Å; A376-S380 PolarHBondContact O-N 3.37Å; T377-S380 WeakPolarHBondContact O-CB 3.47Å; T377-S380 PolarHBondContact O-N 2.9Å; S380-C384 CarbonylContact O-C 3.47Å; S380-C384 VanDerWaalsContact O-CA 3.31Å; S380-C384 WeakPolarHBondContact O-CA 3.34Å; S380-C384 WeakPolarHBondContact O-CB 3.17Å; S380-C384 PolarHBondContact O-N 3.24Å; S380-S385 PolarHBondContact O-N 2.91Å; S380-S386 PolarHBondContact O-N 3.44Å; S380-G388 VanDerWaalsContact CB-O 3.29Å; S380-G388 WeakPolarHBondContact CB-O 3.43Å; S380-G388 PolarHBondContact OG-O 2.81Å
381	Q	94.9	Very high	96	Very high	71 Å²	71	20.5 Å²	20.5	33%	0.332	12%	0.118	S	C	.	.	H	α-helix	trans	-64.7	-44	174.6	-71	170.4	0.2	0	0	112.6	T377 C379 S386	T377-Q381 WeakPolarHBondContact O-CG 3.48Å; T377-Q381 PolarHBondContact O-N 2.86Å; C379-Q381 VanDerWaalsContact C-N 3.32Å; C379-Q381 PolarHBondContact O-N 3.48Å; Q381-S386 WeakPolarHBondContact CG-OG 3.03Å
382	T	94.4	Very high	96.1	Very high	39 Å²	39	19.3 Å²	19.3	24%	0.239	11%	0.111	C	C	.	.	H	α-helix	trans	-80.2	-35.9	-170.8	-54.9	0	0	0	0	113.5	L378 C379 M428 V433	L378-T382 VanDerWaalsContact O-CB 3.27Å; L378-T382 WeakPolarHBondContact O-CB 3.18Å; L378-T382 PolarHBondContact O-N 3.25Å; L378-T382 PolarHBondContact O-OG1 3.49Å; C379-T382 PolarHBondContact O-N 3.14Å; T382-M428 HydrophobicContact CG2-CE 4.22Å; T382-M428 HydrophobicContact CG2-SD 3.92Å; T382-V433 HydrophobicContact CG2-CG1 4.21Å; T382-V433 HydrophobicContact CG2-CG2 4.15Å
383	L	96.9	Very high	96.2	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-105.8	-40.8	-176.8	-56.6	-161.7	0	0	0	113.1	C379 M436 K437 F440 C442 N452	C379-L383 WeakPolarHBondContact O-CB 3.35Å; C379-L383 PolarHBondContact O-N 2.83Å; L383-M436 HydrophobicContact CD1-CG 4.04Å; L383-M436 HydrophobicContact CD2-CG 4.32Å; L383-M436 HydrophobicContact CG-CG 4.17Å; L383-M436 HydrophobicContact CG-SD 4.48Å; L383-K437 HydrophobicContact CD2-CB 4.46Å; L383-K437 HydrophobicContact CD2-CD 4.36Å; L383-K437 HydrophobicContact CD2-CG 3.39Å; L383-F440 HydrophobicContact CD1-CB 3.94Å; L383-C442 PolarHBondContact O-SG 3.17Å; L383-N452 WeakPolarHBondContact O-CA 3.33Å; L383-N452 VanDerWaalsContact O-CB 3.29Å; L383-N452 WeakPolarHBondContact O-CB 3.37Å
384	C	96.9	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-111.8	20.3	-161.8	-48.2	0	0	0	0	113.3	S380 S386 Q387 G388 C442 N452	S380-C384 CarbonylContact O-C 3.47Å; S380-C384 VanDerWaalsContact O-CA 3.31Å; S380-C384 WeakPolarHBondContact O-CA 3.34Å; S380-C384 WeakPolarHBondContact O-CB 3.17Å; S380-C384 PolarHBondContact O-N 3.24Å; C384-S386 PolarHBondContact O-N 3Å; C384-Q387 PolarHBondContact O-N 3.15Å; C384-G388 WeakPolarHBondContact CB-O 3.25Å; C384-G388 PolarHBondContact O-N 2.62Å; C384-C442 WeakPolarHBondContact CA-SG 3.15Å; C384-C442 HydrophobicContact CB-CB 3.81Å; C384-C442 WeakPolarHBondContact CB-SG 3.05Å; C384-C442 VanDerWaalsContact SG-CA 3.53Å; C384-C442 WeakPolarHBondContact SG-CB 3.45Å; C384-C442 CovalentContact SG-SG 2.04Å; C384-C442 PolarHBondContact SG-SG 3.2Å; C384-N452 CarbonylContact C-O 3.4Å; C384-N452 WeakPolarHBondContact CA-O 3.46Å
385	S	95.8	Very high	96.3	Very high	48 Å²	48	28.1 Å²	28.1	34%	0.336	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	21.5	177.1	-45.5	0	0	0	0	114.7	S380 Q387 N452 S454	S380-S385 PolarHBondContact O-N 2.91Å; S385-Q387 PolarHBondContact O-N 3.3Å; S385-N452 WeakPolarHBondContact CB-O 3.46Å; S385-N452 PolarHBondContact N-O 2.86Å; S385-N452 PolarHBondContact OG-O 2.94Å; S385-S454 WeakPolarHBondContact OG-CB 3.38Å
386	S	95.1	Very high	96.2	Very high	58 Å²	58	36.7 Å²	36.7	41%	0.406	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	12.5	-166.4	-48.2	0	0	0	0	115.6	S380 Q381 C384 Y445	S380-S386 PolarHBondContact O-N 3.44Å; Q381-S386 WeakPolarHBondContact CG-OG 3.03Å; C384-S386 PolarHBondContact O-N 3Å; S386-Y445 WeakPolarHBondContact O-CE2 3.13Å
387	Q	95.9	Very high	96.1	Very high	52 Å²	52	38.1 Å²	38.1	24%	0.243	21%	0.207	C	C	.	.	S	Bend	trans	-116	22.2	-177.3	-57.9	-59.9	-9.5	0	0	113.1	C384 S385 Y445 W448 C453	C384-Q387 PolarHBondContact O-N 3.15Å; S385-Q387 PolarHBondContact O-N 3.3Å; Q387-Y445 PolarHBondContact O-N 2.99Å; Q387-W448 HydrophobicContact CB-CB 4.22Å; Q387-W448 HydrophobicContact CB-CD2 3.69Å; Q387-W448 HydrophobicContact CB-CE3 4.14Å; Q387-W448 HydrophobicContact CB-CG 3.72Å; Q387-W448 VanDerWaalsContact CD-CZ2 3.43Å; Q387-W448 HydrophobicContact CG-CD2 3.68Å; Q387-W448 HydrophobicContact CG-CE3 3.95Å; Q387-W448 HydrophobicContact CG-CG 4.21Å; Q387-W448 HydrophobicContact CG-CH2 4.04Å; Q387-W448 HydrophobicContact CG-CZ2 3.76Å; Q387-W448 HydrophobicContact CG-CZ3 4.12Å; Q387-C453 HydrophobicContact CB-CB 3.95Å; Q387-C453 WeakPolarHBondContact CB-O 3.49Å; Q387-C453 WeakPolarHBondContact O-CB 3.26Å
388	G	95.4	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	166.5	176	0	0	0	0	0	112.9	S380 C384 R443	S380-G388 VanDerWaalsContact CB-O 3.29Å; S380-G388 WeakPolarHBondContact CB-O 3.43Å; S380-G388 PolarHBondContact OG-O 2.81Å; C384-G388 WeakPolarHBondContact CB-O 3.25Å; C384-G388 PolarHBondContact O-N 2.62Å; G388-R443 CarbonylContact C-O 3.2Å; G388-R443 VanDerWaalsContact CA-O 3.25Å; G388-R443 WeakPolarHBondContact CA-O 3.22Å
389	R	95.9	Very high	96.3	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.06	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	153.7	174.4	-53.5	-169.4	167.8	85.3	-1.6	110.3	F46 S47 A49 P50 C442 R443 Y445	F46-R389 PolarHBondContact O-NH2 3.46Å; S47-R389 PolarHBondContact O-NH1 3.07Å; S47-R389 PolarHBondContact O-NH2 3.46Å; A49-R389 PolarHBondContact O-NE 3.04Å; A49-R389 PolarHBondContact O-NH2 2.75Å; P50-R389 WeakPolarHBondContact O-CD 3.44Å; P50-R389 WeakPolarHBondContact O-CG 3.33Å; P50-R389 PolarHBondContact O-NE 3.36Å; R389-C442 WeakPolarHBondContact O-CA 3.34Å; R389-R443 PolarHBondContact N-O 3.39Å; R389-R443 PolarHBondContact O-N 3.37Å; R389-Y445 HydrophobicContact CG-CE1 3.66Å
390	C	97.8	Very high	96.3	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.2	165.6	-72.8	0	0	0	0	110.3	C379 L401 F440 H441	C379-C390 HydrophobicContact CB-CB 3.87Å; C379-C390 WeakPolarHBondContact CB-SG 3.01Å; C379-C390 PolarHBondContact O-SG 2.72Å; C379-C390 WeakPolarHBondContact SG-CB 3.48Å; C379-C390 CovalentContact SG-SG 2.03Å; C379-C390 PolarHBondContact SG-SG 3.06Å; C390-L401 HydrophobicContact CB-CD1 4.1Å; C390-L401 HydrophobicContact CB-CD2 4.17Å; C390-F440 HydrophobicContact CB-CB 4.02Å; C390-F440 HydrophobicContact CB-CD1 4.1Å; C390-F440 HydrophobicContact CB-CG 4.22Å; C390-H441 CarbonylContact C-O 3.6Å; C390-H441 WeakPolarHBondContact CA-O 3.5Å
391	Q	97.8	Very high	96.3	Very high	19 Å²	19	42.3 Å²	42.3	9%	0.089	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.6	175.3	-179.9	169.1	-1.9	0	0	108.8	L334 S393 F440 H441	L334-Q391 WeakPolarHBondContact O-CG 3.03Å; Q391-S393 PolarHBondContact O-N 2.7Å; Q391-F440 WeakPolarHBondContact O-CA 3.42Å; Q391-H441 PolarHBondContact N-O 3.41Å; Q391-H441 PolarHBondContact O-CE1 3.49Å; Q391-H441 PolarHBondContact O-N 3.31Å; Q391-H441 PolarHBondContact O-ND1 2.87Å
392	R	98.3	Very high	96.3	Very high	4 Å²	4	42 Å²	42	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	128.3	-177.1	-169.4	-169	-73.4	148.2	-1.8	110.6	E330 A333 D394 L395 S397 A399 D439 F440	E330-R392 IonicContact OE1-CZ 3.39Å; E330-R392 IonicContact OE1-NH1 2.68Å; E330-R392 PolarHBondContact OE1-NH1 2.87Å; E330-R392 IonicContact OE1-NH2 2.75Å; E330-R392 IonicContact OE2-CZ 3.14Å; E330-R392 IonicContact OE2-NH1 2.73Å; E330-R392 PolarHBondContact OE2-NH1 2.69Å; E330-R392 IonicContact OE2-NH2 3.64Å; E330-R392 PolarHBondContact OE2-NH2 2.92Å; A333-R392 VanDerWaalsContact CB-NH2 3.34Å; A333-R392 WeakPolarHBondContact O-CB 3.46Å; A333-R392 PolarHBondContact O-N 3.19Å; R392-D394 WeakPolarHBondContact CD-O 3.47Å; R392-D394 VanDerWaalsContact CG-O 3.22Å; R392-D394 WeakPolarHBondContact CG-O 3.28Å; R392-L395 PolarHBondContact NH1-O 3.31Å; R392-L395 VanDerWaalsContact NH1-O 3.1Å; R392-S397 WeakPolarHBondContact CD-O 3.46Å; R392-S397 WeakPolarHBondContact CD-OG 3.3Å; R392-S397 VanDerWaalsContact CZ-O 3.26Å; R392-S397 PolarHBondContact NE-O 3.25Å; R392-S397 PolarHBondContact NH1-O 3.43Å; R392-A399 HydrophobicContact CG-CB 4.44Å; R392-A399 VanDerWaalsContact CZ-O 3.27Å; R392-A399 PolarHBondContact NE-O 2.74Å; R392-A399 PolarHBondContact NH2-O 2.63Å; R392-D439 CarbonylContact C-O 3.09Å; R392-D439 WeakPolarHBondContact CA-O 3.38Å; R392-F440 HydrophobicContact CB-CD1 4.43Å; R392-F440 HydrophobicContact CB-CE1 4.17Å
393	S	97.4	Very high	96.3	Very high	58 Å²	58	40.5 Å²	40.5	41%	0.406	23%	0.232	S	C	.	.	S	Bend	trans	-72.7	-46.9	-173.1	-63.8	0	0	0	0	113.6	Q391 D439 F440 H441	Q391-S393 PolarHBondContact O-N 2.7Å; S393-D439 PolarHBondContact N-O 2.9Å; S393-D439 PolarHBondContact OG-O 2.96Å; S393-F440 WeakPolarHBondContact OG-CA 3.46Å; S393-F440 PolarHBondContact OG-N 3.25Å; S393-H441 PolarHBondContact OG-N 3.29Å
394	D	97.3	Very high	95.9	Very high	89 Å²	89	43.6 Å²	43.6	48%	0.476	25%	0.249	S	C	.	.	S	Bend	trans	-99.9	107.7	160.3	170.5	22.9	0	0	0	108.1	R392 K396 S397	R392-D394 WeakPolarHBondContact CD-O 3.47Å; R392-D394 VanDerWaalsContact CG-O 3.22Å; R392-D394 WeakPolarHBondContact CG-O 3.28Å; D394-K396 PolarHBondContact O-N 2.95Å; D394-K396 WeakPolarHBondContact OD1-CB 3.39Å; D394-K396 PolarHBondContact OD1-N 2.87Å; D394-S397 WeakPolarHBondContact O-CB 3.41Å; D394-S397 PolarHBondContact O-N 3.09Å; D394-S397 PolarHBondContact O-OG 2.76Å
395	L	94.7	Very high	95.6	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.325	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.5	-179.1	-57.9	172.6	0	0	0	112.6	H284 L288 L334 R392	H284-L395 PolarHBondContact CE1-O 3.06Å; H284-L395 VanDerWaalsContact CE1-O 3.25Å; L288-L395 HydrophobicContact CD2-CB 4.43Å; L288-L395 HydrophobicContact CD2-CD1 3.91Å; L288-L395 HydrophobicContact CD2-CD2 4.12Å; L288-L395 HydrophobicContact CD2-CG 4.38Å; L334-L395 HydrophobicContact CD2-CD2 3.98Å; R392-L395 PolarHBondContact NH1-O 3.31Å; R392-L395 VanDerWaalsContact NH1-O 3.1Å
396	K	93.9	Very high	95.2	Very high	183 Å²	183	49.8 Å²	49.8	80%	0.796	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.5	-179	-58.8	169.1	-172.9	162.3	0	114.3	D394	D394-K396 PolarHBondContact O-N 2.95Å; D394-K396 WeakPolarHBondContact OD1-CB 3.39Å; D394-K396 PolarHBondContact OD1-N 2.87Å
397	S	96.4	Very high	94.8	Very high	33 Å²	33	49 Å²	49	23%	0.231	29%	0.291	C	S	.	.	S	Bend	trans	-75.2	159.3	-179.3	95.1	0	0	0	0	111.7	R392 D394 A399	R392-S397 WeakPolarHBondContact CD-O 3.46Å; R392-S397 WeakPolarHBondContact CD-OG 3.3Å; R392-S397 VanDerWaalsContact CZ-O 3.26Å; R392-S397 PolarHBondContact NE-O 3.25Å; R392-S397 PolarHBondContact NH1-O 3.43Å; D394-S397 WeakPolarHBondContact O-CB 3.41Å; D394-S397 PolarHBondContact O-N 3.09Å; D394-S397 PolarHBondContact O-OG 2.76Å; S397-A399 PolarHBondContact O-N 2.76Å; S397-A399 WeakPolarHBondContact OG-CB 3.28Å; S397-A399 PolarHBondContact OG-N 3.12Å
398	G	95.1	Very high	94.6	Very high	68 Å²	68	47.2 Å²	47.2	70%	0.701	28%	0.282	S	S	*	.			trans	-82.7	17.9	176.7	0	0	0	0	0	114.8	Y400	G398-Y400 VanDerWaalsContact O-CD2 3.28Å; G398-Y400 WeakPolarHBondContact O-CD2 2.97Å
399	A	97.2	Very high	94.3	Very high	13 Å²	13	52.5 Å²	52.5	11%	0.107	31%	0.305	C	S	.	.			trans	-79.1	128.1	-175.4	0	0	0	0	0	112.1	R392 S397 D439 F440	R392-A399 HydrophobicContact CG-CB 4.44Å; R392-A399 VanDerWaalsContact CZ-O 3.27Å; R392-A399 PolarHBondContact NE-O 2.74Å; R392-A399 PolarHBondContact NH2-O 2.63Å; S397-A399 PolarHBondContact O-N 2.76Å; S397-A399 WeakPolarHBondContact OG-CB 3.28Å; S397-A399 PolarHBondContact OG-N 3.12Å; A399-D439 HydrophobicContact CB-CB 3.72Å; A399-F440 HydrophobicContact CB-CE2 4.25Å; A399-F440 HydrophobicContact CB-CZ 4.11Å
400	Y	97.8	Very high	93.9	Very high	47 Å²	47	54.1 Å²	54.1	18%	0.184	31%	0.314	C	S	.	.			trans	-122.4	150.6	178.2	-75	-96.1	0	0	0	111.6	L280 V325 E330 A333 G398 H402	L280-Y400 WeakPolarHBondContact CD1-OH 3.31Å; V325-Y400 HydrophobicContact CG1-CD1 4.03Å; V325-Y400 HydrophobicContact CG1-CE1 3.57Å; V325-Y400 HydrophobicContact CG1-CE2 4.25Å; V325-Y400 WeakPolarHBondContact O-CE1 3.14Å; E330-Y400 HydrophobicContact CB-CE1 4.19Å; E330-Y400 WeakPolarHBondContact OE2-CE1 3.27Å; E330-Y400 PolarHBondContact OE2-OH 3.25Å; A333-Y400 HydrophobicContact CB-CD1 4.3Å; G398-Y400 VanDerWaalsContact O-CD2 3.28Å; G398-Y400 WeakPolarHBondContact O-CD2 2.97Å; Y400-H402 VanDerWaalsContact C-N 3.29Å; Y400-H402 VanDerWaalsContact CB-CE1 3.42Å; Y400-H402 WeakPolarHBondContact CB-CE1 3.45Å; Y400-H402 WeakPolarHBondContact CB-ND1 3.44Å; Y400-H402 AromaticContact CD1-CE1 3.75Å; Y400-H402 AromaticContact CG-CE1 3.69Å; Y400-H402 PolarHBondContact O-N 3.14Å
401	L	97.1	Very high	93.3	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	33%	0.332	C	S	.	.			trans	-79.8	79.9	169.3	-65.2	172.2	0	0	0	109	A375 A376 C379 C390 F440	A375-L401 HydrophobicContact CB-CB 4.25Å; A375-L401 VanDerWaalsContact CB-O 3.3Å; A375-L401 WeakPolarHBondContact CB-O 3.33Å; A376-L401 HydrophobicContact CB-CD1 4.11Å; C379-L401 HydrophobicContact CB-CD2 3.77Å; C390-L401 HydrophobicContact CB-CD1 4.1Å; C390-L401 HydrophobicContact CB-CD2 4.17Å; L401-F440 HydrophobicContact CD1-CE1 4.31Å; L401-F440 HydrophobicContact CD2-CD1 4Å; L401-F440 HydrophobicContact CD2-CD2 4.07Å; L401-F440 HydrophobicContact CD2-CE1 3.75Å; L401-F440 HydrophobicContact CD2-CE2 3.81Å; L401-F440 HydrophobicContact CD2-CG 4.18Å; L401-F440 HydrophobicContact CD2-CZ 3.65Å; L401-F440 HydrophobicContact CG-CD1 4.3Å; L401-F440 HydrophobicContact CG-CE1 3.7Å; L401-F440 HydrophobicContact CG-CE2 4.44Å; L401-F440 HydrophobicContact CG-CZ 3.79Å
402	H	96.1	Very high	92.5	Very high	65 Å²	65	60.4 Å²	60.4	30%	0.301	35%	0.354	S	S	.	.			trans	-123.7	150	173.3	-63.6	145.2	0	0	0	111.4	Y368 N371 Y400	Y368-H402 AromaticContact CE2-NE2 3.7Å; Y368-H402 AromaticContact CZ-NE2 3.7Å; Y368-H402 PolarHBondContact OH-NE2 3.3Å; N371-H402 WeakPolarHBondContact OD1-CA 3.43Å; N371-H402 WeakPolarHBondContact OD1-CB 3.29Å; Y400-H402 VanDerWaalsContact C-N 3.29Å; Y400-H402 VanDerWaalsContact CB-CE1 3.42Å; Y400-H402 WeakPolarHBondContact CB-CE1 3.45Å; Y400-H402 WeakPolarHBondContact CB-ND1 3.44Å; Y400-H402 AromaticContact CD1-CE1 3.75Å; Y400-H402 AromaticContact CG-CE1 3.69Å; Y400-H402 PolarHBondContact O-N 3.14Å
403	L	92.9	Very high	91.6	Very high	7 Å²	7	64 Å²	64	4%	0.037	37%	0.371	C	S	.	.			trans	-78.6	120.7	169	-58.4	179.1	0	0	0	109.6	N371 A375 L378 W408 I410 V424	N371-L403 PolarHBondContact ND2-O 3.06Å; N371-L403 PolarHBondContact OD1-N 3.36Å; A375-L403 HydrophobicContact CB-CD2 3.94Å; A375-L403 HydrophobicContact CB-CG 4.18Å; L378-L403 HydrophobicContact CD2-CD2 4.16Å; L403-W408 HydrophobicContact CB-CB 3.88Å; L403-W408 HydrophobicContact CB-CG 3.98Å; L403-W408 HydrophobicContact CD1-CB 4.32Å; L403-W408 HydrophobicContact CD2-CD2 4.06Å; L403-W408 HydrophobicContact CD2-CE3 4.5Å; L403-W408 HydrophobicContact CD2-CG 4.1Å; L403-W408 HydrophobicContact CG-CG 4.44Å; L403-I410 HydrophobicContact CD1-CD1 4.42Å; L403-I410 HydrophobicContact CD1-CG1 4.33Å; L403-V424 HydrophobicContact CD1-CG1 3.57Å; L403-V424 HydrophobicContact CD1-CG2 4.25Å
404	D	89.8	Confident	90.4	Very high	85 Å²	85	70 Å²	70	46%	0.455	39%	0.389	S	S	.	.			trans	-61.5	120.2	172.5	174.6	6.3	0	0	0	110.6	A406 A407 W408	D404-A406 PolarHBondContact O-N 2.94Å; D404-A406 VanDerWaalsContact O-N 3.14Å; D404-A406 WeakPolarHBondContact OD1-CB 3.5Å; D404-A406 PolarHBondContact OD1-N 3.15Å; D404-A407 PolarHBondContact O-N 3.11Å; D404-W408 WeakPolarHBondContact O-CB 3.4Å; D404-W408 PolarHBondContact O-N 3.49Å
405	P	89.3	Confident	88.8	Confident	97 Å²	97	68.8 Å²	68.8	63%	0.63	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-9.7	178.9	29.4	-37	0	0	0	114.3	K409	P405-K409 PolarHBondContact O-NZ 3.42Å
406	A	87.9	Confident	87	Confident	80 Å²	80	72.4 Å²	72.4	66%	0.661	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-49	169.1	0	0	0	0	0	111.5	D404	D404-A406 PolarHBondContact O-N 2.94Å; D404-A406 VanDerWaalsContact O-N 3.14Å; D404-A406 WeakPolarHBondContact OD1-CB 3.5Å; D404-A406 PolarHBondContact OD1-N 3.15Å
407	A	87	Confident	85.3	Confident	41 Å²	41	68.2 Å²	68.2	34%	0.339	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-22.7	-177	0	0	0	0	0	114.7	D404 G426	D404-A407 PolarHBondContact O-N 3.11Å; A407-G426 VanDerWaalsContact O-CA 3.31Å; A407-G426 WeakPolarHBondContact O-CA 3.28Å
408	W	91	Very high	83.4	Confident	16 Å²	16	68.9 Å²	68.9	6%	0.061	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.8	-173.8	-58.2	88.6	0	0	0	112.6	L378 L403 D404 V424 L425 G426 M428	L378-W408 HydrophobicContact CD1-CH2 4.1Å; L378-W408 HydrophobicContact CD1-CZ2 4.36Å; L378-W408 HydrophobicContact CD2-CH2 3.78Å; L378-W408 HydrophobicContact CD2-CZ2 3.38Å; L403-W408 HydrophobicContact CB-CB 3.88Å; L403-W408 HydrophobicContact CB-CG 3.98Å; L403-W408 HydrophobicContact CD1-CB 4.32Å; L403-W408 HydrophobicContact CD2-CD2 4.06Å; L403-W408 HydrophobicContact CD2-CE3 4.5Å; L403-W408 HydrophobicContact CD2-CG 4.1Å; L403-W408 HydrophobicContact CG-CG 4.44Å; D404-W408 WeakPolarHBondContact O-CB 3.4Å; D404-W408 PolarHBondContact O-N 3.49Å; W408-V424 HydrophobicContact CE3-CG1 3.69Å; W408-V424 HydrophobicContact CZ3-CG1 4.18Å; W408-L425 CarbonylContact C-O 3.5Å; W408-L425 WeakPolarHBondContact CA-O 3.42Å; W408-G426 VanDerWaalsContact CE3-CA 3.43Å; W408-M428 HydrophobicContact CZ2-CB 4.22Å
409	K	90.1	Very high	81.8	Confident	111 Å²	111	67.8 Å²	67.8	48%	0.483	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.8	173	-54.5	-60.6	169.6	-163.8	0	109.3	P405 L411 L425	P405-K409 PolarHBondContact O-NZ 3.42Å; K409-L411 HydrophobicContact CB-CD2 4.2Å; K409-L411 HydrophobicContact CB-CG 4.39Å; K409-L425 PolarHBondContact N-O 2.97Å; K409-L425 PolarHBondContact O-N 3.12Å
410	I	87.1	Confident	80.4	Confident	50 Å²	50	69.1 Å²	69.1	26%	0.256	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.9	168.3	-64.2	170.9	0	0	0	105.9	V370 N371 L403 Y422 V424	V370-I410 HydrophobicContact CG1-CD1 4.24Å; V370-I410 HydrophobicContact CG1-CG1 4.33Å; V370-I410 HydrophobicContact CG1-CG2 3.89Å; N371-I410 HydrophobicContact CB-CD1 3.72Å; L403-I410 HydrophobicContact CD1-CD1 4.42Å; L403-I410 HydrophobicContact CD1-CG1 4.33Å; I410-Y422 HydrophobicContact CG2-CD1 3.43Å; I410-Y422 VanDerWaalsContact CG2-CD1 3.43Å; I410-Y422 HydrophobicContact CG2-CE1 4Å; I410-Y422 HydrophobicContact CG2-CG 4.28Å; I410-V424 HydrophobicContact CG1-CG2 4.33Å
411	L	85	Confident	79.3	Confident	77 Å²	77	70 Å²	70	40%	0.403	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	140	-179.9	-58.8	-175.3	0	0	0	110.2	K409 Y422 R423 L425	K409-L411 HydrophobicContact CB-CD2 4.2Å; K409-L411 HydrophobicContact CB-CG 4.39Å; L411-Y422 CarbonylContact O-C 3.56Å; L411-Y422 WeakPolarHBondContact O-CA 3.28Å; L411-Y422 WeakPolarHBondContact O-CD1 3.49Å; L411-R423 PolarHBondContact N-O 3.05Å; L411-R423 PolarHBondContact O-N 3.18Å; L411-L425 HydrophobicContact CD1-CD1 3.73Å
412	S	81.8	Confident	78.5	Confident	77 Å²	77	71.4 Å²	71.4	54%	0.538	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.9	165.8	40.7	0	0	0	0	110.2	N421	S412-N421 WeakPolarHBondContact CA-O 3.45Å
413	E	78.4	Confident	77.9	Confident	80 Å²	80	71.4 Å²	71.4	37%	0.374	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.7	174.6	-67	-174.7	169.8	0	0	108.8	N415 N421 R423	E413-N415 PolarHBondContact O-N 3.33Å; E413-N421 PolarHBondContact N-O 3.05Å; E413-N421 PolarHBondContact O-N 3.1Å; E413-R423 VanDerWaalsContact CD-CD 3.44Å; E413-R423 HydrophobicContact CG-CB 4.49Å; E413-R423 WeakPolarHBondContact OE1-CD 3.35Å; E413-R423 IonicContact OE1-CZ 3.67Å; E413-R423 IonicContact OE1-NE 3.81Å; E413-R423 IonicContact OE1-NH1 2.74Å; E413-R423 PolarHBondContact OE1-NH1 3.03Å; E413-R423 WeakPolarHBondContact OE2-CD 3.46Å; E413-R423 IonicContact OE2-NH1 3.52Å
414	K	73.4	Confident	77.6	Confident	183 Å²	183	71 Å²	71	80%	0.796	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.7	174	-72.4	-167.6	175.4	-171.5	0	109.9
415	N	63.8	Low	77.4	Confident	64 Å²	64	69.7 Å²	69.7	34%	0.342	42%	0.419	S	S	.	.			trans	-72.4	131.8	179.1	173.1	2.2	0	0	0	109.7	E413 A417 G418 G419	E413-N415 PolarHBondContact O-N 3.33Å; N415-A417 PolarHBondContact O-N 3.43Å; N415-A417 VanDerWaalsContact O-N 3.09Å; N415-A417 PolarHBondContact OD1-N 3.5Å; N415-G418 VanDerWaalsContact CB-O 3.3Å; N415-G418 WeakPolarHBondContact CB-O 3.14Å; N415-G418 PolarHBondContact ND2-O 2.67Å; N415-G418 PolarHBondContact O-N 2.9Å; N415-G419 PolarHBondContact N-O 3.47Å
416	P	56.3	Low	77.3	Confident	139 Å²	139	66.5 Å²	66.5	90%	0.903	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.5	175.6	-28.7	36.2	0	0	0	115.5
417	A	58.9	Low	77	Confident	94 Å²	94	66.6 Å²	66.6	78%	0.777	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.5	175.9	0	0	0	0	0	114.3	N415	N415-A417 PolarHBondContact O-N 3.43Å; N415-A417 VanDerWaalsContact O-N 3.09Å; N415-A417 PolarHBondContact OD1-N 3.5Å
418	G	55.5	Low	76.9	Confident	47 Å²	47	65.4 Å²	65.4	49%	0.485	38%	0.378	S	S	.	.	S	Bend	trans	99.3	157.3	-166.7	0	0	0	0	0	112.4	N415	N415-G418 VanDerWaalsContact CB-O 3.3Å; N415-G418 WeakPolarHBondContact CB-O 3.14Å; N415-G418 PolarHBondContact ND2-O 2.67Å; N415-G418 PolarHBondContact O-N 2.9Å
419	G	61.7	Low	76.6	Confident	46 Å²	46	68.8 Å²	68.8	47%	0.474	40%	0.397	S	S	.	.	S	Bend	trans	84.1	178.9	-169.8	0	0	0	0	0	113.6	N415	N415-G419 PolarHBondContact N-O 3.47Å
420	T	67.1	Low	76.6	Confident	40 Å²	40	66.2 Å²	66.2	25%	0.245	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.9	176.1	-56.5	0	0	0	0	108.5	M74	M74-T420 WeakPolarHBondContact CB-O 3.44Å; M74-T420 VanDerWaalsContact CG-O 3.3Å; M74-T420 WeakPolarHBondContact CG-O 3.38Å; M74-T420 WeakPolarHBondContact SD-CB 3.38Å; M74-T420 HydrophobicContact SD-CG2 3.64Å
421	N	75.3	Confident	76.8	Confident	66 Å²	66	69.7 Å²	69.7	35%	0.353	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.3	173	-81.8	-21	0	0	0	109.2	S412 E413	S412-N421 WeakPolarHBondContact CA-O 3.45Å; E413-N421 PolarHBondContact N-O 3.05Å; E413-N421 PolarHBondContact O-N 3.1Å
422	Y	80	Confident	77	Confident	34 Å²	34	67.9 Å²	67.9	13%	0.133	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.8	167.1	-77.2	-85.3	0	0	0	112.5	S38 M74 F75 V370 I410 L411	S38-Y422 PolarHBondContact OG-O 2.7Å; M74-Y422 HydrophobicContact CG-CD2 3.48Å; M74-Y422 VanDerWaalsContact CG-CD2 3.48Å; M74-Y422 HydrophobicContact CG-CE2 3.66Å; M74-Y422 HydrophobicContact SD-CD2 3.89Å; M74-Y422 HydrophobicContact SD-CE2 3.5Å; M74-Y422 WeakPolarHBondContact SD-CE2 3.49Å; F75-Y422 AromaticContact CD1-CD2 3.78Å; F75-Y422 HydrophobicContact CD1-CD2 3.78Å; F75-Y422 AromaticContact CD1-CE2 3.59Å; F75-Y422 HydrophobicContact CD1-CE2 3.59Å; F75-Y422 AromaticContact CE1-CD2 3.81Å; F75-Y422 HydrophobicContact CE1-CD2 3.81Å; F75-Y422 AromaticContact CE1-CE2 3.1Å; F75-Y422 HydrophobicContact CE1-CE2 3.1Å; F75-Y422 AromaticContact CE1-CZ 3.77Å; F75-Y422 AromaticContact CZ-CE2 3.83Å; F75-Y422 HydrophobicContact CZ-CE2 3.83Å; V370-Y422 HydrophobicContact CG2-CD2 4.42Å; V370-Y422 HydrophobicContact CG2-CG 4.28Å; I410-Y422 HydrophobicContact CG2-CD1 3.43Å; I410-Y422 VanDerWaalsContact CG2-CD1 3.43Å; I410-Y422 HydrophobicContact CG2-CE1 4Å; I410-Y422 HydrophobicContact CG2-CG 4.28Å; L411-Y422 CarbonylContact O-C 3.56Å; L411-Y422 WeakPolarHBondContact O-CA 3.28Å; L411-Y422 WeakPolarHBondContact O-CD1 3.49Å
423	R	82.8	Confident	77.4	Confident	65 Å²	65	65.8 Å²	65.8	25%	0.245	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.7	174.1	-171.6	-178.7	-174.4	179	5.2	110.3	L411 E413 L425	L411-R423 PolarHBondContact N-O 3.05Å; L411-R423 PolarHBondContact O-N 3.18Å; E413-R423 VanDerWaalsContact CD-CD 3.44Å; E413-R423 HydrophobicContact CG-CB 4.49Å; E413-R423 WeakPolarHBondContact OE1-CD 3.35Å; E413-R423 IonicContact OE1-CZ 3.67Å; E413-R423 IonicContact OE1-NE 3.81Å; E413-R423 IonicContact OE1-NH1 2.74Å; E413-R423 PolarHBondContact OE1-NH1 3.03Å; E413-R423 WeakPolarHBondContact OE2-CD 3.46Å; E413-R423 IonicContact OE2-NH1 3.52Å; R423-L425 HydrophobicContact CG-CD2 4.2Å; R423-L425 HydrophobicContact CG-CG 4.38Å
424	V	86.9	Confident	78.1	Confident	0 Å²	0	67 Å²	67	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.3	177.7	177.3	0	0	0	0	109.5	L36 V370 S374 L403 W408 I410	L36-V424 HydrophobicContact CB-CB 4.17Å; L36-V424 HydrophobicContact CB-CG1 4.48Å; L36-V424 PolarHBondContact O-N 3.09Å; V370-V424 HydrophobicContact CG1-CG2 3.99Å; S374-V424 WeakPolarHBondContact OG-CG2 3.46Å; L403-V424 HydrophobicContact CD1-CG1 3.57Å; L403-V424 HydrophobicContact CD1-CG2 4.25Å; W408-V424 HydrophobicContact CE3-CG1 3.69Å; W408-V424 HydrophobicContact CZ3-CG1 4.18Å; I410-V424 HydrophobicContact CG1-CG2 4.33Å
425	L	86.4	Confident	79.1	Confident	57 Å²	57	62.7 Å²	62.7	30%	0.298	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.3	177.1	-64.6	-175.7	0	0	0	110.3	W408 K409 L411 R423	W408-L425 CarbonylContact C-O 3.5Å; W408-L425 WeakPolarHBondContact CA-O 3.42Å; K409-L425 PolarHBondContact N-O 2.97Å; K409-L425 PolarHBondContact O-N 3.12Å; L411-L425 HydrophobicContact CD1-CD1 3.73Å; R423-L425 HydrophobicContact CG-CD2 4.2Å; R423-L425 HydrophobicContact CG-CG 4.38Å
426	G	86.3	Confident	80.6	Confident	30 Å²	30	61.1 Å²	61.1	31%	0.309	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171	-173.1	177.2	0	0	0	0	0	110.1	A407 W408	A407-G426 VanDerWaalsContact O-CA 3.31Å; A407-G426 WeakPolarHBondContact O-CA 3.28Å; W408-G426 VanDerWaalsContact CE3-CA 3.43Å
427	Q	83.1	Confident	82.4	Confident	82 Å²	82	60.4 Å²	60.4	38%	0.383	35%	0.354	S	S	.	.			trans	-150.2	138.5	174.5	-179.1	170.8	-16.4	0	0	108.5
428	M	83.1	Confident	84.2	Confident	15 Å²	15	59.8 Å²	59.8	7%	0.074	34%	0.344	C	S	.	.			trans	-79.9	128.6	172.1	-163.2	-177	-62	0	0	109.5	L378 T382 W408 S432 V433 M436	L378-M428 HydrophobicContact CD1-CE 3.87Å; L378-M428 HydrophobicContact CD2-CE 3.52Å; L378-M428 HydrophobicContact CG-CE 3.42Å; L378-M428 VanDerWaalsContact CG-CE 3.42Å; T382-M428 HydrophobicContact CG2-CE 4.22Å; T382-M428 HydrophobicContact CG2-SD 3.92Å; W408-M428 HydrophobicContact CZ2-CB 4.22Å; M428-S432 VanDerWaalsContact CG-CB 3.43Å; M428-V433 HydrophobicContact CG-CG2 3.91Å; M428-V433 HydrophobicContact SD-CB 4.1Å; M428-V433 HydrophobicContact SD-CG2 3.34Å; M428-V433 WeakPolarHBondContact SD-CG2 3.47Å; M428-M436 HydrophobicContact CE-CE 3.6Å; M428-M436 HydrophobicContact CE-SD 3.68Å; M428-M436 HydrophobicContact SD-SD 4.38Å
429	D	86.5	Confident	86.3	Confident	87 Å²	87	59.4 Å²	59.4	47%	0.465	33%	0.331	S	S	.	.			trans	-89.5	171.5	171.2	73	5.8	0	0	0	112.1	Q431 S432 V433	D429-Q431 VanDerWaalsContact C-N 3.26Å; D429-Q431 PolarHBondContact O-N 3.02Å; D429-Q431 PolarHBondContact OD1-N 3.45Å; D429-S432 PolarHBondContact O-N 3.25Å; D429-S432 WeakPolarHBondContact OD1-CB 3.29Å; D429-S432 PolarHBondContact OD1-N 3Å; D429-S432 PolarHBondContact OD1-OG 2.99Å; D429-V433 WeakPolarHBondContact O-CG2 3.06Å; D429-V433 PolarHBondContact O-N 2.85Å; D429-V433 VanDerWaalsContact O-N 3.1Å
430	A	89.7	Confident	88	Confident	58 Å²	58	57.8 Å²	57.8	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-31.3	-177.5	0	0	0	0	0	113.1	L434	A430-L434 WeakPolarHBondContact O-CG 3.46Å; A430-L434 PolarHBondContact O-N 3.13Å; A430-L434 VanDerWaalsContact O-N 3.11Å
431	Q	90.1	Very high	89.5	Confident	122 Å²	122	59.8 Å²	59.8	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-71.8	-40.2	179.1	-175.8	58.5	30	0	0	111.2	D429 L434 Q435	D429-Q431 VanDerWaalsContact C-N 3.26Å; D429-Q431 PolarHBondContact O-N 3.02Å; D429-Q431 PolarHBondContact OD1-N 3.45Å; Q431-L434 PolarHBondContact O-N 2.86Å; Q431-Q435 PolarHBondContact O-N 3.25Å
432	S	89.1	Confident	90.5	Very high	39 Å²	39	57.6 Å²	57.6	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174.4	-57.2	0	0	0	0	111.7	M428 D429 L434 Q435 M436	M428-S432 VanDerWaalsContact CG-CB 3.43Å; D429-S432 PolarHBondContact O-N 3.25Å; D429-S432 WeakPolarHBondContact OD1-CB 3.29Å; D429-S432 PolarHBondContact OD1-N 3Å; D429-S432 PolarHBondContact OD1-OG 2.99Å; S432-L434 VanDerWaalsContact C-N 3.33Å; S432-L434 PolarHBondContact O-N 3.31Å; S432-Q435 PolarHBondContact O-N 3.03Å; S432-M436 WeakPolarHBondContact O-CB 3.4Å; S432-M436 PolarHBondContact O-N 3.2Å
433	V	90.9	Very high	91.2	Very high	33 Å²	33	57.5 Å²	57.5	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-42.5	172.3	175	0	0	0	0	111.2	T382 M428 D429 K437	T382-V433 HydrophobicContact CG2-CG1 4.21Å; T382-V433 HydrophobicContact CG2-CG2 4.15Å; M428-V433 HydrophobicContact CG-CG2 3.91Å; M428-V433 HydrophobicContact SD-CB 4.1Å; M428-V433 HydrophobicContact SD-CG2 3.34Å; M428-V433 WeakPolarHBondContact SD-CG2 3.47Å; D429-V433 WeakPolarHBondContact O-CG2 3.06Å; D429-V433 PolarHBondContact O-N 2.85Å; D429-V433 VanDerWaalsContact O-N 3.1Å; V433-K437 HydrophobicContact CG1-CD 4.03Å; V433-K437 WeakPolarHBondContact O-CB 3.1Å; V433-K437 VanDerWaalsContact O-CG 3.26Å; V433-K437 WeakPolarHBondContact O-CG 3.49Å; V433-K437 PolarHBondContact O-N 2.96Å; V433-K437 VanDerWaalsContact O-N 3.07Å
434	L	93.8	Very high	91.8	Very high	106 Å²	106	55.9 Å²	55.9	56%	0.555	31%	0.305	S	S	*	.	H	α-helix	trans	-70.3	-41.9	-179.8	-72.1	170.6	0	0	0	112.3	A430 Q431 S432 K437 S438	A430-L434 WeakPolarHBondContact O-CG 3.46Å; A430-L434 PolarHBondContact O-N 3.13Å; A430-L434 VanDerWaalsContact O-N 3.11Å; Q431-L434 PolarHBondContact O-N 2.86Å; S432-L434 VanDerWaalsContact C-N 3.33Å; S432-L434 PolarHBondContact O-N 3.31Å; L434-K437 PolarHBondContact O-N 3.26Å; L434-S438 PolarHBondContact O-N 2.75Å; L434-S438 VanDerWaalsContact O-N 3.09Å
435	Q	93.6	Very high	92.1	Very high	92 Å²	92	56 Å²	56	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-62.4	-47.6	175.5	-171.5	61	44.9	0	0	110.8	Q431 S432 K437 S438 D439	Q431-Q435 PolarHBondContact O-N 3.25Å; S432-Q435 PolarHBondContact O-N 3.03Å; Q435-K437 VanDerWaalsContact C-N 3.28Å; Q435-K437 PolarHBondContact O-N 2.99Å; Q435-S438 WeakPolarHBondContact O-CA 3.14Å; Q435-S438 WeakPolarHBondContact O-CB 3.35Å; Q435-S438 PolarHBondContact O-N 2.97Å; Q435-D439 VanDerWaalsContact NE2-CG 3.26Å; Q435-D439 PolarHBondContact NE2-OD1 2.94Å; Q435-D439 VanDerWaalsContact NE2-OD1 3.1Å; Q435-D439 PolarHBondContact NE2-OD2 3.11Å; Q435-D439 PolarHBondContact O-N 2.99Å
436	M	95.1	Very high	92.3	Very high	32 Å²	32	55.9 Å²	55.9	16%	0.158	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-37	177	-171.3	175	-80	0	0	112.3	C379 L383 M428 S432 S438 F440	C379-M436 HydrophobicContact CB-CE 4.08Å; C379-M436 HydrophobicContact CB-CG 4.43Å; C379-M436 HydrophobicContact CB-SD 3.66Å; C379-M436 VanDerWaalsContact SG-CG 3.58Å; L383-M436 HydrophobicContact CD1-CG 4.04Å; L383-M436 HydrophobicContact CD2-CG 4.32Å; L383-M436 HydrophobicContact CG-CG 4.17Å; L383-M436 HydrophobicContact CG-SD 4.48Å; M428-M436 HydrophobicContact CE-CE 3.6Å; M428-M436 HydrophobicContact CE-SD 3.68Å; M428-M436 HydrophobicContact SD-SD 4.38Å; S432-M436 WeakPolarHBondContact O-CB 3.4Å; S432-M436 PolarHBondContact O-N 3.2Å; M436-S438 VanDerWaalsContact C-N 3.34Å; M436-F440 HydrophobicContact CG-CD2 4.39Å; M436-F440 PolarHBondContact O-N 2.81Å
437	K	95.4	Very high	92.5	Very high	123 Å²	123	55.9 Å²	55.9	54%	0.535	31%	0.308	S	S	.	.	H	α-helix	trans	-69.8	-22.9	173.1	-78.6	172.7	-178.7	172.6	0	114.9	L383 V433 L434 Q435	L383-K437 HydrophobicContact CD2-CB 4.46Å; L383-K437 HydrophobicContact CD2-CD 4.36Å; L383-K437 HydrophobicContact CD2-CG 3.39Å; V433-K437 HydrophobicContact CG1-CD 4.03Å; V433-K437 WeakPolarHBondContact O-CB 3.1Å; V433-K437 VanDerWaalsContact O-CG 3.26Å; V433-K437 WeakPolarHBondContact O-CG 3.49Å; V433-K437 PolarHBondContact O-N 2.96Å; V433-K437 VanDerWaalsContact O-N 3.07Å; L434-K437 PolarHBondContact O-N 3.26Å; Q435-K437 VanDerWaalsContact C-N 3.28Å; Q435-K437 PolarHBondContact O-N 2.99Å
438	S	96.7	Very high	93	Very high	81 Å²	81	55.5 Å²	55.5	57%	0.566	30%	0.303	S	S	*	.	H	α-helix	trans	-79.2	-47.1	172.8	179.5	0	0	0	0	110.3	L434 Q435 M436	L434-S438 PolarHBondContact O-N 2.75Å; L434-S438 VanDerWaalsContact O-N 3.09Å; Q435-S438 WeakPolarHBondContact O-CA 3.14Å; Q435-S438 WeakPolarHBondContact O-CB 3.35Å; Q435-S438 PolarHBondContact O-N 2.97Å; M436-S438 VanDerWaalsContact C-N 3.34Å
439	D	97.9	Very high	93.4	Very high	39 Å²	39	55.6 Å²	55.6	21%	0.209	31%	0.308	C	S	.	.	H	α-helix	trans	-81.9	-24.3	-168.8	-65.3	-19.4	0	0	0	113.9	R392 S393 A399 Q435	R392-D439 CarbonylContact C-O 3.09Å; R392-D439 WeakPolarHBondContact CA-O 3.38Å; S393-D439 PolarHBondContact N-O 2.9Å; S393-D439 PolarHBondContact OG-O 2.96Å; A399-D439 HydrophobicContact CB-CB 3.72Å; Q435-D439 VanDerWaalsContact NE2-CG 3.26Å; Q435-D439 PolarHBondContact NE2-OD1 2.94Å; Q435-D439 VanDerWaalsContact NE2-OD1 3.1Å; Q435-D439 PolarHBondContact NE2-OD2 3.11Å; Q435-D439 PolarHBondContact O-N 2.99Å
440	F	98.5	Very high	93.8	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.053	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.2	-174.2	-60.7	-85.7	0	0	0	113.7	A333 L383 C390 Q391 R392 S393 A399 L401 M436	A333-F440 HydrophobicContact CB-CE1 4.4Å; L383-F440 HydrophobicContact CD1-CB 3.94Å; C390-F440 HydrophobicContact CB-CB 4.02Å; C390-F440 HydrophobicContact CB-CD1 4.1Å; C390-F440 HydrophobicContact CB-CG 4.22Å; Q391-F440 WeakPolarHBondContact O-CA 3.42Å; R392-F440 HydrophobicContact CB-CD1 4.43Å; R392-F440 HydrophobicContact CB-CE1 4.17Å; S393-F440 WeakPolarHBondContact OG-CA 3.46Å; S393-F440 PolarHBondContact OG-N 3.25Å; A399-F440 HydrophobicContact CB-CE2 4.25Å; A399-F440 HydrophobicContact CB-CZ 4.11Å; L401-F440 HydrophobicContact CD1-CE1 4.31Å; L401-F440 HydrophobicContact CD2-CD1 4Å; L401-F440 HydrophobicContact CD2-CD2 4.07Å; L401-F440 HydrophobicContact CD2-CE1 3.75Å; L401-F440 HydrophobicContact CD2-CE2 3.81Å; L401-F440 HydrophobicContact CD2-CG 4.18Å; L401-F440 HydrophobicContact CD2-CZ 3.65Å; L401-F440 HydrophobicContact CG-CD1 4.3Å; L401-F440 HydrophobicContact CG-CE1 3.7Å; L401-F440 HydrophobicContact CG-CE2 4.44Å; L401-F440 HydrophobicContact CG-CZ 3.79Å; M436-F440 HydrophobicContact CG-CD2 4.39Å; M436-F440 PolarHBondContact O-N 2.81Å
441	H	97.7	Very high	94	Very high	82 Å²	82	62.5 Å²	62.5	38%	0.38	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	173.8	168.3	67.7	-77.9	0	0	0	110.1	C390 Q391 S393	C390-H441 CarbonylContact C-O 3.6Å; C390-H441 WeakPolarHBondContact CA-O 3.5Å; Q391-H441 PolarHBondContact N-O 3.41Å; Q391-H441 PolarHBondContact O-CE1 3.49Å; Q391-H441 PolarHBondContact O-N 3.31Å; Q391-H441 PolarHBondContact O-ND1 2.87Å; S393-H441 PolarHBondContact OG-N 3.29Å
442	C	97.2	Very high	94.2	Very high	21 Å²	21	59.9 Å²	59.9	14%	0.142	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.8	-173.6	-65.1	0	0	0	0	114	L383 C384 R389	L383-C442 PolarHBondContact O-SG 3.17Å; C384-C442 WeakPolarHBondContact CA-SG 3.15Å; C384-C442 HydrophobicContact CB-CB 3.81Å; C384-C442 WeakPolarHBondContact CB-SG 3.05Å; C384-C442 VanDerWaalsContact SG-CA 3.53Å; C384-C442 WeakPolarHBondContact SG-CB 3.45Å; C384-C442 CovalentContact SG-SG 2.04Å; C384-C442 PolarHBondContact SG-SG 3.2Å; R389-C442 WeakPolarHBondContact O-CA 3.34Å
443	R	94.9	Very high	94.6	Very high	32 Å²	32	58 Å²	58	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	101.9	166.7	-177.2	-175.8	-175.2	85.9	-3.3	108.1	D295 Q301 G388 R389	D295-R443 IonicContact OD1-CZ 3.13Å; D295-R443 IonicContact OD1-NH1 2.78Å; D295-R443 PolarHBondContact OD1-NH1 3.05Å; D295-R443 IonicContact OD1-NH2 4Å; D295-R443 PolarHBondContact OD1-NH2 3.31Å; D295-R443 IonicContact OD2-NH1 3.39Å; D295-R443 PolarHBondContact OD2-NH1 3.02Å; Q301-R443 VanDerWaalsContact CB-NH2 3.28Å; G388-R443 CarbonylContact C-O 3.2Å; G388-R443 VanDerWaalsContact CA-O 3.25Å; G388-R443 WeakPolarHBondContact CA-O 3.22Å; R389-R443 PolarHBondContact N-O 3.39Å; R389-R443 PolarHBondContact O-N 3.37Å
444	C	94.6	Very high	94.8	Very high	30 Å²	30	59.3 Å²	59.3	20%	0.203	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	154.4	-170.4	-55.3	0	0	0	0	113.6	W448 C453	C444-W448 HydrophobicContact CB-CB 4.17Å; C444-W448 WeakPolarHBondContact CB-O 3.48Å; C444-C453 WeakPolarHBondContact CA-SG 3.23Å; C444-C453 HydrophobicContact CB-CB 3.79Å; C444-C453 WeakPolarHBondContact CB-SG 3.5Å; C444-C453 WeakPolarHBondContact SG-CA 3.45Å; C444-C453 WeakPolarHBondContact SG-CB 3.36Å; C444-C453 CovalentContact SG-SG 2.04Å; C444-C453 PolarHBondContact SG-SG 3.19Å
445	Y	93.9	Very high	94.9	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-74.3	157.4	170.9	-58.1	-36	0	0	0	111.1	Q48 P50 S386 Q387 R389 G447 W448	Q48-Y445 HydrophobicContact CB-CD2 4.03Å; Q48-Y445 HydrophobicContact CB-CE2 4.19Å; Q48-Y445 HydrophobicContact CB-CG 4.31Å; Q48-Y445 HydrophobicContact CG-CD2 4.19Å; Q48-Y445 HydrophobicContact CG-CG 4.16Å; Q48-Y445 WeakPolarHBondContact O-CE2 3.5Å; Q48-Y445 PolarHBondContact O-OH 3.1Å; P50-Y445 WeakPolarHBondContact CA-OH 3.21Å; S386-Y445 WeakPolarHBondContact O-CE2 3.13Å; Q387-Y445 PolarHBondContact O-N 2.99Å; R389-Y445 HydrophobicContact CG-CE1 3.66Å; Y445-G447 PolarHBondContact O-N 3.4Å; Y445-W448 PolarHBondContact O-N 2.97Å
446	P	89.7	Confident	94.8	Very high	54 Å²	54	58.3 Å²	58.3	35%	0.351	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	132.9	171.7	-27.7	35.9	0	0	0	112.1	W300	W300-P446 HydrophobicContact CB-CG 4.29Å; W300-P446 HydrophobicContact CD2-CB 3.82Å; W300-P446 HydrophobicContact CD2-CG 4.46Å; W300-P446 HydrophobicContact CE3-CB 4.19Å; W300-P446 HydrophobicContact CG-CB 3.95Å; W300-P446 HydrophobicContact CG-CG 4.24Å
447	G	90.5	Very high	94.1	Very high	29 Å²	29	62.2 Å²	62.2	30%	0.299	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-0.5	-173.5	0	0	0	0	0	115.6	Y445 P456 A457	Y445-G447 PolarHBondContact O-N 3.4Å; G447-P456 WeakPolarHBondContact O-CA 3.36Å; G447-A457 PolarHBondContact O-N 3.43Å
448	W	93.6	Very high	94.1	Very high	75 Å²	75	59.2 Å²	59.2	28%	0.284	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152.7	-179.4	-62.1	93.4	0	0	0	113.3	Q387 C444 Y445 C453 P456	Q387-W448 HydrophobicContact CB-CB 4.22Å; Q387-W448 HydrophobicContact CB-CD2 3.69Å; Q387-W448 HydrophobicContact CB-CE3 4.14Å; Q387-W448 HydrophobicContact CB-CG 3.72Å; Q387-W448 VanDerWaalsContact CD-CZ2 3.43Å; Q387-W448 HydrophobicContact CG-CD2 3.68Å; Q387-W448 HydrophobicContact CG-CE3 3.95Å; Q387-W448 HydrophobicContact CG-CG 4.21Å; Q387-W448 HydrophobicContact CG-CH2 4.04Å; Q387-W448 HydrophobicContact CG-CZ2 3.76Å; Q387-W448 HydrophobicContact CG-CZ3 4.12Å; C444-W448 HydrophobicContact CB-CB 4.17Å; C444-W448 WeakPolarHBondContact CB-O 3.48Å; Y445-W448 PolarHBondContact O-N 2.97Å; W448-C453 HydrophobicContact CB-CB 4.41Å; W448-C453 VanDerWaalsContact CE3-O 3.23Å; W448-P456 HydrophobicContact CZ3-CG 4.17Å
449	G	92.8	Very high	93.9	Very high	17 Å²	17	58.1 Å²	58.1	18%	0.175	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	-174	-178.7	0	0	0	0	0	113.9	C453 T455	G449-C453 CarbonylContact O-C 3.5Å; G449-C453 WeakPolarHBondContact O-CA 3.39Å; G449-T455 VanDerWaalsContact C-OG1 3.32Å; G449-T455 PolarHBondContact N-O 3.21Å; G449-T455 PolarHBondContact O-N 3.43Å; G449-T455 PolarHBondContact O-OG1 3.27Å
450	G	93.5	Very high	93.7	Very high	49 Å²	49	59.1 Å²	59.1	51%	0.505	35%	0.349	S	S	.	.	S	Bend	trans	81.7	162.9	-170.1	0	0	0	0	0	112.7	N452 C453	G450-N452 PolarHBondContact O-N 3.32Å; G450-C453 PolarHBondContact O-N 2.82Å; G450-C453 VanDerWaalsContact O-N 3.08Å
451	R	94.3	Very high	93.4	Very high	240 Å²	240	61.9 Å²	61.9	91%	0.906	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.1	-170.7	-69.9	-174.9	-71	173.8	-2.9	115.4
452	N	95.5	Very high	93.1	Very high	67 Å²	67	60.6 Å²	60.6	36%	0.358	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	14.6	-177.2	65.8	-43.6	0	0	0	112	L383 C384 S385 G450 S454	L383-N452 WeakPolarHBondContact O-CA 3.33Å; L383-N452 VanDerWaalsContact O-CB 3.29Å; L383-N452 WeakPolarHBondContact O-CB 3.37Å; C384-N452 CarbonylContact C-O 3.4Å; C384-N452 WeakPolarHBondContact CA-O 3.46Å; S385-N452 WeakPolarHBondContact CB-O 3.46Å; S385-N452 PolarHBondContact N-O 2.86Å; S385-N452 PolarHBondContact OG-O 2.94Å; G450-N452 PolarHBondContact O-N 3.32Å; N452-S454 VanDerWaalsContact ND2-CB 3.27Å; N452-S454 WeakPolarHBondContact ND2-CB 3.32Å; N452-S454 PolarHBondContact ND2-OG 3.03Å; N452-S454 PolarHBondContact O-N 2.99Å; N452-S454 VanDerWaalsContact O-N 3.09Å; N452-S454 PolarHBondContact OD1-OG 2.88Å
453	C	96.4	Very high	92.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	38%	0.381	C	S	.	.	S	Bend	trans	55.6	22.2	-179.9	-46	0	0	0	0	116.1	Q387 C444 W448 G449 G450	Q387-C453 HydrophobicContact CB-CB 3.95Å; Q387-C453 WeakPolarHBondContact CB-O 3.49Å; Q387-C453 WeakPolarHBondContact O-CB 3.26Å; C444-C453 WeakPolarHBondContact CA-SG 3.23Å; C444-C453 HydrophobicContact CB-CB 3.79Å; C444-C453 WeakPolarHBondContact CB-SG 3.5Å; C444-C453 WeakPolarHBondContact SG-CA 3.45Å; C444-C453 WeakPolarHBondContact SG-CB 3.36Å; C444-C453 CovalentContact SG-SG 2.04Å; C444-C453 PolarHBondContact SG-SG 3.19Å; W448-C453 HydrophobicContact CB-CB 4.41Å; W448-C453 VanDerWaalsContact CE3-O 3.23Å; G449-C453 CarbonylContact O-C 3.5Å; G449-C453 WeakPolarHBondContact O-CA 3.39Å; G450-C453 PolarHBondContact O-N 2.82Å; G450-C453 VanDerWaalsContact O-N 3.08Å
454	S	95.8	Very high	92.7	Very high	61 Å²	61	65.5 Å²	65.5	43%	0.427	40%	0.399	S	S	.	.			trans	-87.5	-0.5	-176.5	68.3	0	0	0	0	115	S385 N452	S385-S454 WeakPolarHBondContact OG-CB 3.38Å; N452-S454 VanDerWaalsContact ND2-CB 3.27Å; N452-S454 WeakPolarHBondContact ND2-CB 3.32Å; N452-S454 PolarHBondContact ND2-OG 3.03Å; N452-S454 PolarHBondContact O-N 2.99Å; N452-S454 VanDerWaalsContact O-N 3.09Å; N452-S454 PolarHBondContact OD1-OG 2.88Å
455	T	94.5	Very high	92.6	Very high	74 Å²	74	68.2 Å²	68.2	45%	0.454	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.8	176.7	52.6	0	0	0	0	110.1	G449	G449-T455 VanDerWaalsContact C-OG1 3.32Å; G449-T455 PolarHBondContact N-O 3.21Å; G449-T455 PolarHBondContact O-N 3.43Å; G449-T455 PolarHBondContact O-OG1 3.27Å
456	P	91.4	Very high	92.5	Very high	103 Å²	103	73.6 Å²	73.6	67%	0.669	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	150	163.9	-23.8	34.9	0	0	0	111.3	G447 W448	G447-P456 WeakPolarHBondContact O-CA 3.36Å; W448-P456 HydrophobicContact CZ3-CG 4.17Å
457	A	81.6	Confident	92.7	Very high	114 Å²	114	75.4 Å²	75.4	94%	0.942	46%	0.456	S	S	*	.			trans	-110.9	0	-178.1	0	0	0	0	0	112.5	W300 G447	W300-A457 HydrophobicContact CH2-CB 3.97Å; W300-A457 HydrophobicContact CZ3-CB 4.29Å; G447-A457 PolarHBondContact O-N 3.43Å

Retrieved 457 of 457 residues in 957.5 ms (Link to these results)

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