A0A093JG74_STRCA Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A093JG74, Species STRCA (Struthio camelus australis), Gene n/a, Length 342 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	31.1	Very low	33.2	Very low	244 Å²	244	150.5 Å²	150.5	100%	1.202	84%	0.843	S	S	*	*				0	92.7	0	-81.2	176.4	169.5	0	0	108.4
2	L	39.7	Very low	33.2	Very low	160 Å²	160	150.4 Å²	150.4	84%	0.838	85%	0.848	S	S	*	*			trans	170.2	134.2	166.6	-101.9	154	0	0	0	105.6
3	P	40.8	Very low	33.4	Very low	124 Å²	124	153.3 Å²	153.3	81%	0.805	85%	0.846	S	S	*	*			trans	-141.7	134.2	136	27.9	-8.4	0	0	0	114.2
4	W	25.8	Very low	34.1	Very low	239 Å²	239	148.8 Å²	148.8	91%	0.905	84%	0.839	S	S	*	*			trans	-58	163.7	139.9	-77.4	2.3	0	0	0	110.1
5	S	32.2	Very low	34.7	Very low	91 Å²	91	146.9 Å²	146.9	64%	0.636	84%	0.839	S	S	*	*			cis	-179.7	153.8	4.3	39.4	0	0	0	0	107.7
6	L	35.9	Very low	35.3	Very low	161 Å²	161	144.9 Å²	144.9	84%	0.843	83%	0.83	S	S	*	*			trans	49.8	122.6	144.8	-73.6	155.1	0	0	0	122.2
7	L	29.9	Very low	35.9	Very low	182 Å²	182	143.5 Å²	143.5	95%	0.953	83%	0.825	S	S	*	*				167.7	138.4	120	-91.7	152.1	0	0	0	112.3
8	G	27.3	Very low	36.5	Very low	79 Å²	79	139.7 Å²	139.7	81%	0.814	81%	0.814	S	S	*	*			trans	137.4	94.8	156.2	0	0	0	0	0	118.4
9	L	32.1	Very low	36.9	Very low	164 Å²	164	135.1 Å²	135.1	86%	0.859	80%	0.799	S	S	*	*			trans	-73.8	162.5	167.6	-101.8	137.2	0	0	0	111.4
10	P	34.2	Very low	37.4	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	79%	0.789	S	S	*	*				-149.8	148.1	64.7	37.1	-14.9	0	0	0	119.3
11	S	36.4	Very low	38.1	Very low	91 Å²	91	134.7 Å²	134.7	64%	0.636	78%	0.782	S	S	*	*			trans	26.5	114.9	134.7	-177.5	0	0	0	0	120.2
12	V	33.1	Very low	39.3	Very low	149 Å²	149	127.5 Å²	127.5	90%	0.903	75%	0.752	S	S	*	*			trans	-133.8	101.9	132.6	-176.7	0	0	0	0	108.6
13	K	35.5	Very low	40.1	Very low	188 Å²	188	123.3 Å²	123.3	82%	0.817	73%	0.733	S	S	*	*			trans	-79.9	148.1	162	-87.6	-177.3	175.9	178.4	0	109.6
14	A	43.5	Very low	40.9	Very low	90 Å²	90	120.7 Å²	120.7	74%	0.744	72%	0.715	S	S	*	*			trans	69.2	108	152.1	0	0	0	0	0	117.5
15	S	43.4	Very low	42.3	Very low	120 Å²	120	114.5 Å²	114.5	84%	0.839	70%	0.699	S	S	*	*			trans	177.8	78.8	132.8	-81.1	0	0	0	0	111.1
16	V	44.6	Very low	43.2	Very low	116 Å²	116	118.9 Å²	118.9	70%	0.703	70%	0.702	S	S	*	*	S	Bend	trans	-138.3	-17.2	162	-174.6	0	0	0	0	112.7	A18	V16-A18 PolarHBondContact O-N 3.45Å
17	T	45.3	Very low	43.9	Very low	120 Å²	120	116.3 Å²	116.3	74%	0.736	69%	0.689	S	S	*	*	H	α-helix	trans	-81.9	-12.2	-173.8	31.9	0	0	0	0	115.9
18	A	46.1	Very low	45.1	Very low	76 Å²	76	112 Å²	112	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-84.1	-34.8	178.7	0	0	0	0	0	113.5	V16 V22	V16-A18 PolarHBondContact O-N 3.45Å; A18-V22 WeakPolarHBondContact O-CG2 3.31Å; A18-V22 PolarHBondContact O-N 3.14Å
19	G	44.1	Very low	46.3	Very low	52 Å²	52	115.5 Å²	115.5	54%	0.536	66%	0.659	S	S	.	*	H	α-helix	trans	-71.9	-32.7	-176	0	0	0	0	0	114.2	T23	G19-T23 PolarHBondContact O-N 2.91Å; G19-T23 PolarHBondContact O-OG1 3.42Å
20	L	47.9	Very low	47.2	Very low	115 Å²	115	115.1 Å²	115.1	60%	0.602	65%	0.647	S	S	*	*	H	α-helix	trans	-74.1	-33.2	177.3	-111.5	113.3	0	0	0	112.6	T23 V24	L20-T23 PolarHBondContact O-OG1 3.44Å; L20-T23 VanDerWaalsContact O-OG1 3.13Å; L20-V24 WeakPolarHBondContact O-CB 3.43Å; L20-V24 WeakPolarHBondContact O-CG2 3.16Å; L20-V24 PolarHBondContact O-N 3.42Å; L20-V24 VanDerWaalsContact O-N 3.11Å
21	F	51.2	Low	48.1	Very low	146 Å²	146	114.1 Å²	114.1	64%	0.64	64%	0.639	S	S	*	*	H	α-helix	trans	-71.7	-37.7	178.6	-100.4	-87.4	0	0	0	112.4	L25	F21-L25 VanDerWaalsContact O-CB 3.31Å; F21-L25 WeakPolarHBondContact O-CB 3.46Å; F21-L25 VanDerWaalsContact O-CG 3.23Å; F21-L25 WeakPolarHBondContact O-CG 3.31Å; F21-L25 PolarHBondContact O-N 2.9Å
22	V	55.9	Low	49	Very low	94 Å²	94	114.3 Å²	114.3	57%	0.57	63%	0.631	S	S	*	*	H	α-helix	trans	-68.7	-39.7	179.2	177.6	0	0	0	0	111.4	A18 W26	A18-V22 WeakPolarHBondContact O-CG2 3.31Å; A18-V22 PolarHBondContact O-N 3.14Å; V22-W26 VanDerWaalsContact O-CB 3.31Å; V22-W26 WeakPolarHBondContact O-CB 3.23Å; V22-W26 PolarHBondContact O-N 3.39Å
23	T	56.3	Low	49.8	Very low	71 Å²	71	111.7 Å²	111.7	44%	0.436	61%	0.612	S	S	.	*	H	α-helix	trans	-70.4	-38.4	176.8	51.5	0	0	0	0	112.2	G19 L20 W26 N27	G19-T23 PolarHBondContact O-N 2.91Å; G19-T23 PolarHBondContact O-OG1 3.42Å; L20-T23 PolarHBondContact O-OG1 3.44Å; L20-T23 VanDerWaalsContact O-OG1 3.13Å; T23-W26 PolarHBondContact O-N 2.78Å; T23-N27 WeakPolarHBondContact O-CB 3.36Å; T23-N27 PolarHBondContact O-N 2.98Å; T23-N27 PolarHBondContact O-ND2 2.93Å
24	V	57.7	Low	50.4	Low	70 Å²	70	106.9 Å²	106.9	42%	0.424	60%	0.595	S	S	.	*	H	α-helix	trans	-64.3	-44.4	173.9	170.7	0	0	0	0	111	L20 N27 L28	L20-V24 WeakPolarHBondContact O-CB 3.43Å; L20-V24 WeakPolarHBondContact O-CG2 3.16Å; L20-V24 PolarHBondContact O-N 3.42Å; L20-V24 VanDerWaalsContact O-N 3.11Å; V24-N27 PolarHBondContact O-N 3.43Å; V24-L28 HydrophobicContact CG1-CD1 3.73Å; V24-L28 WeakPolarHBondContact O-CB 3.47Å; V24-L28 WeakPolarHBondContact O-CD1 3.38Å; V24-L28 PolarHBondContact O-N 2.93Å
25	L	55.8	Low	50.6	Low	108 Å²	108	106 Å²	106	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-66.7	-36.9	177.2	-73.2	169.4	0	0	0	112.6	F21 L28 K29	F21-L25 VanDerWaalsContact O-CB 3.31Å; F21-L25 WeakPolarHBondContact O-CB 3.46Å; F21-L25 VanDerWaalsContact O-CG 3.23Å; F21-L25 WeakPolarHBondContact O-CG 3.31Å; F21-L25 PolarHBondContact O-N 2.9Å; L25-L28 PolarHBondContact O-N 3.11Å; L25-K29 WeakPolarHBondContact O-CB 3.14Å; L25-K29 PolarHBondContact O-N 3.13Å
26	W	50	Low	50.7	Low	184 Å²	184	104.5 Å²	104.5	70%	0.697	57%	0.566	S	S	*	*	H	α-helix	trans	-68.3	-41	176.8	-161.2	3.9	0	0	0	111.7	V22 T23 K29 Y30	V22-W26 VanDerWaalsContact O-CB 3.31Å; V22-W26 WeakPolarHBondContact O-CB 3.23Å; V22-W26 PolarHBondContact O-N 3.39Å; T23-W26 PolarHBondContact O-N 2.78Å; W26-K29 PolarHBondContact O-N 3.01Å; W26-Y30 PolarHBondContact O-N 3.35Å
27	N	51.5	Low	50.7	Low	107 Å²	107	105.2 Å²	105.2	57%	0.572	56%	0.564	S	S	*	*	H	α-helix	trans	-65.8	-40.1	173.4	-79.2	-70.8	0	0	0	112.1	T23 V24 Y30 V31	T23-N27 WeakPolarHBondContact O-CB 3.36Å; T23-N27 PolarHBondContact O-N 2.98Å; T23-N27 PolarHBondContact O-ND2 2.93Å; V24-N27 PolarHBondContact O-N 3.43Å; N27-Y30 PolarHBondContact O-N 2.89Å; N27-V31 VanDerWaalsContact O-CG2 3.26Å; N27-V31 WeakPolarHBondContact O-CG2 3.39Å; N27-V31 PolarHBondContact O-N 3.25Å
28	L	54.9	Low	50.7	Low	92 Å²	92	107.5 Å²	107.5	48%	0.482	56%	0.564	S	S	.	*	H	α-helix	trans	-62.4	-41.8	173.5	-101.7	131.4	0	0	0	111.9	V24 L25 Y30 V31 I32	V24-L28 HydrophobicContact CG1-CD1 3.73Å; V24-L28 WeakPolarHBondContact O-CB 3.47Å; V24-L28 WeakPolarHBondContact O-CD1 3.38Å; V24-L28 PolarHBondContact O-N 2.93Å; L25-L28 PolarHBondContact O-N 3.11Å; L28-Y30 VanDerWaalsContact C-N 3.3Å; L28-Y30 PolarHBondContact O-N 3.42Å; L28-V31 PolarHBondContact O-N 3.33Å; L28-I32 HydrophobicContact CD2-CD1 4.41Å; L28-I32 WeakPolarHBondContact O-CB 3.49Å; L28-I32 WeakPolarHBondContact O-CD1 3.41Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 2.9Å
29	K	53.2	Low	50.4	Low	151 Å²	151	107.1 Å²	107.1	66%	0.657	56%	0.557	S	S	*	*	H	α-helix	trans	-63.8	-36.8	175.5	-134.6	178.7	-174.4	-178.6	0	112	L25 W26 N33	L25-K29 WeakPolarHBondContact O-CB 3.14Å; L25-K29 PolarHBondContact O-N 3.13Å; W26-K29 PolarHBondContact O-N 3.01Å; K29-N33 WeakPolarHBondContact O-CB 3.21Å; K29-N33 PolarHBondContact O-N 3.44Å
30	Y	49.4	Very low	50.2	Low	157 Å²	157	113.1 Å²	113.1	62%	0.616	57%	0.569	S	S	*	*	H	α-helix	trans	-69	-39.9	176.2	-135.7	-90.5	0	0	0	112.1	W26 N27 L28 L34	W26-Y30 PolarHBondContact O-N 3.35Å; N27-Y30 PolarHBondContact O-N 2.89Å; L28-Y30 VanDerWaalsContact C-N 3.3Å; L28-Y30 PolarHBondContact O-N 3.42Å; Y30-L34 HydrophobicContact CD1-CD1 4.19Å; Y30-L34 HydrophobicContact CE1-CD1 4.33Å; Y30-L34 WeakPolarHBondContact O-CB 3.4Å; Y30-L34 PolarHBondContact O-N 3.04Å
31	V	54.8	Low	49.9	Very low	100 Å²	100	111.2 Å²	111.2	61%	0.606	57%	0.565	S	S	*	*	H	α-helix	trans	-68.2	-40.6	175.2	172.3	0	0	0	0	111.5	N27 L28 L34 S35	N27-V31 VanDerWaalsContact O-CG2 3.26Å; N27-V31 WeakPolarHBondContact O-CG2 3.39Å; N27-V31 PolarHBondContact O-N 3.25Å; L28-V31 PolarHBondContact O-N 3.33Å; V31-L34 PolarHBondContact O-N 3.39Å; V31-S35 PolarHBondContact O-N 3.47Å
32	I	53.6	Low	49.4	Very low	95 Å²	95	109.7 Å²	109.7	49%	0.487	57%	0.569	S	S	.	*	H	α-helix	trans	-65.5	-44.7	175.6	-66	162.2	0	0	0	110.2	L28 L34 S35 D36	L28-I32 HydrophobicContact CD2-CD1 4.41Å; L28-I32 WeakPolarHBondContact O-CB 3.49Å; L28-I32 WeakPolarHBondContact O-CD1 3.41Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 2.9Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.32Å; I32-S35 WeakPolarHBondContact CA-OG 3.26Å; I32-S35 PolarHBondContact O-N 3.31Å; I32-S35 PolarHBondContact O-OG 2.91Å; I32-D36 PolarHBondContact O-N 3.04Å
33	N	50.2	Low	48.8	Very low	93 Å²	93	114.3 Å²	114.3	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-63.4	-36.1	174.2	-90.4	-18.8	0	0	0	112.8	K29 D36 I37	K29-N33 WeakPolarHBondContact O-CB 3.21Å; K29-N33 PolarHBondContact O-N 3.44Å; N33-D36 PolarHBondContact O-N 2.85Å; N33-I37 WeakPolarHBondContact O-CD1 3.48Å; N33-I37 WeakPolarHBondContact O-CG1 3.48Å; N33-I37 PolarHBondContact O-N 2.95Å
34	L	49.5	Very low	48.5	Very low	88 Å²	88	117.4 Å²	117.4	46%	0.461	59%	0.591	S	S	.	*	H	α-helix	trans	-64.7	-40.9	173.3	-121.6	85.2	0	0	0	111.4	Y30 V31 I32 D36 I37 F38	Y30-L34 HydrophobicContact CD1-CD1 4.19Å; Y30-L34 HydrophobicContact CE1-CD1 4.33Å; Y30-L34 WeakPolarHBondContact O-CB 3.4Å; Y30-L34 PolarHBondContact O-N 3.04Å; V31-L34 PolarHBondContact O-N 3.39Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.32Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-D36 PolarHBondContact O-N 3.45Å; L34-I37 PolarHBondContact O-N 3.5Å; L34-F38 WeakPolarHBondContact O-CD2 3.37Å; L34-F38 PolarHBondContact O-N 3.41Å
35	S	47.7	Very low	48.7	Very low	71 Å²	71	120.7 Å²	120.7	50%	0.497	61%	0.612	S	S	.	*	H	α-helix	trans	-65.5	-33.8	178.3	69.3	0	0	0	0	112.8	V31 I32 F38 S39	V31-S35 PolarHBondContact O-N 3.47Å; I32-S35 WeakPolarHBondContact CA-OG 3.26Å; I32-S35 PolarHBondContact O-N 3.31Å; I32-S35 PolarHBondContact O-OG 2.91Å; S35-F38 PolarHBondContact O-N 3Å; S35-S39 WeakPolarHBondContact O-CB 3.48Å; S35-S39 PolarHBondContact O-N 3.05Å; S35-S39 VanDerWaalsContact O-N 3.13Å
36	D	44.4	Very low	49.9	Very low	89 Å²	89	123.5 Å²	123.5	48%	0.476	62%	0.619	S	S	.	*	H	α-helix	trans	-77.5	-28.5	178	-143.4	5.8	0	0	0	112.1	I32 N33 L34 S39	I32-D36 PolarHBondContact O-N 3.04Å; N33-D36 PolarHBondContact O-N 2.85Å; L34-D36 VanDerWaalsContact C-N 3.31Å; L34-D36 PolarHBondContact O-N 3.45Å; D36-S39 PolarHBondContact O-N 2.68Å; D36-S39 PolarHBondContact O-OG 3.17Å; D36-S39 PolarHBondContact OD1-OG 3.43Å
37	I	44.8	Very low	51.8	Low	130 Å²	130	118.6 Å²	118.6	67%	0.667	61%	0.611	S	S	*	*	H	α-helix	trans	-72.1	-33.7	170.4	-68.5	165.3	0	0	0	111.2	N33 L34	N33-I37 WeakPolarHBondContact O-CD1 3.48Å; N33-I37 WeakPolarHBondContact O-CG1 3.48Å; N33-I37 PolarHBondContact O-N 2.95Å; L34-I37 PolarHBondContact O-N 3.5Å
38	F	45.1	Very low	53.8	Low	168 Å²	168	114.3 Å²	114.3	74%	0.737	59%	0.588	S	S	*	*	H	α-helix	trans	-79.6	-11.9	174.3	-89.9	-83.9	0	0	0	114.1	L34 S35	L34-F38 WeakPolarHBondContact O-CD2 3.37Å; L34-F38 PolarHBondContact O-N 3.41Å; S35-F38 PolarHBondContact O-N 3Å
39	S	40.7	Very low	55.7	Low	68 Å²	68	111.5 Å²	111.5	48%	0.476	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.4	7	-178.1	81.4	0	0	0	0	115.6	S35 D36	S35-S39 WeakPolarHBondContact O-CB 3.48Å; S35-S39 PolarHBondContact O-N 3.05Å; S35-S39 VanDerWaalsContact O-N 3.13Å; D36-S39 PolarHBondContact O-N 2.68Å; D36-S39 PolarHBondContact O-OG 3.17Å; D36-S39 PolarHBondContact OD1-OG 3.43Å
40	K	38.7	Very low	57.8	Low	179 Å²	179	104.3 Å²	104.3	78%	0.778	54%	0.542	S	S	*	.			trans	-109.7	53.8	174.6	-76.2	-176.5	179.8	173.1	0	112.5
41	S	42.5	Very low	60	Low	75 Å²	75	96.9 Å²	96.9	52%	0.524	51%	0.512	S	S	.	.	S	Bend	trans	-88.9	140.8	148.9	33.8	0	0	0	0	108.2	K43	S41-K43 PolarHBondContact O-N 3.13Å
42	P	40.9	Very low	62	Low	113 Å²	113	92.2 Å²	92.2	73%	0.734	48%	0.484	S	S	*	.			trans	-58.4	119.6	179	-12.7	24.1	0	0	0	108.2	H44	P42-H44 PolarHBondContact O-N 2.81Å
43	K	43.1	Very low	63.9	Low	192 Å²	192	88.7 Å²	88.7	84%	0.835	47%	0.465	S	S	*	.			trans	-67	87.3	170.9	-73	-179.9	179	177	0	107.6	S41 T45	S41-K43 PolarHBondContact O-N 3.13Å; K43-T45 VanDerWaalsContact C-N 3.33Å; K43-T45 PolarHBondContact O-N 3.28Å
44	H	49.5	Very low	65.8	Low	135 Å²	135	87.8 Å²	87.8	63%	0.625	46%	0.458	S	S	*	.			trans	-60.5	103.2	159.8	-87	-76.2	0	0	0	106.6	P42 K46	P42-H44 PolarHBondContact O-N 2.81Å; H44-K46 PolarHBondContact O-N 2.95Å
45	T	61.3	Low	67.7	Low	140 Å²	140	84.7 Å²	84.7	86%	0.859	44%	0.44	S	S	*	.	S	Bend	trans	-69.3	-12.2	177.9	43	0	0	0	0	112.3	K43	K43-T45 VanDerWaalsContact C-N 3.33Å; K43-T45 PolarHBondContact O-N 3.28Å
46	K	81.9	Confident	69.5	Low	167 Å²	167	82.2 Å²	82.2	73%	0.726	42%	0.422	S	S	*	.	S	Bend	trans	-104.5	137.9	172.7	-64.8	-177	-179.8	-179.3	0	110	H44	H44-K46 PolarHBondContact O-N 2.95Å
47	P	89.3	Confident	71.3	Confident	81 Å²	81	81 Å²	81	53%	0.526	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-62.8	140.4	175	26.8	-33.3	0	0	0	110.4	M49	P47-M49 PolarHBondContact O-N 3.05Å
48	L	94.1	Very high	72.7	Confident	17 Å²	17	85.1 Å²	85.1	9%	0.089	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	121.8	176.3	179.5	76.8	0	0	0	110.8	I50 G76 C77 R78 D90 V91 Y324	L48-I50 HydrophobicContact CD2-CD1 4.12Å; L48-I50 HydrophobicContact CD2-CG1 4Å; L48-I50 HydrophobicContact CG-CG1 4.23Å; L48-G76 WeakPolarHBondContact CB-O 3.42Å; L48-G76 PolarHBondContact N-O 2.8Å; L48-C77 HydrophobicContact CB-CB 3.95Å; L48-C77 HydrophobicContact CD2-CB 4.37Å; L48-C77 CarbonylContact O-C 3.51Å; L48-C77 WeakPolarHBondContact O-CA 3.32Å; L48-C77 WeakPolarHBondContact O-CB 3.41Å; L48-R78 PolarHBondContact O-N 3.05Å; L48-D90 WeakPolarHBondContact CA-OD2 3.25Å; L48-D90 HydrophobicContact CD1-CB 3.39Å; L48-D90 HydrophobicContact CG-CB 4.34Å; L48-V91 HydrophobicContact CD1-CG2 4.25Å; L48-V91 HydrophobicContact CD2-CG2 4.47Å; L48-Y324 HydrophobicContact CD1-CD1 3.8Å; L48-Y324 HydrophobicContact CD1-CD2 3.73Å; L48-Y324 HydrophobicContact CD1-CE1 3.59Å; L48-Y324 HydrophobicContact CD1-CE2 3.49Å; L48-Y324 VanDerWaalsContact CD1-CE2 3.49Å; L48-Y324 HydrophobicContact CD1-CG 3.86Å; L48-Y324 VanDerWaalsContact CD1-CZ 3.42Å; L48-Y324 HydrophobicContact CD2-CD1 4.1Å; L48-Y324 HydrophobicContact CD2-CD2 3.78Å; L48-Y324 HydrophobicContact CD2-CE2 4.41Å; L48-Y324 HydrophobicContact CD2-CG 3.59Å; L48-Y324 HydrophobicContact CG-CD2 4.42Å; L48-Y324 HydrophobicContact CG-CG 4.39Å
49	M	95.6	Very high	74.2	Confident	33 Å²	33	85 Å²	85	16%	0.163	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.8	176.5	-173.2	173	-64.9	0	0	111	P47 T80 L85 Q88 A89 D90 V91	P47-M49 PolarHBondContact O-N 3.05Å; M49-T80 HydrophobicContact CG-CG2 4.15Å; M49-T80 HydrophobicContact SD-CG2 4.35Å; M49-L85 HydrophobicContact CE-CD1 4.47Å; M49-L85 HydrophobicContact SD-CB 4.03Å; M49-L85 HydrophobicContact SD-CD1 4.21Å; M49-Q88 HydrophobicContact CE-CB 4.49Å; M49-Q88 HydrophobicContact SD-CB 3.99Å; M49-A89 HydrophobicContact CG-CB 4.4Å; M49-D90 PolarHBondContact N-OD2 2.74Å; M49-D90 PolarHBondContact O-N 2.76Å; M49-V91 PolarHBondContact O-N 3.23Å; M49-V91 VanDerWaalsContact O-N 3.13Å
50	I	97	Very high	76	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.7	176.9	-57.8	167.9	0	0	0	108.5	L48 V52 C77 R78 V79 T80 V91 V93 I317 I320 C321	L48-I50 HydrophobicContact CD2-CD1 4.12Å; L48-I50 HydrophobicContact CD2-CG1 4Å; L48-I50 HydrophobicContact CG-CG1 4.23Å; I50-V52 HydrophobicContact CG2-CG2 4.44Å; I50-C77 HydrophobicContact CD1-CB 4.05Å; I50-R78 PolarHBondContact N-O 3.26Å; I50-V79 HydrophobicContact CB-CG2 4.44Å; I50-V79 CarbonylContact O-C 3.4Å; I50-V79 WeakPolarHBondContact O-CA 3.3Å; I50-T80 PolarHBondContact O-N 2.95Å; I50-V91 WeakPolarHBondContact CA-O 3.41Å; I50-V91 HydrophobicContact CG1-CB 4.48Å; I50-V93 HydrophobicContact CG2-CG2 3.66Å; I50-I317 HydrophobicContact CG2-CG2 4.16Å; I50-I320 HydrophobicContact CD1-CB 3.85Å; I50-I320 HydrophobicContact CD1-CG2 3.81Å; I50-I320 HydrophobicContact CG1-CG2 4.29Å; I50-I320 HydrophobicContact CG2-CD1 4.07Å; I50-C321 WeakPolarHBondContact CD1-SG 3.14Å
51	L	96.3	Very high	78.2	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.9	170.9	173.4	60.9	0	0	0	109.5	W53 T80 D82 L86 A89 V91 V92 V93	L51-W53 HydrophobicContact CD2-CE3 4.15Å; L51-W53 HydrophobicContact CD2-CZ3 4.34Å; L51-T80 WeakPolarHBondContact CA-O 3.49Å; L51-T80 HydrophobicContact CB-CG2 4.16Å; L51-T80 HydrophobicContact CD1-CG2 3.99Å; L51-D82 WeakPolarHBondContact CD1-O 2.93Å; L51-L86 HydrophobicContact CD2-CB 4.03Å; L51-L86 HydrophobicContact CD2-CD1 3.94Å; L51-A89 HydrophobicContact CB-CB 3.67Å; L51-A89 HydrophobicContact CD2-CB 4.48Å; L51-V91 PolarHBondContact N-O 3.37Å; L51-V92 HydrophobicContact CB-CG1 4.49Å; L51-V92 HydrophobicContact CB-CG2 4.41Å; L51-V92 HydrophobicContact CD2-CG1 4.23Å; L51-V92 HydrophobicContact CD2-CG2 4.39Å; L51-V92 HydrophobicContact CG-CG1 4.28Å; L51-V92 CarbonylContact O-C 3.57Å; L51-V92 WeakPolarHBondContact O-CA 3.29Å; L51-V93 PolarHBondContact O-N 3.23Å
52	V	95.6	Very high	80	Confident	2 Å²	2	79.9 Å²	79.9	1%	0.012	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.5	169.2	179.8	0	0	0	0	107.9	I50 E54 W55 V79 T80 L81 V93 I317	I50-V52 HydrophobicContact CG2-CG2 4.44Å; V52-E54 VanDerWaalsContact C-N 3.29Å; V52-E54 WeakPolarHBondContact CG1-O 3.3Å; V52-E54 PolarHBondContact O-N 3.41Å; V52-W55 HydrophobicContact CB-CE3 4.32Å; V52-W55 HydrophobicContact CG1-CE3 3.88Å; V52-W55 HydrophobicContact CG1-CZ3 4.43Å; V52-W55 HydrophobicContact CG2-CE3 4.44Å; V52-W55 HydrophobicContact CG2-CZ3 4.23Å; V52-V79 HydrophobicContact CG2-CG1 4.04Å; V52-T80 PolarHBondContact N-O 2.74Å; V52-L81 HydrophobicContact CB-CD2 3.85Å; V52-L81 HydrophobicContact CG1-CD2 4.16Å; V52-L81 WeakPolarHBondContact O-CD2 3.43Å; V52-V93 HydrophobicContact CG2-CB 4.29Å; V52-V93 HydrophobicContact CG2-CG2 4.39Å; V52-I317 HydrophobicContact CG2-CD1 4.2Å; V52-I317 HydrophobicContact CG2-CG1 4.24Å; V52-I317 HydrophobicContact CG2-CG2 3.88Å
53	W	93.7	Very high	82	Confident	22 Å²	22	75.8 Å²	75.8	8%	0.083	39%	0.387	C	S	.	.	S	Bend	trans	-62.3	-39.3	-171.4	-171.8	-98.9	0	0	0	112.6	L51 R83 L86 V92 V93 F94 K105 L106 P107	L51-W53 HydrophobicContact CD2-CE3 4.15Å; L51-W53 HydrophobicContact CD2-CZ3 4.34Å; W53-R83 HydrophobicContact CE3-CG 4.2Å; W53-R83 HydrophobicContact CH2-CB 4.34Å; W53-R83 HydrophobicContact CH2-CG 4.21Å; W53-R83 HydrophobicContact CZ3-CB 4.18Å; W53-R83 HydrophobicContact CZ3-CG 4Å; W53-R83 PolarHBondContact O-NE 3.11Å; W53-R83 PolarHBondContact O-NH2 3.26Å; W53-L86 HydrophobicContact CZ3-CD1 4.21Å; W53-L86 HydrophobicContact CZ3-CD2 4.22Å; W53-V92 HydrophobicContact CB-CG1 4.35Å; W53-V92 HydrophobicContact CE3-CG1 4.25Å; W53-V93 WeakPolarHBondContact CB-O 3.37Å; W53-V93 PolarHBondContact N-O 3.45Å; W53-F94 HydrophobicContact CB-CD1 3.72Å; W53-F94 HydrophobicContact CB-CE1 3.75Å; W53-F94 AromaticContact CD2-CE1 3.87Å; W53-F94 HydrophobicContact CD2-CE1 3.87Å; W53-F94 HydrophobicContact CE3-CE1 4.35Å; W53-F94 AromaticContact CG-CD1 3.84Å; W53-F94 HydrophobicContact CG-CD1 3.84Å; W53-F94 AromaticContact CG-CE1 3.56Å; W53-F94 HydrophobicContact CG-CE1 3.56Å; W53-K105 WeakPolarHBondContact CZ2-O 3.47Å; W53-L106 HydrophobicContact CG-CD2 4.38Å; W53-P107 HydrophobicContact CD2-CG 4.31Å; W53-P107 HydrophobicContact CE3-CG 3.84Å; W53-P107 HydrophobicContact CH2-CG 3.38Å; W53-P107 HydrophobicContact CZ2-CG 3.87Å; W53-P107 HydrophobicContact CZ3-CG 3.36Å
54	E	89.8	Confident	83.6	Confident	73 Å²	73	70.7 Å²	70.7	34%	0.341	38%	0.376	S	S	.	.	S	Bend	trans	-148	138	169.2	-157.9	168.2	138.2	0	0	109.2	V52 R83 V98	V52-E54 VanDerWaalsContact C-N 3.29Å; V52-E54 WeakPolarHBondContact CG1-O 3.3Å; V52-E54 PolarHBondContact O-N 3.41Å; E54-R83 IonicContact OE2-NH2 2.77Å; E54-V98 HydrophobicContact CB-CG1 4.47Å; E54-V98 HydrophobicContact CB-CG2 3.33Å; E54-V98 HydrophobicContact CG-CG2 4.03Å; E54-V98 WeakPolarHBondContact OE2-CG1 3.29Å
55	W	90.7	Very high	85.2	Confident	23 Å²	23	67.9 Å²	67.9	9%	0.087	37%	0.368	C	S	.	.			trans	-73.6	132.1	-177.4	-167.6	-101.7	0	0	0	111	V52 S57 A60 P61 L81 W313 R314 I317	V52-W55 HydrophobicContact CB-CE3 4.32Å; V52-W55 HydrophobicContact CG1-CE3 3.88Å; V52-W55 HydrophobicContact CG1-CZ3 4.43Å; V52-W55 HydrophobicContact CG2-CE3 4.44Å; V52-W55 HydrophobicContact CG2-CZ3 4.23Å; W55-S57 PolarHBondContact O-N 2.71Å; W55-A60 HydrophobicContact CB-CB 4.15Å; W55-A60 HydrophobicContact CG-CB 4.46Å; W55-P61 VanDerWaalsContact CD1-CD 3.5Å; W55-P61 HydrophobicContact CD2-CG 3.87Å; W55-P61 HydrophobicContact CE3-CG 4.16Å; W55-P61 HydrophobicContact CH2-CG 3.82Å; W55-P61 HydrophobicContact CZ2-CG 3.53Å; W55-P61 HydrophobicContact CZ3-CG 4.13Å; W55-P61 VanDerWaalsContact NE1-CD 3.34Å; W55-L81 HydrophobicContact CB-CD2 4.32Å; W55-L81 HydrophobicContact CE3-CD2 4.12Å; W55-W313 HydrophobicContact CH2-CB 4.17Å; W55-W313 HydrophobicContact CZ2-CB 3.4Å; W55-W313 VanDerWaalsContact CZ2-CB 3.4Å; W55-R314 HydrophobicContact CH2-CB 4.31Å; W55-R314 HydrophobicContact CH2-CG 3.64Å; W55-R314 HydrophobicContact CZ2-CG 3.68Å; W55-I317 HydrophobicContact CH2-CG1 4.19Å; W55-I317 HydrophobicContact CZ3-CG1 4.14Å
56	P	84.8	Confident	86.5	Confident	19 Å²	19	63.6 Å²	63.6	12%	0.123	34%	0.34	C	S	.	.	S	Bend	trans	-77.2	32.4	-174.7	33.4	-40.4	0	0	0	114.5	H95 W313	P56-H95 HydrophobicContact CB-CB 3.98Å; P56-H95 WeakPolarHBondContact CB-CD2 3.24Å; P56-W313 HydrophobicContact CB-CD2 3.87Å; P56-W313 HydrophobicContact CB-CE3 4.31Å; P56-W313 HydrophobicContact CB-CG 4.3Å; P56-W313 HydrophobicContact CB-CH2 4.16Å; P56-W313 HydrophobicContact CB-CZ2 3.69Å; P56-W313 HydrophobicContact CB-CZ3 4.45Å; P56-W313 HydrophobicContact CG-CB 3.99Å; P56-W313 HydrophobicContact CG-CD2 3.2Å; P56-W313 VanDerWaalsContact CG-CE2 3.44Å; P56-W313 HydrophobicContact CG-CE3 3.54Å; P56-W313 HydrophobicContact CG-CG 3.43Å; P56-W313 VanDerWaalsContact CG-CG 3.43Å; P56-W313 HydrophobicContact CG-CH2 4.25Å; P56-W313 HydrophobicContact CG-CZ2 3.97Å; P56-W313 HydrophobicContact CG-CZ3 4.06Å; P56-W313 PolarHBondContact O-NE1 2.6Å
57	S	81.3	Confident	87	Confident	64 Å²	64	55.9 Å²	55.9	45%	0.448	31%	0.307	S	S	.	.	S	Bend	trans	-148.7	151.8	175.4	175	0	0	0	0	109.5	W55 Q59	W55-S57 PolarHBondContact O-N 2.71Å; S57-Q59 PolarHBondContact O-N 3.05Å; S57-Q59 VanDerWaalsContact O-N 3.08Å
58	K	75.7	Confident	87.2	Confident	217 Å²	217	52 Å²	52	94%	0.943	28%	0.282	S	S	*	.	S	Bend	trans	-57.1	-25.5	178.5	-65.2	-172.2	177.5	-172	0	113.8
59	Q	76.8	Confident	87.2	Confident	164 Å²	164	58.2 Å²	58.2	77%	0.766	30%	0.304	S	S	*	.	S	Bend	trans	-115.5	113.9	176.4	-68.6	176.4	8.5	0	0	108.3	S57	S57-Q59 PolarHBondContact O-N 3.05Å; S57-Q59 VanDerWaalsContact O-N 3.08Å
60	A	78.6	Confident	87	Confident	65 Å²	65	61.1 Å²	61.1	54%	0.537	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-68.1	136.8	170.1	0	0	0	0	0	109.3	W55 L81	W55-A60 HydrophobicContact CB-CB 4.15Å; W55-A60 HydrophobicContact CG-CB 4.46Å; A60-L81 HydrophobicContact CB-CD1 3.98Å
61	P	83.7	Confident	86.8	Confident	24 Å²	24	65.4 Å²	65.4	16%	0.156	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-72.3	157	177.5	28.5	-32.7	0	0	0	110.3	W55 I63 R314	W55-P61 VanDerWaalsContact CD1-CD 3.5Å; W55-P61 HydrophobicContact CD2-CG 3.87Å; W55-P61 HydrophobicContact CE3-CG 4.16Å; W55-P61 HydrophobicContact CH2-CG 3.82Å; W55-P61 HydrophobicContact CZ2-CG 3.53Å; W55-P61 HydrophobicContact CZ3-CG 4.13Å; W55-P61 VanDerWaalsContact NE1-CD 3.34Å; P61-I63 HydrophobicContact CB-CG2 4.32Å; P61-I63 HydrophobicContact CG-CG2 3.81Å; P61-I63 PolarHBondContact O-N 3.41Å; P61-R314 HydrophobicContact CB-CG 4.2Å; P61-R314 HydrophobicContact CG-CG 4.05Å
62	N	81.6	Confident	86.7	Confident	126 Å²	126	68.1 Å²	68.1	67%	0.674	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-69.4	119.7	161.3	-171.2	-3.2	0	0	0	108.8	S64	N62-S64 WeakPolarHBondContact OD1-CB 3.25Å; N62-S64 PolarHBondContact OD1-N 2.89Å; N62-S64 VanDerWaalsContact OD1-N 3.13Å; N62-S64 PolarHBondContact OD1-OG 3.05Å; N62-S64 VanDerWaalsContact OD1-OG 3.09Å
63	I	82.6	Confident	86.6	Confident	28 Å²	28	74.2 Å²	74.2	14%	0.144	39%	0.386	C	S	.	.			trans	-121.8	26.9	-178.3	54.5	143.4	0	0	0	111.7	P61 T65 I67 L81	P61-I63 HydrophobicContact CB-CG2 4.32Å; P61-I63 HydrophobicContact CG-CG2 3.81Å; P61-I63 PolarHBondContact O-N 3.41Å; I63-T65 PolarHBondContact O-N 3.28Å; I63-I67 HydrophobicContact CG2-CD1 3.95Å; I63-I67 HydrophobicContact CG2-CG2 4.33Å; I63-L81 HydrophobicContact CD1-CB 3.77Å; I63-L81 HydrophobicContact CD1-CD1 3.93Å; I63-L81 HydrophobicContact CD1-CG 3.51Å; I63-L81 HydrophobicContact CG1-CD1 4.01Å; I63-L81 HydrophobicContact CG1-CG 4.15Å
64	S	76.8	Confident	86.6	Confident	85 Å²	85	74.6 Å²	74.6	59%	0.594	39%	0.389	S	S	*	.	S	Bend	trans	-65.7	-22.8	178	59.7	0	0	0	0	113.2	N62	N62-S64 WeakPolarHBondContact OD1-CB 3.25Å; N62-S64 PolarHBondContact OD1-N 2.89Å; N62-S64 VanDerWaalsContact OD1-N 3.13Å; N62-S64 PolarHBondContact OD1-OG 3.05Å; N62-S64 VanDerWaalsContact OD1-OG 3.09Å
65	T	82.4	Confident	86.7	Confident	75 Å²	75	77.3 Å²	77.3	46%	0.46	40%	0.403	S	S	.	.	S	Bend	trans	-108.8	174.8	178.4	74.7	0	0	0	0	112	I63 I67 D70	I63-T65 PolarHBondContact O-N 3.28Å; T65-I67 PolarHBondContact O-N 2.86Å; T65-D70 WeakPolarHBondContact CB-OD2 3.32Å; T65-D70 PolarHBondContact OG1-OD2 2.94Å
66	D	89.3	Confident	86.6	Confident	50 Å²	50	78.7 Å²	78.7	27%	0.267	43%	0.425	S	S	.	.			trans	-74.2	78.3	172.8	-174.5	-12	0	0	0	110	C68 R69 D70	D66-C68 PolarHBondContact O-N 3.41Å; D66-C68 VanDerWaalsContact O-N 3.07Å; D66-C68 PolarHBondContact OD1-N 2.7Å; D66-R69 HydrophobicContact CB-CB 4.14Å; D66-R69 VanDerWaalsContact CG-CB 3.43Å; D66-R69 PolarHBondContact O-N 2.88Å; D66-R69 VanDerWaalsContact O-N 3.12Å; D66-R69 PolarHBondContact OD1-N 2.73Å; D66-R69 VanDerWaalsContact OD1-N 3.09Å; D66-R69 WeakPolarHBondContact OD2-CB 3.29Å; D66-D70 WeakPolarHBondContact O-CB 3.42Å; D66-D70 PolarHBondContact O-N 3.32Å
67	I	91.9	Very high	86.9	Confident	5 Å²	5	77.8 Å²	77.8	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-56.9	-26.4	-177.2	56.4	154.2	0	0	0	113.4	I63 T65 L71 V79 R314	I63-I67 HydrophobicContact CG2-CD1 3.95Å; I63-I67 HydrophobicContact CG2-CG2 4.33Å; T65-I67 PolarHBondContact O-N 2.86Å; I67-L71 HydrophobicContact CB-CD1 4.39Å; I67-L71 VanDerWaalsContact O-CB 3.32Å; I67-L71 WeakPolarHBondContact O-CB 3.31Å; I67-L71 PolarHBondContact O-N 3.04Å; I67-V79 HydrophobicContact CD1-CB 4.18Å; I67-V79 HydrophobicContact CD1-CG1 4.39Å; I67-V79 HydrophobicContact CD1-CG2 4.31Å; I67-V79 HydrophobicContact CG1-CB 4.31Å; I67-V79 HydrophobicContact CG1-CG2 4.44Å; I67-R314 HydrophobicContact CD1-CB 3.99Å; I67-R314 HydrophobicContact CD1-CG 3.85Å
68	C	94.1	Very high	87.5	Confident	0 Å²	0	82 Å²	82	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-74.4	-43.8	180	-65.4	0	0	0	0	110.8	D66 Y72 N73 I74 C318	D66-C68 PolarHBondContact O-N 3.41Å; D66-C68 VanDerWaalsContact O-N 3.07Å; D66-C68 PolarHBondContact OD1-N 2.7Å; C68-Y72 CarbonylContact O-C 3.42Å; C68-Y72 PolarHBondContact O-N 3.31Å; C68-N73 PolarHBondContact O-N 2.74Å; C68-N73 VanDerWaalsContact O-N 3.14Å; C68-I74 CarbonylContact C-O 3.58Å; C68-I74 HydrophobicContact CB-CB 4.19Å; C68-I74 HydrophobicContact CB-CG2 4.39Å; C68-I74 WeakPolarHBondContact CB-O 3.49Å; C68-I74 PolarHBondContact O-N 2.94Å; C68-C318 WeakPolarHBondContact CA-SG 3.46Å; C68-C318 HydrophobicContact CB-CB 3.76Å; C68-C318 WeakPolarHBondContact CB-SG 3.4Å; C68-C318 VanDerWaalsContact SG-CA 3.5Å; C68-C318 WeakPolarHBondContact SG-CB 3.46Å; C68-C318 CovalentContact SG-SG 2.04Å; C68-C318 PolarHBondContact SG-SG 3.09Å
69	R	93.2	Very high	88.5	Confident	147 Å²	147	71.8 Å²	71.8	56%	0.555	38%	0.381	S	S	*	.	H	α-helix	trans	-68.7	-50.2	173.7	-175.3	178.6	-179.5	-175.9	-1.9	111.4	D66 L71 N73 I74 M75	D66-R69 HydrophobicContact CB-CB 4.14Å; D66-R69 VanDerWaalsContact CG-CB 3.43Å; D66-R69 PolarHBondContact O-N 2.88Å; D66-R69 VanDerWaalsContact O-N 3.12Å; D66-R69 PolarHBondContact OD1-N 2.73Å; D66-R69 VanDerWaalsContact OD1-N 3.09Å; D66-R69 WeakPolarHBondContact OD2-CB 3.29Å; R69-L71 PolarHBondContact O-N 2.81Å; R69-N73 VanDerWaalsContact O-CA 3.24Å; R69-N73 WeakPolarHBondContact O-CA 3.49Å; R69-N73 PolarHBondContact O-N 3.1Å; R69-I74 WeakPolarHBondContact CA-O 3.42Å; R69-I74 PolarHBondContact N-O 3.13Å; R69-M75 HydrophobicContact CG-CG 4.27Å
70	D	92.1	Very high	89.3	Confident	94 Å²	94	64.8 Å²	64.8	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-68	-39.7	-169.2	-63.1	-19.8	0	0	0	112.7	T65 D66	T65-D70 WeakPolarHBondContact CB-OD2 3.32Å; T65-D70 PolarHBondContact OG1-OD2 2.94Å; D66-D70 WeakPolarHBondContact O-CB 3.42Å; D66-D70 PolarHBondContact O-N 3.32Å
71	L	92.3	Very high	90	Very high	91 Å²	91	64.1 Å²	64.1	48%	0.476	34%	0.336	S	S	.	.	H	α-helix	trans	-100.2	-27.1	-174.2	-57.3	178.7	0	0	0	113.7	I67 R69	I67-L71 HydrophobicContact CB-CD1 4.39Å; I67-L71 VanDerWaalsContact O-CB 3.32Å; I67-L71 WeakPolarHBondContact O-CB 3.31Å; I67-L71 PolarHBondContact O-N 3.04Å; R69-L71 PolarHBondContact O-N 2.81Å
72	Y	92.9	Very high	90.5	Very high	57 Å²	57	67.2 Å²	67.2	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-128.2	0.8	-171	-51.5	-68	0	0	0	113.9	C68 I74 D312 R314 E315 C318	C68-Y72 CarbonylContact O-C 3.42Å; C68-Y72 PolarHBondContact O-N 3.31Å; Y72-I74 PolarHBondContact O-N 2.9Å; Y72-D312 PolarHBondContact OH-OD2 2.98Å; Y72-R314 HydrophobicContact CE2-CB 3.71Å; Y72-R314 WeakPolarHBondContact OH-CB 3.33Å; Y72-E315 HydrophobicContact CD1-CB 4Å; Y72-E315 HydrophobicContact CD1-CG 3.82Å; Y72-E315 HydrophobicContact CE1-CB 3.5Å; Y72-E315 VanDerWaalsContact CE1-CB 3.5Å; Y72-E315 HydrophobicContact CE1-CG 3.79Å; Y72-E315 HydrophobicContact CE2-CB 4.12Å; Y72-E315 VanDerWaalsContact CE2-N 3.34Å; Y72-E315 HydrophobicContact CG-CG 4.38Å; Y72-E315 PolarHBondContact OH-N 3.35Å; Y72-C318 HydrophobicContact CD2-CB 4.32Å
73	N	94.1	Very high	91	Very high	130 Å²	130	66.4 Å²	66.4	70%	0.695	34%	0.339	S	S	*	.			trans	54.8	34.1	-176.7	-163.5	37.2	0	0	0	113.1	C68 R69	C68-N73 PolarHBondContact O-N 2.74Å; C68-N73 VanDerWaalsContact O-N 3.14Å; R69-N73 VanDerWaalsContact O-CA 3.24Å; R69-N73 WeakPolarHBondContact O-CA 3.49Å; R69-N73 PolarHBondContact O-N 3.1Å
74	I	93.6	Very high	91.6	Very high	30 Å²	30	68.2 Å²	68.2	15%	0.154	37%	0.365	C	S	.	.			trans	-102.7	115.1	176.9	-65.6	169.7	0	0	0	108.2	C68 R69 Y72 C318 C321 T322	C68-I74 CarbonylContact C-O 3.58Å; C68-I74 HydrophobicContact CB-CB 4.19Å; C68-I74 HydrophobicContact CB-CG2 4.39Å; C68-I74 WeakPolarHBondContact CB-O 3.49Å; C68-I74 PolarHBondContact O-N 2.94Å; R69-I74 WeakPolarHBondContact CA-O 3.42Å; R69-I74 PolarHBondContact N-O 3.13Å; Y72-I74 PolarHBondContact O-N 2.9Å; I74-C318 HydrophobicContact CD1-CB 3.85Å; I74-C321 HydrophobicContact CG2-CB 3.71Å; I74-T322 HydrophobicContact CD1-CG2 4.18Å; I74-T322 HydrophobicContact CG1-CG2 4.16Å; I74-T322 HydrophobicContact CG2-CG2 3.73Å
75	M	91.5	Very high	92.4	Very high	129 Å²	129	66.1 Å²	66.1	64%	0.635	35%	0.347	S	S	*	.			trans	-100.1	167	-179	-62.6	-177.6	-72.4	0	0	112	R69	R69-M75 HydrophobicContact CG-CG 4.27Å
76	G	88.5	Confident	93	Very high	52 Å²	52	64.3 Å²	64.3	54%	0.536	33%	0.334	S	S	.	.	S	Bend	trans	94.8	7.6	169.2	0	0	0	0	0	115.1	L48	L48-G76 WeakPolarHBondContact CB-O 3.42Å; L48-G76 PolarHBondContact N-O 2.8Å
77	C	92.3	Very high	93.2	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.2	176	66.1	0	0	0	0	112.4	L48 I50 C321	L48-C77 HydrophobicContact CB-CB 3.95Å; L48-C77 HydrophobicContact CD2-CB 4.37Å; L48-C77 CarbonylContact O-C 3.51Å; L48-C77 WeakPolarHBondContact O-CA 3.32Å; L48-C77 WeakPolarHBondContact O-CB 3.41Å; I50-C77 HydrophobicContact CD1-CB 4.05Å; C77-C321 HydrophobicContact CB-CB 3.53Å; C77-C321 WeakPolarHBondContact CB-SG 3.48Å; C77-C321 WeakPolarHBondContact SG-CB 3.46Å; C77-C321 CovalentContact SG-SG 1.99Å; C77-C321 PolarHBondContact SG-SG 3.22Å
78	R	94	Very high	93.3	Very high	151 Å²	151	70.8 Å²	70.8	57%	0.57	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	125.5	171.9	-173.7	175	-177.4	171.6	1.2	109.2	L48 I50	L48-R78 PolarHBondContact O-N 3.05Å; I50-R78 PolarHBondContact N-O 3.26Å
79	V	95.6	Very high	93.4	Very high	4 Å²	4	71 Å²	71	2%	0.024	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.6	176.3	-178.5	0	0	0	0	109.4	I50 V52 I67 I317	I50-V79 HydrophobicContact CB-CG2 4.44Å; I50-V79 CarbonylContact O-C 3.4Å; I50-V79 WeakPolarHBondContact O-CA 3.3Å; V52-V79 HydrophobicContact CG2-CG1 4.04Å; I67-V79 HydrophobicContact CD1-CB 4.18Å; I67-V79 HydrophobicContact CD1-CG1 4.39Å; I67-V79 HydrophobicContact CD1-CG2 4.31Å; I67-V79 HydrophobicContact CG1-CB 4.31Å; I67-V79 HydrophobicContact CG1-CG2 4.44Å; V79-I317 HydrophobicContact CG1-CG2 4.13Å; V79-I317 HydrophobicContact CG2-CG2 3.9Å
80	T	94.6	Very high	93.5	Very high	17 Å²	17	66.5 Å²	66.5	10%	0.104	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.5	175.2	-173.8	0	0	0	0	111.7	M49 I50 L51 V52 D82 L85	M49-T80 HydrophobicContact CG-CG2 4.15Å; M49-T80 HydrophobicContact SD-CG2 4.35Å; I50-T80 PolarHBondContact O-N 2.95Å; L51-T80 WeakPolarHBondContact CA-O 3.49Å; L51-T80 HydrophobicContact CB-CG2 4.16Å; L51-T80 HydrophobicContact CD1-CG2 3.99Å; V52-T80 PolarHBondContact N-O 2.74Å; T80-D82 WeakPolarHBondContact OG1-CB 2.96Å; T80-D82 PolarHBondContact OG1-N 2.79Å; T80-L85 HydrophobicContact CG2-CD1 4.23Å
81	L	94.1	Very high	93.7	Very high	50 Å²	50	62 Å²	62	26%	0.262	34%	0.344	S	S	.	.			trans	-110.5	-1.8	169.8	-67.2	173	0	0	0	111.1	V52 W55 A60 I63 R83	V52-L81 HydrophobicContact CB-CD2 3.85Å; V52-L81 HydrophobicContact CG1-CD2 4.16Å; V52-L81 WeakPolarHBondContact O-CD2 3.43Å; W55-L81 HydrophobicContact CB-CD2 4.32Å; W55-L81 HydrophobicContact CE3-CD2 4.12Å; A60-L81 HydrophobicContact CB-CD1 3.98Å; I63-L81 HydrophobicContact CD1-CB 3.77Å; I63-L81 HydrophobicContact CD1-CD1 3.93Å; I63-L81 HydrophobicContact CD1-CG 3.51Å; I63-L81 HydrophobicContact CG1-CD1 4.01Å; I63-L81 HydrophobicContact CG1-CG 4.15Å; L81-R83 PolarHBondContact O-N 2.74Å
82	D	93.3	Very high	93.9	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	32%	0.322	S	S	.	.			trans	-76.6	103.9	-179.8	-176.4	-0.1	0	0	0	110.4	L51 T80 G84 L85	L51-D82 WeakPolarHBondContact CD1-O 2.93Å; T80-D82 WeakPolarHBondContact OG1-CB 2.96Å; T80-D82 PolarHBondContact OG1-N 2.79Å; D82-G84 PolarHBondContact O-N 3.06Å; D82-G84 WeakPolarHBondContact OD1-CA 3.39Å; D82-G84 PolarHBondContact OD1-N 3.16Å; D82-L85 HydrophobicContact CB-CD1 4.17Å; D82-L85 HydrophobicContact CB-CG 4.22Å; D82-L85 WeakPolarHBondContact O-CB 3.12Å; D82-L85 PolarHBondContact O-N 3.31Å
83	R	92.6	Very high	94.1	Very high	109 Å²	109	55 Å²	55	41%	0.411	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.7	178.2	-62.8	180	-178.6	173.9	-0.3	112.7	W53 E54 L81 L85 L86	W53-R83 HydrophobicContact CE3-CG 4.2Å; W53-R83 HydrophobicContact CH2-CB 4.34Å; W53-R83 HydrophobicContact CH2-CG 4.21Å; W53-R83 HydrophobicContact CZ3-CB 4.18Å; W53-R83 HydrophobicContact CZ3-CG 4Å; W53-R83 PolarHBondContact O-NE 3.11Å; W53-R83 PolarHBondContact O-NH2 3.26Å; E54-R83 IonicContact OE2-NH2 2.77Å; L81-R83 PolarHBondContact O-N 2.74Å; R83-L85 PolarHBondContact O-N 3.17Å; R83-L86 VanDerWaalsContact O-CB 3.27Å; R83-L86 WeakPolarHBondContact O-CB 3.35Å; R83-L86 PolarHBondContact O-N 2.77Å; R83-L86 VanDerWaalsContact O-N 3.11Å
84	G	93.8	Very high	94.2	Very high	66 Å²	66	48.9 Å²	48.9	68%	0.68	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-63.7	-20.7	172.2	0	0	0	0	0	113.1	D82 L86	D82-G84 PolarHBondContact O-N 3.06Å; D82-G84 WeakPolarHBondContact OD1-CA 3.39Å; D82-G84 PolarHBondContact OD1-N 3.16Å; G84-L86 VanDerWaalsContact C-N 3.32Å
85	L	94.1	Very high	94.2	Very high	42 Å²	42	48.2 Å²	48.2	22%	0.22	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-89.1	9.6	175.4	-59.7	178.3	0	0	0	113.5	M49 T80 D82 R83 G87 Q88 A89	M49-L85 HydrophobicContact CE-CD1 4.47Å; M49-L85 HydrophobicContact SD-CB 4.03Å; M49-L85 HydrophobicContact SD-CD1 4.21Å; T80-L85 HydrophobicContact CG2-CD1 4.23Å; D82-L85 HydrophobicContact CB-CD1 4.17Å; D82-L85 HydrophobicContact CB-CG 4.22Å; D82-L85 WeakPolarHBondContact O-CB 3.12Å; D82-L85 PolarHBondContact O-N 3.31Å; R83-L85 PolarHBondContact O-N 3.17Å; L85-G87 PolarHBondContact O-N 3.03Å; L85-Q88 PolarHBondContact O-N 2.91Å; L85-A89 PolarHBondContact O-N 2.94Å
86	L	94.5	Very high	94.3	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.188	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-51	-42.5	178.4	174.6	65.6	0	0	0	112.5	L51 W53 R83 G84 Q88 A89 V92 P107 Q114	L51-L86 HydrophobicContact CD2-CB 4.03Å; L51-L86 HydrophobicContact CD2-CD1 3.94Å; W53-L86 HydrophobicContact CZ3-CD1 4.21Å; W53-L86 HydrophobicContact CZ3-CD2 4.22Å; R83-L86 VanDerWaalsContact O-CB 3.27Å; R83-L86 WeakPolarHBondContact O-CB 3.35Å; R83-L86 PolarHBondContact O-N 2.77Å; R83-L86 VanDerWaalsContact O-N 3.11Å; G84-L86 VanDerWaalsContact C-N 3.32Å; L86-Q88 PolarHBondContact O-N 2.97Å; L86-A89 PolarHBondContact O-N 3.31Å; L86-V92 HydrophobicContact CD1-CG1 4.49Å; L86-V92 HydrophobicContact CD1-CG2 3.74Å; L86-P107 HydrophobicContact CD1-CG 4.15Å; L86-P107 HydrophobicContact CD2-CB 3.83Å; L86-P107 HydrophobicContact CD2-CG 3.77Å; L86-Q114 PolarHBondContact O-NE2 3.43Å
87	G	94.4	Very high	94.2	Very high	63 Å²	63	43.5 Å²	43.5	65%	0.649	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69.5	-15.1	179.3	0	0	0	0	0	114.8	L85	L85-G87 PolarHBondContact O-N 3.03Å
88	Q	94.1	Very high	93.8	Very high	128 Å²	128	43.7 Å²	43.7	60%	0.598	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-105.3	-13.2	-179.5	-61.9	176.7	48.7	0	0	112.7	M49 L85 L86	M49-Q88 HydrophobicContact CE-CB 4.49Å; M49-Q88 HydrophobicContact SD-CB 3.99Å; L85-Q88 PolarHBondContact O-N 2.91Å; L86-Q88 PolarHBondContact O-N 2.97Å
89	A	95.8	Very high	93.2	Very high	6 Å²	6	36.7 Å²	36.7	5%	0.05	22%	0.215	C	C	.	.			trans	-72	132.1	-178.2	0	0	0	0	0	111.2	M49 L51 L85 L86 V92 Q114	M49-A89 HydrophobicContact CG-CB 4.4Å; L51-A89 HydrophobicContact CB-CB 3.67Å; L51-A89 HydrophobicContact CD2-CB 4.48Å; L85-A89 PolarHBondContact O-N 2.94Å; L86-A89 PolarHBondContact O-N 3.31Å; A89-V92 HydrophobicContact CB-CG2 4.17Å; A89-Q114 WeakPolarHBondContact O-CG 3.21Å; A89-Q114 PolarHBondContact O-NE2 3.28Å
90	D	95.6	Very high	92.2	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.273	23%	0.231	S	C	.	.	S	Bend	trans	-78.1	-37.5	172.3	-58.2	-69.5	0	0	0	110.7	L48 M49 Q114 S115	L48-D90 WeakPolarHBondContact CA-OD2 3.25Å; L48-D90 HydrophobicContact CD1-CB 3.39Å; L48-D90 HydrophobicContact CG-CB 4.34Å; M49-D90 PolarHBondContact N-OD2 2.74Å; M49-D90 PolarHBondContact O-N 2.76Å; D90-Q114 WeakPolarHBondContact O-CA 3.43Å; D90-S115 PolarHBondContact O-N 3.18Å
91	V	96.8	Very high	91.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.9	179.1	-173.3	0	0	0	0	110.5	L48 M49 I50 L51 V93 S115 L117 W139 I320 Y324	L48-V91 HydrophobicContact CD1-CG2 4.25Å; L48-V91 HydrophobicContact CD2-CG2 4.47Å; M49-V91 PolarHBondContact O-N 3.23Å; M49-V91 VanDerWaalsContact O-N 3.13Å; I50-V91 WeakPolarHBondContact CA-O 3.41Å; I50-V91 HydrophobicContact CG1-CB 4.48Å; L51-V91 PolarHBondContact N-O 3.37Å; V91-V93 HydrophobicContact CG1-CG2 4.33Å; V91-S115 VanDerWaalsContact CA-O 3.31Å; V91-S115 WeakPolarHBondContact CA-O 3.41Å; V91-L117 HydrophobicContact CG1-CB 4.09Å; V91-W139 HydrophobicContact CG1-CZ3 4.14Å; V91-W139 HydrophobicContact CG2-CH2 4.41Å; V91-W139 HydrophobicContact CG2-CZ3 3.79Å; V91-I320 HydrophobicContact CG1-CG2 4.42Å; V91-Y324 HydrophobicContact CG2-CD2 3.7Å; V91-Y324 HydrophobicContact CG2-CE2 3.58Å
92	V	96.9	Very high	90	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.3	171.6	-169.2	0	0	0	0	109.6	L51 W53 L86 A89 F94 Q114 S115 W116 L117	L51-V92 HydrophobicContact CB-CG1 4.49Å; L51-V92 HydrophobicContact CB-CG2 4.41Å; L51-V92 HydrophobicContact CD2-CG1 4.23Å; L51-V92 HydrophobicContact CD2-CG2 4.39Å; L51-V92 HydrophobicContact CG-CG1 4.28Å; L51-V92 CarbonylContact O-C 3.57Å; L51-V92 WeakPolarHBondContact O-CA 3.29Å; W53-V92 HydrophobicContact CB-CG1 4.35Å; W53-V92 HydrophobicContact CE3-CG1 4.25Å; L86-V92 HydrophobicContact CD1-CG1 4.49Å; L86-V92 HydrophobicContact CD1-CG2 3.74Å; A89-V92 HydrophobicContact CB-CG2 4.17Å; V92-F94 HydrophobicContact CB-CE2 3.74Å; V92-F94 HydrophobicContact CB-CZ 4.13Å; V92-F94 HydrophobicContact CG1-CD2 4.18Å; V92-F94 HydrophobicContact CG1-CE1 4.11Å; V92-F94 HydrophobicContact CG1-CE2 3.42Å; V92-F94 VanDerWaalsContact CG1-CE2 3.42Å; V92-F94 HydrophobicContact CG1-CZ 3.4Å; V92-Q114 HydrophobicContact CG2-CG 4Å; V92-Q114 VanDerWaalsContact CG2-OE1 3.28Å; V92-S115 PolarHBondContact N-O 3.02Å; V92-W116 WeakPolarHBondContact O-CA 3.45Å; V92-L117 PolarHBondContact O-N 3.2Å
93	V	97.1	Very high	89.1	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.9	-176.1	-171.9	0	0	0	0	110.2	I50 L51 V52 W53 V91 L117 V119 I317 I320	I50-V93 HydrophobicContact CG2-CG2 3.66Å; L51-V93 PolarHBondContact O-N 3.23Å; V52-V93 HydrophobicContact CG2-CB 4.29Å; V52-V93 HydrophobicContact CG2-CG2 4.39Å; W53-V93 WeakPolarHBondContact CB-O 3.37Å; W53-V93 PolarHBondContact N-O 3.45Å; V91-V93 HydrophobicContact CG1-CG2 4.33Å; V93-L117 HydrophobicContact CG1-CD2 4.26Å; V93-L117 HydrophobicContact CG2-CB 4.46Å; V93-L117 HydrophobicContact CG2-CD2 4.05Å; V93-V119 HydrophobicContact CG1-CB 4.25Å; V93-V119 HydrophobicContact CG1-CG1 3.51Å; V93-I317 HydrophobicContact CG1-CD1 3.9Å; V93-I320 HydrophobicContact CG2-CD1 3.54Å
94	F	95.3	Very high	88.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107	179	-62.4	-86.1	0	0	0	110.2	W53 V92 L99 L106 P107 W116 L117 V119 F137	W53-F94 HydrophobicContact CB-CD1 3.72Å; W53-F94 HydrophobicContact CB-CE1 3.75Å; W53-F94 AromaticContact CD2-CE1 3.87Å; W53-F94 HydrophobicContact CD2-CE1 3.87Å; W53-F94 HydrophobicContact CE3-CE1 4.35Å; W53-F94 AromaticContact CG-CD1 3.84Å; W53-F94 HydrophobicContact CG-CD1 3.84Å; W53-F94 AromaticContact CG-CE1 3.56Å; W53-F94 HydrophobicContact CG-CE1 3.56Å; V92-F94 HydrophobicContact CB-CE2 3.74Å; V92-F94 HydrophobicContact CB-CZ 4.13Å; V92-F94 HydrophobicContact CG1-CD2 4.18Å; V92-F94 HydrophobicContact CG1-CE1 4.11Å; V92-F94 HydrophobicContact CG1-CE2 3.42Å; V92-F94 VanDerWaalsContact CG1-CE2 3.42Å; V92-F94 HydrophobicContact CG1-CZ 3.4Å; F94-L99 HydrophobicContact CB-CD2 4.09Å; F94-L99 HydrophobicContact CD1-CD2 4.39Å; F94-L106 HydrophobicContact CD1-CD2 3.53Å; F94-L106 HydrophobicContact CE1-CD2 3.49Å; F94-L106 VanDerWaalsContact CE1-CD2 3.49Å; F94-P107 HydrophobicContact CE1-CG 4.48Å; F94-P107 HydrophobicContact CZ-CG 4.26Å; F94-W116 HydrophobicContact CD2-CB 4.35Å; F94-W116 HydrophobicContact CD2-CG 4.43Å; F94-W116 HydrophobicContact CE2-CB 4.01Å; F94-W116 AromaticContact CE2-CD1 4Å; F94-W116 AromaticContact CE2-CD2 3.59Å; F94-W116 HydrophobicContact CE2-CD2 3.59Å; F94-W116 AromaticContact CE2-CE3 3.95Å; F94-W116 HydrophobicContact CE2-CE3 3.95Å; F94-W116 AromaticContact CE2-CG 3.62Å; F94-W116 HydrophobicContact CE2-CG 3.62Å; F94-W116 HydrophobicContact CZ-CD2 4.07Å; F94-W116 HydrophobicContact CZ-CE3 4.3Å; F94-W116 HydrophobicContact CZ-CG 4.47Å; F94-L117 PolarHBondContact N-O 3.05Å; F94-V119 PolarHBondContact O-N 2.98Å; F94-F137 HydrophobicContact CB-CE1 3.85Å; F94-F137 HydrophobicContact CB-CZ 4.23Å; F94-F137 HydrophobicContact CD2-CD1 4.43Å; F94-F137 AromaticContact CD2-CE1 3.63Å; F94-F137 HydrophobicContact CD2-CE1 3.63Å; F94-F137 HydrophobicContact CE2-CE1 4.43Å; F94-F137 AromaticContact CG-CE1 3.96Å; F94-F137 HydrophobicContact CG-CE1 3.96Å
95	H	94.3	Very high	87.5	Confident	15 Å²	15	53.8 Å²	53.8	7%	0.069	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.6	168.5	-171	-100.5	0	0	0	110.3	P56 D97 V98 V119 W313	P56-H95 HydrophobicContact CB-CB 3.98Å; P56-H95 WeakPolarHBondContact CB-CD2 3.24Å; H95-D97 VanDerWaalsContact C-N 3.25Å; H95-D97 IonicContact CE1-OD1 2.79Å; H95-D97 IonicContact CE1-OD2 3.26Å; H95-D97 PolarHBondContact CE1-OD2 3.34Å; H95-D97 PolarHBondContact ND1-N 3.3Å; H95-D97 IonicContact ND1-OD1 2.94Å; H95-D97 IonicContact ND1-OD2 2.8Å; H95-D97 PolarHBondContact ND1-OD2 2.83Å; H95-D97 PolarHBondContact O-N 3.46Å; H95-D97 VanDerWaalsContact O-N 3.16Å; H95-V98 PolarHBondContact O-N 3.3Å; H95-V98 VanDerWaalsContact O-N 3.13Å; H95-V119 WeakPolarHBondContact CA-O 3.27Å; H95-V119 HydrophobicContact CB-CG1 4.1Å; H95-W313 AromaticContact CD2-CH2 3.84Å; H95-W313 AromaticContact NE2-CH2 3.93Å; H95-W313 AromaticContact NE2-CZ2 3.77Å
96	H	92.8	Very high	87	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-36.8	-173.8	-176.8	66.7	0	0	0	114.2	V98 L99 Q100 W118 V119 T127 K128	H96-V98 PolarHBondContact O-N 3.16Å; H96-V98 VanDerWaalsContact O-N 3.13Å; H96-L99 WeakPolarHBondContact O-CB 3.23Å; H96-L99 PolarHBondContact O-N 3.09Å; H96-Q100 PolarHBondContact CD2-NE2 3.38Å; H96-Q100 PolarHBondContact NE2-NE2 3.02Å; H96-Q100 PolarHBondContact O-N 3.12Å; H96-W118 HydrophobicContact CB-CZ2 4.13Å; H96-W118 AromaticContact CG-NE1 3.78Å; H96-W118 AromaticContact ND1-CZ2 4Å; H96-W118 AromaticContact ND1-NE1 3.39Å; H96-W118 PolarHBondContact ND1-NE1 3.29Å; H96-V119 PolarHBondContact N-O 3.11Å; H96-T127 VanDerWaalsContact CD2-CG2 3.47Å; H96-T127 WeakPolarHBondContact CD2-CG2 3.43Å; H96-T127 VanDerWaalsContact CE1-CG2 3.4Å; H96-T127 WeakPolarHBondContact CE1-CG2 3.47Å; H96-T127 WeakPolarHBondContact NE2-CG2 3.38Å; H96-K128 PolarHBondContact CE1-O 3.04Å; H96-K128 PolarHBondContact NE2-N 3.26Å; H96-K128 PolarHBondContact NE2-O 2.92Å
97	D	87.1	Confident	86.5	Confident	81 Å²	81	51.7 Å²	51.7	43%	0.433	26%	0.264	S	S	.	.	H	α-helix	trans	-55.8	-33.6	-179.1	-66.3	-8.7	0	0	0	113.1	H95 L99 Q100 Q101	H95-D97 VanDerWaalsContact C-N 3.25Å; H95-D97 IonicContact CE1-OD1 2.79Å; H95-D97 IonicContact CE1-OD2 3.26Å; H95-D97 PolarHBondContact CE1-OD2 3.34Å; H95-D97 PolarHBondContact ND1-N 3.3Å; H95-D97 IonicContact ND1-OD1 2.94Å; H95-D97 IonicContact ND1-OD2 2.8Å; H95-D97 PolarHBondContact ND1-OD2 2.83Å; H95-D97 PolarHBondContact O-N 3.46Å; H95-D97 VanDerWaalsContact O-N 3.16Å; D97-L99 VanDerWaalsContact C-N 3.34Å; D97-Q100 PolarHBondContact O-N 3.17Å; D97-Q101 PolarHBondContact O-N 3.36Å
98	V	82.9	Confident	85.9	Confident	4 Å²	4	58 Å²	58	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-70	-36.2	178.4	-168.7	0	0	0	0	111.2	E54 H95 H96 Q100 Q101 N102 L106	E54-V98 HydrophobicContact CB-CG1 4.47Å; E54-V98 HydrophobicContact CB-CG2 3.33Å; E54-V98 HydrophobicContact CG-CG2 4.03Å; E54-V98 WeakPolarHBondContact OE2-CG1 3.29Å; H95-V98 PolarHBondContact O-N 3.3Å; H95-V98 VanDerWaalsContact O-N 3.13Å; H96-V98 PolarHBondContact O-N 3.16Å; H96-V98 VanDerWaalsContact O-N 3.13Å; V98-Q100 PolarHBondContact O-N 2.93Å; V98-Q101 PolarHBondContact O-N 3.31Å; V98-N102 HydrophobicContact CG1-CB 4.13Å; V98-N102 PolarHBondContact O-N 3.24Å; V98-L106 HydrophobicContact CG1-CD2 4.18Å
99	L	82.4	Confident	85.4	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-28.7	-179	-55.2	-172.9	0	0	0	111.9	F94 H96 D97 L106 W133 F137	F94-L99 HydrophobicContact CB-CD2 4.09Å; F94-L99 HydrophobicContact CD1-CD2 4.39Å; H96-L99 WeakPolarHBondContact O-CB 3.23Å; H96-L99 PolarHBondContact O-N 3.09Å; D97-L99 VanDerWaalsContact C-N 3.34Å; L99-L106 HydrophobicContact CD2-CD1 3.46Å; L99-L106 VanDerWaalsContact CD2-CD1 3.46Å; L99-L106 HydrophobicContact CD2-CD2 4.17Å; L99-W133 HydrophobicContact CB-CZ2 3.79Å; L99-W133 HydrophobicContact CD1-CD2 4.1Å; L99-W133 HydrophobicContact CD1-CG 4.39Å; L99-W133 HydrophobicContact CD1-CZ2 4.49Å; L99-W133 HydrophobicContact CD2-CH2 3.89Å; L99-W133 HydrophobicContact CD2-CZ2 3.78Å; L99-W133 HydrophobicContact CD2-CZ3 4.23Å; L99-W133 HydrophobicContact CG-CZ2 4.22Å; L99-F137 HydrophobicContact CD1-CE2 3.78Å; L99-F137 HydrophobicContact CD1-CZ 3.52Å; L99-F137 HydrophobicContact CD2-CZ 4.13Å; L99-F137 HydrophobicContact CG-CZ 4.48Å
100	Q	73.6	Confident	85	Confident	78 Å²	78	63.4 Å²	63.4	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-76	-35.7	175.7	-67.4	-173.3	-5.9	0	0	112.7	H96 D97 V98 K128	H96-Q100 PolarHBondContact CD2-NE2 3.38Å; H96-Q100 PolarHBondContact NE2-NE2 3.02Å; H96-Q100 PolarHBondContact O-N 3.12Å; D97-Q100 PolarHBondContact O-N 3.17Å; V98-Q100 PolarHBondContact O-N 2.93Å; Q100-K128 VanDerWaalsContact NE2-N 3.12Å; Q100-K128 PolarHBondContact NE2-O 2.84Å
101	Q	71.7	Confident	84.8	Confident	141 Å²	141	62.9 Å²	62.9	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-102.8	-24.8	-167.3	-63.2	178.6	17	0	0	114	D97 V98	D97-Q101 PolarHBondContact O-N 3.36Å; V98-Q101 PolarHBondContact O-N 3.31Å
102	N	71.6	Confident	84.4	Confident	37 Å²	37	69.4 Å²	69.4	20%	0.198	34%	0.338	C	S	.	.			trans	-137.4	37.2	-164.4	-71.4	-56.5	0	0	0	113	V98 D104 K105	V98-N102 HydrophobicContact CG1-CB 4.13Å; V98-N102 PolarHBondContact O-N 3.24Å; N102-D104 PolarHBondContact O-N 3.24Å; N102-D104 VanDerWaalsContact O-N 3.17Å; N102-K105 HydrophobicContact CB-CB 4.29Å; N102-K105 HydrophobicContact CB-CD 4.32Å; N102-K105 PolarHBondContact O-N 3.13Å; N102-K105 PolarHBondContact OD1-NZ 3.18Å
103	R	74.3	Confident	84.1	Confident	146 Å²	146	72.7 Å²	72.7	55%	0.551	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-51.9	-42.6	-176.6	-171	173	-173	-167.4	1.2	113.1	K105 L106 G132 W133	R103-K105 PolarHBondContact O-N 3.04Å; R103-L106 PolarHBondContact O-N 2.66Å; R103-G132 PolarHBondContact NH2-O 3.36Å; R103-W133 HydrophobicContact CB-CZ2 4.46Å; R103-W133 HydrophobicContact CG-CH2 3.98Å; R103-W133 HydrophobicContact CG-CZ2 3.85Å
104	D	75.2	Confident	83.9	Confident	150 Å²	150	72.9 Å²	72.9	80%	0.802	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-71.1	-16.6	-177.7	-56.6	-37.9	0	0	0	114	N102	N102-D104 PolarHBondContact O-N 3.24Å; N102-D104 VanDerWaalsContact O-N 3.17Å
105	K	77.8	Confident	84	Confident	141 Å²	141	73 Å²	73	61%	0.613	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-97.4	2.5	-179.3	-59.5	-179.4	-175.7	162.7	0	113	W53 N102 R103	W53-K105 WeakPolarHBondContact CZ2-O 3.47Å; N102-K105 HydrophobicContact CB-CB 4.29Å; N102-K105 HydrophobicContact CB-CD 4.32Å; N102-K105 PolarHBondContact O-N 3.13Å; N102-K105 PolarHBondContact OD1-NZ 3.18Å; R103-K105 PolarHBondContact O-N 3.04Å
106	L	83.2	Confident	84	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.079	37%	0.374	C	S	.	.	S	Bend	trans	-81.4	153.4	177.7	-68	163.6	0	0	0	110.2	W53 F94 V98 L99 R103 K108 W133	W53-L106 HydrophobicContact CG-CD2 4.38Å; F94-L106 HydrophobicContact CD1-CD2 3.53Å; F94-L106 HydrophobicContact CE1-CD2 3.49Å; F94-L106 VanDerWaalsContact CE1-CD2 3.49Å; V98-L106 HydrophobicContact CG1-CD2 4.18Å; L99-L106 HydrophobicContact CD2-CD1 3.46Å; L99-L106 VanDerWaalsContact CD2-CD1 3.46Å; L99-L106 HydrophobicContact CD2-CD2 4.17Å; R103-L106 PolarHBondContact O-N 2.66Å; L106-K108 PolarHBondContact O-N 2.83Å; L106-W133 HydrophobicContact CD1-CH2 3.18Å; L106-W133 HydrophobicContact CD1-CZ2 3.73Å; L106-W133 HydrophobicContact CD1-CZ3 4.07Å
107	P	85.1	Confident	84.3	Confident	19 Å²	19	73 Å²	73	12%	0.123	37%	0.373	C	S	.	.			trans	-53.8	135.2	173	-24.9	36.2	0	0	0	110.4	W53 L86 F94 W116	W53-P107 HydrophobicContact CD2-CG 4.31Å; W53-P107 HydrophobicContact CE3-CG 3.84Å; W53-P107 HydrophobicContact CH2-CG 3.38Å; W53-P107 HydrophobicContact CZ2-CG 3.87Å; W53-P107 HydrophobicContact CZ3-CG 3.36Å; L86-P107 HydrophobicContact CD1-CG 4.15Å; L86-P107 HydrophobicContact CD2-CB 3.83Å; L86-P107 HydrophobicContact CD2-CG 3.77Å; F94-P107 HydrophobicContact CE1-CG 4.48Å; F94-P107 HydrophobicContact CZ-CG 4.26Å; P107-W116 HydrophobicContact CB-CH2 4.08Å; P107-W116 HydrophobicContact CB-CZ2 3.83Å; P107-W116 VanDerWaalsContact O-CH2 3.26Å; P107-W116 WeakPolarHBondContact O-CH2 3.46Å
108	K	81.1	Confident	84.7	Confident	195 Å²	195	69.2 Å²	69.2	85%	0.848	35%	0.353	S	S	*	.	S	Bend	trans	-89.2	-25.4	175.9	-66.7	-177.8	179.6	179.8	0	112.3	L106	L106-K108 PolarHBondContact O-N 2.83Å
109	E	83.1	Confident	85.4	Confident	167 Å²	167	69 Å²	69	78%	0.78	35%	0.352	S	S	*	.			trans	-117.7	137.1	-177.4	-65.4	-178.5	-175	0	0	110.1
110	K	88.6	Confident	86	Confident	82 Å²	82	68.9 Å²	68.9	36%	0.357	35%	0.351	S	S	.	.			trans	-108.6	112	175.8	-174.6	167.7	79.4	93.4	0	108.4	Q114 W116 N138	K110-Q114 HydrophobicContact CG-CB 4.24Å; K110-Q114 HydrophobicContact CG-CG 4.48Å; K110-Q114 PolarHBondContact NZ-O 2.85Å; K110-W116 HydrophobicContact CB-CH2 4.43Å; K110-W116 HydrophobicContact CB-CZ2 3.75Å; K110-W116 HydrophobicContact CD-CB 4.33Å; K110-W116 HydrophobicContact CD-CD2 3.76Å; K110-W116 HydrophobicContact CD-CG 3.61Å; K110-W116 HydrophobicContact CD-CZ2 4.44Å; K110-W116 HydrophobicContact CG-CD2 4.32Å; K110-W116 HydrophobicContact CG-CG 4.36Å; K110-W116 HydrophobicContact CG-CZ2 4.19Å; K110-N138 PolarHBondContact NZ-OD1 2.85Å
111	P	90.6	Very high	87.1	Confident	39 Å²	39	66 Å²	66	25%	0.253	34%	0.338	S	S	.	.			trans	-52.1	146.5	176.4	-28.2	34.8	0	0	0	112.7	G113 Q114	P111-G113 PolarHBondContact O-N 2.84Å; P111-Q114 HydrophobicContact CB-CB 4.25Å; P111-Q114 VanDerWaalsContact O-CB 3.32Å; P111-Q114 WeakPolarHBondContact O-CB 3.48Å; P111-Q114 PolarHBondContact O-N 3.01Å; P111-Q114 VanDerWaalsContact O-N 3.1Å
112	P	89.1	Confident	88.2	Confident	137 Å²	137	62.1 Å²	62.1	89%	0.89	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	135.5	174	-25.1	34.4	0	0	0	111.6	Q114	P112-Q114 PolarHBondContact O-N 2.8Å
113	G	89.2	Confident	89.4	Confident	70 Å²	70	60.4 Å²	60.4	72%	0.722	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-16.4	-177.8	0	0	0	0	0	115.2	P111	P111-G113 PolarHBondContact O-N 2.84Å
114	Q	94.1	Very high	90.5	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.019	29%	0.287	C	S	.	.			trans	-74.8	137.4	175.7	-176.9	175.2	99.5	0	0	111.5	L86 A89 D90 V92 K110 P111 P112	L86-Q114 PolarHBondContact O-NE2 3.43Å; A89-Q114 WeakPolarHBondContact O-CG 3.21Å; A89-Q114 PolarHBondContact O-NE2 3.28Å; D90-Q114 WeakPolarHBondContact O-CA 3.43Å; V92-Q114 HydrophobicContact CG2-CG 4Å; V92-Q114 VanDerWaalsContact CG2-OE1 3.28Å; K110-Q114 HydrophobicContact CG-CB 4.24Å; K110-Q114 HydrophobicContact CG-CG 4.48Å; K110-Q114 PolarHBondContact NZ-O 2.85Å; P111-Q114 HydrophobicContact CB-CB 4.25Å; P111-Q114 VanDerWaalsContact O-CB 3.32Å; P111-Q114 WeakPolarHBondContact O-CB 3.48Å; P111-Q114 PolarHBondContact O-N 3.01Å; P111-Q114 VanDerWaalsContact O-N 3.1Å; P112-Q114 PolarHBondContact O-N 2.8Å
115	S	95.8	Very high	91.4	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.028	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.7	176.1	-67.6	0	0	0	0	112.1	D90 V91 V92 N138 W139	D90-S115 PolarHBondContact O-N 3.18Å; V91-S115 VanDerWaalsContact CA-O 3.31Å; V91-S115 WeakPolarHBondContact CA-O 3.41Å; V92-S115 PolarHBondContact N-O 3.02Å; S115-N138 WeakPolarHBondContact CA-OD1 3.47Å; S115-W139 VanDerWaalsContact OG-CH2 3.29Å; S115-W139 WeakPolarHBondContact OG-CH2 3.33Å; S115-W139 WeakPolarHBondContact OG-CZ2 3.41Å
116	W	96.1	Very high	92.2	Very high	19 Å²	19	46.4 Å²	46.4	7%	0.072	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.3	174.6	-71.8	6.2	0	0	0	110.6	V92 F94 P107 K110 T136 F137 N138 W139	V92-W116 WeakPolarHBondContact O-CA 3.45Å; F94-W116 HydrophobicContact CD2-CB 4.35Å; F94-W116 HydrophobicContact CD2-CG 4.43Å; F94-W116 HydrophobicContact CE2-CB 4.01Å; F94-W116 AromaticContact CE2-CD1 4Å; F94-W116 AromaticContact CE2-CD2 3.59Å; F94-W116 HydrophobicContact CE2-CD2 3.59Å; F94-W116 AromaticContact CE2-CE3 3.95Å; F94-W116 HydrophobicContact CE2-CE3 3.95Å; F94-W116 AromaticContact CE2-CG 3.62Å; F94-W116 HydrophobicContact CE2-CG 3.62Å; F94-W116 HydrophobicContact CZ-CD2 4.07Å; F94-W116 HydrophobicContact CZ-CE3 4.3Å; F94-W116 HydrophobicContact CZ-CG 4.47Å; P107-W116 HydrophobicContact CB-CH2 4.08Å; P107-W116 HydrophobicContact CB-CZ2 3.83Å; P107-W116 VanDerWaalsContact O-CH2 3.26Å; P107-W116 WeakPolarHBondContact O-CH2 3.46Å; K110-W116 HydrophobicContact CB-CH2 4.43Å; K110-W116 HydrophobicContact CB-CZ2 3.75Å; K110-W116 HydrophobicContact CD-CB 4.33Å; K110-W116 HydrophobicContact CD-CD2 3.76Å; K110-W116 HydrophobicContact CD-CG 3.61Å; K110-W116 HydrophobicContact CD-CZ2 4.44Å; K110-W116 HydrophobicContact CG-CD2 4.32Å; K110-W116 HydrophobicContact CG-CG 4.36Å; K110-W116 HydrophobicContact CG-CZ2 4.19Å; W116-T136 HydrophobicContact CE3-CG2 3.67Å; W116-T136 HydrophobicContact CZ3-CG2 3.76Å; W116-F137 HydrophobicContact CB-CD1 3.96Å; W116-F137 HydrophobicContact CB-CE1 4.45Å; W116-N138 PolarHBondContact N-OD1 2.87Å; W116-N138 PolarHBondContact O-N 3.07Å; W116-W139 PolarHBondContact O-N 3.25Å
117	L	97.1	Very high	92.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.3	-178.2	179	68.9	0	0	0	109.8	V91 V92 V93 F94 W139 M141 I149 I320	V91-L117 HydrophobicContact CG1-CB 4.09Å; V92-L117 PolarHBondContact O-N 3.2Å; V93-L117 HydrophobicContact CG1-CD2 4.26Å; V93-L117 HydrophobicContact CG2-CB 4.46Å; V93-L117 HydrophobicContact CG2-CD2 4.05Å; F94-L117 PolarHBondContact N-O 3.05Å; L117-W139 HydrophobicContact CD1-CB 3.42Å; L117-W139 VanDerWaalsContact CD1-CB 3.42Å; L117-W139 HydrophobicContact CD1-CE3 4.5Å; L117-M141 HydrophobicContact CD1-CB 3.91Å; L117-M141 HydrophobicContact CD2-CB 4.15Å; L117-M141 HydrophobicContact CD2-SD 3.73Å; L117-M141 HydrophobicContact CG-CB 4.17Å; L117-I149 HydrophobicContact CD1-CD1 4.21Å; L117-I149 HydrophobicContact CD2-CD1 4.04Å; L117-I320 HydrophobicContact CD2-CD1 3.44Å; L117-I320 VanDerWaalsContact CD2-CD1 3.44Å; L117-I320 HydrophobicContact CD2-CG1 3.72Å
118	W	96.6	Very high	92.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.4	168.8	177	70.8	0	0	0	110.4	H96 S120 T127 L130 F137 W139 V140 M141 T142 L336 W339 F340	H96-W118 HydrophobicContact CB-CZ2 4.13Å; H96-W118 AromaticContact CG-NE1 3.78Å; H96-W118 AromaticContact ND1-CZ2 4Å; H96-W118 AromaticContact ND1-NE1 3.39Å; H96-W118 PolarHBondContact ND1-NE1 3.29Å; W118-S120 VanDerWaalsContact CZ2-CB 3.4Å; W118-T127 HydrophobicContact CZ2-CG2 3.98Å; W118-L130 HydrophobicContact CZ2-CD1 4.5Å; W118-L130 HydrophobicContact CZ2-CD2 3.97Å; W118-F137 HydrophobicContact CB-CB 4.14Å; W118-F137 HydrophobicContact CB-CD1 3.71Å; W118-F137 HydrophobicContact CB-CD2 3.8Å; W118-F137 HydrophobicContact CB-CE1 4.05Å; W118-F137 HydrophobicContact CB-CE2 4.1Å; W118-F137 HydrophobicContact CB-CG 3.59Å; W118-F137 HydrophobicContact CB-CZ 4.24Å; W118-F137 HydrophobicContact CG-CD2 4.38Å; W118-F137 HydrophobicContact CG-CE2 4.37Å; W118-W139 PolarHBondContact N-O 3.01Å; W118-V140 HydrophobicContact CE3-CB 4.06Å; W118-V140 HydrophobicContact CE3-CG1 3.99Å; W118-V140 CarbonylContact O-C 3.53Å; W118-V140 WeakPolarHBondContact O-CA 3.04Å; W118-M141 PolarHBondContact O-N 3.22Å; W118-T142 HydrophobicContact CE3-CG2 4.05Å; W118-T142 HydrophobicContact CH2-CG2 4.09Å; W118-T142 HydrophobicContact CZ3-CG2 3.37Å; W118-L336 HydrophobicContact CB-CD2 4.21Å; W118-L336 HydrophobicContact CD2-CD1 4.31Å; W118-L336 HydrophobicContact CD2-CD2 3.78Å; W118-L336 HydrophobicContact CE3-CD1 3.83Å; W118-L336 HydrophobicContact CE3-CD2 4.16Å; W118-L336 HydrophobicContact CE3-CG 4.47Å; W118-L336 HydrophobicContact CG-CD2 3.79Å; W118-L336 HydrophobicContact CZ3-CD1 4.18Å; W118-W339 HydrophobicContact CZ3-CZ3 4.07Å; W118-F340 AromaticContact CH2-CD1 3.97Å; W118-F340 HydrophobicContact CH2-CD1 3.97Å; W118-F340 HydrophobicContact CH2-CD2 4.2Å; W118-F340 AromaticContact CH2-CE1 3.84Å; W118-F340 HydrophobicContact CH2-CE1 3.84Å; W118-F340 HydrophobicContact CH2-CE2 4.11Å; W118-F340 HydrophobicContact CH2-CG 4.15Å; W118-F340 AromaticContact CH2-CZ 3.9Å; W118-F340 HydrophobicContact CH2-CZ 3.9Å; W118-F340 HydrophobicContact CZ3-CD2 4.34Å; W118-F340 HydrophobicContact CZ3-CE2 4.41Å
119	V	97	Very high	93.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.5	178.4	63.1	0	0	0	0	112.4	V93 F94 H95 H96 M141 I151 W313	V93-V119 HydrophobicContact CG1-CB 4.25Å; V93-V119 HydrophobicContact CG1-CG1 3.51Å; F94-V119 PolarHBondContact O-N 2.98Å; H95-V119 WeakPolarHBondContact CA-O 3.27Å; H95-V119 HydrophobicContact CB-CG1 4.1Å; H96-V119 PolarHBondContact N-O 3.11Å; V119-M141 VanDerWaalsContact CA-O 3.31Å; V119-M141 WeakPolarHBondContact CA-O 3.05Å; V119-M141 HydrophobicContact CB-CB 4.07Å; V119-M141 HydrophobicContact CB-CG 4.37Å; V119-M141 HydrophobicContact CB-SD 4.34Å; V119-M141 HydrophobicContact CG2-CB 4.01Å; V119-M141 HydrophobicContact CG2-CG 3.81Å; V119-M141 WeakPolarHBondContact CG2-O 3.42Å; V119-M141 HydrophobicContact CG2-SD 3.91Å; V119-I151 HydrophobicContact CG2-CD1 3.85Å; V119-W313 HydrophobicContact CG2-CH2 4.09Å; V119-W313 HydrophobicContact CG2-CZ3 3.78Å
120	S	95.9	Very high	93.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	23%	0.229	C	C	.	.			trans	-153.2	143.8	172.4	-174.9	0	0	0	0	111.4	W118 E122 M141 T142	W118-S120 VanDerWaalsContact CZ2-CB 3.4Å; S120-E122 PolarHBondContact OG-N 3.2Å; S120-E122 PolarHBondContact OG-O 3.38Å; S120-M141 PolarHBondContact N-O 3.02Å; S120-M141 VanDerWaalsContact N-O 3.16Å; S120-T142 VanDerWaalsContact O-CA 3.3Å; S120-T142 WeakPolarHBondContact O-CA 3.38Å; S120-T142 WeakPolarHBondContact O-CB 3.4Å
121	L	95.9	Very high	93.5	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.094	23%	0.231	C	C	.	.			trans	-104.2	-6.5	165.8	-74	176.5	0	0	0	113	Y143 I151 Y153 Y236 W313	L121-Y143 WeakPolarHBondContact O-CD1 3.44Å; L121-I151 HydrophobicContact CD2-CD1 3.71Å; L121-I151 HydrophobicContact CD2-CG1 4Å; L121-I151 VanDerWaalsContact CD2-O 3.26Å; L121-I151 WeakPolarHBondContact CD2-O 3.21Å; L121-I151 HydrophobicContact CG-CD1 4.12Å; L121-Y153 HydrophobicContact CB-CE2 4.14Å; L121-Y153 HydrophobicContact CD2-CE2 4.16Å; L121-Y153 PolarHBondContact O-OH 2.98Å; L121-Y236 WeakPolarHBondContact O-CE2 3.1Å; L121-W313 HydrophobicContact CD1-CH2 3.78Å; L121-W313 HydrophobicContact CD1-CZ2 3.71Å; L121-W313 HydrophobicContact CG-CH2 3.86Å; L121-W313 HydrophobicContact CG-CZ2 4.17Å
122	E	95.6	Very high	93.3	Very high	59 Å²	59	36.2 Å²	36.2	28%	0.276	23%	0.234	S	C	.	.	S	Bend	trans	-86.2	149.5	-178.3	-174.5	52	-101.2	0	0	110.9	S120 N126 T127 Y236 F340	S120-E122 PolarHBondContact OG-N 3.2Å; S120-E122 PolarHBondContact OG-O 3.38Å; E122-N126 HydrophobicContact CG-CB 3.36Å; E122-N126 VanDerWaalsContact OE1-CB 3.26Å; E122-N126 WeakPolarHBondContact OE1-CB 3.09Å; E122-N126 PolarHBondContact OE1-ND2 2.86Å; E122-T127 PolarHBondContact O-OG1 2.84Å; E122-Y236 PolarHBondContact OE1-OH 3.37Å; E122-Y236 VanDerWaalsContact OE1-OH 3.1Å; E122-F340 WeakPolarHBondContact O-CZ 3.23Å
123	S	96.7	Very high	93.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.196	C	C	.	.			trans	-67.6	159.5	179.7	61.9	0	0	0	0	113.8	T125 N126 T127 S231	S123-T125 VanDerWaalsContact C-N 3.34Å; S123-T125 PolarHBondContact O-N 3.27Å; S123-N126 CarbonylContact O-C 3.55Å; S123-N126 PolarHBondContact O-N 3.05Å; S123-N126 PolarHBondContact OG-ND2 3.11Å; S123-T127 VanDerWaalsContact O-CB 3.3Å; S123-T127 WeakPolarHBondContact O-CB 3.33Å; S123-T127 PolarHBondContact O-N 2.04Å; S123-T127 PolarHBondContact O-OG1 3.14Å; S123-S231 WeakPolarHBondContact CB-OG 3.11Å; S123-S231 PolarHBondContact OG-OG 2.83Å
124	P	96.2	Very high	93.3	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.045	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-53.1	-45.5	175.6	-26.5	29.2	0	0	0	113.8	N126 T127 Y143 H233 F340 N341	P124-N126 PolarHBondContact O-N 1.99Å; P124-N126 VanDerWaalsContact O-N 3.07Å; P124-T127 PolarHBondContact O-N 3Å; P124-T127 VanDerWaalsContact O-O 3.13Å; P124-Y143 WeakPolarHBondContact CD-OH 3.22Å; P124-H233 WeakPolarHBondContact CG-ND1 3.37Å; P124-F340 HydrophobicContact CB-CD1 3.86Å; P124-F340 HydrophobicContact CB-CE1 4.06Å; P124-F340 HydrophobicContact CB-CG 4.43Å; P124-F340 HydrophobicContact CG-CD1 3.67Å; P124-F340 HydrophobicContact CG-CD2 4.18Å; P124-F340 HydrophobicContact CG-CE1 3.71Å; P124-F340 HydrophobicContact CG-CE2 4.2Å; P124-F340 HydrophobicContact CG-CG 3.92Å; P124-F340 HydrophobicContact CG-CZ 3.98Å; P124-F340 WeakPolarHBondContact CG-O 3.4Å; P124-N341 VanDerWaalsContact CB-OD1 3.25Å; P124-N341 WeakPolarHBondContact CB-OD1 3.1Å
125	T	95.1	Very high	93.2	Very high	89 Å²	89	39.7 Å²	39.7	55%	0.546	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-56.3	-30.5	178	-62.6	0	0	0	0	113.5	S123 H233	S123-T125 VanDerWaalsContact C-N 3.34Å; S123-T125 PolarHBondContact O-N 3.27Å; T125-H233 PolarHBondContact N-NE2 3.39Å; T125-H233 PolarHBondContact OG1-NE2 3.38Å
126	N	93.7	Very high	93	Very high	48 Å²	48	41 Å²	41	26%	0.257	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-104.4	4.1	-177.2	-62.4	-36	0	0	0	112.6	E122 S123 P124 N230	E122-N126 HydrophobicContact CG-CB 3.36Å; E122-N126 VanDerWaalsContact OE1-CB 3.26Å; E122-N126 WeakPolarHBondContact OE1-CB 3.09Å; E122-N126 PolarHBondContact OE1-ND2 2.86Å; S123-N126 CarbonylContact O-C 3.55Å; S123-N126 PolarHBondContact O-N 3.05Å; S123-N126 PolarHBondContact OG-ND2 3.11Å; P124-N126 PolarHBondContact O-N 1.99Å; P124-N126 VanDerWaalsContact O-N 3.07Å; N126-N230 VanDerWaalsContact ND2-CG 3.29Å; N126-N230 PolarHBondContact ND2-ND2 3.11Å; N126-N230 PolarHBondContact ND2-OD1 3.16Å
127	T	93.5	Very high	93	Very high	10 Å²	10	40.2 Å²	40.2	6%	0.061	22%	0.222	C	C	.	.			trans	-110.7	104.9	-179.3	-62.3	0	0	0	0	108.1	H96 W118 E122 S123 P124 L130 F340	H96-T127 VanDerWaalsContact CD2-CG2 3.47Å; H96-T127 WeakPolarHBondContact CD2-CG2 3.43Å; H96-T127 VanDerWaalsContact CE1-CG2 3.4Å; H96-T127 WeakPolarHBondContact CE1-CG2 3.47Å; H96-T127 WeakPolarHBondContact NE2-CG2 3.38Å; W118-T127 HydrophobicContact CZ2-CG2 3.98Å; E122-T127 PolarHBondContact O-OG1 2.84Å; S123-T127 VanDerWaalsContact O-CB 3.3Å; S123-T127 WeakPolarHBondContact O-CB 3.33Å; S123-T127 PolarHBondContact O-N 2.04Å; S123-T127 PolarHBondContact O-OG1 3.14Å; P124-T127 PolarHBondContact O-N 3Å; P124-T127 VanDerWaalsContact O-O 3.13Å; T127-L130 HydrophobicContact CG2-CD1 3.69Å; T127-L130 HydrophobicContact CG2-CD2 4.16Å; T127-L130 HydrophobicContact CG2-CG 3.91Å; T127-F340 HydrophobicContact CG2-CD1 4.2Å; T127-F340 HydrophobicContact CG2-CE1 3.86Å
128	K	90.6	Very high	92.9	Very high	149 Å²	149	40.4 Å²	40.4	65%	0.648	22%	0.223	S	C	*	.			trans	-100.3	163.1	-173.3	-60.2	-176.7	-178.6	-179	0	112.2	H96 Q100 L130	H96-K128 PolarHBondContact CE1-O 3.04Å; H96-K128 PolarHBondContact NE2-N 3.26Å; H96-K128 PolarHBondContact NE2-O 2.92Å; Q100-K128 VanDerWaalsContact NE2-N 3.12Å; Q100-K128 PolarHBondContact NE2-O 2.84Å; K128-L130 PolarHBondContact O-N 3.48Å
129	A	88.5	Confident	93	Very high	60 Å²	60	40.4 Å²	40.4	50%	0.496	22%	0.223	S	C	.	.			trans	62.5	33.9	171.1	0	0	0	0	0	114.8	W133	A129-W133 PolarHBondContact O-NE1 3.07Å
130	L	89.8	Confident	93	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	22%	0.223	C	C	.	.			trans	-77.7	-28	173.6	-71.6	179.7	0	0	0	112.9	W118 T127 K128 G132 W133 L336 E337 F340	W118-L130 HydrophobicContact CZ2-CD1 4.5Å; W118-L130 HydrophobicContact CZ2-CD2 3.97Å; T127-L130 HydrophobicContact CG2-CD1 3.69Å; T127-L130 HydrophobicContact CG2-CD2 4.16Å; T127-L130 HydrophobicContact CG2-CG 3.91Å; K128-L130 PolarHBondContact O-N 3.48Å; L130-G132 PolarHBondContact O-N 3.23Å; L130-W133 PolarHBondContact O-N 3.09Å; L130-L336 HydrophobicContact CD2-CD2 3.89Å; L130-L336 HydrophobicContact CD2-CG 4.31Å; L130-E337 HydrophobicContact CB-CB 3.66Å; L130-E337 HydrophobicContact CB-CG 3.98Å; L130-F340 HydrophobicContact CD1-CB 4.15Å; L130-F340 HydrophobicContact CD1-CD1 3.67Å; L130-F340 HydrophobicContact CD1-CG 4.31Å
131	A	87	Confident	93.1	Very high	50 Å²	50	40.3 Å²	40.3	41%	0.413	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-49.1	-32.1	176.6	0	0	0	0	0	114.5	W133 E337	A131-W133 VanDerWaalsContact C-N 3.26Å; A131-W133 PolarHBondContact O-N 3.12Å; A131-E337 VanDerWaalsContact CB-OE2 3.3Å; A131-E337 WeakPolarHBondContact CB-OE2 3.34Å; A131-E337 PolarHBondContact N-OE1 2.66Å; A131-E337 VanDerWaalsContact N-OE1 3.16Å
132	G	86.3	Confident	93.2	Very high	31 Å²	31	39.4 Å²	39.4	32%	0.32	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-77.9	-1.3	-179.2	0	0	0	0	0	115.5	R103 L130	R103-G132 PolarHBondContact NH2-O 3.36Å; L130-G132 PolarHBondContact O-N 3.23Å
133	W	88.2	Confident	93.3	Very high	22 Å²	22	36.8 Å²	36.8	8%	0.083	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-116.3	24.2	-171.4	-62.7	99.4	0	0	0	113.6	L99 R103 L106 A129 L130 A131 T136 F137	L99-W133 HydrophobicContact CB-CZ2 3.79Å; L99-W133 HydrophobicContact CD1-CD2 4.1Å; L99-W133 HydrophobicContact CD1-CG 4.39Å; L99-W133 HydrophobicContact CD1-CZ2 4.49Å; L99-W133 HydrophobicContact CD2-CH2 3.89Å; L99-W133 HydrophobicContact CD2-CZ2 3.78Å; L99-W133 HydrophobicContact CD2-CZ3 4.23Å; L99-W133 HydrophobicContact CG-CZ2 4.22Å; R103-W133 HydrophobicContact CB-CZ2 4.46Å; R103-W133 HydrophobicContact CG-CH2 3.98Å; R103-W133 HydrophobicContact CG-CZ2 3.85Å; L106-W133 HydrophobicContact CD1-CH2 3.18Å; L106-W133 HydrophobicContact CD1-CZ2 3.73Å; L106-W133 HydrophobicContact CD1-CZ3 4.07Å; A129-W133 PolarHBondContact O-NE1 3.07Å; L130-W133 PolarHBondContact O-N 3.09Å; A131-W133 VanDerWaalsContact C-N 3.26Å; A131-W133 PolarHBondContact O-N 3.12Å; W133-T136 HydrophobicContact CE3-CG2 3.71Å; W133-T136 HydrophobicContact CZ3-CG2 4.05Å; W133-T136 PolarHBondContact O-N 3.15Å; W133-T136 PolarHBondContact O-OG1 3.49Å; W133-F137 HydrophobicContact CB-CD2 4.32Å; W133-F137 HydrophobicContact CB-CE2 3.88Å; W133-F137 AromaticContact CD2-CE2 3.97Å; W133-F137 HydrophobicContact CD2-CE2 3.97Å; W133-F137 HydrophobicContact CD2-CZ 4.4Å; W133-F137 AromaticContact CE3-CE2 3.73Å; W133-F137 HydrophobicContact CE3-CE2 3.73Å; W133-F137 AromaticContact CE3-CZ 3.92Å; W133-F137 HydrophobicContact CE3-CZ 3.92Å; W133-F137 HydrophobicContact CG-CE2 4.03Å; W133-F137 HydrophobicContact CZ3-CZ 4.47Å
134	K	90.2	Very high	93.3	Very high	108 Å²	108	37.1 Å²	37.1	47%	0.47	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	141	173.7	-64	-170.5	-171.5	-147.6	0	110.2	T136 P334 D335	K134-T136 PolarHBondContact O-N 3.39Å; K134-T136 PolarHBondContact O-OG1 3.41Å; K134-T136 VanDerWaalsContact O-OG1 3.12Å; K134-P334 WeakPolarHBondContact CB-O 3.39Å; K134-D335 VanDerWaalsContact CE-OD2 3.25Å; K134-D335 WeakPolarHBondContact CE-OD2 3.29Å; K134-D335 IonicContact NZ-OD2 3.14Å; K134-D335 PolarHBondContact NZ-OD2 3.13Å
135	Q	91.6	Very high	93.4	Very high	153 Å²	153	39.7 Å²	39.7	72%	0.715	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	26.2	178	-56.5	-177.6	7.2	0	0	114.9	V332 Y333 P334	Q135-V332 HydrophobicContact CB-CG1 4.27Å; Q135-V332 VanDerWaalsContact O-CG1 3.3Å; Q135-V332 WeakPolarHBondContact O-CG1 3.43Å; Q135-Y333 VanDerWaalsContact CA-O 3.29Å; Q135-Y333 WeakPolarHBondContact CA-O 3.42Å; Q135-Y333 PolarHBondContact N-O 2.91Å; Q135-Y333 VanDerWaalsContact N-O 3.09Å; Q135-P334 PolarHBondContact N-O 3.42Å
136	T	91.8	Very high	93.4	Very high	33 Å²	33	38.1 Å²	38.1	20%	0.202	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-45.3	-176.9	-55.2	0	0	0	0	112.8	W116 W133 K134	W116-T136 HydrophobicContact CE3-CG2 3.67Å; W116-T136 HydrophobicContact CZ3-CG2 3.76Å; W133-T136 HydrophobicContact CE3-CG2 3.71Å; W133-T136 HydrophobicContact CZ3-CG2 4.05Å; W133-T136 PolarHBondContact O-N 3.15Å; W133-T136 PolarHBondContact O-OG1 3.49Å; K134-T136 PolarHBondContact O-N 3.39Å; K134-T136 PolarHBondContact O-OG1 3.41Å; K134-T136 VanDerWaalsContact O-OG1 3.12Å
137	F	94.9	Very high	93.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	20%	0.195	C	C	.	.			trans	-97.6	137.6	-172.2	-63.9	-74.1	0	0	0	112.1	F94 L99 W116 W118 W133 Y333 L336	F94-F137 HydrophobicContact CB-CE1 3.85Å; F94-F137 HydrophobicContact CB-CZ 4.23Å; F94-F137 HydrophobicContact CD2-CD1 4.43Å; F94-F137 AromaticContact CD2-CE1 3.63Å; F94-F137 HydrophobicContact CD2-CE1 3.63Å; F94-F137 HydrophobicContact CE2-CE1 4.43Å; F94-F137 AromaticContact CG-CE1 3.96Å; F94-F137 HydrophobicContact CG-CE1 3.96Å; L99-F137 HydrophobicContact CD1-CE2 3.78Å; L99-F137 HydrophobicContact CD1-CZ 3.52Å; L99-F137 HydrophobicContact CD2-CZ 4.13Å; L99-F137 HydrophobicContact CG-CZ 4.48Å; W116-F137 HydrophobicContact CB-CD1 3.96Å; W116-F137 HydrophobicContact CB-CE1 4.45Å; W118-F137 HydrophobicContact CB-CB 4.14Å; W118-F137 HydrophobicContact CB-CD1 3.71Å; W118-F137 HydrophobicContact CB-CD2 3.8Å; W118-F137 HydrophobicContact CB-CE1 4.05Å; W118-F137 HydrophobicContact CB-CE2 4.1Å; W118-F137 HydrophobicContact CB-CG 3.59Å; W118-F137 HydrophobicContact CB-CZ 4.24Å; W118-F137 HydrophobicContact CG-CD2 4.38Å; W118-F137 HydrophobicContact CG-CE2 4.37Å; W133-F137 HydrophobicContact CB-CD2 4.32Å; W133-F137 HydrophobicContact CB-CE2 3.88Å; W133-F137 AromaticContact CD2-CE2 3.97Å; W133-F137 HydrophobicContact CD2-CE2 3.97Å; W133-F137 HydrophobicContact CD2-CZ 4.4Å; W133-F137 AromaticContact CE3-CE2 3.73Å; W133-F137 HydrophobicContact CE3-CE2 3.73Å; W133-F137 AromaticContact CE3-CZ 3.92Å; W133-F137 HydrophobicContact CE3-CZ 3.92Å; W133-F137 HydrophobicContact CG-CE2 4.03Å; W133-F137 HydrophobicContact CZ3-CZ 4.47Å; F137-Y333 PolarHBondContact O-N 2.87Å; F137-L336 HydrophobicContact CD2-CD2 3.77Å; F137-L336 HydrophobicContact CE2-CD2 4.2Å
138	N	96.5	Very high	93.8	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	-76.1	-40.7	174.5	-67.7	95.7	0	0	0	111	K110 S115 W116 R331 Y333	K110-N138 PolarHBondContact NZ-OD1 2.85Å; S115-N138 WeakPolarHBondContact CA-OD1 3.47Å; W116-N138 PolarHBondContact N-OD1 2.87Å; W116-N138 PolarHBondContact O-N 3.07Å; N138-R331 VanDerWaalsContact CA-O 3.25Å; N138-R331 WeakPolarHBondContact CA-O 3.17Å; N138-R331 WeakPolarHBondContact CB-O 3.4Å; N138-R331 PolarHBondContact ND2-O 2.92Å; N138-Y333 WeakPolarHBondContact O-CD2 3.29Å; N138-Y333 WeakPolarHBondContact O-CE2 3.43Å
139	W	97.4	Very high	94.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.8	-173.7	-54.2	-44.1	0	0	0	112	V91 S115 W116 L117 W118 D148 Y324 L327 P328	V91-W139 HydrophobicContact CG1-CZ3 4.14Å; V91-W139 HydrophobicContact CG2-CH2 4.41Å; V91-W139 HydrophobicContact CG2-CZ3 3.79Å; S115-W139 VanDerWaalsContact OG-CH2 3.29Å; S115-W139 WeakPolarHBondContact OG-CH2 3.33Å; S115-W139 WeakPolarHBondContact OG-CZ2 3.41Å; W116-W139 PolarHBondContact O-N 3.25Å; L117-W139 HydrophobicContact CD1-CB 3.42Å; L117-W139 VanDerWaalsContact CD1-CB 3.42Å; L117-W139 HydrophobicContact CD1-CE3 4.5Å; W118-W139 PolarHBondContact N-O 3.01Å; W139-D148 VanDerWaalsContact CA-OD2 3.3Å; W139-D148 WeakPolarHBondContact CA-OD2 3.19Å; W139-D148 HydrophobicContact CB-CB 4.09Å; W139-D148 HydrophobicContact CG-CB 4.46Å; W139-Y324 AromaticContact CH2-CD2 3.79Å; W139-Y324 HydrophobicContact CH2-CD2 3.79Å; W139-Y324 AromaticContact CH2-CE2 3.62Å; W139-Y324 HydrophobicContact CH2-CE2 3.62Å; W139-Y324 HydrophobicContact CZ3-CD2 4.04Å; W139-Y324 HydrophobicContact CZ3-CE2 4.14Å; W139-L327 HydrophobicContact CD2-CB 4.26Å; W139-L327 HydrophobicContact CD2-CD1 3.64Å; W139-L327 HydrophobicContact CD2-CG 4.44Å; W139-L327 HydrophobicContact CE3-CD1 3.57Å; W139-L327 HydrophobicContact CG-CD1 4.27Å; W139-L327 HydrophobicContact CH2-CB 4.28Å; W139-L327 HydrophobicContact CH2-CD1 3.98Å; W139-L327 HydrophobicContact CZ2-CB 3.66Å; W139-L327 HydrophobicContact CZ2-CD1 4.06Å; W139-L327 HydrophobicContact CZ3-CD1 3.73Å; W139-P328 PolarHBondContact NE1-O 3.31Å
140	V	97.4	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.2	174.1	-57.4	0	0	0	0	111.4	W118 D148 I149 Y333 L336 W339	W118-V140 HydrophobicContact CE3-CB 4.06Å; W118-V140 HydrophobicContact CE3-CG1 3.99Å; W118-V140 CarbonylContact O-C 3.53Å; W118-V140 WeakPolarHBondContact O-CA 3.04Å; V140-D148 PolarHBondContact N-OD2 2.79Å; V140-D148 PolarHBondContact O-N 3.07Å; V140-I149 PolarHBondContact O-N 3.16Å; V140-I149 VanDerWaalsContact O-N 3.13Å; V140-Y333 HydrophobicContact CG1-CD1 4.31Å; V140-Y333 HydrophobicContact CG1-CD2 4.19Å; V140-Y333 HydrophobicContact CG1-CE1 4.15Å; V140-Y333 HydrophobicContact CG1-CE2 4.02Å; V140-Y333 HydrophobicContact CG1-CG 4.33Å; V140-Y333 HydrophobicContact CG2-CE1 4.28Å; V140-Y333 HydrophobicContact CG2-CE2 4.37Å; V140-L336 HydrophobicContact CG1-CD1 3.38Å; V140-W339 HydrophobicContact CB-CH2 4.04Å; V140-W339 HydrophobicContact CB-CZ3 4.04Å; V140-W339 HydrophobicContact CG1-CE3 4.35Å; V140-W339 HydrophobicContact CG1-CZ3 4.17Å; V140-W339 HydrophobicContact CG2-CE3 4.34Å; V140-W339 HydrophobicContact CG2-CH2 3.39Å; V140-W339 HydrophobicContact CG2-CZ2 3.57Å; V140-W339 HydrophobicContact CG2-CZ3 3.81Å
141	M	98	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	105.4	179.5	178	178.9	179.7	0	0	109.9	L117 W118 V119 S120 I149 I151 R316 I320	L117-M141 HydrophobicContact CD1-CB 3.91Å; L117-M141 HydrophobicContact CD2-CB 4.15Å; L117-M141 HydrophobicContact CD2-SD 3.73Å; L117-M141 HydrophobicContact CG-CB 4.17Å; W118-M141 PolarHBondContact O-N 3.22Å; V119-M141 VanDerWaalsContact CA-O 3.31Å; V119-M141 WeakPolarHBondContact CA-O 3.05Å; V119-M141 HydrophobicContact CB-CB 4.07Å; V119-M141 HydrophobicContact CB-CG 4.37Å; V119-M141 HydrophobicContact CB-SD 4.34Å; V119-M141 HydrophobicContact CG2-CB 4.01Å; V119-M141 HydrophobicContact CG2-CG 3.81Å; V119-M141 WeakPolarHBondContact CG2-O 3.42Å; V119-M141 HydrophobicContact CG2-SD 3.91Å; S120-M141 PolarHBondContact N-O 3.02Å; S120-M141 VanDerWaalsContact N-O 3.16Å; M141-I149 VanDerWaalsContact CA-O 3.23Å; M141-I149 WeakPolarHBondContact CA-O 3.39Å; M141-I149 HydrophobicContact CB-CB 4.01Å; M141-I149 HydrophobicContact CE-CG2 4.27Å; M141-I149 HydrophobicContact CG-CB 3.88Å; M141-I149 HydrophobicContact CG-CG2 3.87Å; M141-I149 HydrophobicContact SD-CB 4.5Å; M141-I149 HydrophobicContact SD-CG2 4.2Å; M141-I151 HydrophobicContact CE-CD1 4.12Å; M141-I151 HydrophobicContact CE-CG2 3.41Å; M141-I151 VanDerWaalsContact CE-CG2 3.41Å; M141-I151 HydrophobicContact CG-CD1 3.74Å; M141-I151 HydrophobicContact CG-CG1 3.85Å; M141-I151 HydrophobicContact CG-CG2 3.91Å; M141-I151 HydrophobicContact SD-CG2 4.48Å; M141-R316 HydrophobicContact CE-CB 4.03Å; M141-R316 WeakPolarHBondContact CE-O 3.24Å; M141-I320 HydrophobicContact CE-CG1 4.36Å; M141-I320 HydrophobicContact SD-CD1 4.21Å; M141-I320 HydrophobicContact SD-CG1 4.02Å
142	T	97.9	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-179.8	-174.4	83.6	0	0	0	0	113.1	W118 S120 R144 S147 I149 I151 W339 F340	W118-T142 HydrophobicContact CE3-CG2 4.05Å; W118-T142 HydrophobicContact CH2-CG2 4.09Å; W118-T142 HydrophobicContact CZ3-CG2 3.37Å; S120-T142 VanDerWaalsContact O-CA 3.3Å; S120-T142 WeakPolarHBondContact O-CA 3.38Å; S120-T142 WeakPolarHBondContact O-CB 3.4Å; T142-R144 PolarHBondContact O-N 2.75Å; T142-R144 WeakPolarHBondContact OG1-CB 3.3Å; T142-R144 PolarHBondContact OG1-N 2.96Å; T142-S147 PolarHBondContact OG1-OG 3.1Å; T142-I149 PolarHBondContact N-O 2.88Å; T142-I151 VanDerWaalsContact C-CG1 3.49Å; T142-I151 VanDerWaalsContact O-CG1 3.31Å; T142-I151 WeakPolarHBondContact O-CG1 3.37Å; T142-I151 PolarHBondContact O-N 3.36Å; T142-W339 HydrophobicContact CG2-CH2 4.05Å; T142-W339 HydrophobicContact CG2-CZ3 4.24Å; T142-F340 HydrophobicContact CG2-CE2 4.24Å
143	Y	97.6	Very high	96	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.012	14%	0.137	C	C	.	.	S	Bend	trans	-70.9	-9.3	170.2	67.3	-96.2	0	0	0	113.6	L121 P124 F150 R234 D235 Y236 F340	L121-Y143 WeakPolarHBondContact O-CD1 3.44Å; P124-Y143 WeakPolarHBondContact CD-OH 3.22Å; Y143-F150 WeakPolarHBondContact O-CD2 3.26Å; Y143-F150 WeakPolarHBondContact O-CE2 3.36Å; Y143-R234 WeakPolarHBondContact CE2-O 3.33Å; Y143-D235 HydrophobicContact CD2-CB 4.42Å; Y143-D235 WeakPolarHBondContact CD2-O 3.39Å; Y143-Y236 AromaticContact CD1-CD2 3.78Å; Y143-Y236 HydrophobicContact CD1-CD2 3.78Å; Y143-Y236 HydrophobicContact CD1-CE2 4.21Å; Y143-Y236 AromaticContact CD2-CD2 3.96Å; Y143-Y236 HydrophobicContact CD2-CD2 3.96Å; Y143-Y236 AromaticContact CE1-CD2 3.45Å; Y143-Y236 HydrophobicContact CE1-CD2 3.45Å; Y143-Y236 VanDerWaalsContact CE1-CD2 3.45Å; Y143-Y236 AromaticContact CE1-CE2 3.96Å; Y143-Y236 HydrophobicContact CE1-CE2 3.96Å; Y143-Y236 HydrophobicContact CE1-CG 4.45Å; Y143-Y236 VanDerWaalsContact CE2-CA 3.42Å; Y143-Y236 VanDerWaalsContact CE2-CB 3.48Å; Y143-Y236 AromaticContact CE2-CD2 3.65Å; Y143-Y236 HydrophobicContact CE2-CD2 3.65Å; Y143-Y236 HydrophobicContact CE2-CG 4.03Å; Y143-Y236 HydrophobicContact CG-CD2 4.03Å; Y143-Y236 AromaticContact CZ-CD2 3.38Å; Y143-Y236 AromaticContact CZ-CG 3.96Å; Y143-F340 HydrophobicContact CE1-CE2 4.29Å; Y143-F340 HydrophobicContact CE1-CZ 4.11Å
144	R	97.6	Very high	96.4	Very high	8 Å²	8	28.5 Å²	28.5	3%	0.03	13%	0.134	C	C	.	.	S	Bend	trans	-77.1	138.2	175.9	-66.3	173.4	54.7	139.3	2.3	110.4	T142 D146 S147 F150 W339 F340 A342	T142-R144 PolarHBondContact O-N 2.75Å; T142-R144 WeakPolarHBondContact OG1-CB 3.3Å; T142-R144 PolarHBondContact OG1-N 2.96Å; R144-D146 VanDerWaalsContact C-N 3.26Å; R144-D146 VanDerWaalsContact CB-OD1 3.24Å; R144-D146 WeakPolarHBondContact CB-OD1 3.34Å; R144-D146 IonicContact CZ-OD1 3.3Å; R144-D146 IonicContact CZ-OD2 3.8Å; R144-D146 IonicContact NE-OD1 3.91Å; R144-D146 PolarHBondContact NE-OD1 2.94Å; R144-D146 IonicContact NE-OD2 2.66Å; R144-D146 IonicContact NH2-OD1 3.23Å; R144-D146 PolarHBondContact NH2-OD1 3Å; R144-D146 IonicContact NH2-OD2 3.45Å; R144-D146 PolarHBondContact NH2-OD2 2.97Å; R144-D146 PolarHBondContact O-N 2.8Å; R144-S147 VanDerWaalsContact O-CB 3.29Å; R144-S147 WeakPolarHBondContact O-CB 3.26Å; R144-S147 PolarHBondContact O-N 3.46Å; R144-S147 VanDerWaalsContact O-N 3.17Å; R144-S147 PolarHBondContact O-OG 3.2Å; R144-S147 VanDerWaalsContact O-OG 3.04Å; R144-F150 WeakPolarHBondContact O-CD2 3.1Å; R144-W339 PolarHBondContact NH1-O 2.87Å; R144-F340 PolarHBondContact NH1-O 3.02Å; R144-A342 PolarHBondContact NH1-O 2.9Å; R144-A342 PolarHBondContact NH2-O 2.97Å
145	R	97.1	Very high	96.8	Very high	61 Å²	61	27.1 Å²	27.1	23%	0.23	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.6	-179.1	-70.6	179	-66.8	-161.9	-20.4	114.8	S147 F150 D235 R264 F265	R145-S147 VanDerWaalsContact C-N 3.26Å; R145-F150 HydrophobicContact CG-CD1 4.36Å; R145-F150 HydrophobicContact CG-CD2 4.04Å; R145-F150 HydrophobicContact CG-CE1 4.13Å; R145-F150 HydrophobicContact CG-CE2 3.81Å; R145-F150 HydrophobicContact CG-CG 4.31Å; R145-F150 HydrophobicContact CG-CZ 3.84Å; R145-D235 WeakPolarHBondContact CB-OD2 3.39Å; R145-D235 IonicContact CZ-OD1 3.04Å; R145-D235 IonicContact CZ-OD2 3.24Å; R145-D235 PolarHBondContact N-OD2 3.31Å; R145-D235 IonicContact NE-OD1 3Å; R145-D235 PolarHBondContact NE-OD1 2.81Å; R145-D235 IonicContact NE-OD2 2.68Å; R145-D235 PolarHBondContact NE-OD2 3.09Å; R145-D235 VanDerWaalsContact NE-OD2 3.14Å; R145-D235 IonicContact NH2-OD1 3.84Å; R145-D235 PolarHBondContact NH2-OD1 2.68Å; R145-D235 IonicContact NH2-OD2 2.93Å; R145-R264 VanDerWaalsContact NH1-NE 3.11Å; R145-R264 PolarHBondContact NH1-O 2.94Å; R145-R264 VanDerWaalsContact NH2-NH1 3.11Å; R145-F265 HydrophobicContact CG-CE1 3.86Å; R145-F265 HydrophobicContact CG-CZ 3.82Å; R145-F265 VanDerWaalsContact CZ-CZ 3.45Å; R145-F265 VanDerWaalsContact NE-CZ 3.34Å; R145-F265 VanDerWaalsContact NH2-CE2 3.29Å
146	D	96.5	Very high	97.1	Very high	55 Å²	55	21.2 Å²	21.2	29%	0.294	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.8	174	61.1	-1.9	0	0	0	112.7	R144 R234	R144-D146 VanDerWaalsContact C-N 3.26Å; R144-D146 VanDerWaalsContact CB-OD1 3.24Å; R144-D146 WeakPolarHBondContact CB-OD1 3.34Å; R144-D146 IonicContact CZ-OD1 3.3Å; R144-D146 IonicContact CZ-OD2 3.8Å; R144-D146 IonicContact NE-OD1 3.91Å; R144-D146 PolarHBondContact NE-OD1 2.94Å; R144-D146 IonicContact NE-OD2 2.66Å; R144-D146 IonicContact NH2-OD1 3.23Å; R144-D146 PolarHBondContact NH2-OD1 3Å; R144-D146 IonicContact NH2-OD2 3.45Å; R144-D146 PolarHBondContact NH2-OD2 2.97Å; R144-D146 PolarHBondContact O-N 2.8Å; D146-R234 IonicContact OD2-CZ 2.74Å; D146-R234 IonicContact OD2-NH1 3.34Å; D146-R234 PolarHBondContact OD2-NH1 3.04Å; D146-R234 IonicContact OD2-NH2 2.83Å; D146-R234 PolarHBondContact OD2-NH2 3Å
147	S	97.6	Very high	97.4	Very high	11 Å²	11	21.7 Å²	21.7	8%	0.077	10%	0.104	C	C	.	.	S	Bend	trans	-71.4	150.5	165.9	-61.8	0	0	0	0	111	T142 R144 R145 I149 W339	T142-S147 PolarHBondContact OG1-OG 3.1Å; R144-S147 VanDerWaalsContact O-CB 3.29Å; R144-S147 WeakPolarHBondContact O-CB 3.26Å; R144-S147 PolarHBondContact O-N 3.46Å; R144-S147 VanDerWaalsContact O-N 3.17Å; R144-S147 PolarHBondContact O-OG 3.2Å; R144-S147 VanDerWaalsContact O-OG 3.04Å; R145-S147 VanDerWaalsContact C-N 3.26Å; S147-I149 PolarHBondContact O-N 3.34Å; S147-W339 WeakPolarHBondContact OG-CH2 3.32Å
148	D	97.9	Very high	97.4	Very high	31 Å²	31	26.1 Å²	26.1	17%	0.166	13%	0.133	C	C	.	.	S	Bend	trans	-58.6	-34.9	173.7	-54.3	-73.3	0	0	0	110.9	W139 V140 L327 R331 Y333	W139-D148 VanDerWaalsContact CA-OD2 3.3Å; W139-D148 WeakPolarHBondContact CA-OD2 3.19Å; W139-D148 HydrophobicContact CB-CB 4.09Å; W139-D148 HydrophobicContact CG-CB 4.46Å; V140-D148 PolarHBondContact N-OD2 2.79Å; V140-D148 PolarHBondContact O-N 3.07Å; D148-L327 HydrophobicContact CB-CD2 3.86Å; D148-R331 IonicContact OD1-NH1 3.09Å; D148-R331 PolarHBondContact OD1-NH1 2.87Å; D148-R331 VanDerWaalsContact OD1-NH1 3.09Å; D148-Y333 VanDerWaalsContact CG-OH 3.3Å; D148-Y333 PolarHBondContact OD1-OH 3.11Å; D148-Y333 WeakPolarHBondContact OD2-CE2 3.29Å; D148-Y333 VanDerWaalsContact OD2-CZ 3.3Å; D148-Y333 PolarHBondContact OD2-OH 2.82Å
149	I	98.1	Very high	97.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	103.6	171.8	-54.1	173.4	0	0	0	110	L117 V140 M141 T142 S147 I151 T319 I320 K323 L327	L117-I149 HydrophobicContact CD1-CD1 4.21Å; L117-I149 HydrophobicContact CD2-CD1 4.04Å; V140-I149 PolarHBondContact O-N 3.16Å; V140-I149 VanDerWaalsContact O-N 3.13Å; M141-I149 VanDerWaalsContact CA-O 3.23Å; M141-I149 WeakPolarHBondContact CA-O 3.39Å; M141-I149 HydrophobicContact CB-CB 4.01Å; M141-I149 HydrophobicContact CE-CG2 4.27Å; M141-I149 HydrophobicContact CG-CB 3.88Å; M141-I149 HydrophobicContact CG-CG2 3.87Å; M141-I149 HydrophobicContact SD-CB 4.5Å; M141-I149 HydrophobicContact SD-CG2 4.2Å; T142-I149 PolarHBondContact N-O 2.88Å; S147-I149 PolarHBondContact O-N 3.34Å; I149-I151 HydrophobicContact CG2-CG2 4.2Å; I149-T319 HydrophobicContact CG2-CG2 3.87Å; I149-I320 HydrophobicContact CD1-CB 4.2Å; I149-I320 HydrophobicContact CD1-CG1 3.75Å; I149-I320 HydrophobicContact CD1-CG2 4.33Å; I149-K323 HydrophobicContact CD1-CB 4.39Å; I149-K323 HydrophobicContact CG1-CB 4.01Å; I149-K323 HydrophobicContact CG1-CG 4.32Å; I149-K323 HydrophobicContact CG2-CG 4.32Å; I149-L327 HydrophobicContact CD1-CD1 4.07Å; I149-L327 HydrophobicContact CG1-CD1 4.35Å; I149-L327 HydrophobicContact CG1-CD2 4.23Å
150	F	97.6	Very high	96.8	Very high	69 Å²	69	37.4 Å²	37.4	30%	0.303	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.8	176.9	169.7	-124.6	0	0	0	112.3	Y143 R144 R145 P152 F265	Y143-F150 WeakPolarHBondContact O-CD2 3.26Å; Y143-F150 WeakPolarHBondContact O-CE2 3.36Å; R144-F150 WeakPolarHBondContact O-CD2 3.1Å; R145-F150 HydrophobicContact CG-CD1 4.36Å; R145-F150 HydrophobicContact CG-CD2 4.04Å; R145-F150 HydrophobicContact CG-CE1 4.13Å; R145-F150 HydrophobicContact CG-CE2 3.81Å; R145-F150 HydrophobicContact CG-CG 4.31Å; R145-F150 HydrophobicContact CG-CZ 3.84Å; F150-P152 HydrophobicContact CD1-CG 4.42Å; F150-P152 HydrophobicContact CE1-CB 4.15Å; F150-P152 HydrophobicContact CE1-CG 3.71Å; F150-P152 HydrophobicContact CE2-CB 3.73Å; F150-P152 HydrophobicContact CE2-CG 4.08Å; F150-P152 HydrophobicContact CZ-CB 3.42Å; F150-P152 VanDerWaalsContact CZ-CB 3.42Å; F150-P152 HydrophobicContact CZ-CG 3.52Å; F150-F265 HydrophobicContact CE2-CE1 4.35Å; F150-F265 AromaticContact CZ-CE1 3.81Å; F150-F265 HydrophobicContact CZ-CE1 3.81Å
151	I	97	Very high	96.2	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	21%	0.214	C	C	.	.			trans	-128.9	80.5	-178.9	54.4	157	0	0	0	112.2	V119 L121 M141 T142 I149 W313 R316	V119-I151 HydrophobicContact CG2-CD1 3.85Å; L121-I151 HydrophobicContact CD2-CD1 3.71Å; L121-I151 HydrophobicContact CD2-CG1 4Å; L121-I151 VanDerWaalsContact CD2-O 3.26Å; L121-I151 WeakPolarHBondContact CD2-O 3.21Å; L121-I151 HydrophobicContact CG-CD1 4.12Å; M141-I151 HydrophobicContact CE-CD1 4.12Å; M141-I151 HydrophobicContact CE-CG2 3.41Å; M141-I151 VanDerWaalsContact CE-CG2 3.41Å; M141-I151 HydrophobicContact CG-CD1 3.74Å; M141-I151 HydrophobicContact CG-CG1 3.85Å; M141-I151 HydrophobicContact CG-CG2 3.91Å; M141-I151 HydrophobicContact SD-CG2 4.48Å; T142-I151 VanDerWaalsContact C-CG1 3.49Å; T142-I151 VanDerWaalsContact O-CG1 3.31Å; T142-I151 WeakPolarHBondContact O-CG1 3.37Å; T142-I151 PolarHBondContact O-N 3.36Å; I149-I151 HydrophobicContact CG2-CG2 4.2Å; I151-W313 HydrophobicContact CD1-CZ3 4.21Å; I151-R316 VanDerWaalsContact C-NH1 3.33Å; I151-R316 HydrophobicContact CG2-CB 4.38Å; I151-R316 PolarHBondContact O-NH1 2.74Å
152	P	96.5	Very high	95.5	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.091	22%	0.223	C	C	.	.			trans	-68.6	165.2	-176.8	26.7	-32.2	0	0	0	113.4	F150 G154 Y310 R316	F150-P152 HydrophobicContact CD1-CG 4.42Å; F150-P152 HydrophobicContact CE1-CB 4.15Å; F150-P152 HydrophobicContact CE1-CG 3.71Å; F150-P152 HydrophobicContact CE2-CB 3.73Å; F150-P152 HydrophobicContact CE2-CG 4.08Å; F150-P152 HydrophobicContact CZ-CB 3.42Å; F150-P152 VanDerWaalsContact CZ-CB 3.42Å; F150-P152 HydrophobicContact CZ-CG 3.52Å; P152-G154 WeakPolarHBondContact CB-O 3.12Å; P152-Y310 HydrophobicContact CG-CD2 4.05Å; P152-Y310 HydrophobicContact CG-CE2 3.94Å; P152-Y310 WeakPolarHBondContact O-CB 3.47Å; P152-R316 VanDerWaalsContact O-CZ 3.32Å; P152-R316 PolarHBondContact O-NH1 2.77Å; P152-R316 PolarHBondContact O-NH2 3.43Å
153	Y	98.1	Very high	94.9	Very high	40 Å²	40	49.1 Å²	49.1	16%	0.157	26%	0.258	C	S	.	.	S	Bend	trans	-70.1	-33.6	169.1	-79.6	-101.3	0	0	0	112.7	L121 Y236 T238 Y310	L121-Y153 HydrophobicContact CB-CE2 4.14Å; L121-Y153 HydrophobicContact CD2-CE2 4.16Å; L121-Y153 PolarHBondContact O-OH 2.98Å; Y153-Y236 HydrophobicContact CE2-CE2 4.39Å; Y153-T238 HydrophobicContact CD2-CG2 4.14Å; Y153-T238 HydrophobicContact CE1-CG2 4.35Å; Y153-T238 HydrophobicContact CE2-CG2 3.8Å; Y153-Y310 PolarHBondContact O-N 3.09Å
154	G	98	Very high	94.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	171.8	175.3	0	0	0	0	0	111.4	P152 W242 K308	P152-G154 WeakPolarHBondContact CB-O 3.12Å; G154-W242 VanDerWaalsContact O-CZ2 3.25Å; G154-W242 WeakPolarHBondContact O-CZ2 3.29Å; G154-K308 CarbonylContact C-O 3.57Å; G154-K308 WeakPolarHBondContact CA-O 3.41Å
155	K	97.8	Very high	94.3	Very high	80 Å²	80	56.7 Å²	56.7	35%	0.348	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159	173.2	67.6	179.7	-178.3	179.9	0	110.8	V157 K308 Y310	K155-V157 HydrophobicContact CD-CG1 4.23Å; K155-V157 HydrophobicContact CG-CG1 4.02Å; K155-K308 HydrophobicContact CG-CB 4.21Å; K155-K308 PolarHBondContact N-O 3.13Å; K155-K308 PolarHBondContact O-N 2.93Å; K155-Y310 HydrophobicContact CD-CE2 3.94Å; K155-Y310 WeakPolarHBondContact CE-OH 3.42Å; K155-Y310 HydrophobicContact CG-CE2 3.97Å; K155-Y310 PolarHBondContact NZ-OH 2.98Å
156	L	97.8	Very high	94.2	Very high	29 Å²	29	56.1 Å²	56.1	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.8	163.2	-64.4	-175.4	0	0	0	109.5	W242 V266 P267 W301 Y305 S306 V307	L156-W242 HydrophobicContact CD2-CZ3 4.16Å; L156-W242 HydrophobicContact CG-CZ3 4.05Å; L156-V266 HydrophobicContact CD1-CB 4.41Å; L156-V266 HydrophobicContact CD1-CG1 4.19Å; L156-V266 HydrophobicContact CG-CG1 4.35Å; L156-P267 HydrophobicContact CD1-CG 4.39Å; L156-W301 HydrophobicContact CD1-CE3 4.48Å; L156-W301 HydrophobicContact CD2-CE3 3.83Å; L156-W301 HydrophobicContact CD2-CH2 4.49Å; L156-W301 HydrophobicContact CD2-CZ3 3.71Å; L156-Y305 HydrophobicContact CB-CD1 4.12Å; L156-Y305 HydrophobicContact CB-CG 4.07Å; L156-Y305 HydrophobicContact CD1-CD2 4.25Å; L156-Y305 HydrophobicContact CD1-CG 4.25Å; L156-S306 WeakPolarHBondContact CA-O 3.42Å; L156-V307 HydrophobicContact CD2-CG2 4.05Å
157	V	97.1	Very high	94.1	Very high	43 Å²	43	55.1 Å²	55.1	26%	0.261	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142	171.5	-67	0	0	0	0	109.5	K155 N159 Y305 S306 K308	K155-V157 HydrophobicContact CD-CG1 4.23Å; K155-V157 HydrophobicContact CG-CG1 4.02Å; V157-N159 PolarHBondContact O-N 3.03Å; V157-Y305 CarbonylContact O-C 3.42Å; V157-Y305 WeakPolarHBondContact O-CA 3.32Å; V157-S306 WeakPolarHBondContact CG2-O 3.47Å; V157-S306 PolarHBondContact N-O 3.14Å; V157-S306 PolarHBondContact O-N 3.38Å; V157-K308 HydrophobicContact CG1-CB 3.78Å; V157-K308 HydrophobicContact CG1-CD 4.27Å; V157-K308 HydrophobicContact CG2-CB 4.17Å
158	P	96.9	Very high	94.1	Very high	95 Å²	95	65.2 Å²	65.2	62%	0.617	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	131.6	177.1	-26.2	34.9	0	0	0	111.9	R304	P158-R304 CarbonylContact C-O 3.55Å; P158-R304 WeakPolarHBondContact CA-O 3.18Å
159	N	94.3	Very high	94.1	Very high	48 Å²	48	66 Å²	66	26%	0.257	34%	0.337	S	S	.	.			trans	-149.9	97.7	172.5	-174.3	-3.6	0	0	0	108.9	V157 S161 A162 R304 S306	V157-N159 PolarHBondContact O-N 3.03Å; N159-S161 PolarHBondContact OD1-N 3.01Å; N159-S161 PolarHBondContact OD1-OG 3.45Å; N159-A162 HydrophobicContact CB-CB 4.17Å; N159-A162 PolarHBondContact OD1-N 3.39Å; N159-R304 PolarHBondContact N-O 2.93Å; N159-R304 CarbonylContact O-C 3.59Å; N159-R304 VanDerWaalsContact O-C 3.3Å; N159-S306 WeakPolarHBondContact CB-OG 3.48Å; N159-S306 PolarHBondContact ND2-OG 2.97Å
160	W	86.3	Confident	94.1	Very high	192 Å²	192	70.3 Å²	70.3	73%	0.727	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.2	-176.8	-57.7	104	0	0	0	113.5	R304	W160-R304 HydrophobicContact CE3-CB 4.43Å; W160-R304 HydrophobicContact CE3-CG 4.19Å; W160-R304 HydrophobicContact CH2-CB 4.48Å; W160-R304 HydrophobicContact CH2-CG 4.27Å; W160-R304 HydrophobicContact CZ3-CB 4.1Å; W160-R304 HydrophobicContact CZ3-CG 3.64Å
161	S	84.9	Confident	94.1	Very high	106 Å²	106	70.4 Å²	70.4	74%	0.741	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.5	174.6	60.8	0	0	0	0	112.7	N159	N159-S161 PolarHBondContact OD1-N 3.01Å; N159-S161 PolarHBondContact OD1-OG 3.45Å
162	A	82.3	Confident	94.1	Very high	23 Å²	23	72.8 Å²	72.8	19%	0.19	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-71.7	131.1	179.2	0	0	0	0	0	111.2	N159 Q302	N159-A162 HydrophobicContact CB-CB 4.17Å; N159-A162 PolarHBondContact OD1-N 3.39Å; A162-Q302 WeakPolarHBondContact CB-O 3.29Å
163	T	85.3	Confident	94.3	Very high	118 Å²	118	72.1 Å²	72.1	72%	0.724	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-95.4	148.1	169.2	54.2	0	0	0	0	109.9	N165	T163-N165 PolarHBondContact O-N 2.85Å
164	V	92	Very high	94.3	Very high	58 Å²	58	70.2 Å²	70.2	35%	0.352	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-67.4	118.4	174.3	178.1	0	0	0	0	108.4	I166 F299 Q302 K303	V164-I166 HydrophobicContact CG1-CD1 4.2Å; V164-I166 HydrophobicContact CG1-CG1 4.02Å; V164-F299 HydrophobicContact CG1-CB 3.73Å; V164-Q302 HydrophobicContact CG2-CB 4.27Å; V164-K303 HydrophobicContact CG2-CD 4.44Å; V164-K303 HydrophobicContact CG2-CG 3.58Å
165	N	90.4	Very high	94.3	Very high	112 Å²	112	70.3 Å²	70.3	60%	0.599	36%	0.362	S	S	*	.			trans	-120.4	112.7	177.5	-176.7	13.3	0	0	0	109.8	T163 Q302	T163-N165 PolarHBondContact O-N 2.85Å; N165-Q302 PolarHBondContact O-OE1 3.27Å
166	I	95.6	Very high	94.3	Very high	49 Å²	49	67.7 Å²	67.7	25%	0.251	35%	0.353	S	S	.	.			trans	-111.3	107.6	177.6	-56.8	174.4	0	0	0	107.7	V164 Y295 R296 F299	V164-I166 HydrophobicContact CG1-CD1 4.2Å; V164-I166 HydrophobicContact CG1-CG1 4.02Å; I166-Y295 HydrophobicContact CG2-CE1 4.02Å; I166-R296 HydrophobicContact CD1-CB 4.19Å; I166-R296 HydrophobicContact CD1-CG 3.77Å; I166-F299 HydrophobicContact CD1-CB 4.1Å; I166-F299 HydrophobicContact CD1-CD2 3.51Å; I166-F299 HydrophobicContact CD1-CE2 4.06Å; I166-F299 HydrophobicContact CD1-CG 3.82Å; I166-F299 HydrophobicContact CG1-CB 4.13Å; I166-F299 HydrophobicContact CG1-CD1 4Å; I166-F299 HydrophobicContact CG1-CD2 3.78Å; I166-F299 HydrophobicContact CG1-CE1 4.36Å; I166-F299 HydrophobicContact CG1-CE2 4.16Å; I166-F299 HydrophobicContact CG1-CG 3.69Å; I166-F299 HydrophobicContact CG1-CZ 4.43Å; I166-F299 HydrophobicContact CG2-CE2 4.27Å; I166-F299 HydrophobicContact CG2-CZ 4.28Å
167	P	95.3	Very high	94.2	Very high	34 Å²	34	66.6 Å²	66.6	22%	0.221	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.4	154.9	178.4	-24.3	33.6	0	0	0	112.5	K169	P167-K169 WeakPolarHBondContact O-CD 3.08Å; P167-K169 WeakPolarHBondContact O-CE 3.45Å; P167-K169 WeakPolarHBondContact O-CG 3.36Å; P167-K169 PolarHBondContact O-N 3.09Å
168	R	96.7	Very high	93.9	Very high	222 Å²	222	68.1 Å²	68.1	84%	0.838	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-59.4	129.7	173.1	-178.6	177.9	174.7	177.5	-0.6	110.4
169	K	97.8	Very high	93.6	Very high	47 Å²	47	67 Å²	67	20%	0.204	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-100.8	129.7	-177.9	-50	-54	-174.2	168.3	0	110.6	P167 S220 K221 S222 K223 G249 Y295	P167-K169 WeakPolarHBondContact O-CD 3.08Å; P167-K169 WeakPolarHBondContact O-CE 3.45Å; P167-K169 WeakPolarHBondContact O-CG 3.36Å; P167-K169 PolarHBondContact O-N 3.09Å; K169-S220 WeakPolarHBondContact CD-O 3.4Å; K169-S220 PolarHBondContact NZ-O 3.29Å; K169-K221 CarbonylContact C-O 3.55Å; K169-K221 WeakPolarHBondContact CA-O 3.26Å; K169-S222 WeakPolarHBondContact CD-O 3.37Å; K169-S222 WeakPolarHBondContact CE-O 3.19Å; K169-S222 PolarHBondContact NZ-O 3.46Å; K169-K223 HydrophobicContact CB-CG 3.85Å; K169-K223 HydrophobicContact CG-CG 3.93Å; K169-G249 PolarHBondContact NZ-O 2.91Å; K169-Y295 VanDerWaalsContact CE-OH 3.28Å; K169-Y295 WeakPolarHBondContact CE-OH 3.48Å
170	T	97.7	Very high	93.4	Very high	92 Å²	92	69 Å²	69	56%	0.564	35%	0.353	S	S	*	.			trans	-124.3	-5.1	176.1	66.4	0	0	0	0	112.4	K221	T170-K221 PolarHBondContact N-O 3.01Å
171	R	97.9	Very high	93.7	Very high	71 Å²	71	64.6 Å²	64.6	27%	0.268	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.1	179	-66.7	172.9	-176.5	144	-0.1	109.6	D200 Y202 K221 S222 K223	R171-D200 WeakPolarHBondContact CD-OD2 3.42Å; R171-D200 WeakPolarHBondContact CG-OD2 3.31Å; R171-D200 IonicContact NE-OD1 3.9Å; R171-Y202 PolarHBondContact NH1-OH 3.44Å; R171-Y202 PolarHBondContact NH2-OH 3.01Å; R171-K221 PolarHBondContact N-O 2.93Å; R171-S222 CarbonylContact O-C 3.51Å; R171-S222 WeakPolarHBondContact O-CA 3.32Å; R171-K223 PolarHBondContact O-N 2.8Å
172	L	98.4	Very high	94.1	Very high	54 Å²	54	70.1 Å²	70.1	28%	0.283	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-62.4	177.9	-172.1	58.5	0	0	0	110.6	L197 K223 F224 K288	L172-L197 HydrophobicContact CD2-CD1 3.54Å; L172-L197 HydrophobicContact CG-CD1 4.42Å; L172-K223 HydrophobicContact CD1-CB 4.48Å; L172-K223 HydrophobicContact CD1-CD 4.07Å; L172-K223 PolarHBondContact O-N 3.04Å; L172-F224 HydrophobicContact CD1-CD2 4.01Å; L172-F224 HydrophobicContact CD1-CE2 3.85Å; L172-F224 HydrophobicContact CG-CD2 4.49Å; L172-F224 PolarHBondContact O-N 2.66Å; L172-K288 HydrophobicContact CD2-CG 3.86Å
173	V	98.8	Very high	94.6	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.9	-175.5	-172.5	0	0	0	0	110.7	L197 V199 D200 F224 L226 L287	V173-L197 HydrophobicContact CG2-CD1 4.32Å; V173-L197 HydrophobicContact CG2-CD2 3.74Å; V173-L197 HydrophobicContact CG2-CG 4.22Å; V173-V199 HydrophobicContact CB-CG2 4.43Å; V173-V199 HydrophobicContact CG1-CG1 4.16Å; V173-V199 HydrophobicContact CG1-CG2 4.25Å; V173-D200 PolarHBondContact O-N 3.48Å; V173-F224 WeakPolarHBondContact CA-O 3.3Å; V173-F224 HydrophobicContact CG2-CB 4.13Å; V173-F224 HydrophobicContact CG2-CD2 4.22Å; V173-L226 HydrophobicContact CG1-CD1 4.34Å; V173-L226 HydrophobicContact CG1-CD2 3.66Å; V173-L226 HydrophobicContact CG1-CG 3.66Å; V173-L287 HydrophobicContact CG2-CD1 4.29Å
174	S	98.7	Very high	95.1	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	155.1	168	-76.4	0	0	0	0	112.3	D200 S222 F224 Y225 L226	S174-D200 CarbonylContact C-O 3.57Å; S174-D200 VanDerWaalsContact CA-O 3.29Å; S174-D200 WeakPolarHBondContact CA-O 3.23Å; S174-S222 VanDerWaalsContact CB-OG 3.32Å; S174-S222 WeakPolarHBondContact CB-OG 3.2Å; S174-S222 PolarHBondContact OG-OG 3.13Å; S174-F224 PolarHBondContact N-O 3.41Å; S174-F224 VanDerWaalsContact N-O 3.11Å; S174-Y225 WeakPolarHBondContact O-CA 3.47Å; S174-Y225 WeakPolarHBondContact O-CD2 3.38Å; S174-L226 PolarHBondContact O-N 3.33Å
175	W	98.6	Very high	95.3	Very high	3 Å²	3	72.8 Å²	72.8	1%	0.011	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.2	170.6	-171	31.4	0	0	0	111	I177 Y180 R186 Y190 V199 D200 I201 Y202 L226 F228	W175-I177 HydrophobicContact CD2-CB 4.31Å; W175-I177 HydrophobicContact CD2-CG2 4.22Å; W175-I177 HydrophobicContact CE3-CG2 4.14Å; W175-I177 HydrophobicContact CH2-CD1 3.45Å; W175-I177 VanDerWaalsContact CH2-CD1 3.45Å; W175-I177 HydrophobicContact CZ2-CB 4.36Å; W175-I177 HydrophobicContact CZ2-CD1 3.3Å; W175-I177 HydrophobicContact CZ2-CG1 4.42Å; W175-I177 HydrophobicContact CZ3-CD1 4.17Å; W175-I177 HydrophobicContact CZ3-CG2 4.33Å; W175-Y180 HydrophobicContact CH2-CD2 4.48Å; W175-Y180 HydrophobicContact CH2-CE2 4.41Å; W175-R186 HydrophobicContact CZ2-CB 4.34Å; W175-R186 HydrophobicContact CZ2-CG 4.4Å; W175-Y190 HydrophobicContact CE3-CD1 4.38Å; W175-Y190 AromaticContact CE3-CD2 3.66Å; W175-Y190 HydrophobicContact CE3-CD2 3.66Å; W175-Y190 HydrophobicContact CE3-CE2 4.07Å; W175-Y190 AromaticContact CE3-CG 3.86Å; W175-Y190 HydrophobicContact CE3-CG 3.86Å; W175-Y190 HydrophobicContact CH2-CD1 4.41Å; W175-Y190 AromaticContact CH2-CG 3.96Å; W175-Y190 HydrophobicContact CH2-CG 3.96Å; W175-Y190 AromaticContact CZ3-CD1 3.6Å; W175-Y190 HydrophobicContact CZ3-CD1 3.6Å; W175-Y190 AromaticContact CZ3-CD2 3.58Å; W175-Y190 HydrophobicContact CZ3-CD2 3.58Å; W175-Y190 HydrophobicContact CZ3-CE1 4.23Å; W175-Y190 HydrophobicContact CZ3-CE2 4.23Å; W175-Y190 AromaticContact CZ3-CG 3.25Å; W175-Y190 HydrophobicContact CZ3-CG 3.25Å; W175-V199 HydrophobicContact CB-CG1 3.8Å; W175-D200 PolarHBondContact N-O 3.06Å; W175-I201 CarbonylContact O-C 3.32Å; W175-I201 WeakPolarHBondContact O-CA 3.25Å; W175-Y202 PolarHBondContact O-N 3.41Å; W175-L226 HydrophobicContact CB-CB 4.04Å; W175-L226 HydrophobicContact CB-CD1 4.13Å; W175-L226 HydrophobicContact CB-CG 4.28Å; W175-L226 HydrophobicContact CD2-CD1 4.4Å; W175-L226 HydrophobicContact CG-CB 3.86Å; W175-L226 HydrophobicContact CG-CD1 4.22Å; W175-L226 HydrophobicContact CG-CG 4.48Å; W175-L226 PolarHBondContact NE1-O 2.85Å; W175-F228 HydrophobicContact CZ2-CB 4.39Å; W175-F228 HydrophobicContact CZ2-CD2 4.21Å
176	V	98.1	Very high	95.7	Very high	26 Å²	26	68 Å²	68	16%	0.158	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.8	175.1	178.6	0	0	0	0	108.3	Y202 L210 L215 L219 Y225	V176-Y202 WeakPolarHBondContact CA-O 3.31Å; V176-Y202 HydrophobicContact CG2-CD2 4.47Å; V176-L210 HydrophobicContact CG2-CD1 4.01Å; V176-L215 HydrophobicContact CG1-CD1 4.2Å; V176-L215 HydrophobicContact CG2-CD1 3.84Å; V176-L219 HydrophobicContact CG2-CD1 4.15Å; V176-L219 HydrophobicContact CG2-CD2 3.73Å; V176-L219 HydrophobicContact CG2-CG 4.36Å; V176-Y225 HydrophobicContact CB-CE2 4.19Å; V176-Y225 HydrophobicContact CG2-CE2 3.95Å
177	I	95.5	Very high	95.7	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.031	31%	0.312	C	S	.	.			trans	-138	126.5	-176.9	-174.8	152.9	0	0	0	112.1	W175 N179 Y180 I201 Y202 G203 K204 A205	W175-I177 HydrophobicContact CD2-CB 4.31Å; W175-I177 HydrophobicContact CD2-CG2 4.22Å; W175-I177 HydrophobicContact CE3-CG2 4.14Å; W175-I177 HydrophobicContact CH2-CD1 3.45Å; W175-I177 VanDerWaalsContact CH2-CD1 3.45Å; W175-I177 HydrophobicContact CZ2-CB 4.36Å; W175-I177 HydrophobicContact CZ2-CD1 3.3Å; W175-I177 HydrophobicContact CZ2-CG1 4.42Å; W175-I177 HydrophobicContact CZ3-CD1 4.17Å; W175-I177 HydrophobicContact CZ3-CG2 4.33Å; I177-N179 WeakPolarHBondContact CD1-O 3.26Å; I177-N179 WeakPolarHBondContact CG1-O 3.41Å; I177-Y180 HydrophobicContact CD1-CD2 3.61Å; I177-Y180 HydrophobicContact CD1-CG 4.33Å; I177-Y180 HydrophobicContact CG1-CD2 4.47Å; I177-I201 HydrophobicContact CG2-CG2 3.77Å; I177-Y202 PolarHBondContact N-O 2.81Å; I177-G203 CarbonylContact O-C 3.45Å; I177-G203 WeakPolarHBondContact O-CA 3.12Å; I177-K204 PolarHBondContact O-N 3.16Å; I177-A205 HydrophobicContact CG1-CB 4.46Å; I177-A205 HydrophobicContact CG2-CB 4.27Å; I177-A205 WeakPolarHBondContact O-CB 3.32Å; I177-A205 PolarHBondContact O-N 2.99Å; I177-A205 VanDerWaalsContact O-N 3.13Å
178	S	90.3	Very high	95.8	Very high	74 Å²	74	68.5 Å²	68.5	52%	0.517	32%	0.322	S	S	.	.	S	Bend	trans	-115.5	-42.1	-178.8	-68.2	0	0	0	0	112.9	K204	S178-K204 PolarHBondContact OG-N 2.86Å
179	N	89.7	Confident	95.9	Very high	72 Å²	72	58.4 Å²	58.4	39%	0.385	29%	0.285	S	S	.	.	S	Bend	trans	-94.5	120.9	167.9	179.3	-16.3	0	0	0	106.5	I177 H181 R186	I177-N179 WeakPolarHBondContact CD1-O 3.26Å; I177-N179 WeakPolarHBondContact CG1-O 3.41Å; N179-H181 PolarHBondContact OD1-CD2 2.82Å; N179-H181 PolarHBondContact OD1-NE2 2.95Å; N179-R186 VanDerWaalsContact O-CZ 3.27Å; N179-R186 PolarHBondContact O-NH2 3.28Å
180	Y	91.1	Very high	95.9	Very high	89 Å²	89	58.1 Å²	58.1	35%	0.349	28%	0.283	S	S	.	.			trans	-135.6	120.9	177	177.9	-96.4	0	0	0	109.5	W175 I177 R182 A187	W175-Y180 HydrophobicContact CH2-CD2 4.48Å; W175-Y180 HydrophobicContact CH2-CE2 4.41Å; I177-Y180 HydrophobicContact CD1-CD2 3.61Å; I177-Y180 HydrophobicContact CD1-CG 4.33Å; I177-Y180 HydrophobicContact CG1-CD2 4.47Å; Y180-R182 HydrophobicContact CE1-CG 3.94Å; Y180-A187 HydrophobicContact CD2-CB 4.25Å; Y180-A187 HydrophobicContact CE2-CB 3.45Å; Y180-A187 VanDerWaalsContact CE2-CB 3.45Å
181	H	93.3	Very high	95.8	Very high	100 Å²	100	60.2 Å²	60.2	46%	0.463	28%	0.284	S	S	.	.			trans	-124.9	130.1	171.8	-62.7	-74	0	0	0	109.2	N179 T183 Q184 A187	N179-H181 PolarHBondContact OD1-CD2 2.82Å; N179-H181 PolarHBondContact OD1-NE2 2.95Å; H181-T183 PolarHBondContact O-N 2.87Å; H181-T183 VanDerWaalsContact O-N 3.09Å; H181-Q184 HydrophobicContact CB-CG 3.99Å; H181-Q184 WeakPolarHBondContact O-CB 2.94Å; H181-Q184 PolarHBondContact O-N 3.38Å; H181-A187 WeakPolarHBondContact O-CB 3.44Å
182	R	92.4	Very high	95.8	Very high	222 Å²	222	59.4 Å²	59.4	84%	0.838	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.6	-176.8	-67.2	-178.1	179.8	-177.7	-0.1	113.4	Y180 Q184	Y180-R182 HydrophobicContact CE1-CG 3.94Å; R182-Q184 VanDerWaalsContact C-N 3.35Å
183	T	93.6	Very high	95.8	Very high	138 Å²	138	56.9 Å²	56.9	85%	0.847	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.7	178.8	53.3	0	0	0	0	113.5	H181	H181-T183 PolarHBondContact O-N 2.87Å; H181-T183 VanDerWaalsContact O-N 3.09Å
184	Q	95.3	Very high	95.7	Very high	21 Å²	21	59.1 Å²	59.1	10%	0.098	29%	0.288	C	S	.	.	S	Bend	trans	-77.4	143.3	179	-70.9	170	-28.7	0	0	111.2	H181 R182 R186 A187 E188 N230	H181-Q184 HydrophobicContact CB-CG 3.99Å; H181-Q184 WeakPolarHBondContact O-CB 2.94Å; H181-Q184 PolarHBondContact O-N 3.38Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-R186 HydrophobicContact CB-CG 3.98Å; Q184-R186 PolarHBondContact O-N 2.9Å; Q184-R186 VanDerWaalsContact OE1-CZ 3.26Å; Q184-A187 WeakPolarHBondContact O-CB 3.09Å; Q184-A187 PolarHBondContact O-N 3.29Å; Q184-E188 PolarHBondContact O-N 3.32Å; Q184-N230 PolarHBondContact NE2-O 3.07Å
185	K	96.9	Very high	95.7	Very high	97 Å²	97	67.6 Å²	67.6	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-53.6	-40.2	177.8	-172.5	59.4	175.5	-179.8	0	113	A187 E188 V189 I232 L255	K185-A187 VanDerWaalsContact C-N 3.26Å; K185-A187 PolarHBondContact O-N 3.37Å; K185-E188 WeakPolarHBondContact CD-OE2 3.42Å; K185-E188 IonicContact NZ-OE1 3.96Å; K185-E188 PolarHBondContact NZ-OE1 3.46Å; K185-E188 IonicContact NZ-OE2 3.85Å; K185-E188 PolarHBondContact NZ-OE2 2.88Å; K185-E188 WeakPolarHBondContact O-CB 3.36Å; K185-E188 PolarHBondContact O-N 2.91Å; K185-V189 HydrophobicContact CD-CG2 4.25Å; K185-V189 HydrophobicContact CG-CG2 4.22Å; K185-V189 WeakPolarHBondContact O-CG2 3.32Å; K185-V189 PolarHBondContact O-N 2.86Å; K185-I232 HydrophobicContact CB-CD1 4.26Å; K185-I232 HydrophobicContact CG-CD1 4.02Å; K185-L255 HydrophobicContact CG-CD1 4.3Å; K185-L255 HydrophobicContact CG-CD2 4.3Å
186	R	96.9	Very high	95.7	Very high	12 Å²	12	73 Å²	73	5%	0.045	34%	0.341	C	S	.	.	H	α-helix	trans	-60.3	-30.9	175.6	65.7	175.6	175.9	177.6	-3.8	114.5	W175 N179 Q184 Y190 F228 E229 N230 L255	W175-R186 HydrophobicContact CZ2-CB 4.34Å; W175-R186 HydrophobicContact CZ2-CG 4.4Å; N179-R186 VanDerWaalsContact O-CZ 3.27Å; N179-R186 PolarHBondContact O-NH2 3.28Å; Q184-R186 HydrophobicContact CB-CG 3.98Å; Q184-R186 PolarHBondContact O-N 2.9Å; Q184-R186 VanDerWaalsContact OE1-CZ 3.26Å; R186-Y190 WeakPolarHBondContact O-CB 3.44Å; R186-Y190 PolarHBondContact O-N 2.9Å; R186-F228 HydrophobicContact CB-CB 3.76Å; R186-F228 HydrophobicContact CB-CD2 4.09Å; R186-F228 HydrophobicContact CB-CG 4.36Å; R186-E229 WeakPolarHBondContact CD-O 3.46Å; R186-N230 VanDerWaalsContact CZ-CB 3.48Å; R186-L255 HydrophobicContact CB-CD2 3.89Å
187	A	96.8	Very high	95.6	Very high	2 Å²	2	72.1 Å²	72.1	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-74.6	-41.7	178.3	0	0	0	0	0	110.6	Y180 H181 Q184 K185 K191	Y180-A187 HydrophobicContact CD2-CB 4.25Å; Y180-A187 HydrophobicContact CE2-CB 3.45Å; Y180-A187 VanDerWaalsContact CE2-CB 3.45Å; H181-A187 WeakPolarHBondContact O-CB 3.44Å; Q184-A187 WeakPolarHBondContact O-CB 3.09Å; Q184-A187 PolarHBondContact O-N 3.29Å; K185-A187 VanDerWaalsContact C-N 3.26Å; K185-A187 PolarHBondContact O-N 3.37Å; A187-K191 VanDerWaalsContact O-CB 3.29Å; A187-K191 WeakPolarHBondContact O-CB 3.38Å; A187-K191 PolarHBondContact O-N 2.66Å
188	E	97.3	Very high	95.7	Very high	91 Å²	91	78.8 Å²	78.8	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-52.9	172.7	-176.2	-155.5	134.8	0	0	111.4	Q184 K185 Y190 K191 N192	Q184-E188 PolarHBondContact O-N 3.32Å; K185-E188 WeakPolarHBondContact CD-OE2 3.42Å; K185-E188 IonicContact NZ-OE1 3.96Å; K185-E188 PolarHBondContact NZ-OE1 3.46Å; K185-E188 IonicContact NZ-OE2 3.85Å; K185-E188 PolarHBondContact NZ-OE2 2.88Å; K185-E188 WeakPolarHBondContact O-CB 3.36Å; K185-E188 PolarHBondContact O-N 2.91Å; E188-Y190 PolarHBondContact O-N 3.23Å; E188-K191 PolarHBondContact O-N 3.06Å; E188-N192 PolarHBondContact O-N 3.19Å; E188-N192 VanDerWaalsContact O-N 3.12Å; E188-N192 PolarHBondContact O-ND2 3.27Å
189	V	98.1	Very high	96.1	Very high	10 Å²	10	75.7 Å²	75.7	6%	0.061	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-47	178.9	171.4	0	0	0	0	110.6	K185 K191 N192 L193 F228 L255 L280	K185-V189 HydrophobicContact CD-CG2 4.25Å; K185-V189 HydrophobicContact CG-CG2 4.22Å; K185-V189 WeakPolarHBondContact O-CG2 3.32Å; K185-V189 PolarHBondContact O-N 2.86Å; V189-K191 PolarHBondContact O-N 2.83Å; V189-N192 PolarHBondContact O-N 3.29Å; V189-L193 VanDerWaalsContact O-CB 3.26Å; V189-L193 WeakPolarHBondContact O-CB 3.47Å; V189-L193 PolarHBondContact O-N 3.35Å; V189-F228 HydrophobicContact CB-CE2 4.42Å; V189-F228 HydrophobicContact CG1-CE2 3.77Å; V189-F228 HydrophobicContact CG1-CZ 3.93Å; V189-L255 HydrophobicContact CB-CD2 4.09Å; V189-L255 HydrophobicContact CG1-CD2 4.43Å; V189-L255 HydrophobicContact CG2-CD1 4.46Å; V189-L255 HydrophobicContact CG2-CD2 3.91Å; V189-L280 HydrophobicContact CG1-CD1 4.23Å; V189-L280 HydrophobicContact CG1-CD2 3.89Å
190	Y	97.5	Very high	96.5	Very high	41 Å²	41	74.2 Å²	74.2	16%	0.161	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-45.7	176.5	170.7	-104	0	0	0	112.6	W175 R186 E188 N192 L193 S194 V199 I201 L226	W175-Y190 HydrophobicContact CE3-CD1 4.38Å; W175-Y190 AromaticContact CE3-CD2 3.66Å; W175-Y190 HydrophobicContact CE3-CD2 3.66Å; W175-Y190 HydrophobicContact CE3-CE2 4.07Å; W175-Y190 AromaticContact CE3-CG 3.86Å; W175-Y190 HydrophobicContact CE3-CG 3.86Å; W175-Y190 HydrophobicContact CH2-CD1 4.41Å; W175-Y190 AromaticContact CH2-CG 3.96Å; W175-Y190 HydrophobicContact CH2-CG 3.96Å; W175-Y190 AromaticContact CZ3-CD1 3.6Å; W175-Y190 HydrophobicContact CZ3-CD1 3.6Å; W175-Y190 AromaticContact CZ3-CD2 3.58Å; W175-Y190 HydrophobicContact CZ3-CD2 3.58Å; W175-Y190 HydrophobicContact CZ3-CE1 4.23Å; W175-Y190 HydrophobicContact CZ3-CE2 4.23Å; W175-Y190 AromaticContact CZ3-CG 3.25Å; W175-Y190 HydrophobicContact CZ3-CG 3.25Å; R186-Y190 WeakPolarHBondContact O-CB 3.44Å; R186-Y190 PolarHBondContact O-N 2.9Å; E188-Y190 PolarHBondContact O-N 3.23Å; Y190-N192 PolarHBondContact O-N 3.15Å; Y190-L193 PolarHBondContact O-N 3.31Å; Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.38Å; Y190-S194 PolarHBondContact O-N 3.33Å; Y190-S194 PolarHBondContact O-OG 3.13Å; Y190-S194 VanDerWaalsContact O-OG 3.13Å; Y190-V199 HydrophobicContact CE2-CB 3.93Å; Y190-V199 HydrophobicContact CE2-CG1 4.18Å; Y190-V199 HydrophobicContact CE2-CG2 4.05Å; Y190-I201 HydrophobicContact CE1-CD1 4.02Å; Y190-I201 HydrophobicContact CE2-CD1 4.14Å; Y190-I201 HydrophobicContact CE2-CG1 4.41Å; Y190-I201 VanDerWaalsContact CZ-CD1 3.46Å; Y190-I201 WeakPolarHBondContact OH-CD1 3.48Å; Y190-L226 HydrophobicContact CD2-CD1 4.27Å
191	K	97.1	Very high	96.8	Very high	136 Å²	136	71.4 Å²	71.4	59%	0.591	33%	0.327	S	S	*	.	H	α-helix	trans	-57.9	-37.9	179.7	179	-175.2	174.5	-171.2	0	112	A187 E188 V189 S194	A187-K191 VanDerWaalsContact O-CB 3.29Å; A187-K191 WeakPolarHBondContact O-CB 3.38Å; A187-K191 PolarHBondContact O-N 2.66Å; E188-K191 PolarHBondContact O-N 3.06Å; V189-K191 PolarHBondContact O-N 2.83Å; K191-S194 PolarHBondContact O-OG 2.77Å
192	N	97.7	Very high	97	Very high	54 Å²	54	67.9 Å²	67.9	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-80.6	-41	179.3	-71.6	-32.9	0	0	0	111.9	E188 V189 Y190 S194 R195 Y196 L280	E188-N192 PolarHBondContact O-N 3.19Å; E188-N192 VanDerWaalsContact O-N 3.12Å; E188-N192 PolarHBondContact O-ND2 3.27Å; V189-N192 PolarHBondContact O-N 3.29Å; Y190-N192 PolarHBondContact O-N 3.15Å; N192-S194 PolarHBondContact O-N 3.29Å; N192-R195 WeakPolarHBondContact O-CB 3.41Å; N192-R195 PolarHBondContact O-N 2.97Å; N192-Y196 WeakPolarHBondContact O-CD2 3.38Å; N192-L280 HydrophobicContact CB-CD1 3.45Å; N192-L280 VanDerWaalsContact CB-CD1 3.45Å
193	L	98.3	Very high	97.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-39.7	177.8	-178.9	62.8	0	0	0	112.2	V189 Y190 R195 Y196 L197 L226 L280 L283 A284	V189-L193 VanDerWaalsContact O-CB 3.26Å; V189-L193 WeakPolarHBondContact O-CB 3.47Å; V189-L193 PolarHBondContact O-N 3.35Å; Y190-L193 PolarHBondContact O-N 3.31Å; L193-R195 PolarHBondContact O-N 3.17Å; L193-R195 VanDerWaalsContact O-N 3.08Å; L193-Y196 PolarHBondContact O-N 3.16Å; L193-L197 HydrophobicContact CD1-CB 4.4Å; L193-L197 HydrophobicContact CD1-CD2 4.1Å; L193-L197 HydrophobicContact CD2-CD2 4.34Å; L193-L197 HydrophobicContact CG-CB 4.48Å; L193-L197 HydrophobicContact CG-CD2 4.22Å; L193-L197 PolarHBondContact O-N 2.88Å; L193-L226 HydrophobicContact CD2-CD1 4.3Å; L193-L226 HydrophobicContact CD2-CD2 4.19Å; L193-L280 HydrophobicContact CD1-CB 4.4Å; L193-L283 HydrophobicContact CD1-CD2 4.25Å; L193-L283 HydrophobicContact CD1-CG 4.38Å; L193-A284 HydrophobicContact CD1-CB 3.98Å
194	S	96.9	Very high	97.3	Very high	48 Å²	48	58.7 Å²	58.7	34%	0.336	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.8	-176.8	66.4	0	0	0	0	114.1	Y190 K191 N192 Y196 L197	Y190-S194 VanDerWaalsContact O-CB 3.29Å; Y190-S194 WeakPolarHBondContact O-CB 3.38Å; Y190-S194 PolarHBondContact O-N 3.33Å; Y190-S194 PolarHBondContact O-OG 3.13Å; Y190-S194 VanDerWaalsContact O-OG 3.13Å; K191-S194 PolarHBondContact O-OG 2.77Å; N192-S194 PolarHBondContact O-N 3.29Å; S194-Y196 VanDerWaalsContact C-N 3.28Å; S194-L197 WeakPolarHBondContact CA-O 3.21Å
195	R	98	Very high	97.2	Very high	178 Å²	178	60 Å²	60	67%	0.672	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-25.6	171.1	-65.9	176.2	153.5	-178.4	-9.2	113.1	N192 L193	N192-R195 WeakPolarHBondContact O-CB 3.41Å; N192-R195 PolarHBondContact O-N 2.97Å; L193-R195 PolarHBondContact O-N 3.17Å; L193-R195 VanDerWaalsContact O-N 3.08Å
196	Y	98.3	Very high	97	Very high	117 Å²	117	58.3 Å²	58.3	46%	0.459	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-12	-173.4	-54	-73.6	0	0	0	113.3	N192 L193 S194 A281 A284 K288	N192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L193-Y196 PolarHBondContact O-N 3.16Å; S194-Y196 VanDerWaalsContact C-N 3.28Å; Y196-A281 HydrophobicContact CD1-CB 4.11Å; Y196-A281 HydrophobicContact CD2-CB 4.15Å; Y196-A281 HydrophobicContact CE1-CB 3.97Å; Y196-A281 HydrophobicContact CE2-CB 4.02Å; Y196-A281 HydrophobicContact CG-CB 4.19Å; Y196-A284 VanDerWaalsContact CB-CB 3.48Å; Y196-K288 PolarHBondContact O-NZ 2.69Å
197	L	96.8	Very high	97	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.037	31%	0.313	C	S	.	.	S	Bend	trans	-149.4	125.1	-167.8	-174.9	65.3	0	0	0	111.2	L172 V173 L193 S194 A284 L287 K288	L172-L197 HydrophobicContact CD2-CD1 3.54Å; L172-L197 HydrophobicContact CG-CD1 4.42Å; V173-L197 HydrophobicContact CG2-CD1 4.32Å; V173-L197 HydrophobicContact CG2-CD2 3.74Å; V173-L197 HydrophobicContact CG2-CG 4.22Å; L193-L197 HydrophobicContact CD1-CB 4.4Å; L193-L197 HydrophobicContact CD1-CD2 4.1Å; L193-L197 HydrophobicContact CD2-CD2 4.34Å; L193-L197 HydrophobicContact CG-CB 4.48Å; L193-L197 HydrophobicContact CG-CD2 4.22Å; L193-L197 PolarHBondContact O-N 2.88Å; S194-L197 WeakPolarHBondContact CA-O 3.21Å; L197-A284 HydrophobicContact CB-CB 3.99Å; L197-L287 HydrophobicContact CD2-CD1 3.72Å; L197-K288 HydrophobicContact CD1-CD 4.25Å; L197-K288 HydrophobicContact CD1-CG 3.82Å
198	H	97.8	Very high	97	Very high	146 Å²	146	72.8 Å²	72.8	68%	0.676	34%	0.337	S	S	*	.			trans	-71.5	132.8	170.4	-174.6	74.7	0	0	0	110.7
199	V	98.3	Very high	96.9	Very high	8 Å²	8	73.2 Å²	73.2	5%	0.048	35%	0.348	C	S	.	.			trans	-125.2	123	179.1	-179.1	0	0	0	0	109.2	V173 W175 Y190 I201 L226	V173-V199 HydrophobicContact CB-CG2 4.43Å; V173-V199 HydrophobicContact CG1-CG1 4.16Å; V173-V199 HydrophobicContact CG1-CG2 4.25Å; W175-V199 HydrophobicContact CB-CG1 3.8Å; Y190-V199 HydrophobicContact CE2-CB 3.93Å; Y190-V199 HydrophobicContact CE2-CG1 4.18Å; Y190-V199 HydrophobicContact CE2-CG2 4.05Å; V199-I201 HydrophobicContact CG1-CG1 4.34Å; V199-I201 PolarHBondContact O-N 3.44Å; V199-L226 HydrophobicContact CG1-CD1 3.94Å; V199-L226 HydrophobicContact CG2-CD1 4.21Å
200	D	98.3	Very high	96.8	Very high	41 Å²	41	75 Å²	75	22%	0.219	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	105.3	172.5	-74.2	-83.8	0	0	0	110.1	R171 V173 S174 W175 Y202	R171-D200 WeakPolarHBondContact CD-OD2 3.42Å; R171-D200 WeakPolarHBondContact CG-OD2 3.31Å; R171-D200 IonicContact NE-OD1 3.9Å; V173-D200 PolarHBondContact O-N 3.48Å; S174-D200 CarbonylContact C-O 3.57Å; S174-D200 VanDerWaalsContact CA-O 3.29Å; S174-D200 WeakPolarHBondContact CA-O 3.23Å; W175-D200 PolarHBondContact N-O 3.06Å; D200-Y202 HydrophobicContact CB-CE2 3.9Å
201	I	97.8	Very high	96.7	Very high	31 Å²	31	76.1 Å²	76.1	16%	0.159	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.5	-177.9	-47	168.8	0	0	0	111.9	W175 I177 Y190 V199 N206	W175-I201 CarbonylContact O-C 3.32Å; W175-I201 WeakPolarHBondContact O-CA 3.25Å; I177-I201 HydrophobicContact CG2-CG2 3.77Å; Y190-I201 HydrophobicContact CE1-CD1 4.02Å; Y190-I201 HydrophobicContact CE2-CD1 4.14Å; Y190-I201 HydrophobicContact CE2-CG1 4.41Å; Y190-I201 VanDerWaalsContact CZ-CD1 3.46Å; Y190-I201 WeakPolarHBondContact OH-CD1 3.48Å; V199-I201 HydrophobicContact CG1-CG1 4.34Å; V199-I201 PolarHBondContact O-N 3.44Å; I201-N206 HydrophobicContact CB-CB 4.26Å; I201-N206 HydrophobicContact CG2-CB 3.7Å; I201-N206 PolarHBondContact O-ND2 3.09Å
202	Y	97.9	Very high	96.3	Very high	25 Å²	25	77.5 Å²	77.5	10%	0.098	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	174.4	173	-58.5	-80.9	0	0	0	111.2	R171 W175 V176 I177 D200 K208 L210 T218	R171-Y202 PolarHBondContact NH1-OH 3.44Å; R171-Y202 PolarHBondContact NH2-OH 3.01Å; W175-Y202 PolarHBondContact O-N 3.41Å; V176-Y202 WeakPolarHBondContact CA-O 3.31Å; V176-Y202 HydrophobicContact CG2-CD2 4.47Å; I177-Y202 PolarHBondContact N-O 2.81Å; D200-Y202 HydrophobicContact CB-CE2 3.9Å; Y202-K208 HydrophobicContact CD1-CB 4.4Å; Y202-L210 HydrophobicContact CD1-CD1 4.11Å; Y202-L210 HydrophobicContact CD1-CD2 3.99Å; Y202-L210 HydrophobicContact CD1-CG 4.17Å; Y202-L210 HydrophobicContact CD2-CD1 4.37Å; Y202-L210 HydrophobicContact CG-CD1 3.81Å; Y202-L210 HydrophobicContact CG-CG 4.26Å; Y202-T218 HydrophobicContact CD2-CG2 4.5Å; Y202-T218 HydrophobicContact CE1-CG2 4.11Å; Y202-T218 HydrophobicContact CE2-CG2 4.04Å
203	G	96.3	Very high	96.2	Very high	1 Å²	1	81 Å²	81	1%	0.01	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	101	176.5	176.6	0	0	0	0	0	113.6	I177 A205 N206 K207 K208	I177-G203 CarbonylContact O-C 3.45Å; I177-G203 WeakPolarHBondContact O-CA 3.12Å; G203-A205 VanDerWaalsContact C-N 3.28Å; G203-A205 PolarHBondContact O-N 2.97Å; G203-N206 PolarHBondContact O-N 3.38Å; G203-K207 PolarHBondContact O-N 2.86Å; G203-K208 PolarHBondContact N-O 3.37Å; G203-K208 CarbonylContact O-C 3.54Å; G203-K208 PolarHBondContact O-N 2.72Å; G203-K208 VanDerWaalsContact O-N 3.13Å
204	K	94.8	Very high	96.1	Very high	166 Å²	166	83.4 Å²	83.4	72%	0.722	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-61	-37	-173.6	-172.7	-178	178.2	-177.5	0	112.1	I177 S178 N206 K207	I177-K204 PolarHBondContact O-N 3.16Å; S178-K204 PolarHBondContact OG-N 2.86Å; K204-N206 PolarHBondContact O-N 2.99Å; K204-K207 PolarHBondContact O-N 3.48Å
205	A	93.3	Very high	96.1	Very high	50 Å²	50	82 Å²	82	41%	0.413	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-67.2	-22	-177.6	0	0	0	0	0	113	I177 G203	I177-A205 HydrophobicContact CG1-CB 4.46Å; I177-A205 HydrophobicContact CG2-CB 4.27Å; I177-A205 WeakPolarHBondContact O-CB 3.32Å; I177-A205 PolarHBondContact O-N 2.99Å; I177-A205 VanDerWaalsContact O-N 3.13Å; G203-A205 VanDerWaalsContact C-N 3.28Å; G203-A205 PolarHBondContact O-N 2.97Å
206	N	94	Very high	96.1	Very high	61 Å²	61	75.3 Å²	75.3	33%	0.326	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-108.4	16.9	177.1	-162.7	44.2	0	0	0	113.5	I201 G203 K204 K208	I201-N206 HydrophobicContact CB-CB 4.26Å; I201-N206 HydrophobicContact CG2-CB 3.7Å; I201-N206 PolarHBondContact O-ND2 3.09Å; G203-N206 PolarHBondContact O-N 3.38Å; K204-N206 PolarHBondContact O-N 2.99Å; N206-K208 PolarHBondContact O-N 3.48Å
207	K	95.9	Very high	96.1	Very high	196 Å²	196	73.1 Å²	73.1	85%	0.852	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	27.3	-176.7	-56.3	-179.4	-179.8	-179.7	0	114	G203 K204 P209	G203-K207 PolarHBondContact O-N 2.86Å; K204-K207 PolarHBondContact O-N 3.48Å; K207-P209 VanDerWaalsContact C-CD 3.46Å
208	K	96.8	Very high	96.2	Very high	122 Å²	122	74 Å²	74	53%	0.53	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-128.9	59.3	178.6	-69.3	-178.7	-174.4	-178.9	0	110.2	Y202 G203 N206	Y202-K208 HydrophobicContact CD1-CB 4.4Å; G203-K208 PolarHBondContact N-O 3.37Å; G203-K208 CarbonylContact O-C 3.54Å; G203-K208 PolarHBondContact O-N 2.72Å; G203-K208 VanDerWaalsContact O-N 3.13Å; N206-K208 PolarHBondContact O-N 3.48Å
209	P	96.1	Very high	96.2	Very high	100 Å²	100	67.1 Å²	67.1	65%	0.649	35%	0.351	S	S	*	.			trans	-60.8	143.6	-179.6	29.2	-35.2	0	0	0	110.5	K207	K207-P209 VanDerWaalsContact C-CD 3.46Å
210	L	95.8	Very high	96.2	Very high	48 Å²	48	68 Å²	68	25%	0.251	36%	0.357	S	S	.	.			trans	-104.6	135.6	173.2	-67.2	173.1	0	0	0	108.9	V176 Y202 L215 T218	V176-L210 HydrophobicContact CG2-CD1 4.01Å; Y202-L210 HydrophobicContact CD1-CD1 4.11Å; Y202-L210 HydrophobicContact CD1-CD2 3.99Å; Y202-L210 HydrophobicContact CD1-CG 4.17Å; Y202-L210 HydrophobicContact CD2-CD1 4.37Å; Y202-L210 HydrophobicContact CG-CD1 3.81Å; Y202-L210 HydrophobicContact CG-CG 4.26Å; L210-L215 HydrophobicContact CB-CD1 4.11Å; L210-L215 HydrophobicContact CD1-CD1 3.61Å; L210-T218 HydrophobicContact CD1-CG2 3.99Å; L210-T218 HydrophobicContact CD2-CG2 4.11Å
211	C	93.8	Very high	96.2	Very high	64 Å²	64	70.4 Å²	70.4	43%	0.432	37%	0.366	S	S	.	.			trans	-65.1	159.5	171.4	89.7	0	0	0	0	110.7	D213 C214 L215	C211-D213 PolarHBondContact O-N 2.73Å; C211-C214 HydrophobicContact CB-CB 4.02Å; C211-C214 WeakPolarHBondContact CB-SG 3.25Å; C211-C214 WeakPolarHBondContact O-CB 3.43Å; C211-C214 PolarHBondContact O-N 2.8Å; C211-C214 VanDerWaalsContact O-N 3.09Å; C211-C214 WeakPolarHBondContact SG-CB 3.21Å; C211-C214 PolarHBondContact SG-N 3.37Å; C211-C214 CovalentContact SG-SG 2.04Å; C211-C214 PolarHBondContact SG-SG 3.33Å; C211-L215 PolarHBondContact O-N 3.13Å
212	K	90.3	Very high	96.3	Very high	164 Å²	164	68.9 Å²	68.9	71%	0.713	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-42.1	-176.9	-176.7	-177.8	173.9	-172.7	0	112.6	R243	K212-R243 PolarHBondContact O-NH2 3.07Å; K212-R243 VanDerWaalsContact O-NH2 3.14Å
213	D	94.9	Very high	96.3	Very high	128 Å²	128	69.7 Å²	69.7	68%	0.684	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.2	-176.7	-54.2	-33.2	0	0	0	112.5	C211 P217	C211-D213 PolarHBondContact O-N 2.73Å; D213-P217 WeakPolarHBondContact O-CD 3.46Å; D213-P217 WeakPolarHBondContact O-CG 3.43Å
214	C	96.4	Very high	96.4	Very high	51 Å²	51	69.6 Å²	69.6	35%	0.345	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-24.4	176.7	-55.8	0	0	0	0	112.4	C211 T218	C211-C214 HydrophobicContact CB-CB 4.02Å; C211-C214 WeakPolarHBondContact CB-SG 3.25Å; C211-C214 WeakPolarHBondContact O-CB 3.43Å; C211-C214 PolarHBondContact O-N 2.8Å; C211-C214 VanDerWaalsContact O-N 3.09Å; C211-C214 WeakPolarHBondContact SG-CB 3.21Å; C211-C214 PolarHBondContact SG-N 3.37Å; C211-C214 CovalentContact SG-SG 2.04Å; C211-C214 PolarHBondContact SG-SG 3.33Å; C214-T218 VanDerWaalsContact O-CB 3.23Å; C214-T218 WeakPolarHBondContact O-CB 3.13Å; C214-T218 PolarHBondContact O-N 2.96Å; C214-T218 PolarHBondContact O-OG1 3.17Å
215	L	97.4	Very high	96.6	Very high	17 Å²	17	61.8 Å²	61.8	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-58.9	-169.5	-170.3	73.1	0	0	0	112.3	V176 L210 C211 T218 L219 N244	V176-L215 HydrophobicContact CG1-CD1 4.2Å; V176-L215 HydrophobicContact CG2-CD1 3.84Å; L210-L215 HydrophobicContact CB-CD1 4.11Å; L210-L215 HydrophobicContact CD1-CD1 3.61Å; C211-L215 PolarHBondContact O-N 3.13Å; L215-T218 PolarHBondContact O-N 2.94Å; L215-L219 HydrophobicContact CD1-CD1 3.97Å; L215-L219 HydrophobicContact CD1-CG 4.36Å; L215-L219 HydrophobicContact CD2-CD1 4.47Å; L215-L219 HydrophobicContact CG-CD1 3.91Å; L215-L219 HydrophobicContact CG-CG 4.43Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 3.15Å; L215-N244 WeakPolarHBondContact CD2-OD1 3.31Å
216	L	98.1	Very high	96.9	Very high	39 Å²	39	59.4 Å²	59.4	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-46.5	-175.7	-54.5	-179.2	0	0	0	112	T218 L219 S220 R243 M247 A248	L216-T218 PolarHBondContact O-N 3.34Å; L216-L219 PolarHBondContact O-N 2.96Å; L216-S220 VanDerWaalsContact O-CB 3.3Å; L216-S220 WeakPolarHBondContact O-CB 3.13Å; L216-S220 PolarHBondContact O-N 2.62Å; L216-S220 PolarHBondContact O-OG 3.28Å; L216-R243 HydrophobicContact CD2-CG 4.02Å; L216-R243 WeakPolarHBondContact CD2-O 3.45Å; L216-M247 HydrophobicContact CD1-CG 4.32Å; L216-M247 HydrophobicContact CD1-SD 4.24Å; L216-A248 HydrophobicContact CD2-CB 3.93Å
217	P	98.1	Very high	97.1	Very high	71 Å²	71	56.5 Å²	56.5	46%	0.461	29%	0.292	S	S	.	.	H	α-helix	trans	-57.5	-36	174.6	-26.6	36	0	0	0	113.4	D213 S220	D213-P217 WeakPolarHBondContact O-CD 3.46Å; D213-P217 WeakPolarHBondContact O-CG 3.43Å; P217-S220 PolarHBondContact O-OG 2.9Å
218	T	98.3	Very high	97.3	Very high	25 Å²	25	47.1 Å²	47.1	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-70.3	-47.3	178.1	-60.6	0	0	0	0	111.8	Y202 L210 C214 L215 L216 K221	Y202-T218 HydrophobicContact CD2-CG2 4.5Å; Y202-T218 HydrophobicContact CE1-CG2 4.11Å; Y202-T218 HydrophobicContact CE2-CG2 4.04Å; L210-T218 HydrophobicContact CD1-CG2 3.99Å; L210-T218 HydrophobicContact CD2-CG2 4.11Å; C214-T218 VanDerWaalsContact O-CB 3.23Å; C214-T218 WeakPolarHBondContact O-CB 3.13Å; C214-T218 PolarHBondContact O-N 2.96Å; C214-T218 PolarHBondContact O-OG1 3.17Å; L215-T218 PolarHBondContact O-N 2.94Å; L216-T218 PolarHBondContact O-N 3.34Å; T218-K221 PolarHBondContact O-N 2.92Å
219	L	98.4	Very high	97.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-72.8	-30.4	-176.8	-64.4	-175.2	0	0	0	112.9	V176 L215 L216 K221 S222 Y225 N244 A248	V176-L219 HydrophobicContact CG2-CD1 4.15Å; V176-L219 HydrophobicContact CG2-CD2 3.73Å; V176-L219 HydrophobicContact CG2-CG 4.36Å; L215-L219 HydrophobicContact CD1-CD1 3.97Å; L215-L219 HydrophobicContact CD1-CG 4.36Å; L215-L219 HydrophobicContact CD2-CD1 4.47Å; L215-L219 HydrophobicContact CG-CD1 3.91Å; L215-L219 HydrophobicContact CG-CG 4.43Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 3.15Å; L216-L219 PolarHBondContact O-N 2.96Å; L219-K221 PolarHBondContact O-N 3.07Å; L219-S222 PolarHBondContact O-N 3.37Å; L219-Y225 HydrophobicContact CD1-CD2 3.92Å; L219-Y225 HydrophobicContact CD1-CE2 3.62Å; L219-Y225 HydrophobicContact CD2-CD2 3.8Å; L219-Y225 HydrophobicContact CD2-CE2 3.81Å; L219-Y225 HydrophobicContact CG-CD2 4.38Å; L219-Y225 HydrophobicContact CG-CE2 4.35Å; L219-N244 HydrophobicContact CD1-CB 3.71Å; L219-N244 VanDerWaalsContact CD1-O 3.26Å; L219-N244 WeakPolarHBondContact CD1-O 3.01Å; L219-A248 HydrophobicContact CB-CB 3.92Å
220	S	98.3	Very high	97.4	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.6	176.5	74	0	0	0	0	113.7	K169 L216 P217 S222 A248	K169-S220 WeakPolarHBondContact CD-O 3.4Å; K169-S220 PolarHBondContact NZ-O 3.29Å; L216-S220 VanDerWaalsContact O-CB 3.3Å; L216-S220 WeakPolarHBondContact O-CB 3.13Å; L216-S220 PolarHBondContact O-N 2.62Å; L216-S220 PolarHBondContact O-OG 3.28Å; P217-S220 PolarHBondContact O-OG 2.9Å; S220-S222 VanDerWaalsContact C-N 3.25Å; S220-S222 PolarHBondContact O-N 3.16Å; S220-A248 VanDerWaalsContact CA-O 3.23Å; S220-A248 WeakPolarHBondContact CA-O 3.48Å; S220-A248 VanDerWaalsContact CB-O 3.24Å; S220-A248 WeakPolarHBondContact CB-O 3.32Å
221	K	98.5	Very high	97.4	Very high	92 Å²	92	36 Å²	36	40%	0.4	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.7	177.7	-61.8	179	-175.2	-178.7	0	113.6	K169 T170 R171 T218 L219	K169-K221 CarbonylContact C-O 3.55Å; K169-K221 WeakPolarHBondContact CA-O 3.26Å; T170-K221 PolarHBondContact N-O 3.01Å; R171-K221 PolarHBondContact N-O 2.93Å; T218-K221 PolarHBondContact O-N 2.92Å; L219-K221 PolarHBondContact O-N 3.07Å
222	S	98.6	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.3	-179.6	-54.2	0	0	0	0	112	K169 R171 S174 L219 S220 F224 T250	K169-S222 WeakPolarHBondContact CD-O 3.37Å; K169-S222 WeakPolarHBondContact CE-O 3.19Å; K169-S222 PolarHBondContact NZ-O 3.46Å; R171-S222 CarbonylContact O-C 3.51Å; R171-S222 WeakPolarHBondContact O-CA 3.32Å; S174-S222 VanDerWaalsContact CB-OG 3.32Å; S174-S222 WeakPolarHBondContact CB-OG 3.2Å; S174-S222 PolarHBondContact OG-OG 3.13Å; L219-S222 PolarHBondContact O-N 3.37Å; S220-S222 VanDerWaalsContact C-N 3.25Å; S220-S222 PolarHBondContact O-N 3.16Å; S222-F224 WeakPolarHBondContact CB-O 3.4Å; S222-T250 WeakPolarHBondContact O-CB 3.29Å; S222-T250 PolarHBondContact O-OG1 2.7Å
223	K	98.8	Very high	98	Very high	41 Å²	41	30.5 Å²	30.5	18%	0.178	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-45.2	171.5	-72	-173.7	77.5	-177.7	0	110.7	K169 R171 L172 T250 V251 M290 Y295	K169-K223 HydrophobicContact CB-CG 3.85Å; K169-K223 HydrophobicContact CG-CG 3.93Å; R171-K223 PolarHBondContact O-N 2.8Å; L172-K223 HydrophobicContact CD1-CB 4.48Å; L172-K223 HydrophobicContact CD1-CD 4.07Å; L172-K223 PolarHBondContact O-N 3.04Å; K223-T250 PolarHBondContact O-OG1 2.83Å; K223-T250 VanDerWaalsContact O-OG1 3.11Å; K223-V251 PolarHBondContact O-N 2.93Å; K223-M290 PolarHBondContact NZ-O 3.44Å; K223-Y295 VanDerWaalsContact CA-OH 3.31Å; K223-Y295 WeakPolarHBondContact CA-OH 3.46Å; K223-Y295 HydrophobicContact CB-CE2 3.79Å; K223-Y295 HydrophobicContact CG-CE2 4.26Å; K223-Y295 WeakPolarHBondContact O-CE2 3.47Å; K223-Y295 PolarHBondContact O-OH 3.09Å
224	F	98.9	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152	-176.7	-50.7	-77.6	0	0	0	111.8	L172 V173 S174 S222 T250 V251 V253 I272 L287 M290 Y295	L172-F224 HydrophobicContact CD1-CD2 4.01Å; L172-F224 HydrophobicContact CD1-CE2 3.85Å; L172-F224 HydrophobicContact CG-CD2 4.49Å; L172-F224 PolarHBondContact O-N 2.66Å; V173-F224 WeakPolarHBondContact CA-O 3.3Å; V173-F224 HydrophobicContact CG2-CB 4.13Å; V173-F224 HydrophobicContact CG2-CD2 4.22Å; S174-F224 PolarHBondContact N-O 3.41Å; S174-F224 VanDerWaalsContact N-O 3.11Å; S222-F224 WeakPolarHBondContact CB-O 3.4Å; F224-T250 WeakPolarHBondContact CA-OG1 3.26Å; F224-T250 PolarHBondContact N-OG1 2.77Å; F224-V251 VanDerWaalsContact CA-O 3.25Å; F224-V251 WeakPolarHBondContact CA-O 3.09Å; F224-V251 HydrophobicContact CD1-CB 3.77Å; F224-V251 HydrophobicContact CD1-CG1 4.06Å; F224-V251 HydrophobicContact CE1-CB 4.14Å; F224-V251 HydrophobicContact CE1-CG1 4.28Å; F224-V253 HydrophobicContact CB-CG2 3.96Å; F224-V253 HydrophobicContact CD1-CG2 4.27Å; F224-V253 HydrophobicContact CG-CG2 4.38Å; F224-I272 HydrophobicContact CD1-CD1 3.81Å; F224-I272 HydrophobicContact CE1-CD1 3.61Å; F224-L287 HydrophobicContact CD1-CD2 3.67Å; F224-L287 HydrophobicContact CD2-CB 4.26Å; F224-L287 HydrophobicContact CD2-CD2 3.88Å; F224-L287 HydrophobicContact CE1-CD2 3.68Å; F224-L287 HydrophobicContact CE2-CB 4.06Å; F224-L287 HydrophobicContact CE2-CD2 3.86Å; F224-L287 WeakPolarHBondContact CE2-O 3.43Å; F224-L287 HydrophobicContact CG-CD2 3.79Å; F224-L287 HydrophobicContact CZ-CD2 3.76Å; F224-M290 HydrophobicContact CE1-CE 3.76Å; F224-M290 HydrophobicContact CE1-SD 3.79Å; F224-M290 HydrophobicContact CZ-CB 4.26Å; F224-M290 HydrophobicContact CZ-CE 3.64Å; F224-M290 HydrophobicContact CZ-SD 3.52Å; F224-M290 VanDerWaalsContact CZ-SD 3.52Å; F224-Y295 HydrophobicContact CE1-CD2 4.13Å; F224-Y295 HydrophobicContact CE1-CE2 4.1Å; F224-Y295 HydrophobicContact CZ-CD2 4.08Å; F224-Y295 HydrophobicContact CZ-CE2 4.25Å
225	Y	98.9	Very high	98.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.6	171.2	176.4	-93.2	0	0	0	110.3	S174 V176 L219 A227 K240 N244 S245 T250 V251 V253	S174-Y225 WeakPolarHBondContact O-CA 3.47Å; S174-Y225 WeakPolarHBondContact O-CD2 3.38Å; V176-Y225 HydrophobicContact CB-CE2 4.19Å; V176-Y225 HydrophobicContact CG2-CE2 3.95Å; L219-Y225 HydrophobicContact CD1-CD2 3.92Å; L219-Y225 HydrophobicContact CD1-CE2 3.62Å; L219-Y225 HydrophobicContact CD2-CD2 3.8Å; L219-Y225 HydrophobicContact CD2-CE2 3.81Å; L219-Y225 HydrophobicContact CG-CD2 4.38Å; L219-Y225 HydrophobicContact CG-CE2 4.35Å; Y225-A227 HydrophobicContact CD1-CB 4.02Å; Y225-A227 HydrophobicContact CE1-CB 4.23Å; Y225-A227 PolarHBondContact O-N 3.04Å; Y225-K240 HydrophobicContact CE1-CB 4.36Å; Y225-N244 HydrophobicContact CD1-CB 4.34Å; Y225-N244 HydrophobicContact CE1-CB 3.62Å; Y225-N244 HydrophobicContact CE2-CB 4.13Å; Y225-N244 VanDerWaalsContact CZ-CB 3.49Å; Y225-N244 WeakPolarHBondContact OH-CB 3.15Å; Y225-N244 PolarHBondContact OH-ND2 3.43Å; Y225-S245 WeakPolarHBondContact CD1-OG 3.47Å; Y225-T250 HydrophobicContact CG-CG2 4.45Å; Y225-T250 PolarHBondContact N-OG1 3.15Å; Y225-V251 PolarHBondContact N-O 3.39Å; Y225-V253 PolarHBondContact O-N 3.2Å
226	L	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	93.6	174.3	-57	-171.9	0	0	0	109.6	V173 S174 W175 Y190 L193 V199 F228 V253	V173-L226 HydrophobicContact CG1-CD1 4.34Å; V173-L226 HydrophobicContact CG1-CD2 3.66Å; V173-L226 HydrophobicContact CG1-CG 3.66Å; S174-L226 PolarHBondContact O-N 3.33Å; W175-L226 HydrophobicContact CB-CB 4.04Å; W175-L226 HydrophobicContact CB-CD1 4.13Å; W175-L226 HydrophobicContact CB-CG 4.28Å; W175-L226 HydrophobicContact CD2-CD1 4.4Å; W175-L226 HydrophobicContact CG-CB 3.86Å; W175-L226 HydrophobicContact CG-CD1 4.22Å; W175-L226 HydrophobicContact CG-CG 4.48Å; W175-L226 PolarHBondContact NE1-O 2.85Å; Y190-L226 HydrophobicContact CD2-CD1 4.27Å; L193-L226 HydrophobicContact CD2-CD1 4.3Å; L193-L226 HydrophobicContact CD2-CD2 4.19Å; V199-L226 HydrophobicContact CG1-CD1 3.94Å; V199-L226 HydrophobicContact CG2-CD1 4.21Å; L226-F228 HydrophobicContact CB-CD1 4.11Å; L226-F228 HydrophobicContact CB-CD2 4.25Å; L226-F228 HydrophobicContact CB-CE1 4.1Å; L226-F228 HydrophobicContact CB-CE2 4.25Å; L226-F228 HydrophobicContact CB-CG 4.2Å; L226-F228 HydrophobicContact CB-CZ 4.18Å; L226-F228 HydrophobicContact CD1-CD2 4.48Å; L226-F228 HydrophobicContact CD1-CE2 3.93Å; L226-F228 HydrophobicContact CD1-CZ 4.16Å; L226-F228 HydrophobicContact CD2-CE1 4.09Å; L226-F228 HydrophobicContact CD2-CE2 4.45Å; L226-F228 HydrophobicContact CD2-CZ 3.84Å; L226-F228 HydrophobicContact CG-CE2 4.43Å; L226-F228 HydrophobicContact CG-CZ 4.27Å; L226-F228 PolarHBondContact O-N 3.17Å; L226-V253 CarbonylContact C-O 3.6Å; L226-V253 HydrophobicContact CD2-CB 3.97Å; L226-V253 HydrophobicContact CD2-CG1 4.13Å
227	A	98.8	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	55.4	177.4	0	0	0	0	0	111.1	Y225 K240 P252 V253 V254	Y225-A227 HydrophobicContact CD1-CB 4.02Å; Y225-A227 HydrophobicContact CE1-CB 4.23Å; Y225-A227 PolarHBondContact O-N 3.04Å; A227-K240 HydrophobicContact CB-CB 4.11Å; A227-P252 HydrophobicContact CB-CB 4.1Å; A227-V253 PolarHBondContact N-O 3.3Å; A227-V254 HydrophobicContact CB-CG1 3.97Å
228	F	98.6	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.9	-173.4	-66.6	-3	0	0	0	112.1	W175 R186 V189 L226 K240 V253 L255 V274	W175-F228 HydrophobicContact CZ2-CB 4.39Å; W175-F228 HydrophobicContact CZ2-CD2 4.21Å; R186-F228 HydrophobicContact CB-CB 3.76Å; R186-F228 HydrophobicContact CB-CD2 4.09Å; R186-F228 HydrophobicContact CB-CG 4.36Å; V189-F228 HydrophobicContact CB-CE2 4.42Å; V189-F228 HydrophobicContact CG1-CE2 3.77Å; V189-F228 HydrophobicContact CG1-CZ 3.93Å; L226-F228 HydrophobicContact CB-CD1 4.11Å; L226-F228 HydrophobicContact CB-CD2 4.25Å; L226-F228 HydrophobicContact CB-CE1 4.1Å; L226-F228 HydrophobicContact CB-CE2 4.25Å; L226-F228 HydrophobicContact CB-CG 4.2Å; L226-F228 HydrophobicContact CB-CZ 4.18Å; L226-F228 HydrophobicContact CD1-CD2 4.48Å; L226-F228 HydrophobicContact CD1-CE2 3.93Å; L226-F228 HydrophobicContact CD1-CZ 4.16Å; L226-F228 HydrophobicContact CD2-CE1 4.09Å; L226-F228 HydrophobicContact CD2-CE2 4.45Å; L226-F228 HydrophobicContact CD2-CZ 3.84Å; L226-F228 HydrophobicContact CG-CE2 4.43Å; L226-F228 HydrophobicContact CG-CZ 4.27Å; L226-F228 PolarHBondContact O-N 3.17Å; F228-K240 WeakPolarHBondContact O-CD 3.3Å; F228-K240 WeakPolarHBondContact O-CE 3.32Å; F228-V253 WeakPolarHBondContact CD1-O 3.35Å; F228-V253 HydrophobicContact CE1-CG1 4.2Å; F228-V253 WeakPolarHBondContact CE1-O 3.43Å; F228-L255 HydrophobicContact CB-CB 4.19Å; F228-L255 HydrophobicContact CB-CD2 4.37Å; F228-L255 HydrophobicContact CD1-CB 3.42Å; F228-L255 VanDerWaalsContact CD1-CB 3.42Å; F228-L255 HydrophobicContact CD2-CD2 4.2Å; F228-L255 HydrophobicContact CE1-CB 3.84Å; F228-L255 HydrophobicContact CG-CB 3.82Å; F228-L255 HydrophobicContact CG-CD2 4.13Å; F228-V274 HydrophobicContact CE1-CG1 3.68Å; F228-V274 HydrophobicContact CZ-CG1 3.89Å
229	E	98.4	Very high	98.3	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.019	11%	0.108	C	C	.	.			trans	-68.1	152.2	176.6	-60.9	-60.7	173.4	0	0	112.3	R186 S231 Y236 T238 K240 L255	R186-E229 WeakPolarHBondContact CD-O 3.46Å; E229-S231 VanDerWaalsContact CB-O 3.29Å; E229-S231 WeakPolarHBondContact CB-O 3.25Å; E229-S231 PolarHBondContact O-N 2.85Å; E229-Y236 HydrophobicContact CB-CD1 4.14Å; E229-Y236 HydrophobicContact CB-CE1 4.24Å; E229-Y236 HydrophobicContact CG-CD1 4.26Å; E229-T238 WeakPolarHBondContact OE1-CB 3.33Å; E229-T238 WeakPolarHBondContact OE1-CG2 3.44Å; E229-T238 PolarHBondContact OE1-N 3.12Å; E229-T238 PolarHBondContact OE1-OG1 3.18Å; E229-T238 VanDerWaalsContact OE2-CG2 3.25Å; E229-T238 WeakPolarHBondContact OE2-CG2 3.32Å; E229-T238 PolarHBondContact OE2-OG1 3.22Å; E229-K240 WeakPolarHBondContact OE2-CD 3.39Å; E229-K240 WeakPolarHBondContact OE2-CE 3.49Å; E229-K240 IonicContact OE2-NZ 3.64Å; E229-K240 PolarHBondContact OE2-NZ 3.03Å; E229-L255 PolarHBondContact N-O 3.02Å
230	N	96.9	Very high	98.3	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.102	11%	0.111	C	C	.	.	S	Bend	trans	-76.5	-10.5	-178.6	63	3.3	0	0	0	113	N126 Q184 R186 Y236	N126-N230 VanDerWaalsContact ND2-CG 3.29Å; N126-N230 PolarHBondContact ND2-ND2 3.11Å; N126-N230 PolarHBondContact ND2-OD1 3.16Å; Q184-N230 PolarHBondContact NE2-O 3.07Å; R186-N230 VanDerWaalsContact CZ-CB 3.48Å; N230-Y236 VanDerWaalsContact OD1-CE1 3.32Å; N230-Y236 WeakPolarHBondContact OD1-CE1 3.4Å; N230-Y236 PolarHBondContact OD1-OH 3.37Å
231	S	96.8	Very high	98.3	Very high	12 Å²	12	22.6 Å²	22.6	8%	0.084	10%	0.103	C	C	.	.	S	Bend	trans	-157.1	161.9	176.2	60.7	0	0	0	0	108.7	S123 E229 H233	S123-S231 WeakPolarHBondContact CB-OG 3.11Å; S123-S231 PolarHBondContact OG-OG 2.83Å; E229-S231 VanDerWaalsContact CB-O 3.29Å; E229-S231 WeakPolarHBondContact CB-O 3.25Å; E229-S231 PolarHBondContact O-N 2.85Å; S231-H233 PolarHBondContact OG-CD2 3.01Å
232	I	97.6	Very high	98.4	Very high	79 Å²	79	18.4 Å²	18.4	41%	0.405	8%	0.084	S	C	.	.			trans	-109.7	108.7	-179	-67	168.6	0	0	0	107.9	K185 L255 G256	K185-I232 HydrophobicContact CB-CD1 4.26Å; K185-I232 HydrophobicContact CG-CD1 4.02Å; I232-L255 HydrophobicContact CD1-CD1 4.2Å; I232-G256 WeakPolarHBondContact CG2-O 3.25Å
233	H	98	Very high	98.3	Very high	35 Å²	35	20.9 Å²	20.9	16%	0.162	9%	0.094	C	C	.	.			trans	-144.4	148.6	-179.8	-74.1	-76.1	0	0	0	110.7	P124 T125 S231 D235 Y236 P257	P124-H233 WeakPolarHBondContact CG-ND1 3.37Å; T125-H233 PolarHBondContact N-NE2 3.39Å; T125-H233 PolarHBondContact OG1-NE2 3.38Å; S231-H233 PolarHBondContact OG-CD2 3.01Å; H233-D235 PolarHBondContact O-N 2.88Å; H233-Y236 WeakPolarHBondContact O-CB 3.37Å; H233-Y236 PolarHBondContact O-N 3.4Å; H233-Y236 VanDerWaalsContact O-N 3.09Å; H233-P257 WeakPolarHBondContact O-CB 3.39Å
234	R	97.9	Very high	98.3	Very high	96 Å²	96	19.4 Å²	19.4	36%	0.362	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	132.6	178.4	174.6	178.8	168	-172.6	-8.8	110.9	Y143 D146 Y236	Y143-R234 WeakPolarHBondContact CE2-O 3.33Å; D146-R234 IonicContact OD2-CZ 2.74Å; D146-R234 IonicContact OD2-NH1 3.34Å; D146-R234 PolarHBondContact OD2-NH1 3.04Å; D146-R234 IonicContact OD2-NH2 2.83Å; D146-R234 PolarHBondContact OD2-NH2 3Å; R234-Y236 PolarHBondContact O-N 2.85Å
235	D	98.4	Very high	98.3	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	2.1	178.4	-61.3	-13.2	0	0	0	114.7	Y143 R145 H233 I237 N261 F265	Y143-D235 HydrophobicContact CD2-CB 4.42Å; Y143-D235 WeakPolarHBondContact CD2-O 3.39Å; R145-D235 WeakPolarHBondContact CB-OD2 3.39Å; R145-D235 IonicContact CZ-OD1 3.04Å; R145-D235 IonicContact CZ-OD2 3.24Å; R145-D235 PolarHBondContact N-OD2 3.31Å; R145-D235 IonicContact NE-OD1 3Å; R145-D235 PolarHBondContact NE-OD1 2.81Å; R145-D235 IonicContact NE-OD2 2.68Å; R145-D235 PolarHBondContact NE-OD2 3.09Å; R145-D235 VanDerWaalsContact NE-OD2 3.14Å; R145-D235 IonicContact NH2-OD1 3.84Å; R145-D235 PolarHBondContact NH2-OD1 2.68Å; R145-D235 IonicContact NH2-OD2 2.93Å; H233-D235 PolarHBondContact O-N 2.88Å; D235-I237 PolarHBondContact O-N 3.12Å; D235-N261 WeakPolarHBondContact CA-OD1 3.35Å; D235-N261 PolarHBondContact N-OD1 3.32Å; D235-N261 PolarHBondContact OD1-ND2 3.44Å; D235-N261 PolarHBondContact OD1-OD1 2.97Å; D235-F265 HydrophobicContact CB-CE2 4.16Å; D235-F265 HydrophobicContact CB-CZ 3.74Å; D235-F265 WeakPolarHBondContact OD1-CE2 3.4Å
236	Y	98.6	Very high	98.3	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.016	9%	0.09	C	C	.	.			trans	-77.1	85.1	-179	-169.4	-119.4	0	0	0	111.1	L121 E122 Y143 Y153 E229 N230 H233 R234 T238	L121-Y236 WeakPolarHBondContact O-CE2 3.1Å; E122-Y236 PolarHBondContact OE1-OH 3.37Å; E122-Y236 VanDerWaalsContact OE1-OH 3.1Å; Y143-Y236 AromaticContact CD1-CD2 3.78Å; Y143-Y236 HydrophobicContact CD1-CD2 3.78Å; Y143-Y236 HydrophobicContact CD1-CE2 4.21Å; Y143-Y236 AromaticContact CD2-CD2 3.96Å; Y143-Y236 HydrophobicContact CD2-CD2 3.96Å; Y143-Y236 AromaticContact CE1-CD2 3.45Å; Y143-Y236 HydrophobicContact CE1-CD2 3.45Å; Y143-Y236 VanDerWaalsContact CE1-CD2 3.45Å; Y143-Y236 AromaticContact CE1-CE2 3.96Å; Y143-Y236 HydrophobicContact CE1-CE2 3.96Å; Y143-Y236 HydrophobicContact CE1-CG 4.45Å; Y143-Y236 VanDerWaalsContact CE2-CA 3.42Å; Y143-Y236 VanDerWaalsContact CE2-CB 3.48Å; Y143-Y236 AromaticContact CE2-CD2 3.65Å; Y143-Y236 HydrophobicContact CE2-CD2 3.65Å; Y143-Y236 HydrophobicContact CE2-CG 4.03Å; Y143-Y236 HydrophobicContact CG-CD2 4.03Å; Y143-Y236 AromaticContact CZ-CD2 3.38Å; Y143-Y236 AromaticContact CZ-CG 3.96Å; Y153-Y236 HydrophobicContact CE2-CE2 4.39Å; E229-Y236 HydrophobicContact CB-CD1 4.14Å; E229-Y236 HydrophobicContact CB-CE1 4.24Å; E229-Y236 HydrophobicContact CG-CD1 4.26Å; N230-Y236 VanDerWaalsContact OD1-CE1 3.32Å; N230-Y236 WeakPolarHBondContact OD1-CE1 3.4Å; N230-Y236 PolarHBondContact OD1-OH 3.37Å; H233-Y236 WeakPolarHBondContact O-CB 3.37Å; H233-Y236 PolarHBondContact O-N 3.4Å; H233-Y236 VanDerWaalsContact O-N 3.09Å; R234-Y236 PolarHBondContact O-N 2.85Å; Y236-T238 HydrophobicContact CD1-CG2 4.28Å; Y236-T238 HydrophobicContact CD2-CG2 4.04Å; Y236-T238 HydrophobicContact CE1-CG2 3.83Å; Y236-T238 HydrophobicContact CE2-CG2 3.59Å; Y236-T238 HydrophobicContact CG-CG2 4.38Å; Y236-T238 VanDerWaalsContact CZ-CG2 3.48Å
237	I	98.6	Very high	98.2	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	11%	0.112	C	C	.	.			trans	-127.7	108.9	-177.1	-59.7	173.7	0	0	0	108.5	D235 L241 W242 P257 Y262 F265	D235-I237 PolarHBondContact O-N 3.12Å; I237-L241 HydrophobicContact CG2-CB 3.69Å; I237-L241 HydrophobicContact CG2-CD2 3.27Å; I237-L241 HydrophobicContact CG2-CG 4.07Å; I237-W242 HydrophobicContact CG2-CZ2 4.43Å; I237-W242 PolarHBondContact O-NE1 3.3Å; I237-P257 HydrophobicContact CD1-CG 4.43Å; I237-P257 HydrophobicContact CG1-CG 4.07Å; I237-Y262 HydrophobicContact CB-CE1 4.44Å; I237-Y262 HydrophobicContact CD1-CD1 3.51Å; I237-Y262 HydrophobicContact CD1-CE1 3.8Å; I237-Y262 HydrophobicContact CD1-CG 4.04Å; I237-Y262 HydrophobicContact CG1-CD1 3.96Å; I237-Y262 HydrophobicContact CG1-CE1 3.68Å; I237-Y262 HydrophobicContact CG2-CD1 4.38Å; I237-Y262 HydrophobicContact CG2-CE1 4.02Å; I237-F265 HydrophobicContact CD1-CB 4.45Å; I237-F265 HydrophobicContact CD1-CD2 3.48Å; I237-F265 VanDerWaalsContact CD1-CD2 3.48Å; I237-F265 HydrophobicContact CD1-CE2 3.86Å; I237-F265 HydrophobicContact CD1-CG 4.1Å
238	T	98.6	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.			trans	-106.2	-165.6	-162.2	71.2	0	0	0	0	113.5	Y153 E229 Y236 K240 L241 W242	Y153-T238 HydrophobicContact CD2-CG2 4.14Å; Y153-T238 HydrophobicContact CE1-CG2 4.35Å; Y153-T238 HydrophobicContact CE2-CG2 3.8Å; E229-T238 WeakPolarHBondContact OE1-CB 3.33Å; E229-T238 WeakPolarHBondContact OE1-CG2 3.44Å; E229-T238 PolarHBondContact OE1-N 3.12Å; E229-T238 PolarHBondContact OE1-OG1 3.18Å; E229-T238 VanDerWaalsContact OE2-CG2 3.25Å; E229-T238 WeakPolarHBondContact OE2-CG2 3.32Å; E229-T238 PolarHBondContact OE2-OG1 3.22Å; Y236-T238 HydrophobicContact CD1-CG2 4.28Å; Y236-T238 HydrophobicContact CD2-CG2 4.04Å; Y236-T238 HydrophobicContact CE1-CG2 3.83Å; Y236-T238 HydrophobicContact CE2-CG2 3.59Å; Y236-T238 HydrophobicContact CG-CG2 4.38Å; Y236-T238 VanDerWaalsContact CZ-CG2 3.48Å; T238-K240 PolarHBondContact O-N 3.19Å; T238-K240 PolarHBondContact OG1-N 2.8Å; T238-K240 PolarHBondContact OG1-NZ 3.44Å; T238-L241 PolarHBondContact O-N 2.71Å; T238-W242 PolarHBondContact O-N 3.03Å
239	E	98.2	Very high	98.1	Very high	67 Å²	67	24.9 Å²	24.9	31%	0.313	12%	0.117	S	C	.	.	H	α-helix	trans	-53.6	-21.9	173.3	77.9	-65.8	153	0	0	113.5	R243 N244	E239-R243 HydrophobicContact CB-CB 4.19Å; E239-R243 CarbonylContact O-C 3.3Å; E239-R243 WeakPolarHBondContact O-CA 3.49Å; E239-R243 WeakPolarHBondContact O-CB 3.47Å; E239-R243 PolarHBondContact O-N 3.05Å; E239-N244 PolarHBondContact O-N 3.04Å
240	K	98.6	Very high	98.1	Very high	15 Å²	15	24.8 Å²	24.8	7%	0.065	12%	0.117	C	C	.	.	H	α-helix	trans	-61.3	-46	179	-63	177.3	-157.3	62.3	0	111.8	Y225 A227 F228 E229 T238 S245	Y225-K240 HydrophobicContact CE1-CB 4.36Å; A227-K240 HydrophobicContact CB-CB 4.11Å; F228-K240 WeakPolarHBondContact O-CD 3.3Å; F228-K240 WeakPolarHBondContact O-CE 3.32Å; E229-K240 WeakPolarHBondContact OE2-CD 3.39Å; E229-K240 WeakPolarHBondContact OE2-CE 3.49Å; E229-K240 IonicContact OE2-NZ 3.64Å; E229-K240 PolarHBondContact OE2-NZ 3.03Å; T238-K240 PolarHBondContact O-N 3.19Å; T238-K240 PolarHBondContact OG1-N 2.8Å; T238-K240 PolarHBondContact OG1-NZ 3.44Å; K240-S245 PolarHBondContact O-N 2.97Å; K240-S245 PolarHBondContact O-OG 2.82Å
241	L	98.8	Very high	98.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-72.6	-56.8	172.4	-175.4	79.6	0	0	0	109.9	I237 T238 S245 L246 P252 V254 Y262 V266	I237-L241 HydrophobicContact CG2-CB 3.69Å; I237-L241 HydrophobicContact CG2-CD2 3.27Å; I237-L241 HydrophobicContact CG2-CG 4.07Å; T238-L241 PolarHBondContact O-N 2.71Å; L241-S245 VanDerWaalsContact O-CB 3.28Å; L241-S245 WeakPolarHBondContact O-CB 3.33Å; L241-S245 PolarHBondContact O-N 3.33Å; L241-L246 HydrophobicContact CD2-CD1 4.41Å; L241-L246 HydrophobicContact CG-CD1 4.14Å; L241-L246 HydrophobicContact CG-CG 4.46Å; L241-L246 PolarHBondContact O-N 2.85Å; L241-P252 HydrophobicContact CD1-CB 3.62Å; L241-P252 HydrophobicContact CD1-CG 3.59Å; L241-V254 HydrophobicContact CD1-CG1 3.72Å; L241-Y262 HydrophobicContact CD2-CD1 4.33Å; L241-Y262 HydrophobicContact CD2-CE1 4.48Å; L241-V266 HydrophobicContact CD2-CG1 4.01Å; L241-V266 HydrophobicContact CD2-CG2 4.4Å
242	W	98.7	Very high	98.3	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.011	11%	0.109	C	C	.	.	I	π-helix	trans	-71.2	-57.9	-165.5	-60	111.8	0	0	0	113.3	G154 L156 I237 T238 L246 M247 F265 V266 V307 L309	G154-W242 VanDerWaalsContact O-CZ2 3.25Å; G154-W242 WeakPolarHBondContact O-CZ2 3.29Å; L156-W242 HydrophobicContact CD2-CZ3 4.16Å; L156-W242 HydrophobicContact CG-CZ3 4.05Å; I237-W242 HydrophobicContact CG2-CZ2 4.43Å; I237-W242 PolarHBondContact O-NE1 3.3Å; T238-W242 PolarHBondContact O-N 3.03Å; W242-L246 HydrophobicContact CE3-CD1 4.08Å; W242-L246 HydrophobicContact CZ3-CD1 4.19Å; W242-M247 VanDerWaalsContact O-CB 3.29Å; W242-M247 WeakPolarHBondContact O-CB 3.31Å; W242-M247 PolarHBondContact O-N 3.05Å; W242-F265 HydrophobicContact CH2-CB 4.25Å; W242-F265 HydrophobicContact CZ2-CB 4.18Å; W242-V266 HydrophobicContact CH2-CG1 3.5Å; W242-V266 VanDerWaalsContact CH2-CG1 3.5Å; W242-V266 HydrophobicContact CZ2-CG1 4.37Å; W242-V266 HydrophobicContact CZ3-CG1 3.7Å; W242-V307 HydrophobicContact CB-CG1 4.34Å; W242-V307 HydrophobicContact CE3-CG1 4.26Å; W242-L309 HydrophobicContact CB-CD2 3.55Å
243	R	98.3	Very high	98.4	Very high	52 Å²	52	19.7 Å²	19.7	20%	0.196	9%	0.09	C	C	.	.	I	π-helix	trans	-84.6	-50.9	-174	-174.6	173	-168.7	-89.9	-2	111.2	K212 L216 E239 S245 A248 L309	K212-R243 PolarHBondContact O-NH2 3.07Å; K212-R243 VanDerWaalsContact O-NH2 3.14Å; L216-R243 HydrophobicContact CD2-CG 4.02Å; L216-R243 WeakPolarHBondContact CD2-O 3.45Å; E239-R243 HydrophobicContact CB-CB 4.19Å; E239-R243 CarbonylContact O-C 3.3Å; E239-R243 WeakPolarHBondContact O-CA 3.49Å; E239-R243 WeakPolarHBondContact O-CB 3.47Å; E239-R243 PolarHBondContact O-N 3.05Å; R243-S245 VanDerWaalsContact C-N 3.34Å; R243-S245 PolarHBondContact O-N 3.13Å; R243-A248 PolarHBondContact O-N 3.4Å; R243-L309 HydrophobicContact CB-CD1 3.84Å; R243-L309 HydrophobicContact CB-CD2 4.14Å; R243-L309 HydrophobicContact CG-CD1 3.84Å
244	N	98.4	Very high	98.4	Very high	11 Å²	11	18 Å²	18	6%	0.059	8%	0.082	C	C	.	.	I	π-helix	trans	-79.4	-21.2	-169	-57.3	-5.3	0	0	0	112.4	L215 L219 Y225 E239 A248	L215-N244 WeakPolarHBondContact CD2-OD1 3.31Å; L219-N244 HydrophobicContact CD1-CB 3.71Å; L219-N244 VanDerWaalsContact CD1-O 3.26Å; L219-N244 WeakPolarHBondContact CD1-O 3.01Å; Y225-N244 HydrophobicContact CD1-CB 4.34Å; Y225-N244 HydrophobicContact CE1-CB 3.62Å; Y225-N244 HydrophobicContact CE2-CB 4.13Å; Y225-N244 VanDerWaalsContact CZ-CB 3.49Å; Y225-N244 WeakPolarHBondContact OH-CB 3.15Å; Y225-N244 PolarHBondContact OH-ND2 3.43Å; E239-N244 PolarHBondContact O-N 3.04Å; N244-A248 WeakPolarHBondContact O-CB 3.28Å
245	S	98.6	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-108.5	-77.5	178	-46.2	0	0	0	0	113.3	Y225 K240 L241 R243 M247 A248 G249 T250	Y225-S245 WeakPolarHBondContact CD1-OG 3.47Å; K240-S245 PolarHBondContact O-N 2.97Å; K240-S245 PolarHBondContact O-OG 2.82Å; L241-S245 VanDerWaalsContact O-CB 3.28Å; L241-S245 WeakPolarHBondContact O-CB 3.33Å; L241-S245 PolarHBondContact O-N 3.33Å; R243-S245 VanDerWaalsContact C-N 3.34Å; R243-S245 PolarHBondContact O-N 3.13Å; S245-M247 PolarHBondContact O-N 2.84Å; S245-A248 CarbonylContact O-C 3.6Å; S245-A248 PolarHBondContact O-N 3.29Å; S245-G249 PolarHBondContact O-N 3.44Å; S245-G249 VanDerWaalsContact O-N 3.09Å; S245-T250 CarbonylContact C-O 3.58Å; S245-T250 WeakPolarHBondContact O-CG2 3.46Å; S245-T250 PolarHBondContact O-N 2.89Å; S245-T250 VanDerWaalsContact O-N 3.09Å
246	L	98.4	Very high	98.4	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.037	7%	0.068	C	C	.	.	I	π-helix	trans	-60	-47.1	-170.4	-64.1	178.6	0	0	0	111.6	L241 W242 A248 G249 P252 V266 W301 V307	L241-L246 HydrophobicContact CD2-CD1 4.41Å; L241-L246 HydrophobicContact CG-CD1 4.14Å; L241-L246 HydrophobicContact CG-CG 4.46Å; L241-L246 PolarHBondContact O-N 2.85Å; W242-L246 HydrophobicContact CE3-CD1 4.08Å; W242-L246 HydrophobicContact CZ3-CD1 4.19Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.1Å; L246-G249 PolarHBondContact O-N 3.44Å; L246-G249 VanDerWaalsContact O-N 3.16Å; L246-P252 HydrophobicContact CD2-CG 3.91Å; L246-P252 HydrophobicContact CG-CG 4.45Å; L246-V266 HydrophobicContact CD1-CG1 4.06Å; L246-W301 HydrophobicContact CB-CH2 4.13Å; L246-W301 HydrophobicContact CB-CZ2 3.93Å; L246-W301 HydrophobicContact CD2-CZ2 3.79Å; L246-W301 HydrophobicContact CG-CZ2 4.35Å; L246-V307 HydrophobicContact CB-CG2 3.73Å; L246-V307 HydrophobicContact CD1-CG2 4.44Å
247	M	97.4	Very high	98.4	Very high	96 Å²	96	13.6 Å²	13.6	47%	0.473	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.3	178.1	-167	-179.6	-168.8	0	0	113.4	L216 W242 S245 G249 V307 L309	L216-M247 HydrophobicContact CD1-CG 4.32Å; L216-M247 HydrophobicContact CD1-SD 4.24Å; W242-M247 VanDerWaalsContact O-CB 3.29Å; W242-M247 WeakPolarHBondContact O-CB 3.31Å; W242-M247 PolarHBondContact O-N 3.05Å; S245-M247 PolarHBondContact O-N 2.84Å; M247-G249 PolarHBondContact O-N 3.38Å; M247-V307 HydrophobicContact CB-CG1 4.48Å; M247-L309 HydrophobicContact SD-CD1 3.5Å; M247-L309 WeakPolarHBondContact SD-CD1 3.44Å; M247-L309 HydrophobicContact SD-CG 4.08Å
248	A	97.8	Very high	98.4	Very high	6 Å²	6	17.4 Å²	17.4	5%	0.05	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7	173.4	0	0	0	0	0	112.8	L216 L219 S220 R243 N244 S245 L246 T250	L216-A248 HydrophobicContact CD2-CB 3.93Å; L219-A248 HydrophobicContact CB-CB 3.92Å; S220-A248 VanDerWaalsContact CA-O 3.23Å; S220-A248 WeakPolarHBondContact CA-O 3.48Å; S220-A248 VanDerWaalsContact CB-O 3.24Å; S220-A248 WeakPolarHBondContact CB-O 3.32Å; R243-A248 PolarHBondContact O-N 3.4Å; N244-A248 WeakPolarHBondContact O-CB 3.28Å; S245-A248 CarbonylContact O-C 3.6Å; S245-A248 PolarHBondContact O-N 3.29Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.1Å; A248-T250 HydrophobicContact CB-CG2 4.21Å
249	G	97.8	Very high	98.4	Very high	6 Å²	6	20.8 Å²	20.8	6%	0.062	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	32.4	-177.5	0	0	0	0	0	113.1	K169 S245 L246 M247 F299	K169-G249 PolarHBondContact NZ-O 2.91Å; S245-G249 PolarHBondContact O-N 3.44Å; S245-G249 VanDerWaalsContact O-N 3.09Å; L246-G249 PolarHBondContact O-N 3.44Å; L246-G249 VanDerWaalsContact O-N 3.16Å; M247-G249 PolarHBondContact O-N 3.38Å; G249-F299 WeakPolarHBondContact O-CE1 3.4Å
250	T	98.3	Very high	98.4	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.012	12%	0.115	C	C	.	.			trans	-118	150.1	175	179.5	0	0	0	0	110.3	S222 K223 F224 Y225 S245 A248 P252	S222-T250 WeakPolarHBondContact O-CB 3.29Å; S222-T250 PolarHBondContact O-OG1 2.7Å; K223-T250 PolarHBondContact O-OG1 2.83Å; K223-T250 VanDerWaalsContact O-OG1 3.11Å; F224-T250 WeakPolarHBondContact CA-OG1 3.26Å; F224-T250 PolarHBondContact N-OG1 2.77Å; Y225-T250 HydrophobicContact CG-CG2 4.45Å; Y225-T250 PolarHBondContact N-OG1 3.15Å; S245-T250 CarbonylContact C-O 3.58Å; S245-T250 WeakPolarHBondContact O-CG2 3.46Å; S245-T250 PolarHBondContact O-N 2.89Å; S245-T250 VanDerWaalsContact O-N 3.09Å; A248-T250 HydrophobicContact CB-CG2 4.21Å; T250-P252 WeakPolarHBondContact O-CD 3.46Å
251	V	98.9	Very high	98.4	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.3	-178.9	179.5	0	0	0	0	109	K223 F224 Y225 V253 I272 Y295 F298 F299	K223-V251 PolarHBondContact O-N 2.93Å; F224-V251 VanDerWaalsContact CA-O 3.25Å; F224-V251 WeakPolarHBondContact CA-O 3.09Å; F224-V251 HydrophobicContact CD1-CB 3.77Å; F224-V251 HydrophobicContact CD1-CG1 4.06Å; F224-V251 HydrophobicContact CE1-CB 4.14Å; F224-V251 HydrophobicContact CE1-CG1 4.28Å; Y225-V251 PolarHBondContact N-O 3.39Å; V251-V253 PolarHBondContact O-N 2.76Å; V251-I272 HydrophobicContact CG1-CD1 3.92Å; V251-I272 HydrophobicContact CG1-CG1 4.17Å; V251-Y295 HydrophobicContact CB-CE2 4.32Å; V251-Y295 HydrophobicContact CG2-CD2 4.15Å; V251-Y295 HydrophobicContact CG2-CE2 3.49Å; V251-Y295 VanDerWaalsContact CG2-CE2 3.49Å; V251-F298 HydrophobicContact CB-CB 4.41Å; V251-F298 HydrophobicContact CB-CG 4.5Å; V251-F298 HydrophobicContact CG1-CB 4Å; V251-F298 HydrophobicContact CG1-CD1 3.66Å; V251-F298 HydrophobicContact CG1-CD2 4.19Å; V251-F298 HydrophobicContact CG1-CE1 4.18Å; V251-F298 HydrophobicContact CG1-CG 3.68Å; V251-F298 HydrophobicContact CG2-CB 3.51Å; V251-F298 HydrophobicContact CG2-CD2 4.27Å; V251-F298 HydrophobicContact CG2-CG 3.94Å; V251-F299 HydrophobicContact CG2-CD2 4.49Å; V251-F299 HydrophobicContact CG2-CE2 3.57Å; V251-F299 HydrophobicContact CG2-CZ 3.63Å
252	P	98.9	Very high	98.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.5	178.1	21.9	-25	0	0	0	111.5	A227 L241 L246 T250 V254 S270 F271 I272	A227-P252 HydrophobicContact CB-CB 4.1Å; L241-P252 HydrophobicContact CD1-CB 3.62Å; L241-P252 HydrophobicContact CD1-CG 3.59Å; L246-P252 HydrophobicContact CD2-CG 3.91Å; L246-P252 HydrophobicContact CG-CG 4.45Å; T250-P252 WeakPolarHBondContact O-CD 3.46Å; P252-V254 HydrophobicContact CB-CG1 3.93Å; P252-S270 WeakPolarHBondContact CD-O 3.06Å; P252-F271 HydrophobicContact CB-CB 4.41Å; P252-F271 HydrophobicContact CG-CB 3.71Å; P252-I272 PolarHBondContact O-N 3.21Å
253	V	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	108.4	162.5	-177.8	0	0	0	0	106.6	F224 Y225 L226 A227 F228 V251 I272 V274 L283 L287	F224-V253 HydrophobicContact CB-CG2 3.96Å; F224-V253 HydrophobicContact CD1-CG2 4.27Å; F224-V253 HydrophobicContact CG-CG2 4.38Å; Y225-V253 PolarHBondContact O-N 3.2Å; L226-V253 CarbonylContact C-O 3.6Å; L226-V253 HydrophobicContact CD2-CB 3.97Å; L226-V253 HydrophobicContact CD2-CG1 4.13Å; A227-V253 PolarHBondContact N-O 3.3Å; F228-V253 WeakPolarHBondContact CD1-O 3.35Å; F228-V253 HydrophobicContact CE1-CG1 4.2Å; F228-V253 WeakPolarHBondContact CE1-O 3.43Å; V251-V253 PolarHBondContact O-N 2.76Å; V253-I272 CarbonylContact C-O 3.11Å; V253-I272 VanDerWaalsContact CA-O 3.31Å; V253-I272 WeakPolarHBondContact CA-O 3.25Å; V253-I272 HydrophobicContact CG2-CB 4.29Å; V253-I272 HydrophobicContact CG2-CD1 4.25Å; V253-V274 HydrophobicContact CG1-CG1 4.03Å; V253-L283 HydrophobicContact CG1-CD1 4.3Å; V253-L283 HydrophobicContact CG1-CD2 4.27Å; V253-L287 HydrophobicContact CG2-CD1 4.17Å; V253-L287 HydrophobicContact CG2-CD2 3.98Å
254	V	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.9	-165.7	-60.7	0	0	0	0	112.3	A227 L241 P252 Y262 F271 I272 H273 V274	A227-V254 HydrophobicContact CB-CG1 3.97Å; L241-V254 HydrophobicContact CD1-CG1 3.72Å; P252-V254 HydrophobicContact CB-CG1 3.93Å; V254-Y262 HydrophobicContact CB-CE1 3.94Å; V254-Y262 HydrophobicContact CB-CE2 4.07Å; V254-Y262 HydrophobicContact CG1-CD1 4.43Å; V254-Y262 HydrophobicContact CG1-CE1 3.86Å; V254-Y262 HydrophobicContact CG2-CD1 4.43Å; V254-Y262 HydrophobicContact CG2-CD2 4.05Å; V254-Y262 HydrophobicContact CG2-CE1 4.14Å; V254-Y262 HydrophobicContact CG2-CE2 3.69Å; V254-Y262 HydrophobicContact CG2-CG 4.41Å; V254-F271 HydrophobicContact CG1-CB 4.45Å; V254-F271 HydrophobicContact CG2-CD2 3.59Å; V254-F271 HydrophobicContact CG2-CE2 4.03Å; V254-I272 PolarHBondContact N-O 3.44Å; V254-H273 HydrophobicContact CG2-CB 4.22Å; V254-H273 VanDerWaalsContact CG2-CD2 3.47Å; V254-H273 WeakPolarHBondContact CG2-CD2 3.43Å; V254-V274 VanDerWaalsContact O-CG1 3.31Å; V254-V274 WeakPolarHBondContact O-CG1 3.37Å; V254-V274 WeakPolarHBondContact O-CG2 3.48Å; V254-V274 PolarHBondContact O-N 2.82Å; V254-V274 VanDerWaalsContact O-N 3.13Å
255	L	98.7	Very high	98.4	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.8	167.4	170.2	71	0	0	0	106.2	K185 R186 V189 F228 E229 I232 V274	K185-L255 HydrophobicContact CG-CD1 4.3Å; K185-L255 HydrophobicContact CG-CD2 4.3Å; R186-L255 HydrophobicContact CB-CD2 3.89Å; V189-L255 HydrophobicContact CB-CD2 4.09Å; V189-L255 HydrophobicContact CG1-CD2 4.43Å; V189-L255 HydrophobicContact CG2-CD1 4.46Å; V189-L255 HydrophobicContact CG2-CD2 3.91Å; F228-L255 HydrophobicContact CB-CB 4.19Å; F228-L255 HydrophobicContact CB-CD2 4.37Å; F228-L255 HydrophobicContact CD1-CB 3.42Å; F228-L255 VanDerWaalsContact CD1-CB 3.42Å; F228-L255 HydrophobicContact CD2-CD2 4.2Å; F228-L255 HydrophobicContact CE1-CB 3.84Å; F228-L255 HydrophobicContact CG-CB 3.82Å; F228-L255 HydrophobicContact CG-CD2 4.13Å; E229-L255 PolarHBondContact N-O 3.02Å; I232-L255 HydrophobicContact CD1-CD1 4.2Å; L255-V274 HydrophobicContact CB-CG1 4.36Å; L255-V274 HydrophobicContact CB-CG2 3.99Å; L255-V274 HydrophobicContact CD1-CG2 3.59Å; L255-V274 HydrophobicContact CG-CG2 4.36Å
256	G	98	Very high	98.4	Very high	4 Å²	4	30 Å²	30	4%	0.041	16%	0.155	C	C	.	.	S	Bend	trans	-178.4	-136.3	-173	0	0	0	0	0	109.2	I232 Y262	I232-G256 WeakPolarHBondContact CG2-O 3.25Å; G256-Y262 WeakPolarHBondContact CA-OH 3.36Å
257	P	98.1	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-61.9	165.6	174.3	28.3	-35.3	0	0	0	112.1	H233 I237 N261 Y262 H273	H233-P257 WeakPolarHBondContact O-CB 3.39Å; I237-P257 HydrophobicContact CD1-CG 4.43Å; I237-P257 HydrophobicContact CG1-CG 4.07Å; P257-N261 HydrophobicContact CB-CB 3.76Å; P257-N261 WeakPolarHBondContact CB-OD1 3.28Å; P257-N261 HydrophobicContact CG-CB 4.16Å; P257-N261 VanDerWaalsContact CG-OD1 3.26Å; P257-N261 WeakPolarHBondContact CG-OD1 3.29Å; P257-Y262 HydrophobicContact CG-CD2 4.22Å; P257-Y262 HydrophobicContact CG-CE2 3.85Å; P257-Y262 WeakPolarHBondContact O-CD2 3.45Å; P257-Y262 WeakPolarHBondContact O-CE2 3.34Å; P257-H273 PolarHBondContact O-NE2 3.42Å
258	P	98.4	Very high	98.4	Very high	87 Å²	87	28.9 Å²	28.9	57%	0.565	16%	0.159	S	C	*	.			trans	-54.3	153.1	179.2	-26.2	34.4	0	0	0	113.2	A260 N261 Y262	P258-A260 VanDerWaalsContact C-N 3.29Å; P258-A260 PolarHBondContact O-N 3.41Å; P258-A260 VanDerWaalsContact O-N 3.16Å; P258-N261 WeakPolarHBondContact O-CA 3.24Å; P258-N261 WeakPolarHBondContact O-CB 3.29Å; P258-N261 PolarHBondContact O-N 2.92Å; P258-Y262 PolarHBondContact O-N 2.99Å
259	R	98.6	Very high	98.4	Very high	71 Å²	71	32.5 Å²	32.5	27%	0.268	18%	0.178	S	C	.	.	H	α-helix	trans	-44.5	-50.8	177.8	178.9	-176.8	179	83.4	16	113.5	N261 Y262 E263 A268 F271 H273 D276	R259-N261 PolarHBondContact O-N 3.14Å; R259-Y262 WeakPolarHBondContact O-CB 3.5Å; R259-Y262 PolarHBondContact O-N 2.86Å; R259-E263 HydrophobicContact CG-CG 4.39Å; R259-E263 IonicContact CZ-OE1 2.72Å; R259-E263 VanDerWaalsContact CZ-OE1 3.28Å; R259-E263 IonicContact NE-OE1 3.46Å; R259-E263 PolarHBondContact NE-OE1 3.21Å; R259-E263 IonicContact NH2-OE1 3.93Å; R259-E263 PolarHBondContact NH2-OE1 3.01Å; R259-E263 PolarHBondContact O-N 3.27Å; R259-E263 VanDerWaalsContact O-N 3.1Å; R259-A268 PolarHBondContact NH2-O 3.17Å; R259-F271 HydrophobicContact CG-CE2 4.17Å; R259-F271 HydrophobicContact CG-CZ 4.04Å; R259-H273 HydrophobicContact CB-CB 4.27Å; R259-H273 HydrophobicContact CG-CB 4.45Å; R259-H273 PolarHBondContact N-NE2 3.43Å; R259-D276 VanDerWaalsContact CD-OD1 3.29Å; R259-D276 WeakPolarHBondContact CD-OD1 3.31Å; R259-D276 IonicContact CZ-OD2 3.74Å; R259-D276 IonicContact NE-OD1 3.7Å; R259-D276 IonicContact NH1-OD1 3.22Å; R259-D276 PolarHBondContact NH1-OD1 3.38Å; R259-D276 IonicContact NH1-OD2 3.28Å; R259-D276 PolarHBondContact NH1-OD2 3.21Å
260	A	98.5	Very high	98.4	Very high	64 Å²	64	32.3 Å²	32.3	53%	0.529	18%	0.175	S	C	.	.	H	α-helix	trans	-58.2	-24.9	179.9	0	0	0	0	0	112.9	P258 R264	P258-A260 VanDerWaalsContact C-N 3.29Å; P258-A260 PolarHBondContact O-N 3.41Å; P258-A260 VanDerWaalsContact O-N 3.16Å; A260-R264 WeakPolarHBondContact O-CG 3.36Å
261	N	98.6	Very high	98.4	Very high	14 Å²	14	32.3 Å²	32.3	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-71.6	-45.3	174	-167.1	-107.1	0	0	0	111.9	D235 P257 P258 R259 E263 R264 F265	D235-N261 WeakPolarHBondContact CA-OD1 3.35Å; D235-N261 PolarHBondContact N-OD1 3.32Å; D235-N261 PolarHBondContact OD1-ND2 3.44Å; D235-N261 PolarHBondContact OD1-OD1 2.97Å; P257-N261 HydrophobicContact CB-CB 3.76Å; P257-N261 WeakPolarHBondContact CB-OD1 3.28Å; P257-N261 HydrophobicContact CG-CB 4.16Å; P257-N261 VanDerWaalsContact CG-OD1 3.26Å; P257-N261 WeakPolarHBondContact CG-OD1 3.29Å; P258-N261 WeakPolarHBondContact O-CA 3.24Å; P258-N261 WeakPolarHBondContact O-CB 3.29Å; P258-N261 PolarHBondContact O-N 2.92Å; R259-N261 PolarHBondContact O-N 3.14Å; N261-E263 VanDerWaalsContact C-N 3.32Å; N261-E263 PolarHBondContact O-N 3.46Å; N261-R264 PolarHBondContact O-N 3.16Å; N261-F265 WeakPolarHBondContact O-CD2 3.35Å
262	Y	98.7	Very high	98.4	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-41.4	174.5	-78.2	-84.5	0	0	0	112.3	I237 L241 V254 G256 P257 P258 R259 R264 F265 V266 F271 H273	I237-Y262 HydrophobicContact CB-CE1 4.44Å; I237-Y262 HydrophobicContact CD1-CD1 3.51Å; I237-Y262 HydrophobicContact CD1-CE1 3.8Å; I237-Y262 HydrophobicContact CD1-CG 4.04Å; I237-Y262 HydrophobicContact CG1-CD1 3.96Å; I237-Y262 HydrophobicContact CG1-CE1 3.68Å; I237-Y262 HydrophobicContact CG2-CD1 4.38Å; I237-Y262 HydrophobicContact CG2-CE1 4.02Å; L241-Y262 HydrophobicContact CD2-CD1 4.33Å; L241-Y262 HydrophobicContact CD2-CE1 4.48Å; V254-Y262 HydrophobicContact CB-CE1 3.94Å; V254-Y262 HydrophobicContact CB-CE2 4.07Å; V254-Y262 HydrophobicContact CG1-CD1 4.43Å; V254-Y262 HydrophobicContact CG1-CE1 3.86Å; V254-Y262 HydrophobicContact CG2-CD1 4.43Å; V254-Y262 HydrophobicContact CG2-CD2 4.05Å; V254-Y262 HydrophobicContact CG2-CE1 4.14Å; V254-Y262 HydrophobicContact CG2-CE2 3.69Å; V254-Y262 HydrophobicContact CG2-CG 4.41Å; G256-Y262 WeakPolarHBondContact CA-OH 3.36Å; P257-Y262 HydrophobicContact CG-CD2 4.22Å; P257-Y262 HydrophobicContact CG-CE2 3.85Å; P257-Y262 WeakPolarHBondContact O-CD2 3.45Å; P257-Y262 WeakPolarHBondContact O-CE2 3.34Å; P258-Y262 PolarHBondContact O-N 2.99Å; R259-Y262 WeakPolarHBondContact O-CB 3.5Å; R259-Y262 PolarHBondContact O-N 2.86Å; Y262-R264 PolarHBondContact O-N 3.02Å; Y262-R264 VanDerWaalsContact O-N 3.09Å; Y262-F265 PolarHBondContact O-N 2.86Å; Y262-V266 PolarHBondContact O-N 3.02Å; Y262-F271 VanDerWaalsContact CB-CZ 3.42Å; Y262-F271 HydrophobicContact CD2-CE2 4.47Å; Y262-F271 HydrophobicContact CG-CE2 4.2Å; Y262-F271 HydrophobicContact CG-CZ 4.28Å; Y262-H273 AromaticContact CD2-CD2 3.82Å; Y262-H273 AromaticContact CE2-CD2 3.89Å; Y262-H273 AromaticContact CE2-NE2 3.85Å
263	E	98.6	Very high	98.4	Very high	81 Å²	81	32.4 Å²	32.4	38%	0.379	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	-179.9	-67.8	-178	166.4	0	0	113.3	R259 N261 F265 V266 A268 F271	R259-E263 HydrophobicContact CG-CG 4.39Å; R259-E263 IonicContact CZ-OE1 2.72Å; R259-E263 VanDerWaalsContact CZ-OE1 3.28Å; R259-E263 IonicContact NE-OE1 3.46Å; R259-E263 PolarHBondContact NE-OE1 3.21Å; R259-E263 IonicContact NH2-OE1 3.93Å; R259-E263 PolarHBondContact NH2-OE1 3.01Å; R259-E263 PolarHBondContact O-N 3.27Å; R259-E263 VanDerWaalsContact O-N 3.1Å; N261-E263 VanDerWaalsContact C-N 3.32Å; N261-E263 PolarHBondContact O-N 3.46Å; E263-F265 VanDerWaalsContact C-N 3.26Å; E263-F265 PolarHBondContact O-N 3.36Å; E263-V266 CarbonylContact C-O 3.54Å; E263-V266 WeakPolarHBondContact CA-O 3.41Å; E263-A268 HydrophobicContact CG-CB 3.92Å; E263-A268 VanDerWaalsContact OE1-CB 3.26Å; E263-A268 WeakPolarHBondContact OE1-CB 3.44Å; E263-F271 HydrophobicContact CG-CE1 4.12Å; E263-F271 HydrophobicContact CG-CZ 3.95Å
264	R	98	Very high	98.4	Very high	139 Å²	139	32.9 Å²	32.9	53%	0.525	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.8	172.6	-53.5	169	62.3	-166.5	-2.6	113.6	R145 A260 N261 Y262	R145-R264 VanDerWaalsContact NH1-NE 3.11Å; R145-R264 PolarHBondContact NH1-O 2.94Å; R145-R264 VanDerWaalsContact NH2-NH1 3.11Å; A260-R264 WeakPolarHBondContact O-CG 3.36Å; N261-R264 PolarHBondContact O-N 3.16Å; Y262-R264 PolarHBondContact O-N 3.02Å; Y262-R264 VanDerWaalsContact O-N 3.09Å
265	F	98.3	Very high	98.4	Very high	38 Å²	38	38.5 Å²	38.5	17%	0.167	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-32.9	179.2	-63.7	-87.5	0	0	0	113.4	R145 F150 D235 I237 W242 N261 Y262 E263	R145-F265 HydrophobicContact CG-CE1 3.86Å; R145-F265 HydrophobicContact CG-CZ 3.82Å; R145-F265 VanDerWaalsContact CZ-CZ 3.45Å; R145-F265 VanDerWaalsContact NE-CZ 3.34Å; R145-F265 VanDerWaalsContact NH2-CE2 3.29Å; F150-F265 HydrophobicContact CE2-CE1 4.35Å; F150-F265 AromaticContact CZ-CE1 3.81Å; F150-F265 HydrophobicContact CZ-CE1 3.81Å; D235-F265 HydrophobicContact CB-CE2 4.16Å; D235-F265 HydrophobicContact CB-CZ 3.74Å; D235-F265 WeakPolarHBondContact OD1-CE2 3.4Å; I237-F265 HydrophobicContact CD1-CB 4.45Å; I237-F265 HydrophobicContact CD1-CD2 3.48Å; I237-F265 VanDerWaalsContact CD1-CD2 3.48Å; I237-F265 HydrophobicContact CD1-CE2 3.86Å; I237-F265 HydrophobicContact CD1-CG 4.1Å; W242-F265 HydrophobicContact CH2-CB 4.25Å; W242-F265 HydrophobicContact CZ2-CB 4.18Å; N261-F265 WeakPolarHBondContact O-CD2 3.35Å; Y262-F265 PolarHBondContact O-N 2.86Å; E263-F265 VanDerWaalsContact C-N 3.26Å; E263-F265 PolarHBondContact O-N 3.36Å
266	V	98.4	Very high	98.3	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.03	23%	0.225	C	C	.	.	S	Bend	trans	-137.5	154.8	-179.1	-63.2	0	0	0	0	110.5	L156 L241 W242 L246 Y262 E263 S270 F271	L156-V266 HydrophobicContact CD1-CB 4.41Å; L156-V266 HydrophobicContact CD1-CG1 4.19Å; L156-V266 HydrophobicContact CG-CG1 4.35Å; L241-V266 HydrophobicContact CD2-CG1 4.01Å; L241-V266 HydrophobicContact CD2-CG2 4.4Å; W242-V266 HydrophobicContact CH2-CG1 3.5Å; W242-V266 VanDerWaalsContact CH2-CG1 3.5Å; W242-V266 HydrophobicContact CZ2-CG1 4.37Å; W242-V266 HydrophobicContact CZ3-CG1 3.7Å; L246-V266 HydrophobicContact CD1-CG1 4.06Å; Y262-V266 PolarHBondContact O-N 3.02Å; E263-V266 CarbonylContact C-O 3.54Å; E263-V266 WeakPolarHBondContact CA-O 3.41Å; V266-S270 WeakPolarHBondContact CB-OG 3.37Å; V266-F271 HydrophobicContact CG2-CD1 3.66Å; V266-F271 HydrophobicContact CG2-CE1 3.89Å
267	P	98.2	Very high	98.4	Very high	38 Å²	38	42.9 Å²	42.9	25%	0.247	23%	0.23	C	C	.	.			trans	-56.4	141.6	175.3	-28.3	38.3	0	0	0	112.8	L156 D269 S270 W301	L156-P267 HydrophobicContact CD1-CG 4.39Å; P267-D269 WeakPolarHBondContact CB-OD1 3.49Å; P267-D269 PolarHBondContact O-N 3.48Å; P267-D269 VanDerWaalsContact O-N 3.15Å; P267-S270 WeakPolarHBondContact O-CB 3.34Å; P267-S270 PolarHBondContact O-N 3.08Å; P267-S270 PolarHBondContact O-OG 3.16Å; P267-W301 HydrophobicContact CG-CB 3.85Å
268	A	97.9	Very high	98.4	Very high	42 Å²	42	52.1 Å²	52.1	35%	0.347	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.9	-178.8	0	0	0	0	0	114	R259 E263	R259-A268 PolarHBondContact NH2-O 3.17Å; E263-A268 HydrophobicContact CG-CB 3.92Å; E263-A268 VanDerWaalsContact OE1-CB 3.26Å; E263-A268 WeakPolarHBondContact OE1-CB 3.44Å
269	D	97.1	Very high	98.4	Very high	81 Å²	81	50.7 Å²	50.7	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.1	179	63.1	-22.8	0	0	0	112.9	P267 F298	P267-D269 WeakPolarHBondContact CB-OD1 3.49Å; P267-D269 PolarHBondContact O-N 3.48Å; P267-D269 VanDerWaalsContact O-N 3.15Å; D269-F298 VanDerWaalsContact O-CA 3.24Å; D269-F298 WeakPolarHBondContact O-CA 3.15Å; D269-F298 WeakPolarHBondContact O-CD1 3.34Å
270	S	98.4	Very high	98.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.262	C	S	.	.	S	Bend	trans	-96.4	-5.5	-178.5	69.6	0	0	0	0	114.9	P252 V266 P267 W301	P252-S270 WeakPolarHBondContact CD-O 3.06Å; V266-S270 WeakPolarHBondContact CB-OG 3.37Å; P267-S270 WeakPolarHBondContact O-CB 3.34Å; P267-S270 PolarHBondContact O-N 3.08Å; P267-S270 PolarHBondContact O-OG 3.16Å; S270-W301 VanDerWaalsContact CB-CD1 3.43Å
271	F	98.8	Very high	98.4	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	25%	0.251	C	S	.	.			trans	-150.1	164.8	-175.1	70.8	-85.3	0	0	0	111.9	P252 V254 R259 Y262 E263 V266 H273	P252-F271 HydrophobicContact CB-CB 4.41Å; P252-F271 HydrophobicContact CG-CB 3.71Å; V254-F271 HydrophobicContact CG1-CB 4.45Å; V254-F271 HydrophobicContact CG2-CD2 3.59Å; V254-F271 HydrophobicContact CG2-CE2 4.03Å; R259-F271 HydrophobicContact CG-CE2 4.17Å; R259-F271 HydrophobicContact CG-CZ 4.04Å; Y262-F271 VanDerWaalsContact CB-CZ 3.42Å; Y262-F271 HydrophobicContact CD2-CE2 4.47Å; Y262-F271 HydrophobicContact CG-CE2 4.2Å; Y262-F271 HydrophobicContact CG-CZ 4.28Å; E263-F271 HydrophobicContact CG-CE1 4.12Å; E263-F271 HydrophobicContact CG-CZ 3.95Å; V266-F271 HydrophobicContact CG2-CD1 3.66Å; V266-F271 HydrophobicContact CG2-CE1 3.89Å; F271-H273 HydrophobicContact CD2-CB 4.48Å; F271-H273 HydrophobicContact CE2-CB 4.1Å
272	I	98.9	Very high	98.4	Very high	4 Å²	4	51 Å²	51	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.8	175.1	-61.4	164.4	0	0	0	107.3	F224 V251 P252 V253 V254 F277 L283 F286 L287 M290 F298	F224-I272 HydrophobicContact CD1-CD1 3.81Å; F224-I272 HydrophobicContact CE1-CD1 3.61Å; V251-I272 HydrophobicContact CG1-CD1 3.92Å; V251-I272 HydrophobicContact CG1-CG1 4.17Å; P252-I272 PolarHBondContact O-N 3.21Å; V253-I272 CarbonylContact C-O 3.11Å; V253-I272 VanDerWaalsContact CA-O 3.31Å; V253-I272 WeakPolarHBondContact CA-O 3.25Å; V253-I272 HydrophobicContact CG2-CB 4.29Å; V253-I272 HydrophobicContact CG2-CD1 4.25Å; V254-I272 PolarHBondContact N-O 3.44Å; I272-F277 HydrophobicContact CG2-CE2 3.57Å; I272-F277 HydrophobicContact CG2-CZ 4Å; I272-L283 HydrophobicContact CG2-CD1 3.98Å; I272-F286 HydrophobicContact CD1-CD1 4.5Å; I272-F286 HydrophobicContact CD1-CE1 3.88Å; I272-F286 HydrophobicContact CG1-CE1 4.22Å; I272-F286 HydrophobicContact CG2-CE1 4.4Å; I272-L287 HydrophobicContact CD1-CD2 3.68Å; I272-M290 HydrophobicContact CD1-CE 3.99Å; I272-F298 HydrophobicContact CD1-CE1 4.3Å; I272-F298 HydrophobicContact CD1-CE2 4.45Å; I272-F298 HydrophobicContact CD1-CZ 3.96Å; I272-F298 HydrophobicContact CG1-CE1 3.61Å; I272-F298 HydrophobicContact CG1-CZ 3.63Å
273	H	98.9	Very high	98.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.4	175.2	-158.3	-86.7	0	0	0	109.7	V254 P257 R259 Y262 F271 D275 D276	V254-H273 HydrophobicContact CG2-CB 4.22Å; V254-H273 VanDerWaalsContact CG2-CD2 3.47Å; V254-H273 WeakPolarHBondContact CG2-CD2 3.43Å; P257-H273 PolarHBondContact O-NE2 3.42Å; R259-H273 HydrophobicContact CB-CB 4.27Å; R259-H273 HydrophobicContact CG-CB 4.45Å; R259-H273 PolarHBondContact N-NE2 3.43Å; Y262-H273 AromaticContact CD2-CD2 3.82Å; Y262-H273 AromaticContact CE2-CD2 3.89Å; Y262-H273 AromaticContact CE2-NE2 3.85Å; F271-H273 HydrophobicContact CD2-CB 4.48Å; F271-H273 HydrophobicContact CE2-CB 4.1Å; H273-D275 IonicContact CE1-OD2 2.76Å; H273-D275 PolarHBondContact CE1-OD2 2.79Å; H273-D275 VanDerWaalsContact CE1-OD2 3.22Å; H273-D275 WeakPolarHBondContact ND1-CB 3.33Å; H273-D275 PolarHBondContact ND1-N 3.26Å; H273-D275 VanDerWaalsContact ND1-N 3.19Å; H273-D275 IonicContact ND1-OD2 3.2Å; H273-D275 PolarHBondContact O-N 3.34Å; H273-D276 VanDerWaalsContact CB-OD2 3.28Å; H273-D276 WeakPolarHBondContact CB-OD2 3.28Å; H273-D276 PolarHBondContact N-OD2 3.01Å; H273-D276 WeakPolarHBondContact O-CB 3.27Å; H273-D276 PolarHBondContact O-N 3.17Å; H273-D276 VanDerWaalsContact O-N 3.12Å
274	V	98.6	Very high	98.4	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-62.1	-32.6	179.2	-68.4	0	0	0	0	112.6	F228 V253 V254 L255 D276 L283	F228-V274 HydrophobicContact CE1-CG1 3.68Å; F228-V274 HydrophobicContact CZ-CG1 3.89Å; V253-V274 HydrophobicContact CG1-CG1 4.03Å; V254-V274 VanDerWaalsContact O-CG1 3.31Å; V254-V274 WeakPolarHBondContact O-CG1 3.37Å; V254-V274 WeakPolarHBondContact O-CG2 3.48Å; V254-V274 PolarHBondContact O-N 2.82Å; V254-V274 VanDerWaalsContact O-N 3.13Å; L255-V274 HydrophobicContact CB-CG1 4.36Å; L255-V274 HydrophobicContact CB-CG2 3.99Å; L255-V274 HydrophobicContact CD1-CG2 3.59Å; L255-V274 HydrophobicContact CG-CG2 4.36Å; V274-D276 PolarHBondContact O-N 3.41Å; V274-L283 HydrophobicContact CB-CD2 4.38Å; V274-L283 HydrophobicContact CG1-CD2 3.95Å
275	D	97.9	Very high	98.4	Very high	119 Å²	119	43.2 Å²	43.2	64%	0.636	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-81.6	5.3	178.8	-54.9	-27.6	0	0	0	113.5	H273 F277	H273-D275 IonicContact CE1-OD2 2.76Å; H273-D275 PolarHBondContact CE1-OD2 2.79Å; H273-D275 VanDerWaalsContact CE1-OD2 3.22Å; H273-D275 WeakPolarHBondContact ND1-CB 3.33Å; H273-D275 PolarHBondContact ND1-N 3.26Å; H273-D275 VanDerWaalsContact ND1-N 3.19Å; H273-D275 IonicContact ND1-OD2 3.2Å; H273-D275 PolarHBondContact O-N 3.34Å; D275-F277 PolarHBondContact O-N 3.27Å
276	D	98.4	Very high	98.4	Very high	71 Å²	71	44 Å²	44	38%	0.38	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-75.1	-6.1	170.5	-65	-25.4	0	0	0	112.4	R259 H273 V274	R259-D276 VanDerWaalsContact CD-OD1 3.29Å; R259-D276 WeakPolarHBondContact CD-OD1 3.31Å; R259-D276 IonicContact CZ-OD2 3.74Å; R259-D276 IonicContact NE-OD1 3.7Å; R259-D276 IonicContact NH1-OD1 3.22Å; R259-D276 PolarHBondContact NH1-OD1 3.38Å; R259-D276 IonicContact NH1-OD2 3.28Å; R259-D276 PolarHBondContact NH1-OD2 3.21Å; H273-D276 VanDerWaalsContact CB-OD2 3.28Å; H273-D276 WeakPolarHBondContact CB-OD2 3.28Å; H273-D276 PolarHBondContact N-OD2 3.01Å; H273-D276 WeakPolarHBondContact O-CB 3.27Å; H273-D276 PolarHBondContact O-N 3.17Å; H273-D276 VanDerWaalsContact O-N 3.12Å; V274-D276 PolarHBondContact O-N 3.41Å
277	F	98.6	Very high	98.4	Very high	31 Å²	31	43.8 Å²	43.8	14%	0.136	24%	0.243	C	C	.	.	S	Bend	trans	-122.4	145.5	-172.8	-57.7	-87.8	0	0	0	110.4	I272 D275 S279 E282 L283 F286	I272-F277 HydrophobicContact CG2-CE2 3.57Å; I272-F277 HydrophobicContact CG2-CZ 4Å; D275-F277 PolarHBondContact O-N 3.27Å; F277-S279 PolarHBondContact O-N 3.08Å; F277-E282 HydrophobicContact CB-CB 4.35Å; F277-E282 HydrophobicContact CD1-CB 4.4Å; F277-E282 HydrophobicContact CD1-CG 3.95Å; F277-L283 HydrophobicContact CB-CB 4.22Å; F277-L283 HydrophobicContact CD1-CB 4.37Å; F277-L283 HydrophobicContact CD2-CB 3.84Å; F277-L283 HydrophobicContact CD2-CD1 3.72Å; F277-L283 HydrophobicContact CD2-CG 4.27Å; F277-L283 HydrophobicContact CE2-CB 4.37Å; F277-L283 HydrophobicContact CE2-CD1 3.43Å; F277-L283 VanDerWaalsContact CE2-CD1 3.43Å; F277-L283 HydrophobicContact CE2-CG 4.44Å; F277-L283 HydrophobicContact CG-CB 3.85Å; F277-L283 HydrophobicContact CG-CD1 4.46Å; F277-L283 HydrophobicContact CZ-CD1 3.95Å; F277-F286 HydrophobicContact CD1-CB 4.37Å; F277-F286 HydrophobicContact CE1-CB 3.5Å; F277-F286 VanDerWaalsContact CE1-CB 3.5Å; F277-F286 AromaticContact CE1-CD1 3.81Å; F277-F286 HydrophobicContact CE1-CD1 3.81Å; F277-F286 AromaticContact CE1-CD2 3.86Å; F277-F286 HydrophobicContact CE1-CD2 3.86Å; F277-F286 HydrophobicContact CE1-CE1 4.44Å; F277-F286 AromaticContact CE1-CG 3.46Å; F277-F286 HydrophobicContact CE1-CG 3.46Å; F277-F286 VanDerWaalsContact CE1-CG 3.46Å; F277-F286 HydrophobicContact CZ-CB 3.99Å; F277-F286 AromaticContact CZ-CD1 3.42Å; F277-F286 HydrophobicContact CZ-CD1 3.42Å; F277-F286 VanDerWaalsContact CZ-CD1 3.42Å; F277-F286 HydrophobicContact CZ-CD2 4.18Å; F277-F286 AromaticContact CZ-CE1 3.81Å; F277-F286 HydrophobicContact CZ-CE1 3.81Å; F277-F286 AromaticContact CZ-CG 3.61Å; F277-F286 HydrophobicContact CZ-CG 3.61Å; F277-F286 HydrophobicContact CZ-CZ 4.36Å
278	E	97.9	Very high	98.4	Very high	193 Å²	193	47.3 Å²	47.3	90%	0.902	26%	0.255	S	S	*	.	S	Bend	trans	-68.3	-25.4	176.5	-62.4	-174	166.9	0	0	111.5	E282	E278-E282 PolarHBondContact N-OE2 3.02Å
279	S	98.4	Very high	98.4	Very high	57 Å²	57	50.1 Å²	50.1	40%	0.399	27%	0.268	S	S	.	.			trans	-150.9	160	178.2	73.3	0	0	0	0	114.1	F277 A281 E282 L283	F277-S279 PolarHBondContact O-N 3.08Å; S279-A281 PolarHBondContact O-N 3.46Å; S279-E282 WeakPolarHBondContact O-CB 3.38Å; S279-E282 PolarHBondContact O-N 2.8Å; S279-E282 VanDerWaalsContact O-N 3.16Å; S279-E282 PolarHBondContact OG-N 3Å; S279-E282 VanDerWaalsContact OG-N 3.12Å; S279-L283 PolarHBondContact O-N 2.97Å
280	L	98.4	Very high	98.4	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.199	25%	0.25	C	S	.	.	H	α-helix	trans	-68.6	-21.6	173.3	-64.4	173.9	0	0	0	113.1	V189 N192 L193 L283 A284	V189-L280 HydrophobicContact CG1-CD1 4.23Å; V189-L280 HydrophobicContact CG1-CD2 3.89Å; N192-L280 HydrophobicContact CB-CD1 3.45Å; N192-L280 VanDerWaalsContact CB-CD1 3.45Å; L193-L280 HydrophobicContact CD1-CB 4.4Å; L280-L283 HydrophobicContact CD2-CD2 4.05Å; L280-A284 VanDerWaalsContact O-CB 3.29Å; L280-A284 WeakPolarHBondContact O-CB 3.48Å; L280-A284 PolarHBondContact O-N 3.34Å
281	A	98.6	Very high	98.2	Very high	36 Å²	36	51.2 Å²	51.2	30%	0.298	27%	0.273	S	S	.	.	H	α-helix	trans	-69.4	-40.4	171.4	0	0	0	0	0	110.8	Y196 S279 A284 S285	Y196-A281 HydrophobicContact CD1-CB 4.11Å; Y196-A281 HydrophobicContact CD2-CB 4.15Å; Y196-A281 HydrophobicContact CE1-CB 3.97Å; Y196-A281 HydrophobicContact CE2-CB 4.02Å; Y196-A281 HydrophobicContact CG-CB 4.19Å; S279-A281 PolarHBondContact O-N 3.46Å; A281-A284 PolarHBondContact O-N 2.85Å; A281-S285 WeakPolarHBondContact O-CB 3.33Å; A281-S285 PolarHBondContact O-N 3Å
282	E	98.7	Very high	98.1	Very high	83 Å²	83	54.6 Å²	54.6	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-48.5	174.4	-168.3	-165	171.5	0	0	111.2	F277 E278 S279 A284 S285 F286	F277-E282 HydrophobicContact CB-CB 4.35Å; F277-E282 HydrophobicContact CD1-CB 4.4Å; F277-E282 HydrophobicContact CD1-CG 3.95Å; E278-E282 PolarHBondContact N-OE2 3.02Å; S279-E282 WeakPolarHBondContact O-CB 3.38Å; S279-E282 PolarHBondContact O-N 2.8Å; S279-E282 VanDerWaalsContact O-N 3.16Å; S279-E282 PolarHBondContact OG-N 3Å; S279-E282 VanDerWaalsContact OG-N 3.12Å; E282-A284 VanDerWaalsContact C-N 3.29Å; E282-A284 PolarHBondContact O-N 3.32Å; E282-S285 WeakPolarHBondContact O-CA 3.5Å; E282-S285 WeakPolarHBondContact O-CB 3.5Å; E282-S285 PolarHBondContact O-N 3.28Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 2.83Å
283	L	98.8	Very high	97.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-53.5	-47.6	172.2	171.4	61.1	0	0	0	111	L193 V253 I272 V274 F277 S279 L280 S285 F286 L287	L193-L283 HydrophobicContact CD1-CD2 4.25Å; L193-L283 HydrophobicContact CD1-CG 4.38Å; V253-L283 HydrophobicContact CG1-CD1 4.3Å; V253-L283 HydrophobicContact CG1-CD2 4.27Å; I272-L283 HydrophobicContact CG2-CD1 3.98Å; V274-L283 HydrophobicContact CB-CD2 4.38Å; V274-L283 HydrophobicContact CG1-CD2 3.95Å; F277-L283 HydrophobicContact CB-CB 4.22Å; F277-L283 HydrophobicContact CD1-CB 4.37Å; F277-L283 HydrophobicContact CD2-CB 3.84Å; F277-L283 HydrophobicContact CD2-CD1 3.72Å; F277-L283 HydrophobicContact CD2-CG 4.27Å; F277-L283 HydrophobicContact CE2-CB 4.37Å; F277-L283 HydrophobicContact CE2-CD1 3.43Å; F277-L283 VanDerWaalsContact CE2-CD1 3.43Å; F277-L283 HydrophobicContact CE2-CG 4.44Å; F277-L283 HydrophobicContact CG-CB 3.85Å; F277-L283 HydrophobicContact CG-CD1 4.46Å; F277-L283 HydrophobicContact CZ-CD1 3.95Å; S279-L283 PolarHBondContact O-N 2.97Å; L280-L283 HydrophobicContact CD2-CD2 4.05Å; L283-S285 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 2.88Å; L283-F286 PolarHBondContact O-N 3.49Å; L283-L287 HydrophobicContact CD1-CD1 4.03Å; L283-L287 HydrophobicContact CD1-CD2 4.36Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 4.26Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.1Å; L283-L287 PolarHBondContact O-N 3.01Å
284	A	98.8	Very high	97.8	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-41.2	177.4	0	0	0	0	0	112.5	L193 Y196 L197 L280 A281 E282 K288	L193-A284 HydrophobicContact CD1-CB 3.98Å; Y196-A284 VanDerWaalsContact CB-CB 3.48Å; L197-A284 HydrophobicContact CB-CB 3.99Å; L280-A284 VanDerWaalsContact O-CB 3.29Å; L280-A284 WeakPolarHBondContact O-CB 3.48Å; L280-A284 PolarHBondContact O-N 3.34Å; A281-A284 PolarHBondContact O-N 2.85Å; E282-A284 VanDerWaalsContact C-N 3.29Å; E282-A284 PolarHBondContact O-N 3.32Å; A284-K288 WeakPolarHBondContact O-CB 3.49Å; A284-K288 WeakPolarHBondContact O-CE 3.26Å; A284-K288 VanDerWaalsContact O-CG 3.32Å; A284-K288 WeakPolarHBondContact O-CG 2.99Å; A284-K288 PolarHBondContact O-N 3.09Å; A284-K288 VanDerWaalsContact O-N 3.09Å
285	S	98.6	Very high	97.8	Very high	56 Å²	56	61.1 Å²	61.1	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-60.7	-51.3	175.4	-169.6	0	0	0	0	110.6	A281 E282 L283 L287 K288 T289	A281-S285 WeakPolarHBondContact O-CB 3.33Å; A281-S285 PolarHBondContact O-N 3Å; E282-S285 WeakPolarHBondContact O-CA 3.5Å; E282-S285 WeakPolarHBondContact O-CB 3.5Å; E282-S285 PolarHBondContact O-N 3.28Å; L283-S285 VanDerWaalsContact C-N 3.33Å; L283-S285 PolarHBondContact O-N 2.88Å; S285-L287 VanDerWaalsContact C-N 3.33Å; S285-L287 PolarHBondContact O-N 3.02Å; S285-K288 PolarHBondContact O-N 2.71Å; S285-K288 VanDerWaalsContact O-N 3.09Å; S285-T289 WeakPolarHBondContact O-CG2 3.4Å; S285-T289 PolarHBondContact O-N 3.27Å; S285-T289 PolarHBondContact O-OG1 3.09Å
286	F	98.5	Very high	97.8	Very high	56 Å²	56	62.9 Å²	62.9	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-53.6	-46.4	177.6	179.9	-99.4	0	0	0	112.3	I272 F277 E282 L283 M290 H294	I272-F286 HydrophobicContact CD1-CD1 4.5Å; I272-F286 HydrophobicContact CD1-CE1 3.88Å; I272-F286 HydrophobicContact CG1-CE1 4.22Å; I272-F286 HydrophobicContact CG2-CE1 4.4Å; F277-F286 HydrophobicContact CD1-CB 4.37Å; F277-F286 HydrophobicContact CE1-CB 3.5Å; F277-F286 VanDerWaalsContact CE1-CB 3.5Å; F277-F286 AromaticContact CE1-CD1 3.81Å; F277-F286 HydrophobicContact CE1-CD1 3.81Å; F277-F286 AromaticContact CE1-CD2 3.86Å; F277-F286 HydrophobicContact CE1-CD2 3.86Å; F277-F286 HydrophobicContact CE1-CE1 4.44Å; F277-F286 AromaticContact CE1-CG 3.46Å; F277-F286 HydrophobicContact CE1-CG 3.46Å; F277-F286 VanDerWaalsContact CE1-CG 3.46Å; F277-F286 HydrophobicContact CZ-CB 3.99Å; F277-F286 AromaticContact CZ-CD1 3.42Å; F277-F286 HydrophobicContact CZ-CD1 3.42Å; F277-F286 VanDerWaalsContact CZ-CD1 3.42Å; F277-F286 HydrophobicContact CZ-CD2 4.18Å; F277-F286 AromaticContact CZ-CE1 3.81Å; F277-F286 HydrophobicContact CZ-CE1 3.81Å; F277-F286 AromaticContact CZ-CG 3.61Å; F277-F286 HydrophobicContact CZ-CG 3.61Å; F277-F286 HydrophobicContact CZ-CZ 4.36Å; E282-F286 WeakPolarHBondContact O-CB 3.43Å; E282-F286 PolarHBondContact O-N 2.83Å; L283-F286 PolarHBondContact O-N 3.49Å; F286-M290 HydrophobicContact CD1-CE 3.68Å; F286-M290 HydrophobicContact CE1-CE 3.1Å; F286-M290 HydrophobicContact CE2-CE 4.38Å; F286-M290 HydrophobicContact CZ-CE 3.52Å; F286-M290 WeakPolarHBondContact O-CB 3.46Å; F286-M290 PolarHBondContact O-N 2.84Å; F286-M290 VanDerWaalsContact O-N 3.13Å; F286-H294 AromaticContact CE2-CE1 3.77Å; F286-H294 AromaticContact CZ-CE1 3.6Å
287	L	98.6	Very high	97.7	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-39.2	178.4	-63.4	179.4	0	0	0	112.7	V173 L197 F224 V253 I272 L283 S285	V173-L287 HydrophobicContact CG2-CD1 4.29Å; L197-L287 HydrophobicContact CD2-CD1 3.72Å; F224-L287 HydrophobicContact CD1-CD2 3.67Å; F224-L287 HydrophobicContact CD2-CB 4.26Å; F224-L287 HydrophobicContact CD2-CD2 3.88Å; F224-L287 HydrophobicContact CE1-CD2 3.68Å; F224-L287 HydrophobicContact CE2-CB 4.06Å; F224-L287 HydrophobicContact CE2-CD2 3.86Å; F224-L287 WeakPolarHBondContact CE2-O 3.43Å; F224-L287 HydrophobicContact CG-CD2 3.79Å; F224-L287 HydrophobicContact CZ-CD2 3.76Å; V253-L287 HydrophobicContact CG2-CD1 4.17Å; V253-L287 HydrophobicContact CG2-CD2 3.98Å; I272-L287 HydrophobicContact CD1-CD2 3.68Å; L283-L287 HydrophobicContact CD1-CD1 4.03Å; L283-L287 HydrophobicContact CD1-CD2 4.36Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 4.26Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.1Å; L283-L287 PolarHBondContact O-N 3.01Å; S285-L287 VanDerWaalsContact C-N 3.33Å; S285-L287 PolarHBondContact O-N 3.02Å
288	K	98.4	Very high	97.7	Very high	112 Å²	112	63.9 Å²	63.9	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-71.1	-40.3	-179.5	-75.6	179.3	-63.8	-170.7	0	112.7	L172 Y196 L197 A284 S285	L172-K288 HydrophobicContact CD2-CG 3.86Å; Y196-K288 PolarHBondContact O-NZ 2.69Å; L197-K288 HydrophobicContact CD1-CD 4.25Å; L197-K288 HydrophobicContact CD1-CG 3.82Å; A284-K288 WeakPolarHBondContact O-CB 3.49Å; A284-K288 WeakPolarHBondContact O-CE 3.26Å; A284-K288 VanDerWaalsContact O-CG 3.32Å; A284-K288 WeakPolarHBondContact O-CG 2.99Å; A284-K288 PolarHBondContact O-N 3.09Å; A284-K288 VanDerWaalsContact O-N 3.09Å; S285-K288 PolarHBondContact O-N 2.71Å; S285-K288 VanDerWaalsContact O-N 3.09Å
289	T	97.4	Very high	97.7	Very high	101 Å²	101	54.9 Å²	54.9	62%	0.62	29%	0.293	S	S	*	.	H	α-helix	trans	-94.5	-0.6	-172.8	63.1	0	0	0	0	113.3	S285 N291	S285-T289 WeakPolarHBondContact O-CG2 3.4Å; S285-T289 PolarHBondContact O-N 3.27Å; S285-T289 PolarHBondContact O-OG1 3.09Å; T289-N291 PolarHBondContact O-N 3.07Å
290	M	96.2	Very high	97.6	Very high	13 Å²	13	54 Å²	54	6%	0.064	29%	0.289	C	S	.	.			trans	-58.8	114.1	-178.3	-170.9	174.6	-61.1	0	0	112.8	K223 F224 I272 F286 Y295 F298	K223-M290 PolarHBondContact NZ-O 3.44Å; F224-M290 HydrophobicContact CE1-CE 3.76Å; F224-M290 HydrophobicContact CE1-SD 3.79Å; F224-M290 HydrophobicContact CZ-CB 4.26Å; F224-M290 HydrophobicContact CZ-CE 3.64Å; F224-M290 HydrophobicContact CZ-SD 3.52Å; F224-M290 VanDerWaalsContact CZ-SD 3.52Å; I272-M290 HydrophobicContact CD1-CE 3.99Å; F286-M290 HydrophobicContact CD1-CE 3.68Å; F286-M290 HydrophobicContact CE1-CE 3.1Å; F286-M290 HydrophobicContact CE2-CE 4.38Å; F286-M290 HydrophobicContact CZ-CE 3.52Å; F286-M290 WeakPolarHBondContact O-CB 3.46Å; F286-M290 PolarHBondContact O-N 2.84Å; F286-M290 VanDerWaalsContact O-N 3.13Å; M290-Y295 HydrophobicContact SD-CD2 3.83Å; M290-Y295 HydrophobicContact SD-CG 4.39Å; M290-F298 HydrophobicContact CE-CE2 3.8Å; M290-F298 HydrophobicContact CE-CZ 4.29Å; M290-F298 HydrophobicContact SD-CD2 4.19Å; M290-F298 HydrophobicContact SD-CE2 3.67Å
291	N	95.7	Very high	97.6	Very high	93 Å²	93	53 Å²	53	50%	0.497	28%	0.282	S	S	.	.			trans	-67.9	158.9	176.8	76.2	58.2	0	0	0	112.3	T289 S293 H294 Y295	T289-N291 PolarHBondContact O-N 3.07Å; N291-S293 VanDerWaalsContact C-N 3.3Å; N291-S293 PolarHBondContact O-N 3.12Å; N291-S293 WeakPolarHBondContact OD1-CA 3.24Å; N291-S293 WeakPolarHBondContact OD1-CB 3.09Å; N291-S293 PolarHBondContact OD1-N 3.45Å; N291-H294 PolarHBondContact OD1-N 3.45Å; N291-Y295 WeakPolarHBondContact O-CB 3.45Å; N291-Y295 PolarHBondContact O-N 3.01Å
292	S	95.4	Very high	97.5	Very high	73 Å²	73	52.3 Å²	52.3	51%	0.51	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-26.6	-175.5	-60	0	0	0	0	114.2	R296	S292-R296 VanDerWaalsContact O-CG 3.27Å; S292-R296 WeakPolarHBondContact O-CG 3.23Å; S292-R296 PolarHBondContact O-N 3.05Å; S292-R296 PolarHBondContact O-NE 3.14Å
293	S	95.8	Very high	97.3	Very high	78 Å²	78	54.7 Å²	54.7	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-72.1	-53.7	179.4	-174.9	0	0	0	0	110.4	N291 Y295 R296 Q297	N291-S293 VanDerWaalsContact C-N 3.3Å; N291-S293 PolarHBondContact O-N 3.12Å; N291-S293 WeakPolarHBondContact OD1-CA 3.24Å; N291-S293 WeakPolarHBondContact OD1-CB 3.09Å; N291-S293 PolarHBondContact OD1-N 3.45Å; S293-Y295 VanDerWaalsContact C-N 3.33Å; S293-Y295 PolarHBondContact O-N 3.22Å; S293-R296 PolarHBondContact O-N 3.43Å; S293-R296 VanDerWaalsContact O-N 3.17Å; S293-Q297 PolarHBondContact O-N 2.89Å
294	H	96.7	Very high	97.1	Very high	62 Å²	62	61.4 Å²	61.4	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-44	175.9	-174.7	-173.3	0	0	0	111.1	F286 N291 R296 Q297 F298	F286-H294 AromaticContact CE2-CE1 3.77Å; F286-H294 AromaticContact CZ-CE1 3.6Å; N291-H294 PolarHBondContact OD1-N 3.45Å; H294-R296 VanDerWaalsContact C-N 3.27Å; H294-R296 PolarHBondContact O-N 3.12Å; H294-Q297 WeakPolarHBondContact O-CB 3.29Å; H294-Q297 PolarHBondContact O-N 3.42Å; H294-F298 AromaticContact CD2-CE2 3.94Å; H294-F298 AromaticContact NE2-CE2 3.84Å; H294-F298 AromaticContact NE2-CZ 3.97Å
295	Y	98.3	Very high	97	Very high	12 Å²	12	65.1 Å²	65.1	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-55.8	-39.4	177.2	179.9	-106.7	0	0	0	113.5	I166 K169 K223 F224 V251 M290 N291 S293 Q297 F298 F299	I166-Y295 HydrophobicContact CG2-CE1 4.02Å; K169-Y295 VanDerWaalsContact CE-OH 3.28Å; K169-Y295 WeakPolarHBondContact CE-OH 3.48Å; K223-Y295 VanDerWaalsContact CA-OH 3.31Å; K223-Y295 WeakPolarHBondContact CA-OH 3.46Å; K223-Y295 HydrophobicContact CB-CE2 3.79Å; K223-Y295 HydrophobicContact CG-CE2 4.26Å; K223-Y295 WeakPolarHBondContact O-CE2 3.47Å; K223-Y295 PolarHBondContact O-OH 3.09Å; F224-Y295 HydrophobicContact CE1-CD2 4.13Å; F224-Y295 HydrophobicContact CE1-CE2 4.1Å; F224-Y295 HydrophobicContact CZ-CD2 4.08Å; F224-Y295 HydrophobicContact CZ-CE2 4.25Å; V251-Y295 HydrophobicContact CB-CE2 4.32Å; V251-Y295 HydrophobicContact CG2-CD2 4.15Å; V251-Y295 HydrophobicContact CG2-CE2 3.49Å; V251-Y295 VanDerWaalsContact CG2-CE2 3.49Å; M290-Y295 HydrophobicContact SD-CD2 3.83Å; M290-Y295 HydrophobicContact SD-CG 4.39Å; N291-Y295 WeakPolarHBondContact O-CB 3.45Å; N291-Y295 PolarHBondContact O-N 3.01Å; S293-Y295 VanDerWaalsContact C-N 3.33Å; S293-Y295 PolarHBondContact O-N 3.22Å; Y295-Q297 VanDerWaalsContact C-N 3.28Å; Y295-Q297 PolarHBondContact O-N 3.32Å; Y295-F298 PolarHBondContact O-N 2.97Å; Y295-F299 HydrophobicContact CD1-CE2 4.31Å; Y295-F299 AromaticContact CE1-CE2 3.72Å; Y295-F299 HydrophobicContact CE1-CE2 3.72Å; Y295-F299 HydrophobicContact CE1-CZ 4.28Å; Y295-F299 HydrophobicContact CE2-CE2 4.16Å; Y295-F299 AromaticContact CZ-CE2 3.61Å; Y295-F299 AromaticContact CZ-CZ 3.89Å; Y295-F299 WeakPolarHBondContact O-CD2 3.35Å; Y295-F299 WeakPolarHBondContact OH-CZ 3.39Å
296	R	97.4	Very high	96.9	Very high	155 Å²	155	64.2 Å²	64.2	59%	0.585	32%	0.316	S	S	*	.	H	α-helix	trans	-69.5	-25.8	179.4	-73.7	179.3	-129.8	-97.6	7.5	113	I166 S292 S293 H294 F298 F299	I166-R296 HydrophobicContact CD1-CB 4.19Å; I166-R296 HydrophobicContact CD1-CG 3.77Å; S292-R296 VanDerWaalsContact O-CG 3.27Å; S292-R296 WeakPolarHBondContact O-CG 3.23Å; S292-R296 PolarHBondContact O-N 3.05Å; S292-R296 PolarHBondContact O-NE 3.14Å; S293-R296 PolarHBondContact O-N 3.43Å; S293-R296 VanDerWaalsContact O-N 3.17Å; H294-R296 VanDerWaalsContact C-N 3.27Å; H294-R296 PolarHBondContact O-N 3.12Å; R296-F298 PolarHBondContact O-N 3Å; R296-F299 PolarHBondContact O-N 3.16Å; R296-F299 VanDerWaalsContact O-N 3.14Å
297	Q	97.3	Very high	96.9	Very high	109 Å²	109	62.9 Å²	62.9	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-31.5	179.6	-65.5	172.3	-0.3	0	0	111.4	S293 H294 Y295 F299 A300	S293-Q297 PolarHBondContact O-N 2.89Å; H294-Q297 WeakPolarHBondContact O-CB 3.29Å; H294-Q297 PolarHBondContact O-N 3.42Å; Y295-Q297 VanDerWaalsContact C-N 3.28Å; Y295-Q297 PolarHBondContact O-N 3.32Å; Q297-F299 PolarHBondContact O-N 3.34Å; Q297-A300 VanDerWaalsContact O-CB 3.29Å; Q297-A300 WeakPolarHBondContact O-CB 3.26Å; Q297-A300 PolarHBondContact O-N 3.4Å
298	F	98.4	Very high	96.8	Very high	15 Å²	15	66.2 Å²	66.2	7%	0.066	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.7	175.4	-70.1	-78.9	0	0	0	115.6	V251 D269 I272 M290 H294 Y295 R296 W301	V251-F298 HydrophobicContact CB-CB 4.41Å; V251-F298 HydrophobicContact CB-CG 4.5Å; V251-F298 HydrophobicContact CG1-CB 4Å; V251-F298 HydrophobicContact CG1-CD1 3.66Å; V251-F298 HydrophobicContact CG1-CD2 4.19Å; V251-F298 HydrophobicContact CG1-CE1 4.18Å; V251-F298 HydrophobicContact CG1-CG 3.68Å; V251-F298 HydrophobicContact CG2-CB 3.51Å; V251-F298 HydrophobicContact CG2-CD2 4.27Å; V251-F298 HydrophobicContact CG2-CG 3.94Å; D269-F298 VanDerWaalsContact O-CA 3.24Å; D269-F298 WeakPolarHBondContact O-CA 3.15Å; D269-F298 WeakPolarHBondContact O-CD1 3.34Å; I272-F298 HydrophobicContact CD1-CE1 4.3Å; I272-F298 HydrophobicContact CD1-CE2 4.45Å; I272-F298 HydrophobicContact CD1-CZ 3.96Å; I272-F298 HydrophobicContact CG1-CE1 3.61Å; I272-F298 HydrophobicContact CG1-CZ 3.63Å; M290-F298 HydrophobicContact CE-CE2 3.8Å; M290-F298 HydrophobicContact CE-CZ 4.29Å; M290-F298 HydrophobicContact SD-CD2 4.19Å; M290-F298 HydrophobicContact SD-CE2 3.67Å; H294-F298 AromaticContact CD2-CE2 3.94Å; H294-F298 AromaticContact NE2-CE2 3.84Å; H294-F298 AromaticContact NE2-CZ 3.97Å; Y295-F298 PolarHBondContact O-N 2.97Å; R296-F298 PolarHBondContact O-N 3Å; F298-W301 PolarHBondContact O-NE1 2.82Å; F298-W301 VanDerWaalsContact O-NE1 3.16Å
299	F	98.1	Very high	96.8	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.018	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	3.9	180	-59.9	-90.4	0	0	0	113.1	V164 I166 G249 V251 Y295 R296 Q297 W301 Q302	V164-F299 HydrophobicContact CG1-CB 3.73Å; I166-F299 HydrophobicContact CD1-CB 4.1Å; I166-F299 HydrophobicContact CD1-CD2 3.51Å; I166-F299 HydrophobicContact CD1-CE2 4.06Å; I166-F299 HydrophobicContact CD1-CG 3.82Å; I166-F299 HydrophobicContact CG1-CB 4.13Å; I166-F299 HydrophobicContact CG1-CD1 4Å; I166-F299 HydrophobicContact CG1-CD2 3.78Å; I166-F299 HydrophobicContact CG1-CE1 4.36Å; I166-F299 HydrophobicContact CG1-CE2 4.16Å; I166-F299 HydrophobicContact CG1-CG 3.69Å; I166-F299 HydrophobicContact CG1-CZ 4.43Å; I166-F299 HydrophobicContact CG2-CE2 4.27Å; I166-F299 HydrophobicContact CG2-CZ 4.28Å; G249-F299 WeakPolarHBondContact O-CE1 3.4Å; V251-F299 HydrophobicContact CG2-CD2 4.49Å; V251-F299 HydrophobicContact CG2-CE2 3.57Å; V251-F299 HydrophobicContact CG2-CZ 3.63Å; Y295-F299 HydrophobicContact CD1-CE2 4.31Å; Y295-F299 AromaticContact CE1-CE2 3.72Å; Y295-F299 HydrophobicContact CE1-CE2 3.72Å; Y295-F299 HydrophobicContact CE1-CZ 4.28Å; Y295-F299 HydrophobicContact CE2-CE2 4.16Å; Y295-F299 AromaticContact CZ-CE2 3.61Å; Y295-F299 AromaticContact CZ-CZ 3.89Å; Y295-F299 WeakPolarHBondContact O-CD2 3.35Å; Y295-F299 WeakPolarHBondContact OH-CZ 3.39Å; R296-F299 PolarHBondContact O-N 3.16Å; R296-F299 VanDerWaalsContact O-N 3.14Å; Q297-F299 PolarHBondContact O-N 3.34Å; F299-W301 PolarHBondContact O-N 3Å; F299-Q302 WeakPolarHBondContact O-CB 3.34Å; F299-Q302 PolarHBondContact O-N 2.88Å
300	A	96.6	Very high	96.7	Very high	37 Å²	37	59.2 Å²	59.2	31%	0.306	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-57.9	-32.4	-178.3	0	0	0	0	0	112.9	Q297 Q302 K303	Q297-A300 VanDerWaalsContact O-CB 3.29Å; Q297-A300 WeakPolarHBondContact O-CB 3.26Å; Q297-A300 PolarHBondContact O-N 3.4Å; A300-Q302 PolarHBondContact O-N 3.32Å; A300-K303 WeakPolarHBondContact O-CB 3.49Å; A300-K303 WeakPolarHBondContact O-CG 3.39Å; A300-K303 PolarHBondContact O-N 3.47Å; A300-K303 VanDerWaalsContact O-N 3.12Å
301	W	96.9	Very high	96.5	Very high	18 Å²	18	64.2 Å²	64.2	7%	0.068	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-57.2	-28.1	176.2	68	-94.1	0	0	0	113.6	L156 L246 P267 S270 F298 F299 K303 R304 Y305 V307	L156-W301 HydrophobicContact CD1-CE3 4.48Å; L156-W301 HydrophobicContact CD2-CE3 3.83Å; L156-W301 HydrophobicContact CD2-CH2 4.49Å; L156-W301 HydrophobicContact CD2-CZ3 3.71Å; L246-W301 HydrophobicContact CB-CH2 4.13Å; L246-W301 HydrophobicContact CB-CZ2 3.93Å; L246-W301 HydrophobicContact CD2-CZ2 3.79Å; L246-W301 HydrophobicContact CG-CZ2 4.35Å; P267-W301 HydrophobicContact CG-CB 3.85Å; S270-W301 VanDerWaalsContact CB-CD1 3.43Å; F298-W301 PolarHBondContact O-NE1 2.82Å; F298-W301 VanDerWaalsContact O-NE1 3.16Å; F299-W301 PolarHBondContact O-N 3Å; W301-K303 PolarHBondContact O-N 2.89Å; W301-K303 VanDerWaalsContact O-N 3.16Å; W301-R304 PolarHBondContact O-N 3.24Å; W301-R304 VanDerWaalsContact O-N 3.11Å; W301-Y305 WeakPolarHBondContact O-CD2 3.48Å; W301-Y305 PolarHBondContact O-N 3.3Å; W301-V307 HydrophobicContact CH2-CG2 3.84Å; W301-V307 HydrophobicContact CZ3-CG2 4.17Å
302	Q	96.5	Very high	96.3	Very high	21 Å²	21	61.6 Å²	61.6	10%	0.098	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-64.9	-18.8	179.6	-66	-175.4	-8.1	0	0	112.9	A162 V164 N165 F299 A300 R304	A162-Q302 WeakPolarHBondContact CB-O 3.29Å; V164-Q302 HydrophobicContact CG2-CB 4.27Å; N165-Q302 PolarHBondContact O-OE1 3.27Å; F299-Q302 WeakPolarHBondContact O-CB 3.34Å; F299-Q302 PolarHBondContact O-N 2.88Å; A300-Q302 PolarHBondContact O-N 3.32Å; Q302-R304 PolarHBondContact O-N 2.89Å
303	K	95	Very high	96.2	Very high	133 Å²	133	59.9 Å²	59.9	58%	0.578	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.1	175.2	-63	179.4	-179.7	179.9	0	113.5	V164 A300 W301	V164-K303 HydrophobicContact CG2-CD 4.44Å; V164-K303 HydrophobicContact CG2-CG 3.58Å; A300-K303 WeakPolarHBondContact O-CB 3.49Å; A300-K303 WeakPolarHBondContact O-CG 3.39Å; A300-K303 PolarHBondContact O-N 3.47Å; A300-K303 VanDerWaalsContact O-N 3.12Å; W301-K303 PolarHBondContact O-N 2.89Å; W301-K303 VanDerWaalsContact O-N 3.16Å
304	R	95	Very high	96.1	Very high	141 Å²	141	59.7 Å²	59.7	53%	0.532	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-16.3	-173.5	-57.7	-172	-175	172.2	1.5	113.1	P158 N159 W160 W301 Q302	P158-R304 CarbonylContact C-O 3.55Å; P158-R304 WeakPolarHBondContact CA-O 3.18Å; N159-R304 PolarHBondContact N-O 2.93Å; N159-R304 CarbonylContact O-C 3.59Å; N159-R304 VanDerWaalsContact O-C 3.3Å; W160-R304 HydrophobicContact CE3-CB 4.43Å; W160-R304 HydrophobicContact CE3-CG 4.19Å; W160-R304 HydrophobicContact CH2-CB 4.48Å; W160-R304 HydrophobicContact CH2-CG 4.27Å; W160-R304 HydrophobicContact CZ3-CB 4.1Å; W160-R304 HydrophobicContact CZ3-CG 3.64Å; W301-R304 PolarHBondContact O-N 3.24Å; W301-R304 VanDerWaalsContact O-N 3.11Å; Q302-R304 PolarHBondContact O-N 2.89Å
305	Y	97	Very high	96	Very high	78 Å²	78	58.2 Å²	58.2	31%	0.306	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.7	-169.7	-54.4	-73.9	0	0	0	113.3	L156 V157 W301	L156-Y305 HydrophobicContact CB-CD1 4.12Å; L156-Y305 HydrophobicContact CB-CG 4.07Å; L156-Y305 HydrophobicContact CD1-CD2 4.25Å; L156-Y305 HydrophobicContact CD1-CG 4.25Å; V157-Y305 CarbonylContact O-C 3.42Å; V157-Y305 WeakPolarHBondContact O-CA 3.32Å; W301-Y305 WeakPolarHBondContact O-CD2 3.48Å; W301-Y305 PolarHBondContact O-N 3.3Å
306	S	96.8	Very high	95.9	Very high	38 Å²	38	57.9 Å²	57.9	27%	0.266	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.4	164.7	-67	0	0	0	0	110.3	L156 V157 N159	L156-S306 WeakPolarHBondContact CA-O 3.42Å; V157-S306 WeakPolarHBondContact CG2-O 3.47Å; V157-S306 PolarHBondContact N-O 3.14Å; V157-S306 PolarHBondContact O-N 3.38Å; N159-S306 WeakPolarHBondContact CB-OG 3.48Å; N159-S306 PolarHBondContact ND2-OG 2.97Å
307	V	97.3	Very high	95.8	Very high	27 Å²	27	50.6 Å²	50.6	16%	0.164	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	123	175.6	176.8	0	0	0	0	109.2	L156 W242 L246 M247 W301 L309	L156-V307 HydrophobicContact CD2-CG2 4.05Å; W242-V307 HydrophobicContact CB-CG1 4.34Å; W242-V307 HydrophobicContact CE3-CG1 4.26Å; L246-V307 HydrophobicContact CB-CG2 3.73Å; L246-V307 HydrophobicContact CD1-CG2 4.44Å; M247-V307 HydrophobicContact CB-CG1 4.48Å; W301-V307 HydrophobicContact CH2-CG2 3.84Å; W301-V307 HydrophobicContact CZ3-CG2 4.17Å; V307-L309 HydrophobicContact CG1-CD2 3.72Å; V307-L309 HydrophobicContact CG1-CG 4.21Å
308	K	97.1	Very high	95.7	Very high	71 Å²	71	45.4 Å²	45.4	31%	0.309	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.5	162.3	179.6	179.1	174.7	-177	0	108.7	G154 K155 V157 E315	G154-K308 CarbonylContact C-O 3.57Å; G154-K308 WeakPolarHBondContact CA-O 3.41Å; K155-K308 HydrophobicContact CG-CB 4.21Å; K155-K308 PolarHBondContact N-O 3.13Å; K155-K308 PolarHBondContact O-N 2.93Å; V157-K308 HydrophobicContact CG1-CB 3.78Å; V157-K308 HydrophobicContact CG1-CD 4.27Å; V157-K308 HydrophobicContact CG2-CB 4.17Å; K308-E315 VanDerWaalsContact CE-OE1 3.23Å; K308-E315 WeakPolarHBondContact CE-OE1 3.19Å; K308-E315 IonicContact NZ-OE1 3.62Å; K308-E315 PolarHBondContact NZ-OE1 2.91Å
309	L	97.4	Very high	95.6	Very high	33 Å²	33	46 Å²	46	17%	0.173	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	150.9	173	-60.5	-179.3	0	0	0	110.9	W242 R243 M247 V307 T311	W242-L309 HydrophobicContact CB-CD2 3.55Å; R243-L309 HydrophobicContact CB-CD1 3.84Å; R243-L309 HydrophobicContact CB-CD2 4.14Å; R243-L309 HydrophobicContact CG-CD1 3.84Å; M247-L309 HydrophobicContact SD-CD1 3.5Å; M247-L309 WeakPolarHBondContact SD-CD1 3.44Å; M247-L309 HydrophobicContact SD-CG 4.08Å; V307-L309 HydrophobicContact CG1-CD2 3.72Å; V307-L309 HydrophobicContact CG1-CG 4.21Å; L309-T311 HydrophobicContact CB-CG2 4.13Å; L309-T311 HydrophobicContact CD1-CG2 4.44Å
310	Y	94.9	Very high	95.6	Very high	33 Å²	33	45.8 Å²	45.8	13%	0.129	22%	0.219	C	C	.	.			trans	-111.7	79.6	171.1	-71.7	-86.1	0	0	0	109.1	P152 Y153 K155 E315 R316	P152-Y310 HydrophobicContact CG-CD2 4.05Å; P152-Y310 HydrophobicContact CG-CE2 3.94Å; P152-Y310 WeakPolarHBondContact O-CB 3.47Å; Y153-Y310 PolarHBondContact O-N 3.09Å; K155-Y310 HydrophobicContact CD-CE2 3.94Å; K155-Y310 WeakPolarHBondContact CE-OH 3.42Å; K155-Y310 HydrophobicContact CG-CE2 3.97Å; K155-Y310 PolarHBondContact NZ-OH 2.98Å; Y310-E315 HydrophobicContact CD1-CG 4.3Å; Y310-E315 HydrophobicContact CE1-CG 4.39Å; Y310-E315 WeakPolarHBondContact CE1-OE1 3.38Å; Y310-R316 VanDerWaalsContact CB-NH2 3.29Å; Y310-R316 VanDerWaalsContact O-CZ 3.24Å; Y310-R316 PolarHBondContact O-NE 3.37Å; Y310-R316 VanDerWaalsContact O-NE 3.15Å; Y310-R316 PolarHBondContact O-NH2 3.11Å
311	T	91.9	Very high	95.5	Very high	117 Å²	117	44.6 Å²	44.6	72%	0.718	21%	0.209	S	C	*	.			trans	-95.3	-15.1	-178.1	51.4	0	0	0	0	113.6	L309	L309-T311 HydrophobicContact CB-CG2 4.13Å; L309-T311 HydrophobicContact CD1-CG2 4.44Å
312	D	92.3	Very high	95.4	Very high	39 Å²	39	47.4 Å²	47.4	21%	0.209	23%	0.228	C	C	.	.			trans	-98.8	123.1	-177	-160.9	-27.7	0	0	0	110.9	Y72 R314 E315 R316	Y72-D312 PolarHBondContact OH-OD2 2.98Å; D312-R314 PolarHBondContact O-N 3.32Å; D312-R314 VanDerWaalsContact OD1-CB 3.32Å; D312-R314 WeakPolarHBondContact OD1-CB 3.35Å; D312-R314 WeakPolarHBondContact OD1-CG 3.41Å; D312-R314 IonicContact OD1-CZ 3.37Å; D312-R314 PolarHBondContact OD1-N 3.06Å; D312-R314 IonicContact OD1-NE 3.43Å; D312-R314 PolarHBondContact OD1-NE 3.22Å; D312-R314 IonicContact OD1-NH2 3.97Å; D312-R314 IonicContact OD2-CZ 3.85Å; D312-R314 VanDerWaalsContact OD2-CZ 3.24Å; D312-R314 IonicContact OD2-NE 3.52Å; D312-R314 PolarHBondContact OD2-NE 2.99Å; D312-R314 IonicContact OD2-NH2 3.8Å; D312-R314 PolarHBondContact OD2-NH2 3.32Å; D312-E315 HydrophobicContact CB-CB 4.39Å; D312-E315 PolarHBondContact O-N 3.09Å; D312-R316 PolarHBondContact O-N 3.44Å
313	W	93.3	Very high	95.3	Very high	36 Å²	36	50.8 Å²	50.8	14%	0.136	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-25.8	175.3	-85	116.3	0	0	0	112.8	W55 P56 H95 V119 L121 I151 R316 I317	W55-W313 HydrophobicContact CH2-CB 4.17Å; W55-W313 HydrophobicContact CZ2-CB 3.4Å; W55-W313 VanDerWaalsContact CZ2-CB 3.4Å; P56-W313 HydrophobicContact CB-CD2 3.87Å; P56-W313 HydrophobicContact CB-CE3 4.31Å; P56-W313 HydrophobicContact CB-CG 4.3Å; P56-W313 HydrophobicContact CB-CH2 4.16Å; P56-W313 HydrophobicContact CB-CZ2 3.69Å; P56-W313 HydrophobicContact CB-CZ3 4.45Å; P56-W313 HydrophobicContact CG-CB 3.99Å; P56-W313 HydrophobicContact CG-CD2 3.2Å; P56-W313 VanDerWaalsContact CG-CE2 3.44Å; P56-W313 HydrophobicContact CG-CE3 3.54Å; P56-W313 HydrophobicContact CG-CG 3.43Å; P56-W313 VanDerWaalsContact CG-CG 3.43Å; P56-W313 HydrophobicContact CG-CH2 4.25Å; P56-W313 HydrophobicContact CG-CZ2 3.97Å; P56-W313 HydrophobicContact CG-CZ3 4.06Å; P56-W313 PolarHBondContact O-NE1 2.6Å; H95-W313 AromaticContact CD2-CH2 3.84Å; H95-W313 AromaticContact NE2-CH2 3.93Å; H95-W313 AromaticContact NE2-CZ2 3.77Å; V119-W313 HydrophobicContact CG2-CH2 4.09Å; V119-W313 HydrophobicContact CG2-CZ3 3.78Å; L121-W313 HydrophobicContact CD1-CH2 3.78Å; L121-W313 HydrophobicContact CD1-CZ2 3.71Å; L121-W313 HydrophobicContact CG-CH2 3.86Å; L121-W313 HydrophobicContact CG-CZ2 4.17Å; I151-W313 HydrophobicContact CD1-CZ3 4.21Å; W313-R316 HydrophobicContact CE3-CB 3.96Å; W313-R316 HydrophobicContact CE3-CG 4.41Å; W313-R316 HydrophobicContact CZ3-CB 4.43Å; W313-R316 PolarHBondContact O-N 2.87Å; W313-I317 VanDerWaalsContact O-CG1 3.32Å; W313-I317 WeakPolarHBondContact O-CG1 3.45Å; W313-I317 PolarHBondContact O-N 3.17Å
314	R	94	Very high	95.3	Very high	75 Å²	75	45.8 Å²	45.8	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-48.1	174.5	-63.6	170.8	-73.6	-170.8	2	111	W55 P61 I67 Y72 D312 R316 I317 C318	W55-R314 HydrophobicContact CH2-CB 4.31Å; W55-R314 HydrophobicContact CH2-CG 3.64Å; W55-R314 HydrophobicContact CZ2-CG 3.68Å; P61-R314 HydrophobicContact CB-CG 4.2Å; P61-R314 HydrophobicContact CG-CG 4.05Å; I67-R314 HydrophobicContact CD1-CB 3.99Å; I67-R314 HydrophobicContact CD1-CG 3.85Å; Y72-R314 HydrophobicContact CE2-CB 3.71Å; Y72-R314 WeakPolarHBondContact OH-CB 3.33Å; D312-R314 PolarHBondContact O-N 3.32Å; D312-R314 VanDerWaalsContact OD1-CB 3.32Å; D312-R314 WeakPolarHBondContact OD1-CB 3.35Å; D312-R314 WeakPolarHBondContact OD1-CG 3.41Å; D312-R314 IonicContact OD1-CZ 3.37Å; D312-R314 PolarHBondContact OD1-N 3.06Å; D312-R314 IonicContact OD1-NE 3.43Å; D312-R314 PolarHBondContact OD1-NE 3.22Å; D312-R314 IonicContact OD1-NH2 3.97Å; D312-R314 IonicContact OD2-CZ 3.85Å; D312-R314 VanDerWaalsContact OD2-CZ 3.24Å; D312-R314 IonicContact OD2-NE 3.52Å; D312-R314 PolarHBondContact OD2-NE 2.99Å; D312-R314 IonicContact OD2-NH2 3.8Å; D312-R314 PolarHBondContact OD2-NH2 3.32Å; R314-R316 VanDerWaalsContact C-N 3.27Å; R314-R316 PolarHBondContact O-N 3.41Å; R314-I317 PolarHBondContact O-N 2.92Å; R314-C318 WeakPolarHBondContact O-CB 3.35Å; R314-C318 PolarHBondContact O-N 3.18Å; R314-C318 PolarHBondContact O-SG 3.38Å
315	E	94.5	Very high	95.2	Very high	30 Å²	30	44 Å²	44	14%	0.14	23%	0.227	C	C	.	.	H	α-helix	trans	-57.4	-42.9	175.9	-168.4	-179.2	-176	0	0	111.6	Y72 K308 Y310 D312 C318 T319	Y72-E315 HydrophobicContact CD1-CB 4Å; Y72-E315 HydrophobicContact CD1-CG 3.82Å; Y72-E315 HydrophobicContact CE1-CB 3.5Å; Y72-E315 VanDerWaalsContact CE1-CB 3.5Å; Y72-E315 HydrophobicContact CE1-CG 3.79Å; Y72-E315 HydrophobicContact CE2-CB 4.12Å; Y72-E315 VanDerWaalsContact CE2-N 3.34Å; Y72-E315 HydrophobicContact CG-CG 4.38Å; Y72-E315 PolarHBondContact OH-N 3.35Å; K308-E315 VanDerWaalsContact CE-OE1 3.23Å; K308-E315 WeakPolarHBondContact CE-OE1 3.19Å; K308-E315 IonicContact NZ-OE1 3.62Å; K308-E315 PolarHBondContact NZ-OE1 2.91Å; Y310-E315 HydrophobicContact CD1-CG 4.3Å; Y310-E315 HydrophobicContact CE1-CG 4.39Å; Y310-E315 WeakPolarHBondContact CE1-OE1 3.38Å; D312-E315 HydrophobicContact CB-CB 4.39Å; D312-E315 PolarHBondContact O-N 3.09Å; E315-C318 PolarHBondContact O-N 2.99Å; E315-T319 PolarHBondContact O-N 2.96Å; E315-T319 PolarHBondContact O-OG1 3.46Å; E315-T319 VanDerWaalsContact O-OG1 3.05Å
316	R	95.6	Very high	95.1	Very high	6 Å²	6	44.5 Å²	44.5	2%	0.023	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-53.5	178.5	-65.9	172.8	177.4	-79.8	3.5	110.4	M141 I151 P152 Y310 D312 W313 R314 C318 T319	M141-R316 HydrophobicContact CE-CB 4.03Å; M141-R316 WeakPolarHBondContact CE-O 3.24Å; I151-R316 VanDerWaalsContact C-NH1 3.33Å; I151-R316 HydrophobicContact CG2-CB 4.38Å; I151-R316 PolarHBondContact O-NH1 2.74Å; P152-R316 VanDerWaalsContact O-CZ 3.32Å; P152-R316 PolarHBondContact O-NH1 2.77Å; P152-R316 PolarHBondContact O-NH2 3.43Å; Y310-R316 VanDerWaalsContact CB-NH2 3.29Å; Y310-R316 VanDerWaalsContact O-CZ 3.24Å; Y310-R316 PolarHBondContact O-NE 3.37Å; Y310-R316 VanDerWaalsContact O-NE 3.15Å; Y310-R316 PolarHBondContact O-NH2 3.11Å; D312-R316 PolarHBondContact O-N 3.44Å; W313-R316 HydrophobicContact CE3-CB 3.96Å; W313-R316 HydrophobicContact CE3-CG 4.41Å; W313-R316 HydrophobicContact CZ3-CB 4.43Å; W313-R316 PolarHBondContact O-N 2.87Å; R314-R316 VanDerWaalsContact C-N 3.27Å; R314-R316 PolarHBondContact O-N 3.41Å; R316-C318 VanDerWaalsContact C-N 3.32Å; R316-C318 PolarHBondContact O-N 2.92Å; R316-T319 WeakPolarHBondContact O-CB 3.34Å; R316-T319 PolarHBondContact O-N 2.75Å; R316-T319 PolarHBondContact O-OG1 2.87Å
317	I	96.2	Very high	95	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-41.2	179.3	-65.3	-58.6	0	0	0	111.4	I50 V52 W55 V79 V93 W313 R314 T319 I320	I50-I317 HydrophobicContact CG2-CG2 4.16Å; V52-I317 HydrophobicContact CG2-CD1 4.2Å; V52-I317 HydrophobicContact CG2-CG1 4.24Å; V52-I317 HydrophobicContact CG2-CG2 3.88Å; W55-I317 HydrophobicContact CH2-CG1 4.19Å; W55-I317 HydrophobicContact CZ3-CG1 4.14Å; V79-I317 HydrophobicContact CG1-CG2 4.13Å; V79-I317 HydrophobicContact CG2-CG2 3.9Å; V93-I317 HydrophobicContact CG1-CD1 3.9Å; W313-I317 VanDerWaalsContact O-CG1 3.32Å; W313-I317 WeakPolarHBondContact O-CG1 3.45Å; W313-I317 PolarHBondContact O-N 3.17Å; R314-I317 PolarHBondContact O-N 2.92Å; I317-T319 PolarHBondContact O-N 3.04Å; I317-T319 VanDerWaalsContact O-N 3.11Å; I317-I320 HydrophobicContact CD1-CD1 4.28Å; I317-I320 HydrophobicContact CG2-CD1 4.17Å; I317-I320 WeakPolarHBondContact O-CB 3.13Å; I317-I320 WeakPolarHBondContact O-CD1 3.32Å; I317-I320 WeakPolarHBondContact O-CG1 3.3Å; I317-I320 PolarHBondContact O-N 3.26Å
318	C	95.7	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-18.7	176.1	-64.9	0	0	0	0	113.5	C68 Y72 I74 R314 E315 R316 I320 C321	C68-C318 WeakPolarHBondContact CA-SG 3.46Å; C68-C318 HydrophobicContact CB-CB 3.76Å; C68-C318 WeakPolarHBondContact CB-SG 3.4Å; C68-C318 VanDerWaalsContact SG-CA 3.5Å; C68-C318 WeakPolarHBondContact SG-CB 3.46Å; C68-C318 CovalentContact SG-SG 2.04Å; C68-C318 PolarHBondContact SG-SG 3.09Å; Y72-C318 HydrophobicContact CD2-CB 4.32Å; I74-C318 HydrophobicContact CD1-CB 3.85Å; R314-C318 WeakPolarHBondContact O-CB 3.35Å; R314-C318 PolarHBondContact O-N 3.18Å; R314-C318 PolarHBondContact O-SG 3.38Å; E315-C318 PolarHBondContact O-N 2.99Å; R316-C318 VanDerWaalsContact C-N 3.32Å; R316-C318 PolarHBondContact O-N 2.92Å; C318-I320 PolarHBondContact O-N 2.95Å; C318-C321 WeakPolarHBondContact O-CB 3.34Å; C318-C321 PolarHBondContact O-N 3.49Å; C318-C321 VanDerWaalsContact O-N 3.17Å; C318-C321 PolarHBondContact O-SG 3.33Å; C318-C321 VanDerWaalsContact O-SG 3.38Å
319	T	95.7	Very high	94.3	Very high	27 Å²	27	46.3 Å²	46.3	17%	0.166	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-28.9	172.4	-54.9	0	0	0	0	111.6	I149 E315 R316 I317 C321 T322 K323	I149-T319 HydrophobicContact CG2-CG2 3.87Å; E315-T319 PolarHBondContact O-N 2.96Å; E315-T319 PolarHBondContact O-OG1 3.46Å; E315-T319 VanDerWaalsContact O-OG1 3.05Å; R316-T319 WeakPolarHBondContact O-CB 3.34Å; R316-T319 PolarHBondContact O-N 2.75Å; R316-T319 PolarHBondContact O-OG1 2.87Å; I317-T319 PolarHBondContact O-N 3.04Å; I317-T319 VanDerWaalsContact O-N 3.11Å; T319-C321 PolarHBondContact O-N 3.25Å; T319-T322 PolarHBondContact O-N 3.22Å; T319-T322 VanDerWaalsContact O-N 3.16Å; T319-T322 PolarHBondContact O-OG1 3.23Å; T319-K323 HydrophobicContact CG2-CG 4.18Å; T319-K323 PolarHBondContact O-N 2.84Å; T319-K323 VanDerWaalsContact O-N 3.11Å
320	I	97	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-43.9	174.8	-60.1	165.5	0	0	0	110.3	I50 V91 V93 L117 M141 I149 I317 C318 T322 K323 Y324	I50-I320 HydrophobicContact CD1-CB 3.85Å; I50-I320 HydrophobicContact CD1-CG2 3.81Å; I50-I320 HydrophobicContact CG1-CG2 4.29Å; I50-I320 HydrophobicContact CG2-CD1 4.07Å; V91-I320 HydrophobicContact CG1-CG2 4.42Å; V93-I320 HydrophobicContact CG2-CD1 3.54Å; L117-I320 HydrophobicContact CD2-CD1 3.44Å; L117-I320 VanDerWaalsContact CD2-CD1 3.44Å; L117-I320 HydrophobicContact CD2-CG1 3.72Å; M141-I320 HydrophobicContact CE-CG1 4.36Å; M141-I320 HydrophobicContact SD-CD1 4.21Å; M141-I320 HydrophobicContact SD-CG1 4.02Å; I149-I320 HydrophobicContact CD1-CB 4.2Å; I149-I320 HydrophobicContact CD1-CG1 3.75Å; I149-I320 HydrophobicContact CD1-CG2 4.33Å; I317-I320 HydrophobicContact CD1-CD1 4.28Å; I317-I320 HydrophobicContact CG2-CD1 4.17Å; I317-I320 WeakPolarHBondContact O-CB 3.13Å; I317-I320 WeakPolarHBondContact O-CD1 3.32Å; I317-I320 WeakPolarHBondContact O-CG1 3.3Å; I317-I320 PolarHBondContact O-N 3.26Å; C318-I320 PolarHBondContact O-N 2.95Å; I320-T322 VanDerWaalsContact C-N 3.26Å; I320-T322 PolarHBondContact O-N 3.09Å; I320-K323 PolarHBondContact O-N 3.12Å; I320-Y324 WeakPolarHBondContact O-CB 3.2Å; I320-Y324 PolarHBondContact O-N 2.97Å
321	C	95.2	Very high	93.5	Very high	13 Å²	13	51.5 Å²	51.5	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-40.4	-178.7	-44.7	0	0	0	0	112.2	I50 I74 C77 C318 T319	I50-C321 WeakPolarHBondContact CD1-SG 3.14Å; I74-C321 HydrophobicContact CG2-CB 3.71Å; C77-C321 HydrophobicContact CB-CB 3.53Å; C77-C321 WeakPolarHBondContact CB-SG 3.48Å; C77-C321 WeakPolarHBondContact SG-CB 3.46Å; C77-C321 CovalentContact SG-SG 1.99Å; C77-C321 PolarHBondContact SG-SG 3.22Å; C318-C321 WeakPolarHBondContact O-CB 3.34Å; C318-C321 PolarHBondContact O-N 3.49Å; C318-C321 VanDerWaalsContact O-N 3.17Å; C318-C321 PolarHBondContact O-SG 3.33Å; C318-C321 VanDerWaalsContact O-SG 3.38Å; T319-C321 PolarHBondContact O-N 3.25Å
322	T	94.7	Very high	93.5	Very high	77 Å²	77	48.8 Å²	48.8	47%	0.472	27%	0.272	S	S	.	.	H	α-helix	trans	-74.9	-28.6	179.2	65.5	0	0	0	0	113	I74 T319 I320	I74-T322 HydrophobicContact CD1-CG2 4.18Å; I74-T322 HydrophobicContact CG1-CG2 4.16Å; I74-T322 HydrophobicContact CG2-CG2 3.73Å; T319-T322 PolarHBondContact O-N 3.22Å; T319-T322 VanDerWaalsContact O-N 3.16Å; T319-T322 PolarHBondContact O-OG1 3.23Å; I320-T322 VanDerWaalsContact C-N 3.26Å; I320-T322 PolarHBondContact O-N 3.09Å
323	K	95.8	Very high	93.6	Very high	91 Å²	91	47.3 Å²	47.3	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-91.1	-30.9	-176.6	-69.5	-60.7	-173.9	178.7	0	113.4	I149 T319 I320 P325 S326 L327	I149-K323 HydrophobicContact CD1-CB 4.39Å; I149-K323 HydrophobicContact CG1-CB 4.01Å; I149-K323 HydrophobicContact CG1-CG 4.32Å; I149-K323 HydrophobicContact CG2-CG 4.32Å; T319-K323 HydrophobicContact CG2-CG 4.18Å; T319-K323 PolarHBondContact O-N 2.84Å; T319-K323 VanDerWaalsContact O-N 3.11Å; I320-K323 PolarHBondContact O-N 3.12Å; K323-P325 VanDerWaalsContact C-CD 3.4Å; K323-P325 VanDerWaalsContact C-N 3.34Å; K323-P325 VanDerWaalsContact O-N 3.14Å; K323-S326 PolarHBondContact O-N 3.08Å; K323-S326 PolarHBondContact O-OG 3.4Å; K323-L327 PolarHBondContact O-N 3.47Å
324	Y	94.8	Very high	93.5	Very high	29 Å²	29	49.9 Å²	49.9	11%	0.114	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-45.9	-46.6	-173.3	-178.9	-91.1	0	0	0	114.5	L48 V91 W139 I320 S326 L327	L48-Y324 HydrophobicContact CD1-CD1 3.8Å; L48-Y324 HydrophobicContact CD1-CD2 3.73Å; L48-Y324 HydrophobicContact CD1-CE1 3.59Å; L48-Y324 HydrophobicContact CD1-CE2 3.49Å; L48-Y324 VanDerWaalsContact CD1-CE2 3.49Å; L48-Y324 HydrophobicContact CD1-CG 3.86Å; L48-Y324 VanDerWaalsContact CD1-CZ 3.42Å; L48-Y324 HydrophobicContact CD2-CD1 4.1Å; L48-Y324 HydrophobicContact CD2-CD2 3.78Å; L48-Y324 HydrophobicContact CD2-CE2 4.41Å; L48-Y324 HydrophobicContact CD2-CG 3.59Å; L48-Y324 HydrophobicContact CG-CD2 4.42Å; L48-Y324 HydrophobicContact CG-CG 4.39Å; V91-Y324 HydrophobicContact CG2-CD2 3.7Å; V91-Y324 HydrophobicContact CG2-CE2 3.58Å; W139-Y324 AromaticContact CH2-CD2 3.79Å; W139-Y324 HydrophobicContact CH2-CD2 3.79Å; W139-Y324 AromaticContact CH2-CE2 3.62Å; W139-Y324 HydrophobicContact CH2-CE2 3.62Å; W139-Y324 HydrophobicContact CZ3-CD2 4.04Å; W139-Y324 HydrophobicContact CZ3-CE2 4.14Å; I320-Y324 WeakPolarHBondContact O-CB 3.2Å; I320-Y324 PolarHBondContact O-N 2.97Å; Y324-S326 PolarHBondContact O-N 3.23Å; Y324-L327 PolarHBondContact O-N 3.15Å
325	P	92.6	Very high	93.5	Very high	102 Å²	102	47.9 Å²	47.9	66%	0.662	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-61.5	-20.5	-179.2	-23.7	35.5	0	0	0	114.7	K323	K323-P325 VanDerWaalsContact C-CD 3.4Å; K323-P325 VanDerWaalsContact C-N 3.34Å; K323-P325 VanDerWaalsContact O-N 3.14Å
326	S	93.4	Very high	93.4	Very high	89 Å²	89	46.5 Å²	46.5	62%	0.622	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-101.3	-4.1	179.8	65.1	0	0	0	0	114	K323 Y324	K323-S326 PolarHBondContact O-N 3.08Å; K323-S326 PolarHBondContact O-OG 3.4Å; Y324-S326 PolarHBondContact O-N 3.23Å
327	L	95	Very high	93.2	Very high	11 Å²	11	49 Å²	49	6%	0.058	29%	0.286	C	S	.	.	S	Bend	trans	-77.2	139.3	-176.7	-66.1	178.7	0	0	0	111.2	W139 D148 I149 K323 Y324 Q329	W139-L327 HydrophobicContact CD2-CB 4.26Å; W139-L327 HydrophobicContact CD2-CD1 3.64Å; W139-L327 HydrophobicContact CD2-CG 4.44Å; W139-L327 HydrophobicContact CE3-CD1 3.57Å; W139-L327 HydrophobicContact CG-CD1 4.27Å; W139-L327 HydrophobicContact CH2-CB 4.28Å; W139-L327 HydrophobicContact CH2-CD1 3.98Å; W139-L327 HydrophobicContact CZ2-CB 3.66Å; W139-L327 HydrophobicContact CZ2-CD1 4.06Å; W139-L327 HydrophobicContact CZ3-CD1 3.73Å; D148-L327 HydrophobicContact CB-CD2 3.86Å; I149-L327 HydrophobicContact CD1-CD1 4.07Å; I149-L327 HydrophobicContact CG1-CD1 4.35Å; I149-L327 HydrophobicContact CG1-CD2 4.23Å; K323-L327 PolarHBondContact O-N 3.47Å; Y324-L327 PolarHBondContact O-N 3.15Å; L327-Q329 PolarHBondContact O-N 3.13Å; L327-Q329 PolarHBondContact O-NE2 2.88Å
328	P	92.4	Very high	93.1	Very high	54 Å²	54	52.2 Å²	52.2	35%	0.351	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-65.2	123.2	178.7	27.1	-33.6	0	0	0	110.2	W139 R331	W139-P328 PolarHBondContact NE1-O 3.31Å; P328-R331 HydrophobicContact CB-CB 4.19Å; P328-R331 HydrophobicContact CG-CB 4.27Å
329	Q	88.6	Confident	93.1	Very high	109 Å²	109	54.3 Å²	54.3	51%	0.509	32%	0.316	S	S	.	.	S	Bend	trans	-81.1	144.8	179	-59.3	-56.6	-45.7	0	0	110.8	L327 R331	L327-Q329 PolarHBondContact O-N 3.13Å; L327-Q329 PolarHBondContact O-NE2 2.88Å; Q329-R331 PolarHBondContact O-N 3.29Å
330	G	83.8	Confident	93.1	Very high	70 Å²	70	53 Å²	53	72%	0.722	31%	0.308	S	S	*	.	S	Bend	trans	71.8	-7.5	177.9	0	0	0	0	0	115.8
331	R	90.3	Very high	92.9	Very high	106 Å²	106	57.3 Å²	57.3	40%	0.4	33%	0.331	S	S	.	.			trans	-67.8	142	175.1	-177.4	-179.3	-179.8	-156.5	-1.6	110.8	N138 D148 P328 Q329 Y333	N138-R331 VanDerWaalsContact CA-O 3.25Å; N138-R331 WeakPolarHBondContact CA-O 3.17Å; N138-R331 WeakPolarHBondContact CB-O 3.4Å; N138-R331 PolarHBondContact ND2-O 2.92Å; D148-R331 IonicContact OD1-NH1 3.09Å; D148-R331 PolarHBondContact OD1-NH1 2.87Å; D148-R331 VanDerWaalsContact OD1-NH1 3.09Å; P328-R331 HydrophobicContact CB-CB 4.19Å; P328-R331 HydrophobicContact CG-CB 4.27Å; Q329-R331 PolarHBondContact O-N 3.29Å; R331-Y333 PolarHBondContact NH1-OH 3.2Å
332	V	93.2	Very high	92.6	Very high	60 Å²	60	61.5 Å²	61.5	36%	0.364	37%	0.367	S	S	.	.			trans	-132.2	137.9	170.4	-176.4	0	0	0	0	108.9	Q135 P334	Q135-V332 HydrophobicContact CB-CG1 4.27Å; Q135-V332 VanDerWaalsContact O-CG1 3.3Å; Q135-V332 WeakPolarHBondContact O-CG1 3.43Å; V332-P334 WeakPolarHBondContact O-CD 3.41Å
333	Y	93.1	Very high	92.5	Very high	8 Å²	8	60.8 Å²	60.8	3%	0.031	36%	0.362	C	S	.	.			trans	-70.7	120.6	175.9	-85.5	-103.2	0	0	0	110.3	Q135 F137 N138 V140 D148 R331 W339	Q135-Y333 VanDerWaalsContact CA-O 3.29Å; Q135-Y333 WeakPolarHBondContact CA-O 3.42Å; Q135-Y333 PolarHBondContact N-O 2.91Å; Q135-Y333 VanDerWaalsContact N-O 3.09Å; F137-Y333 PolarHBondContact O-N 2.87Å; N138-Y333 WeakPolarHBondContact O-CD2 3.29Å; N138-Y333 WeakPolarHBondContact O-CE2 3.43Å; V140-Y333 HydrophobicContact CG1-CD1 4.31Å; V140-Y333 HydrophobicContact CG1-CD2 4.19Å; V140-Y333 HydrophobicContact CG1-CE1 4.15Å; V140-Y333 HydrophobicContact CG1-CE2 4.02Å; V140-Y333 HydrophobicContact CG1-CG 4.33Å; V140-Y333 HydrophobicContact CG2-CE1 4.28Å; V140-Y333 HydrophobicContact CG2-CE2 4.37Å; D148-Y333 VanDerWaalsContact CG-OH 3.3Å; D148-Y333 PolarHBondContact OD1-OH 3.11Å; D148-Y333 WeakPolarHBondContact OD2-CE2 3.29Å; D148-Y333 VanDerWaalsContact OD2-CZ 3.3Å; D148-Y333 PolarHBondContact OD2-OH 2.82Å; R331-Y333 PolarHBondContact NH1-OH 3.2Å; Y333-W339 HydrophobicContact CD1-CB 4.45Å; Y333-W339 HydrophobicContact CD1-CG 4.34Å; Y333-W339 HydrophobicContact CE1-CD2 4.16Å; Y333-W339 AromaticContact CE1-CG 3.98Å; Y333-W339 HydrophobicContact CE1-CG 3.98Å
334	P	92.4	Very high	92.3	Very high	89 Å²	89	59.2 Å²	59.2	58%	0.578	36%	0.36	S	S	*	.	S	Bend	trans	-67.5	-43.7	-179	25.4	-32.4	0	0	0	111.2	K134 Q135 V332	K134-P334 WeakPolarHBondContact CB-O 3.39Å; Q135-P334 PolarHBondContact N-O 3.42Å; V332-P334 WeakPolarHBondContact O-CD 3.41Å
335	D	93	Very high	92.2	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.182	37%	0.373	C	S	.	.			trans	-142	97.4	-178.5	-162.8	-43.9	0	0	0	110.2	K134 E337 S338 W339	K134-D335 VanDerWaalsContact CE-OD2 3.25Å; K134-D335 WeakPolarHBondContact CE-OD2 3.29Å; K134-D335 IonicContact NZ-OD2 3.14Å; K134-D335 PolarHBondContact NZ-OD2 3.13Å; D335-E337 VanDerWaalsContact C-N 3.34Å; D335-E337 PolarHBondContact OD1-N 3.2Å; D335-S338 WeakPolarHBondContact OD1-CB 3.48Å; D335-S338 PolarHBondContact OD1-N 2.79Å; D335-S338 PolarHBondContact OD1-OG 3.04Å; D335-S338 VanDerWaalsContact OD1-OG 3.07Å; D335-S338 PolarHBondContact OD2-OG 3.33Å; D335-W339 PolarHBondContact O-N 2.04Å; D335-W339 VanDerWaalsContact O-N 3.16Å
336	L	91.8	Very high	92.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-66.6	-36.8	-179.4	179.2	60.1	0	0	0	111.9	W118 L130 F137 V140 W339 F340	W118-L336 HydrophobicContact CB-CD2 4.21Å; W118-L336 HydrophobicContact CD2-CD1 4.31Å; W118-L336 HydrophobicContact CD2-CD2 3.78Å; W118-L336 HydrophobicContact CE3-CD1 3.83Å; W118-L336 HydrophobicContact CE3-CD2 4.16Å; W118-L336 HydrophobicContact CE3-CG 4.47Å; W118-L336 HydrophobicContact CG-CD2 3.79Å; W118-L336 HydrophobicContact CZ3-CD1 4.18Å; L130-L336 HydrophobicContact CD2-CD2 3.89Å; L130-L336 HydrophobicContact CD2-CG 4.31Å; F137-L336 HydrophobicContact CD2-CD2 3.77Å; F137-L336 HydrophobicContact CE2-CD2 4.2Å; V140-L336 HydrophobicContact CG1-CD1 3.38Å; L336-W339 HydrophobicContact CD1-CE3 4Å; L336-W339 HydrophobicContact CD1-CZ3 4.43Å; L336-F340 WeakPolarHBondContact O-CB 3.39Å; L336-F340 PolarHBondContact O-N 3.19Å
337	E	93.4	Very high	92.1	Very high	59 Å²	59	56.5 Å²	56.5	28%	0.276	34%	0.34	S	S	.	.	H	α-helix	trans	-68	-45.1	-178.9	-174.6	168.6	-109.8	0	0	111.2	L130 A131 D335 F340 N341	L130-E337 HydrophobicContact CB-CB 3.66Å; L130-E337 HydrophobicContact CB-CG 3.98Å; A131-E337 VanDerWaalsContact CB-OE2 3.3Å; A131-E337 WeakPolarHBondContact CB-OE2 3.34Å; A131-E337 PolarHBondContact N-OE1 2.66Å; A131-E337 VanDerWaalsContact N-OE1 3.16Å; D335-E337 VanDerWaalsContact C-N 3.34Å; D335-E337 PolarHBondContact OD1-N 3.2Å; E337-F340 PolarHBondContact O-N 3.13Å; E337-N341 WeakPolarHBondContact CG-ND2 3.37Å; E337-N341 WeakPolarHBondContact O-CB 3.17Å; E337-N341 PolarHBondContact O-N 3.31Å; E337-N341 PolarHBondContact O-ND2 2.95Å
338	S	93.8	Very high	91.9	Very high	68 Å²	68	59.5 Å²	59.5	48%	0.476	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-44.6	177	-62.1	0	0	0	0	111.3	D335 F340 N341 A342	D335-S338 WeakPolarHBondContact OD1-CB 3.48Å; D335-S338 PolarHBondContact OD1-N 2.79Å; D335-S338 PolarHBondContact OD1-OG 3.04Å; D335-S338 VanDerWaalsContact OD1-OG 3.07Å; D335-S338 PolarHBondContact OD2-OG 3.33Å; S338-F340 VanDerWaalsContact C-N 3.31Å; S338-F340 PolarHBondContact O-N 2.8Å; S338-N341 PolarHBondContact O-N 2.71Å; S338-A342 WeakPolarHBondContact O-CB 2.99Å; S338-A342 PolarHBondContact O-N 3.25Å; S338-A342 VanDerWaalsContact O-N 3.15Å
339	W	94.8	Very high	91.9	Very high	43 Å²	43	59.9 Å²	59.9	16%	0.163	36%	0.359	C	S	.	.	H	α-helix	trans	-59.5	-43.1	174.8	170.9	83.1	0	0	0	111.6	W118 V140 T142 R144 S147 Y333 D335 L336 A342	W118-W339 HydrophobicContact CZ3-CZ3 4.07Å; V140-W339 HydrophobicContact CB-CH2 4.04Å; V140-W339 HydrophobicContact CB-CZ3 4.04Å; V140-W339 HydrophobicContact CG1-CE3 4.35Å; V140-W339 HydrophobicContact CG1-CZ3 4.17Å; V140-W339 HydrophobicContact CG2-CE3 4.34Å; V140-W339 HydrophobicContact CG2-CH2 3.39Å; V140-W339 HydrophobicContact CG2-CZ2 3.57Å; V140-W339 HydrophobicContact CG2-CZ3 3.81Å; T142-W339 HydrophobicContact CG2-CH2 4.05Å; T142-W339 HydrophobicContact CG2-CZ3 4.24Å; R144-W339 PolarHBondContact NH1-O 2.87Å; S147-W339 WeakPolarHBondContact OG-CH2 3.32Å; Y333-W339 HydrophobicContact CD1-CB 4.45Å; Y333-W339 HydrophobicContact CD1-CG 4.34Å; Y333-W339 HydrophobicContact CE1-CD2 4.16Å; Y333-W339 AromaticContact CE1-CG 3.98Å; Y333-W339 HydrophobicContact CE1-CG 3.98Å; D335-W339 PolarHBondContact O-N 2.04Å; D335-W339 VanDerWaalsContact O-N 3.16Å; L336-W339 HydrophobicContact CD1-CE3 4Å; L336-W339 HydrophobicContact CD1-CZ3 4.43Å; W339-A342 PolarHBondContact O-N 3.22Å
340	F	95.1	Very high	92.1	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-72.4	-33.4	-174	-162.7	-138	0	0	0	113	W118 E122 P124 T127 L130 T142 Y143 R144 L336 E337 S338	W118-F340 AromaticContact CH2-CD1 3.97Å; W118-F340 HydrophobicContact CH2-CD1 3.97Å; W118-F340 HydrophobicContact CH2-CD2 4.2Å; W118-F340 AromaticContact CH2-CE1 3.84Å; W118-F340 HydrophobicContact CH2-CE1 3.84Å; W118-F340 HydrophobicContact CH2-CE2 4.11Å; W118-F340 HydrophobicContact CH2-CG 4.15Å; W118-F340 AromaticContact CH2-CZ 3.9Å; W118-F340 HydrophobicContact CH2-CZ 3.9Å; W118-F340 HydrophobicContact CZ3-CD2 4.34Å; W118-F340 HydrophobicContact CZ3-CE2 4.41Å; E122-F340 WeakPolarHBondContact O-CZ 3.23Å; P124-F340 HydrophobicContact CB-CD1 3.86Å; P124-F340 HydrophobicContact CB-CE1 4.06Å; P124-F340 HydrophobicContact CB-CG 4.43Å; P124-F340 HydrophobicContact CG-CD1 3.67Å; P124-F340 HydrophobicContact CG-CD2 4.18Å; P124-F340 HydrophobicContact CG-CE1 3.71Å; P124-F340 HydrophobicContact CG-CE2 4.2Å; P124-F340 HydrophobicContact CG-CG 3.92Å; P124-F340 HydrophobicContact CG-CZ 3.98Å; P124-F340 WeakPolarHBondContact CG-O 3.4Å; T127-F340 HydrophobicContact CG2-CD1 4.2Å; T127-F340 HydrophobicContact CG2-CE1 3.86Å; L130-F340 HydrophobicContact CD1-CB 4.15Å; L130-F340 HydrophobicContact CD1-CD1 3.67Å; L130-F340 HydrophobicContact CD1-CG 4.31Å; T142-F340 HydrophobicContact CG2-CE2 4.24Å; Y143-F340 HydrophobicContact CE1-CE2 4.29Å; Y143-F340 HydrophobicContact CE1-CZ 4.11Å; R144-F340 PolarHBondContact NH1-O 3.02Å; L336-F340 WeakPolarHBondContact O-CB 3.39Å; L336-F340 PolarHBondContact O-N 3.19Å; E337-F340 PolarHBondContact O-N 3.13Å; S338-F340 VanDerWaalsContact C-N 3.31Å; S338-F340 PolarHBondContact O-N 2.8Å
341	N	93.1	Very high	92.8	Very high	89 Å²	89	55 Å²	55	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-81.8	-10.7	177	-72	-57.5	0	0	0	114.5	P124 E337 S338	P124-N341 VanDerWaalsContact CB-OD1 3.25Å; P124-N341 WeakPolarHBondContact CB-OD1 3.1Å; E337-N341 WeakPolarHBondContact CG-ND2 3.37Å; E337-N341 WeakPolarHBondContact O-CB 3.17Å; E337-N341 PolarHBondContact O-N 3.31Å; E337-N341 PolarHBondContact O-ND2 2.95Å; S338-N341 PolarHBondContact O-N 2.71Å
342	A	89.6	Confident	93	Very high	102 Å²	102	50.4 Å²	50.4	84%	0.843	31%	0.309	S	S	*	.			trans	-76.3	0	-177.8	0	0	0	0	0	114.5	R144 S338 W339	R144-A342 PolarHBondContact NH1-O 2.9Å; R144-A342 PolarHBondContact NH2-O 2.97Å; S338-A342 WeakPolarHBondContact O-CB 2.99Å; S338-A342 PolarHBondContact O-N 3.25Å; S338-A342 VanDerWaalsContact O-N 3.15Å; W339-A342 PolarHBondContact O-N 3.22Å

Retrieved 342 of 342 residues in 121.3 ms (Link to these results)

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