A0A5K4FBT3_SCHMA Loading...

Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

Glycosyltransferase that generates the core 1 O-glycan Gal-beta1-3GalNAc-alpha1-Ser/Thr (T antigen), which is a precursor for many extended O-glycans in glycoproteins.

AlphaFold DB (A0A5K4FD40), UniProt , Accession A0A5K4FBT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	34.6	Very low	234 Å²	234	159.8 Å²	159.8	100%	1.153	89%	0.886	S	S	*	*				0	141.8	0	-73.6	-179.1	-166.1	0	0	107.5
2	F	37.1	Very low	34.9	Very low	216 Å²	216	163.9 Å²	163.9	95%	0.947	88%	0.881	S	S	*	*			trans	89.4	102.3	-164.7	-58.9	-72.7	0	0	0	114.8
3	G	33.7	Very low	35.3	Very low	80 Å²	80	158.2 Å²	158.2	83%	0.825	87%	0.87	S	S	*	*			trans	-78.1	153.3	176.6	0	0	0	0	0	112.4
4	G	35.9	Very low	35.7	Very low	90 Å²	90	158.9 Å²	158.9	93%	0.928	86%	0.864	S	S	*	*				83.5	113.6	94.3	0	0	0	0	0	109.1
5	G	33.4	Very low	36.2	Very low	78 Å²	78	157.4 Å²	157.4	80%	0.804	85%	0.848	S	S	*	*			cis	151.3	101.9	17	0	0	0	0	0	104.6
6	L	30.3	Very low	36.7	Very low	174 Å²	174	156.7 Å²	156.7	91%	0.911	84%	0.838	S	S	*	*			trans	-67	137.3	168.1	-101.4	94.8	0	0	0	108.8
7	I	33.6	Very low	37.1	Very low	163 Å²	163	156.4 Å²	156.4	84%	0.836	83%	0.831	S	S	*	*			trans	175	106.2	140.6	-82.2	144.4	0	0	0	106.3
8	V	35.5	Very low	37.5	Very low	138 Å²	138	153.7 Å²	153.7	84%	0.836	82%	0.816	S	S	*	*			trans	-160.9	85.9	139	-172.6	0	0	0	0	107.2
9	H	33.3	Very low	37.8	Very low	173 Å²	173	151.7 Å²	151.7	80%	0.801	81%	0.805	S	S	*	*			trans	-135.7	141.8	156.6	-106.5	-54.1	0	0	0	105.9
10	F	34.7	Very low	38.1	Very low	198 Å²	198	149.9 Å²	149.9	87%	0.868	79%	0.787	S	S	*	*	S	Bend	trans	99.3	30.2	172.2	-61.7	-79.6	0	0	0	121
11	Y	34.7	Very low	38.4	Very low	214 Å²	214	146 Å²	146	84%	0.839	77%	0.77	S	S	*	*	S	Bend	trans	-121	0.8	166.2	-100.3	-84.2	0	0	0	117.1
12	Y	38.5	Very low	38.5	Very low	209 Å²	209	138 Å²	138	82%	0.82	74%	0.741	S	S	*	*	S	Bend	trans	-100.3	-14.9	-173.8	-96.8	-87	0	0	0	116.6
13	A	40.4	Very low	38.7	Very low	90 Å²	90	132.1 Å²	132.1	74%	0.744	72%	0.723	S	S	*	*	S	Bend	trans	-84.4	-11.7	-172.7	0	0	0	0	0	114.9
14	Q	40	Very low	39	Very low	167 Å²	167	133.2 Å²	133.2	78%	0.78	71%	0.709	S	S	*	*	S	Bend	trans	-99.4	-10.8	-175.4	-111.8	170.6	-34.5	0	0	114.5
15	H	43.3	Very low	39.1	Very low	137 Å²	137	136.6 Å²	136.6	63%	0.634	70%	0.699	S	S	*	*	S	Bend	trans	-96.9	-15.2	179	-86.5	-32.5	0	0	0	114.6
16	E	44.7	Very low	39.3	Very low	146 Å²	146	136 Å²	136	68%	0.682	69%	0.687	S	S	*	*	H	α-helix	trans	-73.8	-30.5	176.5	-84.2	-172.7	147.9	0	0	113.4	Y20	E16-Y20 PolarHBondContact O-N 3.09Å
17	E	43.7	Very low	39.7	Very low	152 Å²	152	132 Å²	132	71%	0.71	68%	0.678	S	S	*	*	H	α-helix	trans	-69.1	-37	178.9	-75.9	-169.6	151.7	0	0	112.6	T21	E17-T21 PolarHBondContact O-N 3.01Å; E17-T21 PolarHBondContact O-OG1 3.29Å
18	D	44.9	Very low	39.9	Very low	107 Å²	107	133.1 Å²	133.1	57%	0.572	68%	0.677	S	S	*	*	H	α-helix	trans	-72	-33	179.1	-74	-24.6	0	0	0	112.6	T21 A22	D18-T21 WeakPolarHBondContact CA-OG1 3.44Å; D18-T21 PolarHBondContact O-N 3.29Å; D18-T21 PolarHBondContact O-OG1 2.95Å; D18-A22 PolarHBondContact O-N 2.76Å; D18-A22 VanDerWaalsContact O-N 3.09Å
19	L	42.4	Very low	39.6	Very low	116 Å²	116	129.6 Å²	129.6	61%	0.607	66%	0.658	S	S	*	*	H	α-helix	trans	-71.4	-36.2	178.1	-96.6	148.1	0	0	0	112.4	T23	L19-T23 PolarHBondContact O-N 3.3Å; L19-T23 PolarHBondContact O-OG1 3.42Å
20	Y	43.2	Very low	39.7	Very low	115 Å²	115	127.9 Å²	127.9	45%	0.451	66%	0.663	S	S	.	*	H	α-helix	trans	-69.2	-34.7	174.3	-108.7	-86	0	0	0	112.4	E16 T23 L24	E16-Y20 PolarHBondContact O-N 3.09Å; Y20-T23 PolarHBondContact O-OG1 3.46Å; Y20-L24 WeakPolarHBondContact O-CD1 3.31Å; Y20-L24 PolarHBondContact O-N 3.26Å
21	T	44.2	Very low	40	Very low	70 Å²	70	127.2 Å²	127.2	43%	0.429	66%	0.659	S	S	.	*	H	α-helix	trans	-71.7	-38.1	175.8	11.1	0	0	0	0	111.6	E17 D18 T23 L24 F25	E17-T21 PolarHBondContact O-N 3.01Å; E17-T21 PolarHBondContact O-OG1 3.29Å; D18-T21 WeakPolarHBondContact CA-OG1 3.44Å; D18-T21 PolarHBondContact O-N 3.29Å; D18-T21 PolarHBondContact O-OG1 2.95Å; T21-T23 VanDerWaalsContact C-N 3.34Å; T21-T23 PolarHBondContact O-N 3.02Å; T21-L24 PolarHBondContact O-N 2.97Å; T21-F25 WeakPolarHBondContact O-CD2 3.2Å; T21-F25 PolarHBondContact O-N 3.03Å
22	A	41.3	Very low	40.1	Very low	64 Å²	64	124.7 Å²	124.7	53%	0.529	66%	0.66	S	S	.	*	H	α-helix	trans	-62.3	-37.8	177.4	0	0	0	0	0	113	D18 F25 A26	D18-A22 PolarHBondContact O-N 2.76Å; D18-A22 VanDerWaalsContact O-N 3.09Å; A22-F25 PolarHBondContact O-N 3.04Å; A22-A26 PolarHBondContact O-N 2.73Å
23	T	42	Very low	40.1	Very low	94 Å²	94	118.6 Å²	118.6	58%	0.577	65%	0.653	S	S	*	*	H	α-helix	trans	-69.7	-35	176.1	15.6	0	0	0	0	112.6	L19 Y20 T21	L19-T23 PolarHBondContact O-N 3.3Å; L19-T23 PolarHBondContact O-OG1 3.42Å; Y20-T23 PolarHBondContact O-OG1 3.46Å; T21-T23 VanDerWaalsContact C-N 3.34Å; T21-T23 PolarHBondContact O-N 3.02Å
24	L	39.8	Very low	40	Very low	102 Å²	102	119 Å²	119	53%	0.534	66%	0.656	S	S	.	*	H	α-helix	trans	-72.2	-30	176.2	-101.4	117.4	0	0	0	113.8	Y20 T21	Y20-L24 WeakPolarHBondContact O-CD1 3.31Å; Y20-L24 PolarHBondContact O-N 3.26Å; T21-L24 PolarHBondContact O-N 2.97Å
25	F	37.3	Very low	40.1	Very low	161 Å²	161	118.5 Å²	118.5	71%	0.706	66%	0.658	S	S	*	*	H	α-helix	trans	-74.7	-31.8	176.1	-92.7	-83.8	0	0	0	112.9	T21 A22 K28	T21-F25 WeakPolarHBondContact O-CD2 3.2Å; T21-F25 PolarHBondContact O-N 3.03Å; A22-F25 PolarHBondContact O-N 3.04Å; F25-K28 PolarHBondContact O-N 3.05Å
26	A	37.8	Very low	40.3	Very low	67 Å²	67	117.2 Å²	117.2	55%	0.554	66%	0.656	S	S	*	*	H	α-helix	trans	-70.2	-30.6	179.4	0	0	0	0	0	113.3	A22 K28	A22-A26 PolarHBondContact O-N 2.73Å; A26-K28 PolarHBondContact O-N 3.1Å
27	A	38.2	Very low	40.6	Very low	89 Å²	89	115.4 Å²	115.4	74%	0.736	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-10.9	178.9	0	0	0	0	0	114.3
28	K	37.2	Very low	40.7	Very low	187 Å²	187	111 Å²	111	81%	0.813	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	5.1	-175.1	-81.9	-174.2	175.2	179.6	0	115.6	F25 A26	F25-K28 PolarHBondContact O-N 3.05Å; A26-K28 PolarHBondContact O-N 3.1Å
29	S	30.7	Very low	40.4	Very low	63 Å²	63	113.1 Å²	113.1	44%	0.441	64%	0.642	S	S	.	*			trans	-138	107	179.1	-170.8	0	0	0	0	112.9	K31	S29-K31 PolarHBondContact O-N 3.04Å
30	P	35.6	Very low	40.2	Very low	137 Å²	137	113.9 Å²	113.9	89%	0.89	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	19.6	176.7	-15.9	29.6	0	0	0	115.2
31	K	39.3	Very low	40.3	Very low	184 Å²	184	115.4 Å²	115.4	80%	0.8	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	7.4	-169.4	-79	-168.8	175.6	-177.5	0	116.9	S29	S29-K31 PolarHBondContact O-N 3.04Å
32	L	38.1	Very low	40.3	Very low	162 Å²	162	118 Å²	118	85%	0.848	66%	0.663	S	S	*	*	S	Bend	trans	-108.4	72.5	169	-74.4	157.6	0	0	0	107.9
33	A	37.9	Very low	40.2	Very low	81 Å²	81	119.2 Å²	119.2	67%	0.669	66%	0.659	S	S	*	*				72.2	92.9	93.3	0	0	0	0	0	111.9	N35	A33-N35 PolarHBondContact O-N 2.86Å; A33-N35 VanDerWaalsContact O-N 3.1Å
34	A	37.6	Very low	40.2	Very low	98 Å²	98	120.1 Å²	120.1	81%	0.81	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	106.4	153.5	0	0	0	0	0	109.7
35	N	43.3	Very low	40.6	Very low	156 Å²	156	119.4 Å²	119.4	83%	0.834	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.3	10.9	148.7	-97.5	-4.5	0	0	0	115.1	A33 D37	A33-N35 PolarHBondContact O-N 2.86Å; A33-N35 VanDerWaalsContact O-N 3.1Å; N35-D37 PolarHBondContact O-N 3.24Å
36	D	48.1	Very low	41.2	Very low	110 Å²	110	116.8 Å²	116.8	59%	0.588	66%	0.656	S	S	*	*			trans	-89.1	94.1	179.1	-145.9	-19.2	0	0	0	111.5	A38 Y39 K40	D36-A38 PolarHBondContact O-N 3.15Å; D36-A38 WeakPolarHBondContact OD1-CB 3.42Å; D36-A38 PolarHBondContact OD1-N 3.25Å; D36-Y39 VanDerWaalsContact O-CB 3.31Å; D36-Y39 WeakPolarHBondContact O-CB 3.37Å; D36-Y39 PolarHBondContact O-N 3.04Å; D36-K40 PolarHBondContact O-N 3.41Å
37	D	49.2	Very low	41.7	Very low	108 Å²	108	116.2 Å²	116.2	58%	0.578	64%	0.644	S	S	*	*	H	α-helix	trans	-62	-17.2	174.5	-78	-32.4	0	0	0	112.3	N35 K40 Q41	N35-D37 PolarHBondContact O-N 3.24Å; D37-K40 IonicContact OD1-NZ 3.75Å; D37-K40 PolarHBondContact OD1-NZ 3.02Å; D37-Q41 PolarHBondContact O-N 3.24Å
38	A	45.8	Very low	41.9	Very low	61 Å²	61	116.1 Å²	116.1	50%	0.504	64%	0.638	S	S	.	*	H	α-helix	trans	-70.5	-32.4	170	0	0	0	0	0	112.6	D36 Q41 L42	D36-A38 PolarHBondContact O-N 3.15Å; D36-A38 WeakPolarHBondContact OD1-CB 3.42Å; D36-A38 PolarHBondContact OD1-N 3.25Å; A38-Q41 PolarHBondContact O-N 3.02Å; A38-L42 PolarHBondContact O-N 2.98Å
39	Y	39.7	Very low	42.3	Very low	151 Å²	151	113.5 Å²	113.5	59%	0.592	63%	0.631	S	S	*	*	H	α-helix	trans	-68.4	-37.9	175.4	-174	-99	0	0	0	111.5	D36 L42 I43	D36-Y39 VanDerWaalsContact O-CB 3.31Å; D36-Y39 WeakPolarHBondContact O-CB 3.37Å; D36-Y39 PolarHBondContact O-N 3.04Å; Y39-L42 PolarHBondContact O-N 2.89Å; Y39-I43 HydrophobicContact CD1-CD1 3.88Å; Y39-I43 HydrophobicContact CE1-CD1 3.41Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.41Å; Y39-I43 HydrophobicContact CE1-CG1 4.45Å; Y39-I43 WeakPolarHBondContact O-CG1 3.4Å; Y39-I43 PolarHBondContact O-N 3.3Å
40	K	38.7	Very low	43.2	Very low	131 Å²	131	115.8 Å²	115.8	57%	0.57	64%	0.635	S	S	*	*	H	α-helix	trans	-63.7	-42.5	172.9	-73.2	179.1	-174.6	160.1	0	111.9	D36 D37 I44	D36-K40 PolarHBondContact O-N 3.41Å; D37-K40 IonicContact OD1-NZ 3.75Å; D37-K40 PolarHBondContact OD1-NZ 3.02Å; K40-I44 VanDerWaalsContact O-CD1 3.26Å; K40-I44 WeakPolarHBondContact O-CD1 3.28Å; K40-I44 WeakPolarHBondContact O-CG1 3.39Å; K40-I44 PolarHBondContact O-N 3.24Å
41	Q	45.6	Very low	43.3	Very low	148 Å²	148	114.7 Å²	114.7	69%	0.692	62%	0.618	S	S	*	*	H	α-helix	trans	-69.4	-33.6	179.1	-74.8	-164.7	-6.7	0	0	113.3	D37 A38 I44 S45	D37-Q41 PolarHBondContact O-N 3.24Å; A38-Q41 PolarHBondContact O-N 3.02Å; Q41-I44 PolarHBondContact O-N 3.41Å; Q41-S45 PolarHBondContact O-N 3.31Å
42	L	42.8	Very low	43.3	Very low	125 Å²	125	111.9 Å²	111.9	65%	0.654	61%	0.607	S	S	*	*	H	α-helix	trans	-67.9	-39.8	179.4	-150.9	84.1	0	0	0	111.9	A38 Y39 S45	A38-L42 PolarHBondContact O-N 2.98Å; Y39-L42 PolarHBondContact O-N 2.89Å; L42-S45 PolarHBondContact O-N 3.33Å; L42-S45 PolarHBondContact O-OG 2.85Å
43	I	39.4	Very low	43.6	Very low	88 Å²	88	106.3 Å²	106.3	45%	0.451	59%	0.585	S	S	.	*	H	α-helix	trans	-61.7	-46.4	174.1	-67.5	176	0	0	0	110.5	Y39 S45 N46	Y39-I43 HydrophobicContact CD1-CD1 3.88Å; Y39-I43 HydrophobicContact CE1-CD1 3.41Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.41Å; Y39-I43 HydrophobicContact CE1-CG1 4.45Å; Y39-I43 WeakPolarHBondContact O-CG1 3.4Å; Y39-I43 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact C-N 3.26Å; I43-S45 PolarHBondContact O-N 3.26Å; I43-N46 PolarHBondContact O-N 3.36Å
44	I	42.6	Very low	43.9	Very low	113 Å²	113	106 Å²	106	58%	0.579	57%	0.572	S	S	*	*	H	α-helix	trans	-64.8	-28.3	-176.1	-63.8	163.4	0	0	0	112.8	K40 Q41 N46 D47	K40-I44 VanDerWaalsContact O-CD1 3.26Å; K40-I44 WeakPolarHBondContact O-CD1 3.28Å; K40-I44 WeakPolarHBondContact O-CG1 3.39Å; K40-I44 PolarHBondContact O-N 3.24Å; Q41-I44 PolarHBondContact O-N 3.41Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.41Å; I44-D47 WeakPolarHBondContact CA-OD2 3.45Å
45	S	48.7	Very low	43.9	Very low	88 Å²	88	106.3 Å²	106.3	62%	0.615	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-13.1	-172.7	69.5	0	0	0	0	115.2	Q41 L42 I43	Q41-S45 PolarHBondContact O-N 3.31Å; L42-S45 PolarHBondContact O-N 3.33Å; L42-S45 PolarHBondContact O-OG 2.85Å; I43-S45 VanDerWaalsContact C-N 3.26Å; I43-S45 PolarHBondContact O-N 3.26Å
46	N	49.6	Very low	43.7	Very low	105 Å²	105	104.9 Å²	104.9	56%	0.561	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	11.2	-179.5	-111.8	-0.4	0	0	0	113.1	I43 I44 S48 H50	I43-N46 PolarHBondContact O-N 3.36Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.41Å; N46-S48 PolarHBondContact O-N 3.37Å; N46-H50 PolarHBondContact O-N 2.92Å
47	D	48.2	Very low	43.4	Very low	56 Å²	56	102.2 Å²	102.2	30%	0.299	53%	0.53	S	S	.	.	H	α-helix	trans	-61.6	-31	-167	-92.3	-18.1	0	0	0	114.2	I44 I49 E51	I44-D47 WeakPolarHBondContact CA-OD2 3.45Å; D47-I49 PolarHBondContact O-N 2.84Å; D47-E51 WeakPolarHBondContact O-CA 3.39Å; D47-E51 WeakPolarHBondContact O-CB 3.21Å; D47-E51 WeakPolarHBondContact O-CG 3.33Å; D47-E51 PolarHBondContact O-N 3.24Å
48	S	41.9	Very low	43	Very low	86 Å²	86	100.8 Å²	100.8	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-72.6	-33	-171.8	67.1	0	0	0	0	114.8	N46 H52	N46-S48 PolarHBondContact O-N 3.37Å; S48-H52 PolarHBondContact O-N 3.06Å
49	I	46.6	Very low	42.8	Very low	133 Å²	133	104.4 Å²	104.4	68%	0.682	54%	0.539	S	S	*	.	H	α-helix	trans	-85.8	-36.4	177.6	-61.7	174.3	0	0	0	109.8	D47 A53	D47-I49 PolarHBondContact O-N 2.84Å; I49-A53 PolarHBondContact O-N 3.25Å
50	H	49.2	Very low	43.5	Very low	111 Å²	111	98.8 Å²	98.8	51%	0.514	52%	0.524	S	S	.	.	H	α-helix	trans	-70.2	-42.6	175.4	-103.3	-55.9	0	0	0	112.4	N46 A53 L54	N46-H50 PolarHBondContact O-N 2.92Å; H50-A53 PolarHBondContact O-N 3.04Å; H50-L54 HydrophobicContact CB-CD1 4.17Å; H50-L54 WeakPolarHBondContact O-CA 3.29Å; H50-L54 WeakPolarHBondContact O-CB 3.46Å; H50-L54 WeakPolarHBondContact O-CD1 3.41Å; H50-L54 VanDerWaalsContact O-CG 3.23Å; H50-L54 WeakPolarHBondContact O-CG 3.5Å; H50-L54 PolarHBondContact O-N 2.94Å
51	E	37.4	Very low	45.2	Very low	114 Å²	114	95.9 Å²	95.9	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-59.6	-48.6	174.7	-86.3	-173.5	130.7	0	0	110.4	D47 A53 L54 Q55	D47-E51 WeakPolarHBondContact O-CA 3.39Å; D47-E51 WeakPolarHBondContact O-CB 3.21Å; D47-E51 WeakPolarHBondContact O-CG 3.33Å; D47-E51 PolarHBondContact O-N 3.24Å; E51-A53 PolarHBondContact O-N 3.42Å; E51-L54 CarbonylContact O-C 3.55Å; E51-L54 PolarHBondContact O-N 3.12Å; E51-Q55 WeakPolarHBondContact O-CA 3.5Å; E51-Q55 WeakPolarHBondContact O-CB 3.4Å; E51-Q55 PolarHBondContact O-N 3.11Å
52	H	39	Very low	47	Very low	124 Å²	124	90.2 Å²	90.2	57%	0.574	49%	0.492	S	S	*	.	H	α-helix	trans	-63.6	-41.7	-179.4	-89.2	-41.4	0	0	0	113.3	S48 H56	S48-H52 PolarHBondContact O-N 3.06Å; H52-H56 WeakPolarHBondContact O-CB 3.3Å; H52-H56 PolarHBondContact O-CD2 3.2Å; H52-H56 PolarHBondContact O-N 3.07Å
53	A	45.1	Very low	49.1	Very low	46 Å²	46	85.7 Å²	85.7	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-68.9	-42.6	175.5	0	0	0	0	0	112	I49 H50 E51 Q55 L57	I49-A53 PolarHBondContact O-N 3.25Å; H50-A53 PolarHBondContact O-N 3.04Å; E51-A53 PolarHBondContact O-N 3.42Å; A53-Q55 VanDerWaalsContact C-N 3.33Å; A53-L57 WeakPolarHBondContact O-CB 3.37Å; A53-L57 VanDerWaalsContact O-CD1 3.3Å; A53-L57 WeakPolarHBondContact O-CD1 3.36Å; A53-L57 WeakPolarHBondContact O-CG 3.07Å; A53-L57 PolarHBondContact O-N 2.94Å
54	L	44.1	Very low	51.4	Low	75 Å²	75	85.6 Å²	85.6	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-68.1	-30.5	176.6	-78.4	159.8	0	0	0	112.2	H50 E51 L57 A58	H50-L54 HydrophobicContact CB-CD1 4.17Å; H50-L54 WeakPolarHBondContact O-CA 3.29Å; H50-L54 WeakPolarHBondContact O-CB 3.46Å; H50-L54 WeakPolarHBondContact O-CD1 3.41Å; H50-L54 VanDerWaalsContact O-CG 3.23Å; H50-L54 WeakPolarHBondContact O-CG 3.5Å; H50-L54 PolarHBondContact O-N 2.94Å; E51-L54 CarbonylContact O-C 3.55Å; E51-L54 PolarHBondContact O-N 3.12Å; L54-L57 CarbonylContact O-C 3.49Å; L54-A58 WeakPolarHBondContact O-CA 3.45Å; L54-A58 WeakPolarHBondContact O-CB 3.29Å; L54-A58 PolarHBondContact O-N 3.42Å
55	Q	36.8	Very low	53.6	Low	103 Å²	103	81.9 Å²	81.9	48%	0.481	46%	0.456	S	S	.	.	H	α-helix	trans	-77.7	-39.9	178.3	-164.9	160.1	13.9	0	0	110.2	E51 A53 A58 E59	E51-Q55 WeakPolarHBondContact O-CA 3.5Å; E51-Q55 WeakPolarHBondContact O-CB 3.4Å; E51-Q55 PolarHBondContact O-N 3.11Å; A53-Q55 VanDerWaalsContact C-N 3.33Å; Q55-A58 PolarHBondContact O-N 3.47Å; Q55-E59 WeakPolarHBondContact O-CB 3.39Å; Q55-E59 VanDerWaalsContact O-CG 3.31Å; Q55-E59 WeakPolarHBondContact O-CG 3.21Å; Q55-E59 PolarHBondContact O-N 3.32Å
56	H	38.7	Very low	55.7	Low	126 Å²	126	78.1 Å²	78.1	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-66.5	-33.8	168.1	-77.1	-53.6	0	0	0	113.2	H52 A60	H52-H56 WeakPolarHBondContact O-CB 3.3Å; H52-H56 PolarHBondContact O-CD2 3.2Å; H52-H56 PolarHBondContact O-N 3.07Å; H56-A60 WeakPolarHBondContact O-CB 3.35Å; H56-A60 PolarHBondContact O-N 3.43Å
57	L	42.4	Very low	57.8	Low	54 Å²	54	74.1 Å²	74.1	28%	0.283	41%	0.41	S	S	.	.	H	α-helix	trans	-76.1	-30.1	173.3	-76.3	161.7	0	0	0	112.9	A53 L54 A60 L324 L328	A53-L57 WeakPolarHBondContact O-CB 3.37Å; A53-L57 VanDerWaalsContact O-CD1 3.3Å; A53-L57 WeakPolarHBondContact O-CD1 3.36Å; A53-L57 WeakPolarHBondContact O-CG 3.07Å; A53-L57 PolarHBondContact O-N 2.94Å; L54-L57 CarbonylContact O-C 3.49Å; L57-A60 CarbonylContact O-C 3.56Å; L57-A60 VanDerWaalsContact O-O 3.14Å; L57-L324 HydrophobicContact CB-CD2 4.23Å; L57-L324 HydrophobicContact CD2-CD1 4.19Å; L57-L324 HydrophobicContact CD2-CD2 3.71Å; L57-L324 HydrophobicContact CD2-CG 4.03Å; L57-L328 HydrophobicContact CD1-CD1 4.47Å; L57-L328 HydrophobicContact CD2-CD1 3.46Å; L57-L328 VanDerWaalsContact CD2-CD1 3.46Å
58	A	40	Very low	60	Low	79 Å²	79	79.8 Å²	79.8	65%	0.653	43%	0.432	S	S	*	.	H	α-helix	trans	-76.8	-28.6	174.8	0	0	0	0	0	111.9	L54 Q55	L54-A58 WeakPolarHBondContact O-CA 3.45Å; L54-A58 WeakPolarHBondContact O-CB 3.29Å; L54-A58 PolarHBondContact O-N 3.42Å; Q55-A58 PolarHBondContact O-N 3.47Å
59	E	43	Very low	62.5	Low	136 Å²	136	80.7 Å²	80.7	64%	0.636	43%	0.427	S	S	*	.	H	α-helix	trans	-77.5	-28.5	172.4	-76.1	179.9	176.4	0	0	112.8	Q55	Q55-E59 WeakPolarHBondContact O-CB 3.39Å; Q55-E59 VanDerWaalsContact O-CG 3.31Å; Q55-E59 WeakPolarHBondContact O-CG 3.21Å; Q55-E59 PolarHBondContact O-N 3.32Å
60	A	53.2	Low	64.9	Low	33 Å²	33	74.7 Å²	74.7	27%	0.273	40%	0.396	S	S	.	.	S	Bend	trans	-107.7	86.1	177.9	0	0	0	0	0	111.3	H56 L57 L62 V65	H56-A60 WeakPolarHBondContact O-CB 3.35Å; H56-A60 PolarHBondContact O-N 3.43Å; L57-A60 CarbonylContact O-C 3.56Å; L57-A60 VanDerWaalsContact O-O 3.14Å; A60-L62 PolarHBondContact O-N 2.94Å; A60-V65 HydrophobicContact CB-CG2 4Å
61	T	75.4	Confident	67.3	Low	70 Å²	70	73.4 Å²	73.4	43%	0.429	39%	0.387	S	S	.	.			trans	-53.9	144.7	163.3	62.3	0	0	0	0	108.8	A63 N64 V65	T61-A63 PolarHBondContact O-N 2.82Å; T61-A63 VanDerWaalsContact O-N 3.09Å; T61-N64 WeakPolarHBondContact O-CA 3.36Å; T61-N64 WeakPolarHBondContact O-CB 3.46Å; T61-N64 PolarHBondContact O-N 3.48Å; T61-N64 PolarHBondContact OG1-N 3.22Å; T61-N64 PolarHBondContact OG1-ND2 3.36Å; T61-V65 PolarHBondContact O-N 2.83Å; T61-V65 VanDerWaalsContact O-N 3.11Å
62	L	83.4	Confident	70.2	Confident	29 Å²	29	68 Å²	68	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-51.5	-35.8	173.9	176.7	59.7	0	0	0	111.2	A60 N64 V65 L66 D323 L324 Y327	A60-L62 PolarHBondContact O-N 2.94Å; L62-N64 PolarHBondContact O-N 3.39Å; L62-V65 PolarHBondContact O-N 2.82Å; L62-L66 HydrophobicContact CD1-CD1 4.17Å; L62-L66 HydrophobicContact CD1-CG 4Å; L62-L66 HydrophobicContact CG-CD1 3.99Å; L62-L66 HydrophobicContact CG-CG 4.25Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 WeakPolarHBondContact O-CG 3.16Å; L62-L66 PolarHBondContact O-N 3.48Å; L62-D323 HydrophobicContact CD2-CB 3.84Å; L62-L324 HydrophobicContact CB-CD1 4.21Å; L62-Y327 HydrophobicContact CD1-CD1 3.64Å; L62-Y327 HydrophobicContact CD1-CD2 3.64Å; L62-Y327 HydrophobicContact CD1-CE1 4.19Å; L62-Y327 HydrophobicContact CD1-CE2 4.17Å; L62-Y327 HydrophobicContact CD1-CG 3.34Å
63	A	87.5	Confident	73.1	Confident	31 Å²	31	62.1 Å²	62.1	26%	0.256	33%	0.334	S	S	.	.	H	α-helix	trans	-56.6	-44.1	172.6	0	0	0	0	0	113.1	T61 L66 A67 E160	T61-A63 PolarHBondContact O-N 2.82Å; T61-A63 VanDerWaalsContact O-N 3.09Å; A63-L66 PolarHBondContact O-N 2.85Å; A63-A67 VanDerWaalsContact O-CB 3.25Å; A63-A67 WeakPolarHBondContact O-CB 3.28Å; A63-A67 PolarHBondContact O-N 2.91Å; A63-E160 HydrophobicContact CB-CG 3.77Å
64	N	87.2	Confident	75.6	Confident	85 Å²	85	60 Å²	60	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-39.1	176.8	-73.3	-16.1	0	0	0	112.3	T61 L62 A67 K68	T61-N64 WeakPolarHBondContact O-CA 3.36Å; T61-N64 WeakPolarHBondContact O-CB 3.46Å; T61-N64 PolarHBondContact O-N 3.48Å; T61-N64 PolarHBondContact OG1-N 3.22Å; T61-N64 PolarHBondContact OG1-ND2 3.36Å; L62-N64 PolarHBondContact O-N 3.39Å; N64-A67 PolarHBondContact O-N 2.96Å; N64-K68 PolarHBondContact O-N 2.82Å
65	V	87.8	Confident	78.2	Confident	36 Å²	36	56.4 Å²	56.4	22%	0.218	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-50.9	175	176.8	0	0	0	0	110	A60 T61 L62 A67 K68 Q69 Y327	A60-V65 HydrophobicContact CB-CG2 4Å; T61-V65 PolarHBondContact O-N 2.83Å; T61-V65 VanDerWaalsContact O-N 3.11Å; L62-V65 PolarHBondContact O-N 2.82Å; V65-A67 VanDerWaalsContact C-N 3.3Å; V65-A67 PolarHBondContact O-N 2.69Å; V65-K68 PolarHBondContact O-N 3.47Å; V65-K68 VanDerWaalsContact O-N 3.16Å; V65-Q69 PolarHBondContact O-N 3.4Å; V65-Y327 HydrophobicContact CG1-CE1 4.01Å
66	L	92.9	Very high	81.2	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-33.8	178.4	-71	179.3	0	0	0	112.2	L62 A63 K68 Q69 V70 R163 H167 Y327	L62-L66 HydrophobicContact CD1-CD1 4.17Å; L62-L66 HydrophobicContact CD1-CG 4Å; L62-L66 HydrophobicContact CG-CD1 3.99Å; L62-L66 HydrophobicContact CG-CG 4.25Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 WeakPolarHBondContact O-CG 3.16Å; L62-L66 PolarHBondContact O-N 3.48Å; A63-L66 PolarHBondContact O-N 2.85Å; L66-K68 PolarHBondContact O-N 3.03Å; L66-Q69 PolarHBondContact O-N 2.8Å; L66-V70 WeakPolarHBondContact O-CA 3.49Å; L66-V70 WeakPolarHBondContact O-CB 3.45Å; L66-V70 PolarHBondContact O-N 2.83Å; L66-R163 HydrophobicContact CB-CB 4.13Å; L66-R163 HydrophobicContact CD1-CB 4.45Å; L66-H167 HydrophobicContact CD2-CB 3.77Å; L66-Y327 HydrophobicContact CD2-CE2 4.04Å
67	A	94.8	Very high	84	Confident	21 Å²	21	45.9 Å²	45.9	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-27.7	176.8	0	0	0	0	0	113.4	A63 N64 V65 N99	A63-A67 VanDerWaalsContact O-CB 3.25Å; A63-A67 WeakPolarHBondContact O-CB 3.28Å; A63-A67 PolarHBondContact O-N 2.91Å; N64-A67 PolarHBondContact O-N 2.96Å; V65-A67 VanDerWaalsContact C-N 3.3Å; V65-A67 PolarHBondContact O-N 2.69Å; A67-N99 PolarHBondContact O-ND2 3Å
68	K	94.2	Very high	86.6	Confident	174 Å²	174	43.5 Å²	43.5	76%	0.757	24%	0.237	S	C	*	.	H	α-helix	trans	-80.4	-35.4	173.6	-66.7	175.8	-176.2	177.1	0	112.3	N64 V65 L66	N64-K68 PolarHBondContact O-N 2.82Å; V65-K68 PolarHBondContact O-N 3.47Å; V65-K68 VanDerWaalsContact O-N 3.16Å; L66-K68 PolarHBondContact O-N 3.03Å
69	Q	94.1	Very high	89.3	Confident	106 Å²	106	43.1 Å²	43.1	50%	0.495	22%	0.223	S	C	.	.	H	α-helix	trans	-84.9	-32	-176.9	-68.6	177.2	-2.9	0	0	114	V65 L66 Y327	V65-Q69 PolarHBondContact O-N 3.4Å; L66-Q69 PolarHBondContact O-N 2.8Å; Q69-Y327 PolarHBondContact NE2-OH 3.38Å; Q69-Y327 PolarHBondContact OE1-OH 3.38Å
70	V	97.7	Very high	91.8	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.036	20%	0.203	C	C	.	.	S	Bend	trans	-118.9	90.6	-175.2	-176.6	0	0	0	0	108	L66 V72 Y147 R163 L166 H167	L66-V70 WeakPolarHBondContact O-CA 3.49Å; L66-V70 WeakPolarHBondContact O-CB 3.45Å; L66-V70 PolarHBondContact O-N 2.83Å; V70-V72 HydrophobicContact CG1-CG2 4.14Å; V70-V72 PolarHBondContact O-N 3.41Å; V70-Y147 HydrophobicContact CG1-CD2 3.64Å; V70-Y147 HydrophobicContact CG1-CE2 3.75Å; V70-R163 HydrophobicContact CB-CB 4.36Å; V70-R163 HydrophobicContact CB-CG 4.05Å; V70-R163 HydrophobicContact CG1-CB 4.34Å; V70-R163 HydrophobicContact CG1-CG 3.97Å; V70-R163 PolarHBondContact O-NE 3.24Å; V70-L166 HydrophobicContact CG1-CB 3.8Å; V70-L166 HydrophobicContact CG1-CD1 4.33Å; V70-H167 HydrophobicContact CG2-CB 3.7Å
71	R	98.5	Very high	93.8	Very high	85 Å²	85	41.9 Å²	41.9	32%	0.321	22%	0.222	S	C	.	.			trans	-82.9	109.6	-176	-57.3	171	-64.7	166.2	-1	109.9	N99 D144 Y145 D146 Y147	R71-N99 WeakPolarHBondContact CA-OD1 3.5Å; R71-D144 VanDerWaalsContact CZ-O 3.28Å; R71-D144 PolarHBondContact NH1-O 3.2Å; R71-Y145 HydrophobicContact CB-CD1 4.03Å; R71-D146 VanDerWaalsContact CB-OD2 3.26Å; R71-D146 WeakPolarHBondContact CB-OD2 3.12Å; R71-D146 WeakPolarHBondContact CG-OD2 3.29Å; R71-D146 IonicContact CZ-OD1 4Å; R71-D146 IonicContact CZ-OD2 3.33Å; R71-D146 PolarHBondContact N-OD2 3Å; R71-D146 IonicContact NE-OD1 3.65Å; R71-D146 IonicContact NE-OD2 2.92Å; R71-D146 PolarHBondContact NE-OD2 2.69Å; R71-D146 IonicContact NH2-OD1 3.83Å; R71-D146 PolarHBondContact NH2-OD1 2.85Å; R71-D146 IonicContact NH2-OD2 3.19Å; R71-D146 PolarHBondContact O-N 2.71Å; R71-Y147 PolarHBondContact O-N 3.14Å
72	V	98.8	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.9	-178.2	-177.3	0	0	0	0	110.4	V70 N99 Y147 M149 L162 R163 L166	V70-V72 HydrophobicContact CG1-CG2 4.14Å; V70-V72 PolarHBondContact O-N 3.41Å; V72-N99 PolarHBondContact N-OD1 3.41Å; V72-N99 WeakPolarHBondContact O-CB 3.39Å; V72-N99 PolarHBondContact O-N 3.45Å; V72-Y147 WeakPolarHBondContact CA-O 3.39Å; V72-M149 HydrophobicContact CG1-CB 4.08Å; V72-L162 HydrophobicContact CG1-CD2 3.92Å; V72-R163 HydrophobicContact CG2-CG 4.19Å; V72-L166 HydrophobicContact CG2-CD1 4.13Å
73	F	98.8	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.7	166.2	-173.8	-72.3	0	0	0	109.4	W75 K100 L102 I137 Y141 Y145 Y147 F148 M149	F73-W75 HydrophobicContact CD1-CE3 4.37Å; F73-W75 HydrophobicContact CE1-CB 4.17Å; F73-K100 CarbonylContact C-O 3.51Å; F73-K100 WeakPolarHBondContact CA-O 3.4Å; F73-K100 HydrophobicContact CD2-CB 3.74Å; F73-K100 HydrophobicContact CD2-CG 3.76Å; F73-K100 HydrophobicContact CE2-CB 4.08Å; F73-K100 HydrophobicContact CE2-CG 3.54Å; F73-K100 HydrophobicContact CZ-CG 4.42Å; F73-L102 HydrophobicContact CE1-CG 4.43Å; F73-L102 HydrophobicContact CZ-CB 4.24Å; F73-L102 HydrophobicContact CZ-CD1 3.69Å; F73-L102 HydrophobicContact CZ-CG 3.69Å; F73-I137 HydrophobicContact CD1-CD1 4.41Å; F73-I137 HydrophobicContact CD1-CG2 4.24Å; F73-I137 HydrophobicContact CE1-CD1 3.69Å; F73-I137 HydrophobicContact CE1-CG1 4.03Å; F73-I137 HydrophobicContact CE1-CG2 4.16Å; F73-I137 HydrophobicContact CZ-CD1 4.27Å; F73-I137 HydrophobicContact CZ-CG1 4.14Å; F73-I137 HydrophobicContact CZ-CG2 4.37Å; F73-Y141 HydrophobicContact CD2-CD2 4.5Å; F73-Y141 HydrophobicContact CD2-CG 4.12Å; F73-Y141 AromaticContact CE2-CD1 3.99Å; F73-Y141 HydrophobicContact CE2-CD1 3.99Å; F73-Y141 AromaticContact CE2-CD2 3.55Å; F73-Y141 HydrophobicContact CE2-CD2 3.55Å; F73-Y141 HydrophobicContact CE2-CE1 4.4Å; F73-Y141 HydrophobicContact CE2-CE2 4.03Å; F73-Y141 AromaticContact CE2-CG 3.52Å; F73-Y141 HydrophobicContact CE2-CG 3.52Å; F73-Y141 AromaticContact CZ-CD2 3.91Å; F73-Y141 HydrophobicContact CZ-CD2 3.91Å; F73-Y141 HydrophobicContact CZ-CE2 4.25Å; F73-Y141 HydrophobicContact CZ-CG 4.33Å; F73-Y145 HydrophobicContact CB-CD1 4.18Å; F73-Y145 HydrophobicContact CB-CD2 4.04Å; F73-Y145 HydrophobicContact CB-CG 3.8Å; F73-Y145 AromaticContact CD2-CD2 3.74Å; F73-Y145 HydrophobicContact CD2-CD2 3.74Å; F73-Y145 AromaticContact CD2-CE2 3.73Å; F73-Y145 HydrophobicContact CD2-CE2 3.73Å; F73-Y145 HydrophobicContact CD2-CG 4.31Å; F73-Y145 HydrophobicContact CE2-CE2 4.45Å; F73-Y145 HydrophobicContact CG-CD2 4.37Å; F73-Y147 PolarHBondContact N-O 3.21Å; F73-F148 HydrophobicContact CB-CD1 3.62Å; F73-F148 HydrophobicContact CB-CE1 3.83Å; F73-F148 HydrophobicContact CB-CG 4.46Å; F73-F148 HydrophobicContact CD1-CD1 4.12Å; F73-F148 AromaticContact CG-CD1 3.96Å; F73-F148 HydrophobicContact CG-CD1 3.96Å; F73-F148 HydrophobicContact CG-CE1 4.13Å; F73-F148 CarbonylContact O-C 3.58Å; F73-F148 VanDerWaalsContact O-CA 3.28Å; F73-F148 WeakPolarHBondContact O-CA 3.34Å; F73-M149 PolarHBondContact O-N 2.87Å
74	C	98.8	Very high	95.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.2	176.8	-63	0	0	0	0	111.2	I76 W94 C98 K100 Y101 L102 M149	C74-I76 HydrophobicContact CB-CD1 3.99Å; C74-W94 HydrophobicContact CB-CZ3 4.4Å; C74-C98 HydrophobicContact CB-CB 3.76Å; C74-C98 WeakPolarHBondContact CB-SG 3.44Å; C74-C98 WeakPolarHBondContact SG-CB 3.22Å; C74-C98 CovalentContact SG-SG 2.03Å; C74-C98 PolarHBondContact SG-SG 3.06Å; C74-K100 PolarHBondContact N-O 3.42Å; C74-Y101 CarbonylContact O-C 3.48Å; C74-Y101 WeakPolarHBondContact O-CA 3.34Å; C74-L102 PolarHBondContact O-N 3.5Å; C74-M149 CarbonylContact C-O 3.5Å; C74-M149 VanDerWaalsContact CA-O 3.32Å; C74-M149 WeakPolarHBondContact CA-O 3.3Å
75	W	98.5	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.1	166.8	66.8	69.9	0	0	0	109.9	F73 I104 I134 I137 F148 M149 K150 A151 Y196 L198 L203	F73-W75 HydrophobicContact CD1-CE3 4.37Å; F73-W75 HydrophobicContact CE1-CB 4.17Å; W75-I104 HydrophobicContact CB-CD1 4.14Å; W75-I104 HydrophobicContact CB-CG1 3.94Å; W75-I134 HydrophobicContact CH2-CG1 3.94Å; W75-I134 HydrophobicContact CZ2-CG1 4.03Å; W75-I137 HydrophobicContact CB-CD1 3.63Å; W75-I137 HydrophobicContact CD2-CD1 3.67Å; W75-I137 HydrophobicContact CE3-CD1 3.19Å; W75-I137 HydrophobicContact CE3-CG1 4.39Å; W75-I137 HydrophobicContact CE3-CG2 4.2Å; W75-I137 HydrophobicContact CG-CD1 3.9Å; W75-I137 HydrophobicContact CZ3-CB 4.48Å; W75-I137 HydrophobicContact CZ3-CD1 3.89Å; W75-I137 HydrophobicContact CZ3-CG2 4.13Å; W75-F148 HydrophobicContact CE3-CB 3.93Å; W75-F148 HydrophobicContact CE3-CD1 4.41Å; W75-F148 HydrophobicContact CH2-CB 3.92Å; W75-F148 HydrophobicContact CZ3-CB 3.36Å; W75-F148 HydrophobicContact CZ3-CD1 4.05Å; W75-F148 HydrophobicContact CZ3-CG 4.02Å; W75-M149 PolarHBondContact N-O 2.97Å; W75-K150 HydrophobicContact CZ2-CB 4.3Å; W75-K150 WeakPolarHBondContact O-CA 3.09Å; W75-A151 PolarHBondContact O-N 3.42Å; W75-A151 VanDerWaalsContact O-N 3.08Å; W75-Y196 HydrophobicContact CZ2-CE2 4.38Å; W75-L198 HydrophobicContact CH2-CD1 3.7Å; W75-L198 HydrophobicContact CZ2-CD1 4.02Å; W75-L203 HydrophobicContact CH2-CD1 3.51Å; W75-L203 HydrophobicContact CZ3-CD1 3.57Å
76	I	98.5	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.8	-172.6	-58.2	91.6	0	0	0	108.7	C74 T78 V90 W94 L102 F103 I104 A151 D153	C74-I76 HydrophobicContact CB-CD1 3.99Å; I76-T78 PolarHBondContact O-N 3.45Å; I76-V90 HydrophobicContact CG1-CG1 4.31Å; I76-V90 HydrophobicContact CG2-CG1 4.35Å; I76-W94 HydrophobicContact CD1-CH2 4.14Å; I76-W94 HydrophobicContact CG1-CH2 3.53Å; I76-W94 HydrophobicContact CG1-CZ2 4.12Å; I76-W94 HydrophobicContact CG1-CZ3 4.41Å; I76-L102 PolarHBondContact N-O 3.35Å; I76-F103 HydrophobicContact CB-CD1 3.79Å; I76-F103 HydrophobicContact CB-CE1 3.96Å; I76-F103 HydrophobicContact CG1-CE1 4.46Å; I76-F103 HydrophobicContact CG2-CD1 3.88Å; I76-F103 HydrophobicContact CG2-CE1 3.84Å; I76-F103 CarbonylContact O-C 3.51Å; I76-F103 WeakPolarHBondContact O-CA 3.38Å; I76-I104 PolarHBondContact O-N 2.84Å; I76-A151 CarbonylContact C-O 3.58Å; I76-A151 WeakPolarHBondContact CA-O 3.1Å; I76-D153 HydrophobicContact CG2-CB 4.48Å
77	L	97.5	Very high	97.2	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130	176.4	-58	-169.7	0	0	0	110	I104 K129 K150 A151 D153	L77-I104 HydrophobicContact CD2-CB 3.72Å; L77-I104 HydrophobicContact CD2-CG1 4.08Å; L77-I104 HydrophobicContact CD2-CG2 4.04Å; L77-K129 HydrophobicContact CD2-CD 4.01Å; L77-K129 HydrophobicContact CD2-CG 4.28Å; L77-K150 VanDerWaalsContact CD1-CE 3.48Å; L77-A151 PolarHBondContact N-O 2.82Å; L77-D153 PolarHBondContact O-N 3.1Å
78	T	97.2	Very high	97.3	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.031	22%	0.218	C	C	.	.			trans	-146.9	-175.2	174	-166.8	0	0	0	0	110.2	I76 N82 A87 F103 I104 K129 D153	I76-T78 PolarHBondContact O-N 3.45Å; T78-N82 WeakPolarHBondContact OG1-CB 3.39Å; T78-A87 HydrophobicContact CG2-CB 4.36Å; T78-F103 HydrophobicContact CG2-CB 3.96Å; T78-F103 HydrophobicContact CG2-CD1 4.24Å; T78-I104 PolarHBondContact N-O 3.42Å; T78-K129 PolarHBondContact O-NZ 3.29Å; T78-D153 VanDerWaalsContact CA-OD2 3.32Å; T78-D153 WeakPolarHBondContact CA-OD2 3.38Å; T78-D153 VanDerWaalsContact CB-OD2 3.3Å; T78-D153 WeakPolarHBondContact CB-OD2 3.24Å; T78-D153 PolarHBondContact OG1-OD2 3.48Å
79	M	96.5	Very high	97.5	Very high	71 Å²	71	37.6 Å²	37.6	35%	0.35	19%	0.191	S	C	.	.			trans	-143	160.3	173.6	54.4	-179.4	150.6	0	0	110.1	T81 N82 H83 E121	M79-T81 VanDerWaalsContact C-N 3.26Å; M79-T81 PolarHBondContact O-N 2.87Å; M79-T81 VanDerWaalsContact O-N 3.14Å; M79-N82 VanDerWaalsContact CE-ND2 3.27Å; M79-N82 WeakPolarHBondContact CE-ND2 3.4Å; M79-N82 HydrophobicContact CG-CB 3.97Å; M79-N82 WeakPolarHBondContact O-CA 3.33Å; M79-N82 WeakPolarHBondContact O-CB 3.48Å; M79-N82 PolarHBondContact O-N 3.24Å; M79-H83 PolarHBondContact O-CD2 2.97Å; M79-H83 PolarHBondContact O-N 2.89Å; M79-E121 HydrophobicContact CB-CB 4.43Å; M79-E121 VanDerWaalsContact CB-CD 3.48Å; M79-E121 HydrophobicContact CB-CG 3.71Å
80	P	95.9	Very high	97.7	Very high	33 Å²	33	32.5 Å²	32.5	21%	0.214	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-53	-40.3	-173.8	-28.2	36.7	0	0	0	114.3	N82 H83 S106 E107	P80-N82 PolarHBondContact O-N 2.72Å; P80-H83 WeakPolarHBondContact O-CB 3.4Å; P80-H83 PolarHBondContact O-N 3.13Å; P80-S106 WeakPolarHBondContact CD-OG 3.48Å; P80-S106 WeakPolarHBondContact CG-OG 3.38Å; P80-E107 HydrophobicContact CB-CB 4.41Å; P80-E107 HydrophobicContact CB-CG 4.37Å; P80-E107 HydrophobicContact CG-CB 3.77Å; P80-E107 HydrophobicContact CG-CG 3.63Å
81	T	96.4	Very high	97.7	Very high	109 Å²	109	36.2 Å²	36.2	67%	0.669	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-65.2	-22.8	176.6	51.2	0	0	0	0	113.8	M79 S85	M79-T81 VanDerWaalsContact C-N 3.26Å; M79-T81 PolarHBondContact O-N 2.87Å; M79-T81 VanDerWaalsContact O-N 3.14Å; T81-S85 PolarHBondContact O-OG 3.27Å
82	N	97.1	Very high	97.6	Very high	21 Å²	21	35 Å²	35	11%	0.112	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-95.7	-7.5	178.9	-75.1	0.4	0	0	0	113.9	T78 M79 P80 K84 S85 K86 A87 D153	T78-N82 WeakPolarHBondContact OG1-CB 3.39Å; M79-N82 VanDerWaalsContact CE-ND2 3.27Å; M79-N82 WeakPolarHBondContact CE-ND2 3.4Å; M79-N82 HydrophobicContact CG-CB 3.97Å; M79-N82 WeakPolarHBondContact O-CA 3.33Å; M79-N82 WeakPolarHBondContact O-CB 3.48Å; M79-N82 PolarHBondContact O-N 3.24Å; P80-N82 PolarHBondContact O-N 2.72Å; N82-K84 PolarHBondContact O-N 3.07Å; N82-S85 WeakPolarHBondContact CA-OG 3.5Å; N82-S85 PolarHBondContact O-N 3.04Å; N82-K86 HydrophobicContact CB-CB 4.24Å; N82-K86 HydrophobicContact CB-CD 4.36Å; N82-K86 HydrophobicContact CB-CG 4.44Å; N82-K86 WeakPolarHBondContact O-CA 3.36Å; N82-K86 PolarHBondContact O-N 3.41Å; N82-A87 PolarHBondContact O-N 3.29Å; N82-D153 WeakPolarHBondContact CB-OD2 3.4Å; N82-D153 PolarHBondContact ND2-OD1 3.26Å; N82-D153 PolarHBondContact ND2-OD2 2.89Å
83	H	97.2	Very high	97.6	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.032	19%	0.193	C	C	.	.	I	π-helix	trans	-55.9	-52	-177.2	-72.2	179.2	0	0	0	111.5	M79 P80 V88 S105 E107 D109 L112	M79-H83 PolarHBondContact O-CD2 2.97Å; M79-H83 PolarHBondContact O-N 2.89Å; P80-H83 WeakPolarHBondContact O-CB 3.4Å; P80-H83 PolarHBondContact O-N 3.13Å; H83-V88 WeakPolarHBondContact O-CG1 3.33Å; H83-V88 PolarHBondContact O-N 2.68Å; H83-V88 VanDerWaalsContact O-N 3.12Å; H83-S105 PolarHBondContact CE1-OG 2.85Å; H83-S105 PolarHBondContact NE2-OG 3.49Å; H83-E107 PolarHBondContact CE1-O 3.34Å; H83-D109 IonicContact CG-OD2 3.59Å; H83-D109 WeakPolarHBondContact ND1-CB 3.45Å; H83-D109 IonicContact ND1-OD2 2.7Å; H83-D109 PolarHBondContact ND1-OD2 2.97Å; H83-L112 HydrophobicContact CB-CD1 3.69Å
84	K	96.2	Very high	97.6	Very high	145 Å²	145	35.3 Å²	35.3	63%	0.63	19%	0.193	S	C	*	.	I	π-helix	trans	-79.3	-29.6	180	-69.2	-178.4	179.7	173.9	0	114.1	N82 V88 R111	N82-K84 PolarHBondContact O-N 3.07Å; K84-V88 WeakPolarHBondContact O-CG2 3.03Å; K84-R111 VanDerWaalsContact CG-NH2 3.34Å
85	S	97.3	Very high	97.5	Very high	55 Å²	55	35.2 Å²	35.2	39%	0.385	19%	0.192	S	C	.	.	I	π-helix	trans	-94.8	-17.4	-172	56.1	0	0	0	0	113.9	T81 N82 H89 P299	T81-S85 PolarHBondContact O-OG 3.27Å; N82-S85 WeakPolarHBondContact CA-OG 3.5Å; N82-S85 PolarHBondContact O-N 3.04Å; S85-H89 PolarHBondContact O-CD2 2.9Å; S85-P299 VanDerWaalsContact O-CG 3.25Å; S85-P299 WeakPolarHBondContact O-CG 3.19Å
86	K	98	Very high	97.4	Very high	53 Å²	53	37.7 Å²	37.7	23%	0.23	22%	0.218	C	C	.	.	I	π-helix	trans	-136.8	-58.1	-178.2	-66.4	-167.4	-179.5	-171.6	0	113.4	N82 V88 H89 V90 D153 D154	N82-K86 HydrophobicContact CB-CB 4.24Å; N82-K86 HydrophobicContact CB-CD 4.36Å; N82-K86 HydrophobicContact CB-CG 4.44Å; N82-K86 WeakPolarHBondContact O-CA 3.36Å; N82-K86 PolarHBondContact O-N 3.41Å; K86-V88 VanDerWaalsContact C-N 3.31Å; K86-V88 PolarHBondContact O-N 3.41Å; K86-H89 WeakPolarHBondContact O-CB 3.19Å; K86-H89 PolarHBondContact O-N 2.79Å; K86-V90 PolarHBondContact O-N 2.97Å; K86-D153 HydrophobicContact CB-CB 4.01Å; K86-D153 HydrophobicContact CD-CB 4.35Å; K86-D153 WeakPolarHBondContact CD-OD1 3.37Å; K86-D153 IonicContact NZ-OD1 2.86Å; K86-D153 PolarHBondContact NZ-OD1 3Å; K86-D154 HydrophobicContact CD-CB 4.42Å; K86-D154 IonicContact NZ-OD2 3.53Å; K86-D154 PolarHBondContact NZ-OD2 2.85Å
87	A	97.9	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-61.3	-35.1	-170	0	0	0	0	0	113.7	T78 N82 H89 V90 K91 F103 L112	T78-A87 HydrophobicContact CG2-CB 4.36Å; N82-A87 PolarHBondContact O-N 3.29Å; A87-H89 PolarHBondContact O-N 3.09Å; A87-V90 PolarHBondContact O-N 3.43Å; A87-K91 PolarHBondContact O-N 3.06Å; A87-F103 HydrophobicContact CB-CD1 3.71Å; A87-F103 HydrophobicContact CB-CE1 3.63Å; A87-F103 HydrophobicContact CB-CG 4.43Å; A87-F103 HydrophobicContact CB-CZ 4.3Å; A87-F103 VanDerWaalsContact O-CZ 3.23Å; A87-F103 WeakPolarHBondContact O-CZ 3.32Å; A87-L112 HydrophobicContact CB-CD1 3.63Å
88	V	97.7	Very high	97.4	Very high	43 Å²	43	40 Å²	40	26%	0.261	23%	0.227	S	C	.	.	H	α-helix	trans	-59.9	-31.5	172.9	-71.6	0	0	0	0	113.4	H83 K84 K86 K91 A92 L112	H83-V88 WeakPolarHBondContact O-CG1 3.33Å; H83-V88 PolarHBondContact O-N 2.68Å; H83-V88 VanDerWaalsContact O-N 3.12Å; K84-V88 WeakPolarHBondContact O-CG2 3.03Å; K86-V88 VanDerWaalsContact C-N 3.31Å; K86-V88 PolarHBondContact O-N 3.41Å; V88-K91 PolarHBondContact O-N 2.94Å; V88-A92 VanDerWaalsContact O-CB 3.31Å; V88-A92 WeakPolarHBondContact O-CB 3.42Å; V88-A92 PolarHBondContact O-N 3.39Å; V88-L112 HydrophobicContact CG1-CD2 3.94Å; V88-L112 HydrophobicContact CG1-CG 4.49Å
89	H	98.3	Very high	97.5	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.19	24%	0.242	C	C	.	.	H	α-helix	trans	-77.8	-36.7	179.8	-56.2	-64	0	0	0	111.3	S85 K86 A87 K91 A92 T93 P299 M302 Y303	S85-H89 PolarHBondContact O-CD2 2.9Å; K86-H89 WeakPolarHBondContact O-CB 3.19Å; K86-H89 PolarHBondContact O-N 2.79Å; A87-H89 PolarHBondContact O-N 3.09Å; H89-K91 VanDerWaalsContact C-N 3.35Å; H89-A92 PolarHBondContact O-N 3.29Å; H89-T93 WeakPolarHBondContact O-CG2 3.5Å; H89-T93 PolarHBondContact O-N 3.37Å; H89-T93 VanDerWaalsContact O-N 3.12Å; H89-T93 PolarHBondContact O-OG1 2.04Å; H89-P299 HydrophobicContact CB-CB 4.35Å; H89-P299 VanDerWaalsContact CD2-CB 3.45Å; H89-P299 WeakPolarHBondContact CD2-CB 3.42Å; H89-M302 HydrophobicContact CB-SD 3.71Å; H89-Y303 HydrophobicContact CB-CE2 4.25Å; H89-Y303 AromaticContact ND1-CE2 3.32Å; H89-Y303 VanDerWaalsContact ND1-CE2 3.32Å; H89-Y303 WeakPolarHBondContact ND1-CE2 3.26Å; H89-Y303 AromaticContact ND1-CZ 3.53Å; H89-Y303 PolarHBondContact ND1-OH 3.43Å
90	V	98.5	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-46	168.3	170.7	0	0	0	0	110.9	I76 K86 A87 A92 T93 W94 A95 F103 M302	I76-V90 HydrophobicContact CG1-CG1 4.31Å; I76-V90 HydrophobicContact CG2-CG1 4.35Å; K86-V90 PolarHBondContact O-N 2.97Å; A87-V90 PolarHBondContact O-N 3.43Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.43Å; V90-T93 PolarHBondContact O-N 3.5Å; V90-W94 HydrophobicContact CG1-CD2 4.26Å; V90-W94 VanDerWaalsContact CG1-CE2 3.48Å; V90-W94 HydrophobicContact CG1-CH2 4.05Å; V90-W94 HydrophobicContact CG1-CZ2 3.38Å; V90-W94 HydrophobicContact CG2-CZ2 4.43Å; V90-W94 PolarHBondContact O-N 2.87Å; V90-A95 HydrophobicContact CG1-CB 3.83Å; V90-A95 WeakPolarHBondContact O-CB 3.35Å; V90-A95 PolarHBondContact O-N 3.06Å; V90-A95 VanDerWaalsContact O-N 3.15Å; V90-F103 HydrophobicContact CB-CE1 4.04Å; V90-F103 HydrophobicContact CB-CZ 4.15Å; V90-F103 HydrophobicContact CG1-CE1 3.87Å; V90-F103 HydrophobicContact CG1-CZ 3.94Å; V90-M302 HydrophobicContact CG2-CE 3.6Å; V90-M302 HydrophobicContact CG2-SD 3.84Å
91	K	97.8	Very high	97.7	Very high	83 Å²	83	44 Å²	44	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-40	175.4	-178	-178.5	176.9	-168.8	0	112.4	A87 V88 H89 T93 Y101 F103 R111 L112	A87-K91 PolarHBondContact O-N 3.06Å; V88-K91 PolarHBondContact O-N 2.94Å; H89-K91 VanDerWaalsContact C-N 3.35Å; K91-T93 VanDerWaalsContact C-N 3.29Å; K91-T93 PolarHBondContact O-N 3.04Å; K91-Y101 HydrophobicContact CG-CE2 4.27Å; K91-F103 HydrophobicContact CB-CE2 4.09Å; K91-F103 HydrophobicContact CB-CZ 4Å; K91-R111 PolarHBondContact NZ-O 3.07Å; K91-L112 HydrophobicContact CB-CD2 4.27Å; K91-L112 HydrophobicContact CD-CD2 3.81Å
92	A	97.5	Very high	97.8	Very high	60 Å²	60	39.2 Å²	39.2	50%	0.496	21%	0.211	S	C	.	.	H	α-helix	trans	-78.4	-9.2	-177.7	0	0	0	0	0	114.2	V88 H89 V90 Y303	V88-A92 VanDerWaalsContact O-CB 3.31Å; V88-A92 WeakPolarHBondContact O-CB 3.42Å; V88-A92 PolarHBondContact O-N 3.39Å; H89-A92 PolarHBondContact O-N 3.29Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 3.43Å; A92-Y303 HydrophobicContact CB-CE1 4.22Å
93	T	97.9	Very high	97.8	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.037	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-103	-177.1	56.6	0	0	0	0	110.9	H89 V90 K91 R97 M302 Y303 E306	H89-T93 WeakPolarHBondContact O-CG2 3.5Å; H89-T93 PolarHBondContact O-N 3.37Å; H89-T93 VanDerWaalsContact O-N 3.12Å; H89-T93 PolarHBondContact O-OG1 2.04Å; V90-T93 PolarHBondContact O-N 3.5Å; K91-T93 VanDerWaalsContact C-N 3.29Å; K91-T93 PolarHBondContact O-N 3.04Å; T93-R97 PolarHBondContact O-NH1 3.43Å; T93-R97 VanDerWaalsContact O-NH1 3.15Å; T93-M302 HydrophobicContact CG2-CB 4.13Å; T93-Y303 HydrophobicContact CG2-CD1 3.93Å; T93-Y303 HydrophobicContact CG2-CE1 4.04Å; T93-Y303 HydrophobicContact CG2-CG 4.46Å; T93-E306 HydrophobicContact CG2-CB 4.18Å; T93-E306 HydrophobicContact CG2-CG 4.45Å
94	W	97.9	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-79.6	-26.6	-165.3	65.4	-97.9	0	0	0	114.7	C74 I76 V90 G96 R97 A151 S155 Y156 V157 V159	C74-W94 HydrophobicContact CB-CZ3 4.4Å; I76-W94 HydrophobicContact CD1-CH2 4.14Å; I76-W94 HydrophobicContact CG1-CH2 3.53Å; I76-W94 HydrophobicContact CG1-CZ2 4.12Å; I76-W94 HydrophobicContact CG1-CZ3 4.41Å; V90-W94 HydrophobicContact CG1-CD2 4.26Å; V90-W94 VanDerWaalsContact CG1-CE2 3.48Å; V90-W94 HydrophobicContact CG1-CH2 4.05Å; V90-W94 HydrophobicContact CG1-CZ2 3.38Å; V90-W94 HydrophobicContact CG2-CZ2 4.43Å; V90-W94 PolarHBondContact O-N 2.87Å; W94-G96 PolarHBondContact O-N 3.31Å; W94-G96 VanDerWaalsContact O-N 3.16Å; W94-R97 WeakPolarHBondContact O-CB 3.46Å; W94-R97 PolarHBondContact O-N 3.39Å; W94-A151 HydrophobicContact CH2-CB 3.68Å; W94-A151 HydrophobicContact CZ2-CB 4Å; W94-S155 PolarHBondContact NE1-O 2.67Å; W94-Y156 HydrophobicContact CB-CE1 4.29Å; W94-Y156 HydrophobicContact CB-CE2 4.19Å; W94-Y156 AromaticContact CD1-CD2 3.62Å; W94-Y156 AromaticContact CD1-CE2 3.98Å; W94-Y156 AromaticContact CD1-CG 3.96Å; W94-Y156 HydrophobicContact CG-CD2 4.41Å; W94-Y156 HydrophobicContact CG-CE2 4.49Å; W94-V157 WeakPolarHBondContact CB-O 3.38Å; W94-V157 HydrophobicContact CD2-CB 4.03Å; W94-V157 HydrophobicContact CD2-CG2 4.37Å; W94-V157 HydrophobicContact CE3-CB 3.75Å; W94-V157 HydrophobicContact CE3-CG2 4.18Å; W94-V157 HydrophobicContact CH2-CB 4.38Å; W94-V157 HydrophobicContact CH2-CG2 3.91Å; W94-V157 HydrophobicContact CZ2-CG2 4.08Å; W94-V157 HydrophobicContact CZ3-CB 3.95Å; W94-V157 HydrophobicContact CZ3-CG2 3.97Å; W94-V159 HydrophobicContact CE3-CG2 4.41Å
95	A	98.2	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.6	-31.5	-172.3	0	0	0	0	0	113.1	V90 R97 C98 Y101	V90-A95 HydrophobicContact CG1-CB 3.83Å; V90-A95 WeakPolarHBondContact O-CB 3.35Å; V90-A95 PolarHBondContact O-N 3.06Å; V90-A95 VanDerWaalsContact O-N 3.15Å; A95-R97 PolarHBondContact O-N 2.87Å; A95-R97 VanDerWaalsContact O-N 3.15Å; A95-C98 WeakPolarHBondContact O-CB 3.3Å; A95-C98 PolarHBondContact O-N 2.98Å; A95-C98 VanDerWaalsContact O-N 3.11Å; A95-Y101 HydrophobicContact CB-CD1 4.18Å; A95-Y101 HydrophobicContact CB-CD2 4.03Å; A95-Y101 HydrophobicContact CB-CE1 4.44Å; A95-Y101 HydrophobicContact CB-CE2 4.3Å; A95-Y101 HydrophobicContact CB-CG 3.97Å; A95-Y101 WeakPolarHBondContact O-CD1 3.34Å
96	G	96.7	Very high	97.8	Very high	52 Å²	52	29 Å²	29	54%	0.536	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-63.1	-14.8	176.4	0	0	0	0	0	114.7	W94	W94-G96 PolarHBondContact O-N 3.31Å; W94-G96 VanDerWaalsContact O-N 3.16Å
97	R	97	Very high	97.6	Very high	48 Å²	48	32 Å²	32	18%	0.181	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-82.9	-15.5	175.9	-65.1	168	167.1	81.1	1.3	113.1	T93 W94 A95 V159 E160 R163 E306 Y310	T93-R97 PolarHBondContact O-NH1 3.43Å; T93-R97 VanDerWaalsContact O-NH1 3.15Å; W94-R97 WeakPolarHBondContact O-CB 3.46Å; W94-R97 PolarHBondContact O-N 3.39Å; A95-R97 PolarHBondContact O-N 2.87Å; A95-R97 VanDerWaalsContact O-N 3.15Å; R97-V159 HydrophobicContact CB-CB 3.88Å; R97-V159 HydrophobicContact CB-CG2 3.76Å; R97-E160 VanDerWaalsContact CD-OE1 3.25Å; R97-E160 WeakPolarHBondContact CD-OE1 3.28Å; R97-E160 WeakPolarHBondContact CD-OE2 3.37Å; R97-E160 IonicContact NE-OE1 2.6Å; R97-E160 PolarHBondContact NE-OE1 3.37Å; R97-R163 PolarHBondContact O-NH1 3.31Å; R97-R163 VanDerWaalsContact O-NH1 3.09Å; R97-R163 PolarHBondContact O-NH2 3.4Å; R97-E306 IonicContact CZ-OE1 2.87Å; R97-E306 IonicContact CZ-OE2 3.42Å; R97-E306 VanDerWaalsContact NH1-CD 3.31Å; R97-E306 IonicContact NH1-OE1 3.24Å; R97-E306 PolarHBondContact NH1-OE1 2.85Å; R97-E306 IonicContact NH1-OE2 3.94Å; R97-E306 PolarHBondContact NH1-OE2 2.78Å; R97-E306 IonicContact NH2-OE1 3.52Å; R97-E306 PolarHBondContact NH2-OE1 3.32Å; R97-E306 IonicContact NH2-OE2 3.49Å; R97-Y310 VanDerWaalsContact CZ-CE2 3.43Å; R97-Y310 PolarHBondContact NE-OH 2.83Å; R97-Y310 VanDerWaalsContact NH2-CD1 3.32Å; R97-Y310 VanDerWaalsContact NH2-CE2 3.3Å
98	C	98.5	Very high	97.4	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.061	21%	0.205	C	C	.	.	S	Bend	trans	-72.5	150.1	169.5	-52.4	0	0	0	0	109.9	C74 A95 K100	C74-C98 HydrophobicContact CB-CB 3.76Å; C74-C98 WeakPolarHBondContact CB-SG 3.44Å; C74-C98 WeakPolarHBondContact SG-CB 3.22Å; C74-C98 CovalentContact SG-SG 2.03Å; C74-C98 PolarHBondContact SG-SG 3.06Å; A95-C98 WeakPolarHBondContact O-CB 3.3Å; A95-C98 PolarHBondContact O-N 2.98Å; A95-C98 VanDerWaalsContact O-N 3.11Å; C98-K100 WeakPolarHBondContact CB-O 3.21Å; C98-K100 PolarHBondContact O-N 2.88Å
99	N	98.3	Very high	97.1	Very high	62 Å²	62	35.9 Å²	35.9	33%	0.332	20%	0.198	S	C	.	.	S	Bend	trans	-65.6	-30.5	177	-62.9	77.7	0	0	0	111.3	A67 R71 V72 Y145 R163	A67-N99 PolarHBondContact O-ND2 3Å; R71-N99 WeakPolarHBondContact CA-OD1 3.5Å; V72-N99 PolarHBondContact N-OD1 3.41Å; V72-N99 WeakPolarHBondContact O-CB 3.39Å; V72-N99 PolarHBondContact O-N 3.45Å; N99-Y145 HydrophobicContact CB-CD1 3.96Å; N99-Y145 HydrophobicContact CB-CE1 3.71Å; N99-R163 PolarHBondContact OD1-NH2 3.06Å
100	K	98.3	Very high	96.6	Very high	80 Å²	80	43.6 Å²	43.6	35%	0.348	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.9	169.6	-173.8	71.6	175.6	-174.9	0	109	F73 C74 C98 Y145	F73-K100 CarbonylContact C-O 3.51Å; F73-K100 WeakPolarHBondContact CA-O 3.4Å; F73-K100 HydrophobicContact CD2-CB 3.74Å; F73-K100 HydrophobicContact CD2-CG 3.76Å; F73-K100 HydrophobicContact CE2-CB 4.08Å; F73-K100 HydrophobicContact CE2-CG 3.54Å; F73-K100 HydrophobicContact CZ-CG 4.42Å; C74-K100 PolarHBondContact N-O 3.42Å; C98-K100 WeakPolarHBondContact CB-O 3.21Å; C98-K100 PolarHBondContact O-N 2.88Å; K100-Y145 HydrophobicContact CB-CE1 3.59Å; K100-Y145 HydrophobicContact CB-CE2 4.15Å; K100-Y145 VanDerWaalsContact CB-OH 3.25Å; K100-Y145 WeakPolarHBondContact CB-OH 3.24Å
101	Y	98.4	Very high	96.1	Very high	49 Å²	49	49.3 Å²	49.3	19%	0.192	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.8	170.9	62.6	-87.8	0	0	0	112.1	C74 K91 A95 F103 P113	C74-Y101 CarbonylContact O-C 3.48Å; C74-Y101 WeakPolarHBondContact O-CA 3.34Å; K91-Y101 HydrophobicContact CG-CE2 4.27Å; A95-Y101 HydrophobicContact CB-CD1 4.18Å; A95-Y101 HydrophobicContact CB-CD2 4.03Å; A95-Y101 HydrophobicContact CB-CE1 4.44Å; A95-Y101 HydrophobicContact CB-CE2 4.3Å; A95-Y101 HydrophobicContact CB-CG 3.97Å; A95-Y101 WeakPolarHBondContact O-CD1 3.34Å; Y101-F103 HydrophobicContact CD2-CD2 4.42Å; Y101-F103 AromaticContact CD2-CE2 3.9Å; Y101-F103 HydrophobicContact CD2-CE2 3.9Å; Y101-F103 AromaticContact CE2-CE2 3.83Å; Y101-F103 HydrophobicContact CE2-CE2 3.83Å; Y101-P113 HydrophobicContact CD2-CG 3.79Å; Y101-P113 HydrophobicContact CE2-CG 3.42Å; Y101-P113 VanDerWaalsContact CE2-CG 3.42Å
102	L	98.1	Very high	95.9	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.8	170.2	-66.8	-178.2	0	0	0	110.4	F73 C74 I76 I104 P113 I115 Y136 Y141	F73-L102 HydrophobicContact CE1-CG 4.43Å; F73-L102 HydrophobicContact CZ-CB 4.24Å; F73-L102 HydrophobicContact CZ-CD1 3.69Å; F73-L102 HydrophobicContact CZ-CG 3.69Å; C74-L102 PolarHBondContact O-N 3.5Å; I76-L102 PolarHBondContact N-O 3.35Å; L102-I104 HydrophobicContact CB-CD1 4.26Å; L102-P113 WeakPolarHBondContact CA-O 3.2Å; L102-P113 HydrophobicContact CD2-CB 4.1Å; L102-P113 WeakPolarHBondContact CD2-O 3.4Å; L102-I115 HydrophobicContact CD1-CD1 3.92Å; L102-I115 HydrophobicContact CD1-CG1 4.43Å; L102-I115 HydrophobicContact CD1-CG2 4.3Å; L102-Y136 HydrophobicContact CD1-CD1 4.38Å; L102-Y136 HydrophobicContact CD1-CE1 3.88Å; L102-Y141 HydrophobicContact CD1-CE2 3.83Å
103	F	98.3	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.6	169	-68.9	-84.3	0	0	0	109.9	I76 T78 A87 V90 K91 Y101 L112 P113 S114 I115	I76-F103 HydrophobicContact CB-CD1 3.79Å; I76-F103 HydrophobicContact CB-CE1 3.96Å; I76-F103 HydrophobicContact CG1-CE1 4.46Å; I76-F103 HydrophobicContact CG2-CD1 3.88Å; I76-F103 HydrophobicContact CG2-CE1 3.84Å; I76-F103 CarbonylContact O-C 3.51Å; I76-F103 WeakPolarHBondContact O-CA 3.38Å; T78-F103 HydrophobicContact CG2-CB 3.96Å; T78-F103 HydrophobicContact CG2-CD1 4.24Å; A87-F103 HydrophobicContact CB-CD1 3.71Å; A87-F103 HydrophobicContact CB-CE1 3.63Å; A87-F103 HydrophobicContact CB-CG 4.43Å; A87-F103 HydrophobicContact CB-CZ 4.3Å; A87-F103 VanDerWaalsContact O-CZ 3.23Å; A87-F103 WeakPolarHBondContact O-CZ 3.32Å; V90-F103 HydrophobicContact CB-CE1 4.04Å; V90-F103 HydrophobicContact CB-CZ 4.15Å; V90-F103 HydrophobicContact CG1-CE1 3.87Å; V90-F103 HydrophobicContact CG1-CZ 3.94Å; K91-F103 HydrophobicContact CB-CE2 4.09Å; K91-F103 HydrophobicContact CB-CZ 4Å; Y101-F103 HydrophobicContact CD2-CD2 4.42Å; Y101-F103 AromaticContact CD2-CE2 3.9Å; Y101-F103 HydrophobicContact CD2-CE2 3.9Å; Y101-F103 AromaticContact CE2-CE2 3.83Å; Y101-F103 HydrophobicContact CE2-CE2 3.83Å; F103-L112 HydrophobicContact CD2-CB 4.09Å; F103-L112 HydrophobicContact CD2-CD2 4.28Å; F103-L112 HydrophobicContact CE2-CD2 4.01Å; F103-L112 HydrophobicContact CZ-CD2 4.49Å; F103-P113 HydrophobicContact CD2-CG 4.06Å; F103-P113 HydrophobicContact CE2-CG 4.32Å; F103-P113 PolarHBondContact N-O 3.34Å; F103-S114 CarbonylContact O-C 3.45Å; F103-S114 WeakPolarHBondContact O-CA 3.13Å; F103-I115 PolarHBondContact O-N 2.97Å
104	I	97.8	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.2	-177.6	-47.6	-56.6	0	0	0	108.7	W75 I76 L77 T78 L102 I115 V117 K129 A133	W75-I104 HydrophobicContact CB-CD1 4.14Å; W75-I104 HydrophobicContact CB-CG1 3.94Å; I76-I104 PolarHBondContact O-N 2.84Å; L77-I104 HydrophobicContact CD2-CB 3.72Å; L77-I104 HydrophobicContact CD2-CG1 4.08Å; L77-I104 HydrophobicContact CD2-CG2 4.04Å; T78-I104 PolarHBondContact N-O 3.42Å; L102-I104 HydrophobicContact CB-CD1 4.26Å; I104-I115 HydrophobicContact CD1-CD1 3.62Å; I104-I115 HydrophobicContact CD1-CG1 3.62Å; I104-V117 HydrophobicContact CG2-CB 4.48Å; I104-V117 HydrophobicContact CG2-CG1 4.35Å; I104-V117 HydrophobicContact CG2-CG2 3.33Å; I104-K129 HydrophobicContact CG2-CD 3.97Å; I104-K129 HydrophobicContact CG2-CG 3.54Å; I104-A133 HydrophobicContact CB-CB 4.5Å; I104-A133 HydrophobicContact CD1-CB 3.94Å; I104-A133 HydrophobicContact CG1-CB 3.9Å; I104-A133 HydrophobicContact CG2-CB 3.86Å
105	S	96.9	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	179	-169	-179.2	0	0	0	0	110.7	H83 E107 I115 A116 V117	H83-S105 PolarHBondContact CE1-OG 2.85Å; H83-S105 PolarHBondContact NE2-OG 3.49Å; S105-E107 VanDerWaalsContact CB-O 3.28Å; S105-E107 WeakPolarHBondContact CB-O 3.47Å; S105-E107 PolarHBondContact OG-N 3.47Å; S105-E107 PolarHBondContact OG-O 3.18Å; S105-I115 PolarHBondContact N-O 3.17Å; S105-A116 WeakPolarHBondContact O-CA 3.49Å; S105-V117 PolarHBondContact O-N 2.88Å
106	S	95.9	Very high	95.3	Very high	15 Å²	15	48.6 Å²	48.6	11%	0.105	26%	0.257	C	S	.	.	S	Bend	trans	-89.8	-13.2	163.2	68.9	0	0	0	0	114.3	P80 A116 I118 E121	P80-S106 WeakPolarHBondContact CD-OG 3.48Å; P80-S106 WeakPolarHBondContact CG-OG 3.38Å; S106-A116 WeakPolarHBondContact O-CB 3.39Å; S106-I118 WeakPolarHBondContact CA-O 3.34Å; S106-E121 WeakPolarHBondContact CB-OE1 3.17Å; S106-E121 PolarHBondContact N-OE1 3.05Å; S106-E121 VanDerWaalsContact OG-CG 3.3Å; S106-E121 WeakPolarHBondContact OG-CG 3.3Å; S106-E121 PolarHBondContact OG-OE1 3.39Å
107	E	94.6	Very high	95.1	Very high	115 Å²	115	47.8 Å²	47.8	54%	0.537	24%	0.242	S	C	.	.	S	Bend	trans	-134.7	143	178.5	-60.2	174.9	-159.1	0	0	110.6	P80 H83 S105	P80-E107 HydrophobicContact CB-CB 4.41Å; P80-E107 HydrophobicContact CB-CG 4.37Å; P80-E107 HydrophobicContact CG-CB 3.77Å; P80-E107 HydrophobicContact CG-CG 3.63Å; H83-E107 PolarHBondContact CE1-O 3.34Å; S105-E107 VanDerWaalsContact CB-O 3.28Å; S105-E107 WeakPolarHBondContact CB-O 3.47Å; S105-E107 PolarHBondContact OG-N 3.47Å; S105-E107 PolarHBondContact OG-O 3.18Å
108	T	93.5	Very high	94.8	Very high	101 Å²	101	46.6 Å²	46.6	62%	0.62	24%	0.239	S	C	*	.			trans	-78.2	139.1	168.8	-56.7	0	0	0	0	109.5	S114	T108-S114 WeakPolarHBondContact CA-OG 3.46Å
109	D	91	Very high	94.5	Very high	23 Å²	23	53.6 Å²	53.6	12%	0.123	28%	0.276	C	S	.	.			trans	-130.1	119.4	176.8	178.3	-22.2	0	0	0	107.9	H83 R111 L112 S114	H83-D109 IonicContact CG-OD2 3.59Å; H83-D109 WeakPolarHBondContact ND1-CB 3.45Å; H83-D109 IonicContact ND1-OD2 2.7Å; H83-D109 PolarHBondContact ND1-OD2 2.97Å; D109-R111 PolarHBondContact O-N 3.42Å; D109-R111 WeakPolarHBondContact OD1-CB 3.26Å; D109-R111 IonicContact OD1-CZ 3.25Å; D109-R111 PolarHBondContact OD1-N 2.88Å; D109-R111 IonicContact OD1-NE 3.87Å; D109-R111 PolarHBondContact OD1-NE 3.27Å; D109-R111 IonicContact OD1-NH2 3.14Å; D109-R111 IonicContact OD2-CZ 3.76Å; D109-R111 IonicContact OD2-NE 3.04Å; D109-R111 IonicContact OD2-NH2 3.61Å; D109-R111 PolarHBondContact OD2-NH2 2.69Å; D109-L112 CarbonylContact O-C 3.52Å; D109-L112 PolarHBondContact O-N 3.01Å; D109-S114 PolarHBondContact N-OG 2.87Å
110	E	87	Confident	94.1	Very high	203 Å²	203	55 Å²	55	95%	0.949	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.3	-175.7	-61.9	-179.7	169.7	0	0	114.4
111	R	89.4	Confident	93.8	Very high	120 Å²	120	53.5 Å²	53.5	45%	0.453	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-15.8	-179	-58.3	168	-62	147.7	8.4	112.7	K84 K91 D109	K84-R111 VanDerWaalsContact CG-NH2 3.34Å; K91-R111 PolarHBondContact NZ-O 3.07Å; D109-R111 PolarHBondContact O-N 3.42Å; D109-R111 WeakPolarHBondContact OD1-CB 3.26Å; D109-R111 IonicContact OD1-CZ 3.25Å; D109-R111 PolarHBondContact OD1-N 2.88Å; D109-R111 IonicContact OD1-NE 3.87Å; D109-R111 PolarHBondContact OD1-NE 3.27Å; D109-R111 IonicContact OD1-NH2 3.14Å; D109-R111 IonicContact OD2-CZ 3.76Å; D109-R111 IonicContact OD2-NE 3.04Å; D109-R111 IonicContact OD2-NH2 3.61Å; D109-R111 PolarHBondContact OD2-NH2 2.69Å
112	L	93	Very high	93.3	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	146.8	176.9	-64.4	173.6	0	0	0	108.3	H83 A87 V88 K91 F103 D109 S114	H83-L112 HydrophobicContact CB-CD1 3.69Å; A87-L112 HydrophobicContact CB-CD1 3.63Å; V88-L112 HydrophobicContact CG1-CD2 3.94Å; V88-L112 HydrophobicContact CG1-CG 4.49Å; K91-L112 HydrophobicContact CB-CD2 4.27Å; K91-L112 HydrophobicContact CD-CD2 3.81Å; F103-L112 HydrophobicContact CD2-CB 4.09Å; F103-L112 HydrophobicContact CD2-CD2 4.28Å; F103-L112 HydrophobicContact CE2-CD2 4.01Å; F103-L112 HydrophobicContact CZ-CD2 4.49Å; D109-L112 CarbonylContact O-C 3.52Å; D109-L112 PolarHBondContact O-N 3.01Å; L112-S114 PolarHBondContact O-N 2.81Å
113	P	94.3	Very high	92.6	Very high	46 Å²	46	62 Å²	62	30%	0.299	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	61	166.2	32.3	-35.1	0	0	0	109.4	Y101 L102 F103	Y101-P113 HydrophobicContact CD2-CG 3.79Å; Y101-P113 HydrophobicContact CE2-CG 3.42Å; Y101-P113 VanDerWaalsContact CE2-CG 3.42Å; L102-P113 WeakPolarHBondContact CA-O 3.2Å; L102-P113 HydrophobicContact CD2-CB 4.1Å; L102-P113 WeakPolarHBondContact CD2-O 3.4Å; F103-P113 HydrophobicContact CD2-CG 4.06Å; F103-P113 HydrophobicContact CE2-CG 4.32Å; F103-P113 PolarHBondContact N-O 3.34Å
114	S	94.4	Very high	92.1	Very high	7 Å²	7	67 Å²	67	5%	0.049	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.6	-178.3	67.1	0	0	0	0	111.7	F103 T108 D109 L112	F103-S114 CarbonylContact O-C 3.45Å; F103-S114 WeakPolarHBondContact O-CA 3.13Å; T108-S114 WeakPolarHBondContact CA-OG 3.46Å; D109-S114 PolarHBondContact N-OG 2.87Å; L112-S114 PolarHBondContact O-N 2.81Å
115	I	94.4	Very high	91.8	Very high	22 Å²	22	69.3 Å²	69.3	11%	0.113	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.8	176.7	59.6	165.7	0	0	0	110.1	L102 F103 I104 S105 V117 Y136	L102-I115 HydrophobicContact CD1-CD1 3.92Å; L102-I115 HydrophobicContact CD1-CG1 4.43Å; L102-I115 HydrophobicContact CD1-CG2 4.3Å; F103-I115 PolarHBondContact O-N 2.97Å; I104-I115 HydrophobicContact CD1-CD1 3.62Å; I104-I115 HydrophobicContact CD1-CG1 3.62Å; S105-I115 PolarHBondContact N-O 3.17Å; I115-V117 HydrophobicContact CD1-CG1 3.72Å; I115-V117 HydrophobicContact CG1-CG1 4.05Å; I115-V117 PolarHBondContact O-N 3.1Å; I115-Y136 HydrophobicContact CD1-CD1 3.3Å; I115-Y136 HydrophobicContact CD1-CD2 4.39Å; I115-Y136 HydrophobicContact CD1-CE1 3.47Å; I115-Y136 VanDerWaalsContact CD1-CE1 3.47Å; I115-Y136 HydrophobicContact CD1-CG 3.8Å; I115-Y136 HydrophobicContact CG2-CE1 4.37Å
116	A	94.7	Very high	91.6	Very high	50 Å²	50	71.9 Å²	71.9	41%	0.413	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	106.6	171.5	0	0	0	0	0	109.9	S105 S106	S105-A116 WeakPolarHBondContact O-CA 3.49Å; S106-A116 WeakPolarHBondContact O-CB 3.39Å
117	V	93.2	Very high	91.6	Very high	36 Å²	36	71.9 Å²	71.9	22%	0.218	37%	0.37	C	S	.	.	S	Bend	trans	-105.3	-7.4	175.6	-59.9	0	0	0	0	112.9	I104 S105 I115 K129	I104-V117 HydrophobicContact CG2-CB 4.48Å; I104-V117 HydrophobicContact CG2-CG1 4.35Å; I104-V117 HydrophobicContact CG2-CG2 3.33Å; S105-V117 PolarHBondContact O-N 2.88Å; I115-V117 HydrophobicContact CD1-CG1 3.72Å; I115-V117 HydrophobicContact CG1-CG1 4.05Å; I115-V117 PolarHBondContact O-N 3.1Å; V117-K129 HydrophobicContact CG2-CG 3.91Å; V117-K129 WeakPolarHBondContact CG2-O 3.48Å
118	I	91.6	Very high	91.6	Very high	22 Å²	22	70.2 Å²	70.2	11%	0.113	37%	0.365	C	S	.	.	S	Bend	trans	-140.4	166.4	174.7	62.3	178	0	0	0	108.9	S106 T120 N128 K129	S106-I118 WeakPolarHBondContact CA-O 3.34Å; I118-T120 WeakPolarHBondContact CD1-O 3.23Å; I118-N128 HydrophobicContact CG2-CB 4.25Å; I118-K129 HydrophobicContact CD1-CB 3.93Å; I118-K129 HydrophobicContact CD1-CD 4.33Å; I118-K129 HydrophobicContact CD1-CG 4.06Å; I118-K129 HydrophobicContact CG2-CB 4.4Å
119	N	91	Very high	91.7	Very high	156 Å²	156	65.7 Å²	65.7	83%	0.834	34%	0.336	S	S	*	.	S	Bend	trans	-104.4	-5.4	-178.5	-60.2	-14.7	0	0	0	113.6
120	T	91.2	Very high	92	Very high	92 Å²	92	64.6 Å²	64.6	56%	0.564	33%	0.33	S	S	*	.	S	Bend	trans	-151.4	142.7	-175.9	-52.9	0	0	0	0	110.3	I118 L125	I118-T120 WeakPolarHBondContact CD1-O 3.23Å; T120-L125 HydrophobicContact CG2-CD1 4.44Å; T120-L125 WeakPolarHBondContact O-CD1 3.43Å
121	E	90.3	Very high	92.5	Very high	48 Å²	48	55.5 Å²	55.5	22%	0.224	29%	0.29	C	S	.	.			trans	-93.2	148.4	-179.6	-69.2	-66.6	174.1	0	0	112.9	M79 S106 K129	M79-E121 HydrophobicContact CB-CB 4.43Å; M79-E121 VanDerWaalsContact CB-CD 3.48Å; M79-E121 HydrophobicContact CB-CG 3.71Å; S106-E121 WeakPolarHBondContact CB-OE1 3.17Å; S106-E121 PolarHBondContact N-OE1 3.05Å; S106-E121 VanDerWaalsContact OG-CG 3.3Å; S106-E121 WeakPolarHBondContact OG-CG 3.3Å; S106-E121 PolarHBondContact OG-OE1 3.39Å; E121-K129 WeakPolarHBondContact OE1-CE 2.96Å; E121-K129 IonicContact OE1-NZ 2.87Å; E121-K129 PolarHBondContact OE1-NZ 3.08Å; E121-K129 VanDerWaalsContact OE2-CE 3.25Å; E121-K129 WeakPolarHBondContact OE2-CE 3.42Å; E121-K129 IonicContact OE2-NZ 3.65Å; E121-K129 PolarHBondContact OE2-NZ 3.48Å
122	G	88.4	Confident	92.8	Very high	24 Å²	24	50.7 Å²	50.7	25%	0.247	28%	0.278	C	S	.	.			trans	170	147	175.9	0	0	0	0	0	112.6	N124 L125 L126	G122-N124 PolarHBondContact O-N 3.13Å; G122-L125 WeakPolarHBondContact O-CA 3.21Å; G122-L125 PolarHBondContact O-N 3.44Å; G122-L126 PolarHBondContact O-N 3.22Å
123	R	84.5	Confident	93.1	Very high	212 Å²	212	50.3 Å²	50.3	80%	0.8	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-58.9	-36.5	179	-171.5	177.9	-179.3	109.1	1.8	112.1	L125 L126	R123-L125 PolarHBondContact O-N 2.85Å; R123-L126 HydrophobicContact CG-CD1 4.07Å; R123-L126 WeakPolarHBondContact O-CD1 3.35Å; R123-L126 VanDerWaalsContact O-CG 3.3Å; R123-L126 WeakPolarHBondContact O-CG 3.35Å; R123-L126 PolarHBondContact O-N 3.31Å
124	N	87.7	Confident	93.3	Very high	105 Å²	105	48.1 Å²	48.1	56%	0.561	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-73	-8.2	175.8	63.1	-50.9	0	0	0	114.1	G122	G122-N124 PolarHBondContact O-N 3.13Å
125	L	91.1	Very high	93.4	Very high	49 Å²	49	51.7 Å²	51.7	26%	0.257	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-107.4	3.8	178.7	-61	178.1	0	0	0	112.7	T120 G122 R123 W127 N128 K129	T120-L125 HydrophobicContact CG2-CD1 4.44Å; T120-L125 WeakPolarHBondContact O-CD1 3.43Å; G122-L125 WeakPolarHBondContact O-CA 3.21Å; G122-L125 PolarHBondContact O-N 3.44Å; R123-L125 PolarHBondContact O-N 2.85Å; L125-W127 VanDerWaalsContact C-N 3.27Å; L125-W127 PolarHBondContact O-N 2.94Å; L125-N128 WeakPolarHBondContact O-CB 3.43Å; L125-N128 PolarHBondContact O-N 2.87Å; L125-K129 PolarHBondContact O-N 3.26Å
126	L	92.6	Very high	93.6	Very high	54 Å²	54	54.3 Å²	54.3	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-39.6	-179.9	-71.6	173.8	0	0	0	112.2	G122 R123 K129 T130 E225	G122-L126 PolarHBondContact O-N 3.22Å; R123-L126 HydrophobicContact CG-CD1 4.07Å; R123-L126 WeakPolarHBondContact O-CD1 3.35Å; R123-L126 VanDerWaalsContact O-CG 3.3Å; R123-L126 WeakPolarHBondContact O-CG 3.35Å; R123-L126 PolarHBondContact O-N 3.31Å; L126-K129 WeakPolarHBondContact O-CB 3.47Å; L126-K129 PolarHBondContact O-N 2.78Å; L126-T130 PolarHBondContact O-N 2.98Å; L126-T130 PolarHBondContact O-OG1 3.04Å; L126-E225 HydrophobicContact CB-CB 3.73Å; L126-E225 HydrophobicContact CB-CG 4.15Å
127	W	95.1	Very high	93.8	Very high	15 Å²	15	51.9 Å²	51.9	6%	0.057	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-44.6	174.1	172.2	-114.4	0	0	0	112.6	L125 K129 T130 A131 L210 T222 K228 L229 C232	L125-W127 VanDerWaalsContact C-N 3.27Å; L125-W127 PolarHBondContact O-N 2.94Å; W127-K129 PolarHBondContact O-N 3.35Å; W127-T130 PolarHBondContact O-N 3.34Å; W127-A131 HydrophobicContact CD2-CB 4.44Å; W127-A131 HydrophobicContact CZ2-CB 4.23Å; W127-A131 VanDerWaalsContact O-CB 3.27Å; W127-A131 WeakPolarHBondContact O-CB 3.07Å; W127-A131 PolarHBondContact O-N 3.18Å; W127-L210 HydrophobicContact CH2-CD2 3.79Å; W127-L210 HydrophobicContact CZ2-CD2 3.36Å; W127-T222 WeakPolarHBondContact CB-O 3.46Å; W127-K228 HydrophobicContact CB-CG 4.41Å; W127-K228 HydrophobicContact CD2-CB 3.9Å; W127-K228 HydrophobicContact CD2-CD 4.4Å; W127-K228 HydrophobicContact CD2-CG 3.16Å; W127-K228 HydrophobicContact CE3-CB 3.89Å; W127-K228 HydrophobicContact CE3-CG 3.53Å; W127-K228 HydrophobicContact CG-CB 4.21Å; W127-K228 HydrophobicContact CG-CG 3.56Å; W127-K228 HydrophobicContact CH2-CG 3.96Å; W127-K228 HydrophobicContact CZ2-CD 4.24Å; W127-K228 HydrophobicContact CZ2-CG 3.62Å; W127-K228 HydrophobicContact CZ3-CB 4.37Å; W127-K228 HydrophobicContact CZ3-CG 3.93Å; W127-L229 HydrophobicContact CH2-CD1 4.46Å; W127-L229 HydrophobicContact CZ3-CB 3.88Å; W127-L229 HydrophobicContact CZ3-CD1 4.07Å; W127-C232 HydrophobicContact CH2-CB 4.23Å
128	N	94.6	Very high	94	Very high	81 Å²	81	51 Å²	51	43%	0.433	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-39.9	177.6	-67.3	67.2	0	0	0	110.8	I118 L125 G132	I118-N128 HydrophobicContact CG2-CB 4.25Å; L125-N128 WeakPolarHBondContact O-CB 3.43Å; L125-N128 PolarHBondContact O-N 2.87Å; N128-G132 PolarHBondContact O-N 3.49Å
129	K	96.1	Very high	94.3	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-53.1	173.6	-163.5	-178.5	-73.7	-177	0	112.2	L77 T78 I104 V117 I118 E121 L125 L126 W127 A131 G132 A133	L77-K129 HydrophobicContact CD2-CD 4.01Å; L77-K129 HydrophobicContact CD2-CG 4.28Å; T78-K129 PolarHBondContact O-NZ 3.29Å; I104-K129 HydrophobicContact CG2-CD 3.97Å; I104-K129 HydrophobicContact CG2-CG 3.54Å; V117-K129 HydrophobicContact CG2-CG 3.91Å; V117-K129 WeakPolarHBondContact CG2-O 3.48Å; I118-K129 HydrophobicContact CD1-CB 3.93Å; I118-K129 HydrophobicContact CD1-CD 4.33Å; I118-K129 HydrophobicContact CD1-CG 4.06Å; I118-K129 HydrophobicContact CG2-CB 4.4Å; E121-K129 WeakPolarHBondContact OE1-CE 2.96Å; E121-K129 IonicContact OE1-NZ 2.87Å; E121-K129 PolarHBondContact OE1-NZ 3.08Å; E121-K129 VanDerWaalsContact OE2-CE 3.25Å; E121-K129 WeakPolarHBondContact OE2-CE 3.42Å; E121-K129 IonicContact OE2-NZ 3.65Å; E121-K129 PolarHBondContact OE2-NZ 3.48Å; L125-K129 PolarHBondContact O-N 3.26Å; L126-K129 WeakPolarHBondContact O-CB 3.47Å; L126-K129 PolarHBondContact O-N 2.78Å; W127-K129 PolarHBondContact O-N 3.35Å; K129-A131 PolarHBondContact O-N 3.38Å; K129-G132 PolarHBondContact O-N 3.11Å; K129-A133 PolarHBondContact O-N 3.36Å
130	T	97.2	Very high	94.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-45	178.9	-67.3	0	0	0	0	111.1	L126 W127 G132 A133 I134 E225	L126-T130 PolarHBondContact O-N 2.98Å; L126-T130 PolarHBondContact O-OG1 3.04Å; W127-T130 PolarHBondContact O-N 3.34Å; T130-G132 VanDerWaalsContact C-N 3.34Å; T130-G132 PolarHBondContact O-N 3.3Å; T130-A133 WeakPolarHBondContact O-CB 3.41Å; T130-A133 PolarHBondContact O-N 2.98Å; T130-I134 HydrophobicContact CG2-CD1 3.67Å; T130-I134 HydrophobicContact CG2-CG1 4.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.41Å; T130-I134 PolarHBondContact O-N 3.2Å; T130-E225 WeakPolarHBondContact CB-OE1 3.35Å; T130-E225 HydrophobicContact CG2-CG 4.48Å; T130-E225 WeakPolarHBondContact CG2-OE1 3.06Å; T130-E225 VanDerWaalsContact OG1-CD 3.25Å; T130-E225 WeakPolarHBondContact OG1-CG 3.44Å; T130-E225 PolarHBondContact OG1-OE1 3.1Å
131	A	96.9	Very high	95	Very high	12 Å²	12	52.5 Å²	52.5	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-41.4	178.4	0	0	0	0	0	111.8	W127 K129 I134 K135 L210	W127-A131 HydrophobicContact CD2-CB 4.44Å; W127-A131 HydrophobicContact CZ2-CB 4.23Å; W127-A131 VanDerWaalsContact O-CB 3.27Å; W127-A131 WeakPolarHBondContact O-CB 3.07Å; W127-A131 PolarHBondContact O-N 3.18Å; K129-A131 PolarHBondContact O-N 3.38Å; A131-I134 PolarHBondContact O-N 3.16Å; A131-K135 WeakPolarHBondContact O-CG 3.36Å; A131-K135 PolarHBondContact O-N 3.49Å; A131-L210 HydrophobicContact CB-CD1 3.95Å; A131-L210 HydrophobicContact CB-CD2 3.95Å
132	G	97	Very high	95.3	Very high	20 Å²	20	50.3 Å²	50.3	21%	0.206	24%	0.243	C	C	.	.	H	α-helix	trans	-61.4	-44.4	173.1	0	0	0	0	0	112.4	N128 K129 T130 K135 Y136	N128-G132 PolarHBondContact O-N 3.49Å; K129-G132 PolarHBondContact O-N 3.11Å; T130-G132 VanDerWaalsContact C-N 3.34Å; T130-G132 PolarHBondContact O-N 3.3Å; G132-K135 PolarHBondContact O-N 3.38Å; G132-Y136 WeakPolarHBondContact O-CB 3.09Å; G132-Y136 PolarHBondContact O-N 3.06Å
133	A	98	Very high	95.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-48.7	175.1	0	0	0	0	0	112.1	I104 K129 T130 K135 Y136 I137	I104-A133 HydrophobicContact CB-CB 4.5Å; I104-A133 HydrophobicContact CD1-CB 3.94Å; I104-A133 HydrophobicContact CG1-CB 3.9Å; I104-A133 HydrophobicContact CG2-CB 3.86Å; K129-A133 PolarHBondContact O-N 3.36Å; T130-A133 WeakPolarHBondContact O-CB 3.41Å; T130-A133 PolarHBondContact O-N 2.98Å; A133-K135 PolarHBondContact O-N 3.45Å; A133-Y136 PolarHBondContact O-N 3.37Å; A133-I137 HydrophobicContact CB-CD1 4.32Å; A133-I137 WeakPolarHBondContact O-CB 3.28Å; A133-I137 WeakPolarHBondContact O-CD1 2.99Å; A133-I137 WeakPolarHBondContact O-CG1 3.41Å; A133-I137 PolarHBondContact O-N 3.12Å
134	I	98.5	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-47.8	178.3	-73.3	168.8	0	0	0	110.7	W75 T130 A131 Y136 I137 A138 L203 I206 A207 L210 L229	W75-I134 HydrophobicContact CH2-CG1 3.94Å; W75-I134 HydrophobicContact CZ2-CG1 4.03Å; T130-I134 HydrophobicContact CG2-CD1 3.67Å; T130-I134 HydrophobicContact CG2-CG1 4.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.41Å; T130-I134 PolarHBondContact O-N 3.2Å; A131-I134 PolarHBondContact O-N 3.16Å; I134-Y136 PolarHBondContact O-N 2.88Å; I134-I137 PolarHBondContact O-N 2.83Å; I134-A138 WeakPolarHBondContact O-CB 3.48Å; I134-A138 PolarHBondContact O-N 3.33Å; I134-L203 HydrophobicContact CB-CD1 4.35Å; I134-L203 HydrophobicContact CG1-CD1 4.22Å; I134-L203 HydrophobicContact CG2-CD1 3.91Å; I134-I206 HydrophobicContact CD1-CG2 3.97Å; I134-I206 HydrophobicContact CG2-CG2 4.13Å; I134-A207 HydrophobicContact CG2-CB 3.92Å; I134-L210 HydrophobicContact CB-CD1 4.24Å; I134-L210 HydrophobicContact CG2-CD1 3.94Å; I134-L229 HydrophobicContact CD1-CD1 3.69Å
135	K	98	Very high	96.9	Very high	82 Å²	82	45.8 Å²	45.8	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-61.1	-45.5	177.5	-73.1	-173.8	178.8	-158.2	0	112.3	A131 G132 A133 K139 L210 E211	A131-K135 WeakPolarHBondContact O-CG 3.36Å; A131-K135 PolarHBondContact O-N 3.49Å; G132-K135 PolarHBondContact O-N 3.38Å; A133-K135 PolarHBondContact O-N 3.45Å; K135-K139 WeakPolarHBondContact O-CB 3.5Å; K135-K139 PolarHBondContact O-N 2.99Å; K135-K139 VanDerWaalsContact O-N 3.08Å; K135-L210 VanDerWaalsContact CE-CB 3.44Å; K135-L210 HydrophobicContact CG-CD1 3.97Å; K135-E211 IonicContact NZ-OE1 3.6Å
136	Y	97.9	Very high	97.3	Very high	77 Å²	77	44.2 Å²	44.2	30%	0.302	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-48	179.1	-176.6	-91.3	0	0	0	111.2	L102 I115 G132 A133 I134 K139 H140 Y141	L102-Y136 HydrophobicContact CD1-CD1 4.38Å; L102-Y136 HydrophobicContact CD1-CE1 3.88Å; I115-Y136 HydrophobicContact CD1-CD1 3.3Å; I115-Y136 HydrophobicContact CD1-CD2 4.39Å; I115-Y136 HydrophobicContact CD1-CE1 3.47Å; I115-Y136 VanDerWaalsContact CD1-CE1 3.47Å; I115-Y136 HydrophobicContact CD1-CG 3.8Å; I115-Y136 HydrophobicContact CG2-CE1 4.37Å; G132-Y136 WeakPolarHBondContact O-CB 3.09Å; G132-Y136 PolarHBondContact O-N 3.06Å; A133-Y136 PolarHBondContact O-N 3.37Å; I134-Y136 PolarHBondContact O-N 2.88Å; Y136-K139 PolarHBondContact O-N 3.22Å; Y136-H140 AromaticContact CD2-CD2 3.63Å; Y136-H140 AromaticContact CE2-CD2 3.55Å; Y136-H140 AromaticContact CE2-NE2 3.8Å; Y136-H140 AromaticContact CG-CD2 3.95Å; Y136-H140 AromaticContact CZ-CD2 3.81Å; Y136-H140 WeakPolarHBondContact O-CB 3.27Å; Y136-H140 PolarHBondContact O-CD2 3.15Å; Y136-H140 PolarHBondContact O-N 3.22Å; Y136-Y141 HydrophobicContact CD1-CE2 4.49Å; Y136-Y141 AromaticContact CE1-CE2 3.88Å; Y136-Y141 HydrophobicContact CE1-CE2 3.88Å
137	I	98.4	Very high	97.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71	-39.9	-175.9	-63.9	166.3	0	0	0	110.7	F73 W75 A133 I134 K139 H140 Y141 A142 F148 L203	F73-I137 HydrophobicContact CD1-CD1 4.41Å; F73-I137 HydrophobicContact CD1-CG2 4.24Å; F73-I137 HydrophobicContact CE1-CD1 3.69Å; F73-I137 HydrophobicContact CE1-CG1 4.03Å; F73-I137 HydrophobicContact CE1-CG2 4.16Å; F73-I137 HydrophobicContact CZ-CD1 4.27Å; F73-I137 HydrophobicContact CZ-CG1 4.14Å; F73-I137 HydrophobicContact CZ-CG2 4.37Å; W75-I137 HydrophobicContact CB-CD1 3.63Å; W75-I137 HydrophobicContact CD2-CD1 3.67Å; W75-I137 HydrophobicContact CE3-CD1 3.19Å; W75-I137 HydrophobicContact CE3-CG1 4.39Å; W75-I137 HydrophobicContact CE3-CG2 4.2Å; W75-I137 HydrophobicContact CG-CD1 3.9Å; W75-I137 HydrophobicContact CZ3-CB 4.48Å; W75-I137 HydrophobicContact CZ3-CD1 3.89Å; W75-I137 HydrophobicContact CZ3-CG2 4.13Å; A133-I137 HydrophobicContact CB-CD1 4.32Å; A133-I137 WeakPolarHBondContact O-CB 3.28Å; A133-I137 WeakPolarHBondContact O-CD1 2.99Å; A133-I137 WeakPolarHBondContact O-CG1 3.41Å; A133-I137 PolarHBondContact O-N 3.12Å; I134-I137 PolarHBondContact O-N 2.83Å; I137-K139 VanDerWaalsContact C-N 3.27Å; I137-K139 PolarHBondContact O-N 3.4Å; I137-H140 PolarHBondContact O-N 3.47Å; I137-Y141 CarbonylContact O-C 3.51Å; I137-Y141 WeakPolarHBondContact O-CA 3.39Å; I137-Y141 PolarHBondContact O-N 3.28Å; I137-A142 PolarHBondContact O-N 3.32Å; I137-A142 VanDerWaalsContact O-N 3.12Å; I137-F148 HydrophobicContact CG2-CD1 3.46Å; I137-F148 VanDerWaalsContact CG2-CD1 3.46Å; I137-F148 HydrophobicContact CG2-CE1 3.53Å; I137-L203 HydrophobicContact CG2-CD2 3.99Å
138	A	98.4	Very high	97.7	Very high	17 Å²	17	41.2 Å²	41.2	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-42.2	173.5	0	0	0	0	0	111.7	I134 A142 L203 L204 A207	I134-A138 WeakPolarHBondContact O-CB 3.48Å; I134-A138 PolarHBondContact O-N 3.33Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A138-L203 HydrophobicContact CB-CD2 4.3Å; A138-L203 HydrophobicContact CB-CG 4.28Å; A138-L204 HydrophobicContact CB-CD2 4.46Å; A138-A207 HydrophobicContact CB-CB 3.47Å; A138-A207 VanDerWaalsContact CB-CB 3.47Å
139	K	98	Very high	97.9	Very high	167 Å²	167	37.3 Å²	37.3	73%	0.726	18%	0.182	S	C	*	.	H	α-helix	trans	-70.7	-38	179.5	-178.4	177.4	178.1	-178.5	0	113.5	K135 Y136 I137	K135-K139 WeakPolarHBondContact O-CB 3.5Å; K135-K139 PolarHBondContact O-N 2.99Å; K135-K139 VanDerWaalsContact O-N 3.08Å; Y136-K139 PolarHBondContact O-N 3.22Å; I137-K139 VanDerWaalsContact C-N 3.27Å; I137-K139 PolarHBondContact O-N 3.4Å
140	H	98	Very high	98.1	Very high	89 Å²	89	37.2 Å²	37.2	41%	0.412	18%	0.182	S	C	.	.	H	α-helix	trans	-107.3	-22.1	-166.7	-69.6	-68.9	0	0	0	115.1	Y136 I137	Y136-H140 AromaticContact CD2-CD2 3.63Å; Y136-H140 AromaticContact CE2-CD2 3.55Å; Y136-H140 AromaticContact CE2-NE2 3.8Å; Y136-H140 AromaticContact CG-CD2 3.95Å; Y136-H140 AromaticContact CZ-CD2 3.81Å; Y136-H140 WeakPolarHBondContact O-CB 3.27Å; Y136-H140 PolarHBondContact O-CD2 3.15Å; Y136-H140 PolarHBondContact O-N 3.22Å; I137-H140 PolarHBondContact O-N 3.47Å
141	Y	98.2	Very high	98.1	Very high	45 Å²	45	37.3 Å²	37.3	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-5.1	-169.6	-59.8	-70.5	0	0	0	114.6	F73 L102 Y136 I137 N143 D144 Y145	F73-Y141 HydrophobicContact CD2-CD2 4.5Å; F73-Y141 HydrophobicContact CD2-CG 4.12Å; F73-Y141 AromaticContact CE2-CD1 3.99Å; F73-Y141 HydrophobicContact CE2-CD1 3.99Å; F73-Y141 AromaticContact CE2-CD2 3.55Å; F73-Y141 HydrophobicContact CE2-CD2 3.55Å; F73-Y141 HydrophobicContact CE2-CE1 4.4Å; F73-Y141 HydrophobicContact CE2-CE2 4.03Å; F73-Y141 AromaticContact CE2-CG 3.52Å; F73-Y141 HydrophobicContact CE2-CG 3.52Å; F73-Y141 AromaticContact CZ-CD2 3.91Å; F73-Y141 HydrophobicContact CZ-CD2 3.91Å; F73-Y141 HydrophobicContact CZ-CE2 4.25Å; F73-Y141 HydrophobicContact CZ-CG 4.33Å; L102-Y141 HydrophobicContact CD1-CE2 3.83Å; Y136-Y141 HydrophobicContact CD1-CE2 4.49Å; Y136-Y141 AromaticContact CE1-CE2 3.88Å; Y136-Y141 HydrophobicContact CE1-CE2 3.88Å; I137-Y141 CarbonylContact O-C 3.51Å; I137-Y141 WeakPolarHBondContact O-CA 3.39Å; I137-Y141 PolarHBondContact O-N 3.28Å; Y141-N143 VanDerWaalsContact C-N 3.25Å; Y141-N143 PolarHBondContact O-N 2.76Å; Y141-N143 VanDerWaalsContact O-N 3.15Å; Y141-D144 PolarHBondContact O-N 2.69Å; Y141-Y145 HydrophobicContact CD1-CE2 4.01Å; Y141-Y145 HydrophobicContact CG-CE2 4.42Å; Y141-Y145 WeakPolarHBondContact O-CD2 3.08Å
142	A	97.1	Very high	98.2	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-41.8	-174.9	0	0	0	0	0	113.7	I137 A138 D144 R200 L203 L204	I137-A142 PolarHBondContact O-N 3.32Å; I137-A142 VanDerWaalsContact O-N 3.12Å; A138-A142 WeakPolarHBondContact O-CB 3.49Å; A142-D144 VanDerWaalsContact C-N 3.33Å; A142-R200 WeakPolarHBondContact O-CD 3.4Å; A142-R200 WeakPolarHBondContact O-CG 3.36Å; A142-L203 HydrophobicContact CB-CD2 4.36Å; A142-L204 HydrophobicContact CB-CD2 3.68Å; A142-L204 HydrophobicContact CB-CG 4.2Å
143	N	97	Very high	98.2	Very high	129 Å²	129	37.6 Å²	37.6	69%	0.69	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-12.6	-175	-62.6	-29.4	0	0	0	113.5	Y141	Y141-N143 VanDerWaalsContact C-N 3.25Å; Y141-N143 PolarHBondContact O-N 2.76Å; Y141-N143 VanDerWaalsContact O-N 3.15Å
144	D	98	Very high	98.2	Very high	83 Å²	83	38.9 Å²	38.9	44%	0.444	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-15.4	-174.1	-61.6	-29.5	0	0	0	113	R71 Y141 A142	R71-D144 VanDerWaalsContact CZ-O 3.28Å; R71-D144 PolarHBondContact NH1-O 3.2Å; Y141-D144 PolarHBondContact O-N 2.69Å; A142-D144 VanDerWaalsContact C-N 3.33Å
145	Y	98.7	Very high	98.2	Very high	35 Å²	35	39 Å²	39	14%	0.137	19%	0.185	C	C	.	.			trans	-135	162.5	-175.1	-54.6	-87.8	0	0	0	111.4	R71 F73 N99 K100 Y141 R200	R71-Y145 HydrophobicContact CB-CD1 4.03Å; F73-Y145 HydrophobicContact CB-CD1 4.18Å; F73-Y145 HydrophobicContact CB-CD2 4.04Å; F73-Y145 HydrophobicContact CB-CG 3.8Å; F73-Y145 AromaticContact CD2-CD2 3.74Å; F73-Y145 HydrophobicContact CD2-CD2 3.74Å; F73-Y145 AromaticContact CD2-CE2 3.73Å; F73-Y145 HydrophobicContact CD2-CE2 3.73Å; F73-Y145 HydrophobicContact CD2-CG 4.31Å; F73-Y145 HydrophobicContact CE2-CE2 4.45Å; F73-Y145 HydrophobicContact CG-CD2 4.37Å; N99-Y145 HydrophobicContact CB-CD1 3.96Å; N99-Y145 HydrophobicContact CB-CE1 3.71Å; K100-Y145 HydrophobicContact CB-CE1 3.59Å; K100-Y145 HydrophobicContact CB-CE2 4.15Å; K100-Y145 VanDerWaalsContact CB-OH 3.25Å; K100-Y145 WeakPolarHBondContact CB-OH 3.24Å; Y141-Y145 HydrophobicContact CD1-CE2 4.01Å; Y141-Y145 HydrophobicContact CG-CE2 4.42Å; Y141-Y145 WeakPolarHBondContact O-CD2 3.08Å; Y145-R200 PolarHBondContact O-NH1 2.78Å
146	D	98.7	Very high	98.3	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.08	17%	0.169	C	C	.	.	S	Bend	trans	-98.6	-37.2	-175.7	-56.9	-50.7	0	0	0	111.3	R71 P171 R200	R71-D146 VanDerWaalsContact CB-OD2 3.26Å; R71-D146 WeakPolarHBondContact CB-OD2 3.12Å; R71-D146 WeakPolarHBondContact CG-OD2 3.29Å; R71-D146 IonicContact CZ-OD1 4Å; R71-D146 IonicContact CZ-OD2 3.33Å; R71-D146 PolarHBondContact N-OD2 3Å; R71-D146 IonicContact NE-OD1 3.65Å; R71-D146 IonicContact NE-OD2 2.92Å; R71-D146 PolarHBondContact NE-OD2 2.69Å; R71-D146 IonicContact NH2-OD1 3.83Å; R71-D146 PolarHBondContact NH2-OD1 2.85Å; R71-D146 IonicContact NH2-OD2 3.19Å; R71-D146 PolarHBondContact O-N 2.71Å; D146-P171 HydrophobicContact CB-CB 3.81Å; D146-P171 HydrophobicContact CB-CG 4.12Å; D146-P171 VanDerWaalsContact O-CB 3.29Å; D146-P171 WeakPolarHBondContact O-CB 3.4Å; D146-R200 PolarHBondContact O-N 3.13Å; D146-R200 IonicContact OD1-CZ 3.04Å; D146-R200 IonicContact OD1-NH1 3.05Å; D146-R200 PolarHBondContact OD1-NH1 3.24Å
147	Y	98.9	Very high	98.3	Very high	6 Å²	6	31.5 Å²	31.5	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.4	-174.4	-57	-73.7	0	0	0	111.7	V70 R71 V72 F73 L166 Q169 P171 F175 L198	V70-Y147 HydrophobicContact CG1-CD2 3.64Å; V70-Y147 HydrophobicContact CG1-CE2 3.75Å; R71-Y147 PolarHBondContact O-N 3.14Å; V72-Y147 WeakPolarHBondContact CA-O 3.39Å; F73-Y147 PolarHBondContact N-O 3.21Å; Y147-L166 HydrophobicContact CD1-CD1 4.26Å; Y147-L166 HydrophobicContact CD1-CD2 3.73Å; Y147-L166 HydrophobicContact CD1-CG 4.47Å; Y147-L166 HydrophobicContact CD2-CB 4.01Å; Y147-L166 HydrophobicContact CD2-CD1 3.75Å; Y147-L166 HydrophobicContact CD2-CD2 4.39Å; Y147-L166 HydrophobicContact CD2-CG 4.29Å; Y147-L166 HydrophobicContact CE1-CD2 3.93Å; Y147-L166 HydrophobicContact CE2-CB 3.88Å; Y147-L166 HydrophobicContact CE2-CD1 4.44Å; Y147-L166 HydrophobicContact CG-CB 4.44Å; Y147-L166 HydrophobicContact CG-CD1 3.62Å; Y147-L166 HydrophobicContact CG-CD2 3.98Å; Y147-L166 HydrophobicContact CG-CG 4.24Å; Y147-L166 PolarHBondContact OH-O 3.34Å; Y147-Q169 HydrophobicContact CE1-CB 4.35Å; Y147-Q169 WeakPolarHBondContact OH-CB 3.33Å; Y147-Q169 PolarHBondContact OH-O 2.91Å; Y147-P171 HydrophobicContact CE1-CB 4.01Å; Y147-P171 HydrophobicContact CE2-CB 4.41Å; Y147-P171 WeakPolarHBondContact OH-CD 3.26Å; Y147-F175 AromaticContact CD1-CZ 3.94Å; Y147-F175 HydrophobicContact CD1-CZ 3.94Å; Y147-F175 AromaticContact CE1-CE1 3.88Å; Y147-F175 HydrophobicContact CE1-CE1 3.88Å; Y147-F175 AromaticContact CE1-CZ 3.48Å; Y147-F175 HydrophobicContact CE1-CZ 3.48Å; Y147-F175 VanDerWaalsContact CE1-CZ 3.48Å; Y147-L198 CarbonylContact C-O 3.59Å; Y147-L198 WeakPolarHBondContact CA-O 3.36Å
148	F	98.9	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	102.2	-172.1	-61.1	-92.9	0	0	0	110.7	F73 W75 I137 V197 L198 R200 L203	F73-F148 HydrophobicContact CB-CD1 3.62Å; F73-F148 HydrophobicContact CB-CE1 3.83Å; F73-F148 HydrophobicContact CB-CG 4.46Å; F73-F148 HydrophobicContact CD1-CD1 4.12Å; F73-F148 AromaticContact CG-CD1 3.96Å; F73-F148 HydrophobicContact CG-CD1 3.96Å; F73-F148 HydrophobicContact CG-CE1 4.13Å; F73-F148 CarbonylContact O-C 3.58Å; F73-F148 VanDerWaalsContact O-CA 3.28Å; F73-F148 WeakPolarHBondContact O-CA 3.34Å; W75-F148 HydrophobicContact CE3-CB 3.93Å; W75-F148 HydrophobicContact CE3-CD1 4.41Å; W75-F148 HydrophobicContact CH2-CB 3.92Å; W75-F148 HydrophobicContact CZ3-CB 3.36Å; W75-F148 HydrophobicContact CZ3-CD1 4.05Å; W75-F148 HydrophobicContact CZ3-CG 4.02Å; I137-F148 HydrophobicContact CG2-CD1 3.46Å; I137-F148 VanDerWaalsContact CG2-CD1 3.46Å; I137-F148 HydrophobicContact CG2-CE1 3.53Å; F148-V197 WeakPolarHBondContact O-CA 3.46Å; F148-L198 HydrophobicContact CB-CB 4.43Å; F148-L198 PolarHBondContact N-O 2.82Å; F148-L198 PolarHBondContact O-N 3.2Å; F148-R200 HydrophobicContact CE2-CB 4.02Å; F148-R200 HydrophobicContact CE2-CG 4.48Å; F148-L203 HydrophobicContact CD1-CD2 3.79Å; F148-L203 HydrophobicContact CD2-CB 4.14Å; F148-L203 HydrophobicContact CD2-CD2 3.8Å; F148-L203 HydrophobicContact CD2-CG 4.5Å; F148-L203 HydrophobicContact CE1-CD2 3.75Å; F148-L203 HydrophobicContact CE2-CD2 3.78Å; F148-L203 HydrophobicContact CG-CD2 3.84Å; F148-L203 HydrophobicContact CZ-CD2 3.76Å
149	M	98.8	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	120.8	-175.2	177.8	60.7	-176.4	0	0	111.2	V72 F73 C74 W75 V157 L162 Y196 V197 F252	V72-M149 HydrophobicContact CG1-CB 4.08Å; F73-M149 PolarHBondContact O-N 2.87Å; C74-M149 CarbonylContact C-O 3.5Å; C74-M149 VanDerWaalsContact CA-O 3.32Å; C74-M149 WeakPolarHBondContact CA-O 3.3Å; W75-M149 PolarHBondContact N-O 2.97Å; M149-V157 HydrophobicContact CE-CG1 4.18Å; M149-V157 HydrophobicContact CE-CG2 3.99Å; M149-L162 HydrophobicContact CB-CD2 3.94Å; M149-L162 HydrophobicContact CG-CD2 3.93Å; M149-L162 HydrophobicContact SD-CD2 4.24Å; M149-Y196 VanDerWaalsContact SD-C 3.59Å; M149-V197 HydrophobicContact SD-CB 4.07Å; M149-F252 HydrophobicContact CE-CD1 4.34Å; M149-F252 HydrophobicContact CE-CE1 3.84Å; M149-F252 HydrophobicContact SD-CE1 4.06Å
150	K	98.6	Very high	98.2	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.1	167.6	-173.8	-98.1	179.6	177.1	0	110.5	W75 L77 D152 G192 G195 Y196	W75-K150 HydrophobicContact CZ2-CB 4.3Å; W75-K150 WeakPolarHBondContact O-CA 3.09Å; L77-K150 VanDerWaalsContact CD1-CE 3.48Å; K150-D152 WeakPolarHBondContact CE-OD1 3.14Å; K150-D152 IonicContact NZ-OD1 3Å; K150-D152 PolarHBondContact NZ-OD1 3.04Å; K150-D152 IonicContact NZ-OD2 3.52Å; K150-G192 PolarHBondContact NZ-O 3.33Å; K150-G195 VanDerWaalsContact O-CA 3.25Å; K150-G195 WeakPolarHBondContact O-CA 3.39Å; K150-Y196 HydrophobicContact CB-CD2 3.67Å; K150-Y196 HydrophobicContact CB-CE1 4.23Å; K150-Y196 HydrophobicContact CB-CE2 3.25Å; K150-Y196 HydrophobicContact CB-CG 4.26Å; K150-Y196 HydrophobicContact CD-CD1 4.24Å; K150-Y196 HydrophobicContact CD-CE1 3.66Å; K150-Y196 HydrophobicContact CD-CE2 4.24Å; K150-Y196 HydrophobicContact CG-CE1 4.12Å; K150-Y196 HydrophobicContact CG-CE2 3.81Å; K150-Y196 WeakPolarHBondContact CG-OH 3.34Å; K150-Y196 PolarHBondContact N-O 3.39Å; K150-Y196 PolarHBondContact O-N 3.37Å
151	A	98.5	Very high	98.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.8	167.3	0	0	0	0	0	111.1	W75 I76 L77 W94 V157	W75-A151 PolarHBondContact O-N 3.42Å; W75-A151 VanDerWaalsContact O-N 3.08Å; I76-A151 CarbonylContact C-O 3.58Å; I76-A151 WeakPolarHBondContact CA-O 3.1Å; L77-A151 PolarHBondContact N-O 2.82Å; W94-A151 HydrophobicContact CH2-CB 3.68Å; W94-A151 HydrophobicContact CZ2-CB 4Å; A151-V157 HydrophobicContact CB-CG2 3.98Å
152	D	98	Very high	98.1	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.16	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	164.4	170.8	-65.2	-23.4	0	0	0	110.5	K150 D154 S155 H295	K150-D152 WeakPolarHBondContact CE-OD1 3.14Å; K150-D152 IonicContact NZ-OD1 3Å; K150-D152 PolarHBondContact NZ-OD1 3.04Å; K150-D152 IonicContact NZ-OD2 3.52Å; D152-D154 WeakPolarHBondContact CB-OD1 3.38Å; D152-D154 PolarHBondContact O-N 2.93Å; D152-D154 VanDerWaalsContact O-N 3.12Å; D152-S155 PolarHBondContact N-OG 3.14Å; D152-S155 VanDerWaalsContact N-OG 3.08Å; D152-S155 WeakPolarHBondContact O-CB 3.33Å; D152-S155 PolarHBondContact O-N 2.87Å; D152-S155 PolarHBondContact O-OG 3.05Å; D152-H295 IonicContact OD2-CD2 3.9Å; D152-H295 IonicContact OD2-CE1 3.88Å; D152-H295 IonicContact OD2-NE2 3.67Å; D152-H295 PolarHBondContact OD2-NE2 2.8Å
153	D	97.8	Very high	98.1	Very high	9 Å²	9	20.8 Å²	20.8	5%	0.048	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-0.7	177.5	64.2	18.3	0	0	0	115.2	I76 L77 T78 N82 K86 M302	I76-D153 HydrophobicContact CG2-CB 4.48Å; L77-D153 PolarHBondContact O-N 3.1Å; T78-D153 VanDerWaalsContact CA-OD2 3.32Å; T78-D153 WeakPolarHBondContact CA-OD2 3.38Å; T78-D153 VanDerWaalsContact CB-OD2 3.3Å; T78-D153 WeakPolarHBondContact CB-OD2 3.24Å; T78-D153 PolarHBondContact OG1-OD2 3.48Å; N82-D153 WeakPolarHBondContact CB-OD2 3.4Å; N82-D153 PolarHBondContact ND2-OD1 3.26Å; N82-D153 PolarHBondContact ND2-OD2 2.89Å; K86-D153 HydrophobicContact CB-CB 4.01Å; K86-D153 HydrophobicContact CD-CB 4.35Å; K86-D153 WeakPolarHBondContact CD-OD1 3.37Å; K86-D153 IonicContact NZ-OD1 2.86Å; K86-D153 PolarHBondContact NZ-OD1 3Å; D153-M302 WeakPolarHBondContact O-CE 3.3Å
154	D	98.4	Very high	97.9	Very high	27 Å²	27	18 Å²	18	14%	0.144	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	26.9	170.3	52.5	13.6	0	0	0	112.3	K86 D152 H295 Y296 I297	K86-D154 HydrophobicContact CD-CB 4.42Å; K86-D154 IonicContact NZ-OD2 3.53Å; K86-D154 PolarHBondContact NZ-OD2 2.85Å; D152-D154 WeakPolarHBondContact CB-OD1 3.38Å; D152-D154 PolarHBondContact O-N 2.93Å; D152-D154 VanDerWaalsContact O-N 3.12Å; D154-H295 CarbonylContact O-C 3.6Å; D154-H295 IonicContact OD1-CD2 3.48Å; D154-H295 IonicContact OD1-CE1 3.69Å; D154-H295 PolarHBondContact OD1-CE1 3.39Å; D154-H295 IonicContact OD1-NE2 3.75Å; D154-H295 PolarHBondContact OD1-NE2 3Å; D154-Y296 PolarHBondContact O-N 2.95Å; D154-I297 PolarHBondContact O-N 3.42Å
155	S	98.6	Very high	97.8	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.014	7%	0.074	C	C	.	.			trans	-98.8	151.7	168.3	-52.6	0	0	0	0	111.3	W94 D152 F294 H295	W94-S155 PolarHBondContact NE1-O 2.67Å; D152-S155 PolarHBondContact N-OG 3.14Å; D152-S155 VanDerWaalsContact N-OG 3.08Å; D152-S155 WeakPolarHBondContact O-CB 3.33Å; D152-S155 PolarHBondContact O-N 2.87Å; D152-S155 PolarHBondContact O-OG 3.05Å; S155-F294 VanDerWaalsContact CA-O 3.29Å; S155-F294 WeakPolarHBondContact CA-O 3.28Å; S155-H295 PolarHBondContact OG-CD2 2.93Å
156	Y	98.6	Very high	97.8	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.8	162.4	-164.1	-80.8	0	0	0	109	W94 I158 S293 F294 M302 Y305 E306 L309 Y310	W94-Y156 HydrophobicContact CB-CE1 4.29Å; W94-Y156 HydrophobicContact CB-CE2 4.19Å; W94-Y156 AromaticContact CD1-CD2 3.62Å; W94-Y156 AromaticContact CD1-CE2 3.98Å; W94-Y156 AromaticContact CD1-CG 3.96Å; W94-Y156 HydrophobicContact CG-CD2 4.41Å; W94-Y156 HydrophobicContact CG-CE2 4.49Å; Y156-I158 HydrophobicContact CD1-CG1 4.28Å; Y156-I158 HydrophobicContact CE1-CG1 4.23Å; Y156-S293 WeakPolarHBondContact O-CA 3.47Å; Y156-F294 PolarHBondContact N-O 2.96Å; Y156-F294 PolarHBondContact O-N 2.99Å; Y156-F294 VanDerWaalsContact O-N 3.09Å; Y156-M302 HydrophobicContact CD2-CB 4.17Å; Y156-M302 HydrophobicContact CD2-CG 4.3Å; Y156-M302 HydrophobicContact CE2-CB 4.45Å; Y156-M302 WeakPolarHBondContact CE2-O 3.42Å; Y156-Y305 HydrophobicContact CD1-CD2 4.29Å; Y156-Y305 HydrophobicContact CD2-CD2 4.19Å; Y156-Y305 AromaticContact CG-CD2 3.9Å; Y156-Y305 HydrophobicContact CG-CD2 3.9Å; Y156-E306 WeakPolarHBondContact OH-CA 3.39Å; Y156-E306 PolarHBondContact OH-OE2 3.37Å; Y156-L309 HydrophobicContact CD1-CD1 4.35Å; Y156-L309 HydrophobicContact CE1-CD1 3.57Å; Y156-Y310 WeakPolarHBondContact OH-CE2 3.42Å
157	V	98.8	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.1	-177.1	-175.5	0	0	0	0	110.1	W94 M149 A151 V159 V292	W94-V157 WeakPolarHBondContact CB-O 3.38Å; W94-V157 HydrophobicContact CD2-CB 4.03Å; W94-V157 HydrophobicContact CD2-CG2 4.37Å; W94-V157 HydrophobicContact CE3-CB 3.75Å; W94-V157 HydrophobicContact CE3-CG2 4.18Å; W94-V157 HydrophobicContact CH2-CB 4.38Å; W94-V157 HydrophobicContact CH2-CG2 3.91Å; W94-V157 HydrophobicContact CZ2-CG2 4.08Å; W94-V157 HydrophobicContact CZ3-CB 3.95Å; W94-V157 HydrophobicContact CZ3-CG2 3.97Å; M149-V157 HydrophobicContact CE-CG1 4.18Å; M149-V157 HydrophobicContact CE-CG2 3.99Å; A151-V157 HydrophobicContact CB-CG2 3.98Å; V157-V159 HydrophobicContact CG1-CG2 4.25Å; V157-V159 PolarHBondContact O-N 3.22Å; V157-V292 CarbonylContact C-O 3.57Å; V157-V292 VanDerWaalsContact CA-O 3.31Å; V157-V292 WeakPolarHBondContact CA-O 3.35Å; V157-V292 HydrophobicContact CG1-CG1 4.24Å
158	I	98.2	Very high	97.2	Very high	17 Å²	17	22.3 Å²	22.3	9%	0.087	11%	0.105	C	C	.	.			trans	-89	89.5	173.9	-51	174.2	0	0	0	107.1	Y156 E160 N161 L162 A291 V292 L309	Y156-I158 HydrophobicContact CD1-CG1 4.28Å; Y156-I158 HydrophobicContact CE1-CG1 4.23Å; I158-E160 PolarHBondContact O-N 2.92Å; I158-N161 HydrophobicContact CB-CB 4.13Å; I158-N161 HydrophobicContact CG2-CB 3.92Å; I158-N161 WeakPolarHBondContact CG2-ND2 3.4Å; I158-N161 WeakPolarHBondContact O-CB 3.39Å; I158-N161 PolarHBondContact O-N 2.9Å; I158-N161 VanDerWaalsContact O-N 3.1Å; I158-L162 PolarHBondContact O-N 3.12Å; I158-A291 WeakPolarHBondContact CD1-O 3.45Å; I158-V292 PolarHBondContact N-O 3.5Å; I158-L309 HydrophobicContact CD1-CD1 3.85Å; I158-L309 HydrophobicContact CD1-CD2 4.24Å; I158-L309 HydrophobicContact CG1-CD1 3.96Å
159	V	98.2	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-29	-168.7	-169.6	0	0	0	0	111.7	W94 R97 V157 L162 R163	W94-V159 HydrophobicContact CE3-CG2 4.41Å; R97-V159 HydrophobicContact CB-CB 3.88Å; R97-V159 HydrophobicContact CB-CG2 3.76Å; V157-V159 HydrophobicContact CG1-CG2 4.25Å; V157-V159 PolarHBondContact O-N 3.22Å; V159-L162 WeakPolarHBondContact O-CB 3.37Å; V159-L162 PolarHBondContact O-N 3.01Å; V159-R163 WeakPolarHBondContact O-CG 3.44Å; V159-R163 PolarHBondContact O-N 2.68Å
160	E	95.8	Very high	97	Very high	45 Å²	45	28.4 Å²	28.4	21%	0.21	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-45.5	173.7	-65.5	82	171.8	0	0	110.8	A63 R97 I158 L162 R163 K164 Y310	A63-E160 HydrophobicContact CB-CG 3.77Å; R97-E160 VanDerWaalsContact CD-OE1 3.25Å; R97-E160 WeakPolarHBondContact CD-OE1 3.28Å; R97-E160 WeakPolarHBondContact CD-OE2 3.37Å; R97-E160 IonicContact NE-OE1 2.6Å; R97-E160 PolarHBondContact NE-OE1 3.37Å; I158-E160 PolarHBondContact O-N 2.92Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.24Å; E160-R163 PolarHBondContact O-N 2.68Å; E160-K164 PolarHBondContact O-N 2.9Å; E160-Y310 PolarHBondContact OE2-OH 3.38Å; E160-Y310 VanDerWaalsContact OE2-OH 3.08Å
161	N	96.1	Very high	97	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.139	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-36.5	174.5	-70.5	-5.1	0	0	0	111.4	I158 R163 K164 I165 Y290 A291 V292	I158-N161 HydrophobicContact CB-CB 4.13Å; I158-N161 HydrophobicContact CG2-CB 3.92Å; I158-N161 WeakPolarHBondContact CG2-ND2 3.4Å; I158-N161 WeakPolarHBondContact O-CB 3.39Å; I158-N161 PolarHBondContact O-N 2.9Å; I158-N161 VanDerWaalsContact O-N 3.1Å; N161-R163 VanDerWaalsContact C-N 3.34Å; N161-R163 PolarHBondContact O-N 2.85Å; N161-K164 WeakPolarHBondContact O-CB 3.43Å; N161-K164 PolarHBondContact O-N 3.22Å; N161-I165 PolarHBondContact O-N 2.9Å; N161-Y290 WeakPolarHBondContact CB-O 3.44Å; N161-Y290 VanDerWaalsContact ND2-C 3.32Å; N161-Y290 WeakPolarHBondContact ND2-CA 3.46Å; N161-A291 WeakPolarHBondContact CB-O 3.43Å; N161-A291 PolarHBondContact ND2-O 3.48Å; N161-V292 HydrophobicContact CB-CG2 4.3Å
162	L	98.4	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-44.5	172	177.8	59.3	0	0	0	111.1	V72 M149 I158 V159 E160 K164 I165 L166 V197 F252 V292	V72-L162 HydrophobicContact CG1-CD2 3.92Å; M149-L162 HydrophobicContact CB-CD2 3.94Å; M149-L162 HydrophobicContact CG-CD2 3.93Å; M149-L162 HydrophobicContact SD-CD2 4.24Å; I158-L162 PolarHBondContact O-N 3.12Å; V159-L162 WeakPolarHBondContact O-CB 3.37Å; V159-L162 PolarHBondContact O-N 3.01Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.24Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 2.83Å; L162-I165 HydrophobicContact CD1-CD1 4.24Å; L162-I165 HydrophobicContact CD1-CG1 4.32Å; L162-I165 WeakPolarHBondContact O-CG1 3.46Å; L162-I165 PolarHBondContact O-N 2.82Å; L162-L166 HydrophobicContact CD1-CD1 3.57Å; L162-L166 HydrophobicContact CD1-CG 3.89Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; L162-L166 HydrophobicContact CG-CD1 3.57Å; L162-L166 HydrophobicContact CG-CG 4.27Å; L162-L166 WeakPolarHBondContact O-CB 3.15Å; L162-L166 VanDerWaalsContact O-CG 3.24Å; L162-L166 WeakPolarHBondContact O-CG 3.33Å; L162-L166 PolarHBondContact O-N 3.34Å; L162-V197 HydrophobicContact CD1-CB 4.39Å; L162-V197 HydrophobicContact CD1-CG1 4.17Å; L162-F252 HydrophobicContact CD1-CZ 4.07Å; L162-V292 HydrophobicContact CB-CG1 3.91Å; L162-V292 HydrophobicContact CB-CG2 4.28Å; L162-V292 HydrophobicContact CD1-CG1 4.06Å; L162-V292 HydrophobicContact CG-CG1 4.44Å
163	R	97.3	Very high	97	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-34.9	176	-69.6	178	-179.1	111.6	-3.5	112.3	L66 V70 V72 R97 N99 V159 E160 N161 I165 L166 H167	L66-R163 HydrophobicContact CB-CB 4.13Å; L66-R163 HydrophobicContact CD1-CB 4.45Å; V70-R163 HydrophobicContact CB-CB 4.36Å; V70-R163 HydrophobicContact CB-CG 4.05Å; V70-R163 HydrophobicContact CG1-CB 4.34Å; V70-R163 HydrophobicContact CG1-CG 3.97Å; V70-R163 PolarHBondContact O-NE 3.24Å; V72-R163 HydrophobicContact CG2-CG 4.19Å; R97-R163 PolarHBondContact O-NH1 3.31Å; R97-R163 VanDerWaalsContact O-NH1 3.09Å; R97-R163 PolarHBondContact O-NH2 3.4Å; N99-R163 PolarHBondContact OD1-NH2 3.06Å; V159-R163 WeakPolarHBondContact O-CG 3.44Å; V159-R163 PolarHBondContact O-N 2.68Å; E160-R163 PolarHBondContact O-N 2.68Å; N161-R163 VanDerWaalsContact C-N 3.34Å; N161-R163 PolarHBondContact O-N 2.85Å; R163-I165 VanDerWaalsContact C-N 3.28Å; R163-I165 PolarHBondContact O-N 3.02Å; R163-L166 PolarHBondContact O-N 3.23Å; R163-H167 WeakPolarHBondContact O-CB 3.41Å; R163-H167 PolarHBondContact O-N 3.26Å; R163-H167 PolarHBondContact O-ND1 3.41Å
164	K	93.5	Very high	97.1	Very high	72 Å²	72	40.3 Å²	40.3	31%	0.313	20%	0.196	S	C	.	.	H	α-helix	trans	-58.5	-37.1	174.3	-177.2	-175.7	-178.6	-68.7	0	112.4	E160 N161 L162 H167 Y290	E160-K164 PolarHBondContact O-N 2.9Å; N161-K164 WeakPolarHBondContact O-CB 3.43Å; N161-K164 PolarHBondContact O-N 3.22Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 2.83Å; K164-H167 PolarHBondContact O-CE1 2.97Å; K164-H167 PolarHBondContact O-ND1 3.2Å; K164-Y290 HydrophobicContact CD-CD1 3.42Å; K164-Y290 VanDerWaalsContact CD-CD1 3.42Å; K164-Y290 HydrophobicContact CD-CD2 4.08Å; K164-Y290 HydrophobicContact CD-CE1 3.81Å; K164-Y290 HydrophobicContact CD-CE2 4.41Å; K164-Y290 HydrophobicContact CD-CG 3.55Å
165	I	95.9	Very high	97.1	Very high	27 Å²	27	39.3 Å²	39.3	14%	0.138	19%	0.19	C	C	.	.	H	α-helix	trans	-84.8	-31.2	176.9	62.8	174.3	0	0	0	112.5	N161 L162 R163 M177 F252 V292	N161-I165 PolarHBondContact O-N 2.9Å; L162-I165 HydrophobicContact CD1-CD1 4.24Å; L162-I165 HydrophobicContact CD1-CG1 4.32Å; L162-I165 WeakPolarHBondContact O-CG1 3.46Å; L162-I165 PolarHBondContact O-N 2.82Å; R163-I165 VanDerWaalsContact C-N 3.28Å; R163-I165 PolarHBondContact O-N 3.02Å; I165-M177 HydrophobicContact CD1-SD 3.57Å; I165-M177 VanDerWaalsContact CD1-SD 3.57Å; I165-M177 HydrophobicContact CG1-SD 4.19Å; I165-F252 HydrophobicContact CD1-CE2 3.7Å; I165-F252 HydrophobicContact CD1-CZ 4.14Å; I165-V292 HydrophobicContact CD1-CG2 3.74Å; I165-V292 HydrophobicContact CG1-CG2 4.39Å
166	L	97.9	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-80.8	-25.5	-177.5	-68.9	176	0	0	0	114.9	V70 V72 Y147 L162 R163 K168 Q169 F175 M177 V197	V70-L166 HydrophobicContact CG1-CB 3.8Å; V70-L166 HydrophobicContact CG1-CD1 4.33Å; V72-L166 HydrophobicContact CG2-CD1 4.13Å; Y147-L166 HydrophobicContact CD1-CD1 4.26Å; Y147-L166 HydrophobicContact CD1-CD2 3.73Å; Y147-L166 HydrophobicContact CD1-CG 4.47Å; Y147-L166 HydrophobicContact CD2-CB 4.01Å; Y147-L166 HydrophobicContact CD2-CD1 3.75Å; Y147-L166 HydrophobicContact CD2-CD2 4.39Å; Y147-L166 HydrophobicContact CD2-CG 4.29Å; Y147-L166 HydrophobicContact CE1-CD2 3.93Å; Y147-L166 HydrophobicContact CE2-CB 3.88Å; Y147-L166 HydrophobicContact CE2-CD1 4.44Å; Y147-L166 HydrophobicContact CG-CB 4.44Å; Y147-L166 HydrophobicContact CG-CD1 3.62Å; Y147-L166 HydrophobicContact CG-CD2 3.98Å; Y147-L166 HydrophobicContact CG-CG 4.24Å; Y147-L166 PolarHBondContact OH-O 3.34Å; L162-L166 HydrophobicContact CD1-CD1 3.57Å; L162-L166 HydrophobicContact CD1-CG 3.89Å; L162-L166 HydrophobicContact CD2-CD1 4.26Å; L162-L166 HydrophobicContact CG-CD1 3.57Å; L162-L166 HydrophobicContact CG-CG 4.27Å; L162-L166 WeakPolarHBondContact O-CB 3.15Å; L162-L166 VanDerWaalsContact O-CG 3.24Å; L162-L166 WeakPolarHBondContact O-CG 3.33Å; L162-L166 PolarHBondContact O-N 3.34Å; R163-L166 PolarHBondContact O-N 3.23Å; L166-K168 PolarHBondContact O-N 3.47Å; L166-Q169 WeakPolarHBondContact O-CB 3.31Å; L166-Q169 PolarHBondContact O-N 3.2Å; L166-F175 HydrophobicContact CD2-CE2 4.31Å; L166-F175 HydrophobicContact CD2-CZ 4.12Å; L166-M177 HydrophobicContact CD2-SD 4.42Å; L166-V197 HydrophobicContact CD1-CG2 4.17Å; L166-V197 HydrophobicContact CD2-CG1 4.09Å; L166-V197 HydrophobicContact CD2-CG2 4.36Å
167	H	94	Very high	97.1	Very high	56 Å²	56	39.4 Å²	39.4	26%	0.259	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.4	-178.1	80.4	-83.1	0	0	0	113.9	L66 V70 R163 K164	L66-H167 HydrophobicContact CD2-CB 3.77Å; V70-H167 HydrophobicContact CG2-CB 3.7Å; R163-H167 WeakPolarHBondContact O-CB 3.41Å; R163-H167 PolarHBondContact O-N 3.26Å; R163-H167 PolarHBondContact O-ND1 3.41Å; K164-H167 PolarHBondContact O-CE1 2.97Å; K164-H167 PolarHBondContact O-ND1 3.2Å
168	K	90.3	Very high	97.1	Very high	145 Å²	145	39.5 Å²	39.5	63%	0.63	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.1	175.8	-58.1	-174.2	178.7	-176.5	0	113.1	L166	L166-K168 PolarHBondContact O-N 3.47Å
169	Q	97.1	Very high	97.1	Very high	68 Å²	68	38.8 Å²	38.8	32%	0.318	19%	0.187	S	C	.	.	S	Bend	trans	-98.4	159	-177	-54.4	-54.7	-38.4	0	0	110.7	Y147 L166 F175 M177	Y147-Q169 HydrophobicContact CE1-CB 4.35Å; Y147-Q169 WeakPolarHBondContact OH-CB 3.33Å; Y147-Q169 PolarHBondContact OH-O 2.91Å; L166-Q169 WeakPolarHBondContact O-CB 3.31Å; L166-Q169 PolarHBondContact O-N 3.2Å; Q169-F175 HydrophobicContact CB-CE1 3.84Å; Q169-F175 HydrophobicContact CB-CZ 3.8Å; Q169-F175 HydrophobicContact CG-CE1 4.42Å; Q169-F175 HydrophobicContact CG-CZ 4.06Å; Q169-M177 HydrophobicContact CG-CE 4.33Å
170	D	97.9	Very high	97.1	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	19%	0.193	S	C	.	.			trans	-102	115.3	174.8	179.6	-8.1	0	0	0	108.7	D172 K173	D170-D172 PolarHBondContact O-N 2.88Å; D170-D172 PolarHBondContact OD1-N 3.49Å; D170-K173 HydrophobicContact CB-CB 4.34Å; D170-K173 HydrophobicContact CB-CD 3.92Å; D170-K173 HydrophobicContact CB-CG 3.95Å; D170-K173 PolarHBondContact O-N 3.02Å; D170-K173 VanDerWaalsContact O-N 3.11Å; D170-K173 VanDerWaalsContact OD2-CE 3.31Å; D170-K173 WeakPolarHBondContact OD2-CE 3.25Å
171	P	98.4	Very high	97.2	Very high	21 Å²	21	38.3 Å²	38.3	14%	0.136	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.1	-178.1	28.5	-35.1	0	0	0	113.5	D146 Y147 R200 A201	D146-P171 HydrophobicContact CB-CB 3.81Å; D146-P171 HydrophobicContact CB-CG 4.12Å; D146-P171 VanDerWaalsContact O-CB 3.29Å; D146-P171 WeakPolarHBondContact O-CB 3.4Å; Y147-P171 HydrophobicContact CE1-CB 4.01Å; Y147-P171 HydrophobicContact CE2-CB 4.41Å; Y147-P171 WeakPolarHBondContact OH-CD 3.26Å; P171-R200 HydrophobicContact CB-CB 4.47Å; P171-R200 PolarHBondContact O-N 3.04Å; P171-A201 PolarHBondContact O-N 3.3Å
172	D	98.4	Very high	97.2	Very high	100 Å²	100	42.1 Å²	42.1	54%	0.535	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-2.5	177.3	-63.9	-45.7	0	0	0	112.8	D170 R200 A201	D170-D172 PolarHBondContact O-N 2.88Å; D170-D172 PolarHBondContact OD1-N 3.49Å; D172-R200 IonicContact OD1-CZ 2.82Å; D172-R200 VanDerWaalsContact OD1-CZ 3.3Å; D172-R200 IonicContact OD1-NE 2.81Å; D172-R200 PolarHBondContact OD1-NE 2.81Å; D172-R200 IonicContact OD1-NH2 3.67Å; D172-R200 PolarHBondContact OD1-NH2 2.84Å; D172-R200 IonicContact OD2-NH2 3.39Å; D172-R200 PolarHBondContact OD2-NH2 3.47Å; D172-A201 VanDerWaalsContact C-CB 3.47Å; D172-A201 WeakPolarHBondContact O-CB 3.46Å
173	K	98.6	Very high	96.8	Very high	134 Å²	134	43.5 Å²	43.5	58%	0.583	21%	0.208	S	C	*	.	S	Bend	trans	-91	128	167.6	-69.4	-178.7	-171.8	168.5	0	110.5	D170 F175 S199	D170-K173 HydrophobicContact CB-CB 4.34Å; D170-K173 HydrophobicContact CB-CD 3.92Å; D170-K173 HydrophobicContact CB-CG 3.95Å; D170-K173 PolarHBondContact O-N 3.02Å; D170-K173 VanDerWaalsContact O-N 3.11Å; D170-K173 VanDerWaalsContact OD2-CE 3.31Å; D170-K173 WeakPolarHBondContact OD2-CE 3.25Å; K173-F175 VanDerWaalsContact O-CD1 3.28Å; K173-F175 WeakPolarHBondContact O-CD1 3.42Å; K173-F175 PolarHBondContact O-N 3.42Å; K173-S199 WeakPolarHBondContact O-CB 3.25Å; K173-S199 PolarHBondContact O-OG 3.24Å
174	P	98.7	Very high	96.7	Very high	39 Å²	39	48.4 Å²	48.4	25%	0.253	23%	0.23	S	C	.	.			trans	-74.7	102.3	-176	30.1	-34.8	0	0	0	111.5	A201 V238 S239	P174-A201 HydrophobicContact CB-CB 4.17Å; P174-V238 HydrophobicContact CB-CG2 4.17Å; P174-S239 PolarHBondContact O-N 3.12Å; P174-S239 PolarHBondContact O-OG 2.85Å; P174-S239 VanDerWaalsContact O-OG 3.1Å
175	F	98.8	Very high	96.9	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.022	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159	171.5	74.3	-95.9	0	0	0	114.5	Y147 L166 Q169 K173 M177 S199 V238 S239 V241	Y147-F175 AromaticContact CD1-CZ 3.94Å; Y147-F175 HydrophobicContact CD1-CZ 3.94Å; Y147-F175 AromaticContact CE1-CE1 3.88Å; Y147-F175 HydrophobicContact CE1-CE1 3.88Å; Y147-F175 AromaticContact CE1-CZ 3.48Å; Y147-F175 HydrophobicContact CE1-CZ 3.48Å; Y147-F175 VanDerWaalsContact CE1-CZ 3.48Å; L166-F175 HydrophobicContact CD2-CE2 4.31Å; L166-F175 HydrophobicContact CD2-CZ 4.12Å; Q169-F175 HydrophobicContact CB-CE1 3.84Å; Q169-F175 HydrophobicContact CB-CZ 3.8Å; Q169-F175 HydrophobicContact CG-CE1 4.42Å; Q169-F175 HydrophobicContact CG-CZ 4.06Å; K173-F175 VanDerWaalsContact O-CD1 3.28Å; K173-F175 WeakPolarHBondContact O-CD1 3.42Å; K173-F175 PolarHBondContact O-N 3.42Å; F175-M177 HydrophobicContact CD2-CB 4.09Å; F175-M177 HydrophobicContact CE2-CB 4.06Å; F175-M177 HydrophobicContact CE2-CE 4.35Å; F175-S199 PolarHBondContact N-OG 3.09Å; F175-S199 PolarHBondContact O-N 3.09Å; F175-S199 PolarHBondContact O-OG 2.87Å; F175-V238 VanDerWaalsContact C-CG1 3.43Å; F175-S239 CarbonylContact C-O 3.54Å; F175-S239 WeakPolarHBondContact CA-O 3.38Å; F175-S239 WeakPolarHBondContact CB-O 3.04Å; F175-V241 HydrophobicContact CB-CB 4.4Å; F175-V241 HydrophobicContact CB-CG2 3.58Å; F175-V241 HydrophobicContact CD2-CB 4.24Å; F175-V241 HydrophobicContact CD2-CG2 4.18Å; F175-V241 HydrophobicContact CG-CB 4.45Å; F175-V241 HydrophobicContact CG-CG2 3.88Å
176	I	98.8	Very high	96.9	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.8	163.4	-166.9	175.9	0	0	0	109.2	M190 Y196 V197 L198 L229 V238 S239 I240 V241	I176-M190 HydrophobicContact CD1-CB 4.44Å; I176-M190 HydrophobicContact CD1-CG 3.88Å; I176-M190 HydrophobicContact CG1-CG 3.83Å; I176-M190 HydrophobicContact CG2-CG 4.37Å; I176-Y196 HydrophobicContact CD1-CD2 4.07Å; I176-Y196 HydrophobicContact CD1-CG 4.24Å; I176-Y196 HydrophobicContact CG1-CD2 4.5Å; I176-V197 CarbonylContact C-O 3.53Å; I176-V197 WeakPolarHBondContact CA-O 3.26Å; I176-L198 HydrophobicContact CB-CD2 3.67Å; I176-L198 HydrophobicContact CD1-CD2 3.99Å; I176-L198 HydrophobicContact CD1-CG 4.46Å; I176-L198 HydrophobicContact CG1-CD2 3.71Å; I176-L198 HydrophobicContact CG1-CG 4.2Å; I176-L229 HydrophobicContact CD1-CD2 3.75Å; I176-L229 HydrophobicContact CD1-CG 4.24Å; I176-V238 HydrophobicContact CB-CG1 4.17Å; I176-V238 HydrophobicContact CG2-CG1 4.39Å; I176-S239 PolarHBondContact N-O 3.25Å; I176-I240 HydrophobicContact CG2-CG1 3.81Å; I176-I240 WeakPolarHBondContact O-CA 3.16Å; I176-V241 PolarHBondContact O-N 3.36Å
177	M	98.6	Very high	96.8	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.5	-177.2	173.5	-170.6	-74.5	0	0	110.4	I165 L166 Q169 F175 Y196 V197 V241 F252	I165-M177 HydrophobicContact CD1-SD 3.57Å; I165-M177 VanDerWaalsContact CD1-SD 3.57Å; I165-M177 HydrophobicContact CG1-SD 4.19Å; L166-M177 HydrophobicContact CD2-SD 4.42Å; Q169-M177 HydrophobicContact CG-CE 4.33Å; F175-M177 HydrophobicContact CD2-CB 4.09Å; F175-M177 HydrophobicContact CE2-CB 4.06Å; F175-M177 HydrophobicContact CE2-CE 4.35Å; M177-Y196 CarbonylContact O-C 3.55Å; M177-Y196 VanDerWaalsContact O-CA 3.24Å; M177-Y196 WeakPolarHBondContact O-CA 3.18Å; M177-Y196 WeakPolarHBondContact O-CB 3.31Å; M177-V197 HydrophobicContact CB-CG1 3.73Å; M177-V197 HydrophobicContact CG-CG1 4.2Å; M177-V197 PolarHBondContact N-O 3.09Å; M177-V197 PolarHBondContact O-N 3.38Å; M177-V197 HydrophobicContact SD-CG1 4.26Å; M177-V241 HydrophobicContact CE-CB 4Å; M177-V241 HydrophobicContact CE-CG1 3.46Å; M177-V241 VanDerWaalsContact CE-CG1 3.46Å; M177-V241 WeakPolarHBondContact CG-O 3.35Å; M177-F252 HydrophobicContact CG-CE2 4.35Å
178	G	98.4	Very high	97	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-157.5	-176.5	0	0	0	0	0	111.2	R180 M190 S243	G178-R180 PolarHBondContact O-N 2.84Å; G178-M190 VanDerWaalsContact C-SD 3.52Å; G178-M190 VanDerWaalsContact CA-SD 3.53Å; G178-M190 PolarHBondContact N-SD 2.83Å; G178-S243 PolarHBondContact O-OG 2.69Å
179	R	97.8	Very high	97.4	Very high	3 Å²	3	46 Å²	46	1%	0.011	22%	0.219	C	C	.	.	S	Bend	trans	-79.6	110.4	173.7	-178.2	63.5	173.4	-146	24.1	110.2	F181 M190 S191 E250 F252 Y272 N276	R179-F181 HydrophobicContact CG-CD1 4.47Å; R179-F181 HydrophobicContact CG-CE1 3.95Å; R179-F181 PolarHBondContact O-N 2.83Å; R179-M190 CarbonylContact O-C 3.58Å; R179-M190 WeakPolarHBondContact O-CA 3.4Å; R179-S191 PolarHBondContact O-N 2.85Å; R179-E250 WeakPolarHBondContact CD-OE1 3.41Å; R179-E250 WeakPolarHBondContact CD-OE2 3.34Å; R179-E250 VanDerWaalsContact CZ-CG 3.46Å; R179-E250 IonicContact CZ-OE1 3.03Å; R179-E250 VanDerWaalsContact CZ-OE1 3.24Å; R179-E250 IonicContact CZ-OE2 2.69Å; R179-E250 IonicContact NE-OE1 3.84Å; R179-E250 PolarHBondContact NE-OE1 2.68Å; R179-E250 IonicContact NE-OE2 2.58Å; R179-E250 IonicContact NH1-OE1 3.46Å; R179-E250 IonicContact NH1-OE2 2.83Å; R179-E250 IonicContact NH2-OE1 2.93Å; R179-F252 HydrophobicContact CB-CB 3.97Å; R179-F252 WeakPolarHBondContact CB-O 3.21Å; R179-F252 WeakPolarHBondContact CD-O 2.78Å; R179-Y272 PolarHBondContact NH2-OH 2.89Å; R179-N276 PolarHBondContact NE-OD1 3.46Å; R179-N276 PolarHBondContact NH2-OD1 2.83Å
180	R	98.1	Very high	97.4	Very high	30 Å²	30	43 Å²	43	11%	0.113	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.5	-174.1	-170.4	179.3	-173.1	177.4	-3.5	112.8	G178 Q187 M190 I240 D242 Y277	G178-R180 PolarHBondContact O-N 2.84Å; R180-Q187 VanDerWaalsContact CZ-O 3.29Å; R180-Q187 PolarHBondContact NE-O 3.49Å; R180-Q187 VanDerWaalsContact NE-O 3.07Å; R180-Q187 PolarHBondContact NH2-O 3.43Å; R180-M190 HydrophobicContact CB-CE 3.74Å; R180-M190 HydrophobicContact CG-CE 3.72Å; R180-I240 HydrophobicContact CG-CG2 4.36Å; R180-D242 WeakPolarHBondContact CD-OD1 3.42Å; R180-D242 IonicContact NH1-OD1 2.81Å; R180-D242 PolarHBondContact NH1-OD1 3.34Å; R180-D242 IonicContact NH1-OD2 3.55Å; R180-D242 PolarHBondContact NH1-OD2 2.8Å; R180-Y277 HydrophobicContact CG-CD2 4.29Å; R180-Y277 HydrophobicContact CG-CG 3.96Å; R180-Y277 VanDerWaalsContact O-CB 3.28Å; R180-Y277 WeakPolarHBondContact O-CB 3.47Å; R180-Y277 PolarHBondContact O-N 3.34Å; R180-Y277 VanDerWaalsContact O-N 3.09Å
181	F	98	Very high	97.4	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.4	167.2	-69.4	-15.8	0	0	0	111.2	R179 G188 Y189 S191 P254 W271 Y272 Y275	R179-F181 HydrophobicContact CG-CD1 4.47Å; R179-F181 HydrophobicContact CG-CE1 3.95Å; R179-F181 PolarHBondContact O-N 2.83Å; F181-G188 CarbonylContact O-C 3.55Å; F181-G188 WeakPolarHBondContact O-CA 3.25Å; F181-Y189 HydrophobicContact CB-CD1 4.06Å; F181-Y189 HydrophobicContact CB-CD2 4.46Å; F181-Y189 HydrophobicContact CB-CE1 3.5Å; F181-Y189 HydrophobicContact CB-CE2 4.01Å; F181-Y189 AromaticContact CD2-CE2 3.98Å; F181-Y189 HydrophobicContact CD2-CE2 3.98Å; F181-Y189 AromaticContact CD2-CZ 3.93Å; F181-Y189 PolarHBondContact N-O 3.49Å; F181-Y189 WeakPolarHBondContact O-CD1 3.47Å; F181-Y189 PolarHBondContact O-N 3.17Å; F181-S191 WeakPolarHBondContact CE2-OG 3.39Å; F181-P254 HydrophobicContact CZ-CG 4.24Å; F181-W271 AromaticContact CE2-CZ3 3.87Å; F181-W271 HydrophobicContact CE2-CZ3 3.87Å; F181-W271 AromaticContact CZ-CZ3 3.8Å; F181-W271 HydrophobicContact CZ-CZ3 3.8Å; F181-Y272 HydrophobicContact CE1-CD2 4.21Å; F181-Y272 HydrophobicContact CE1-CE2 4.26Å; F181-Y272 HydrophobicContact CZ-CD2 4.11Å; F181-Y272 HydrophobicContact CZ-CE2 4.38Å; F181-Y275 CarbonylContact C-O 3.58Å; F181-Y275 WeakPolarHBondContact CA-O 3.27Å; F181-Y275 HydrophobicContact CD2-CD2 4.17Å
182	K	96.6	Very high	97.3	Very high	106 Å²	106	39.7 Å²	39.7	46%	0.461	19%	0.188	S	C	.	.			trans	-95.7	-33.3	-174.3	71.5	-173.5	166	-161.3	0	117.3	K274 Y275 N276 Y277	K182-K274 WeakPolarHBondContact CE-O 3.14Å; K182-K274 PolarHBondContact NZ-O 2.94Å; K182-Y275 WeakPolarHBondContact CG-O 3.35Å; K182-Y275 PolarHBondContact N-O 3.03Å; K182-N276 WeakPolarHBondContact CE-O 3.45Å; K182-N276 PolarHBondContact NZ-O 3.23Å; K182-Y277 HydrophobicContact CB-CD2 3.93Å
183	P	90.6	Very high	97.2	Very high	29 Å²	29	35.7 Å²	35.7	19%	0.188	17%	0.17	C	C	.	.	S	Bend	trans	-70.4	159.7	-171	28.7	-34.6	0	0	0	111.3	V185 Y189 Y275	P183-V185 VanDerWaalsContact C-N 3.27Å; P183-V185 PolarHBondContact O-N 3.41Å; P183-Y189 HydrophobicContact CG-CE1 4.04Å; P183-Y189 VanDerWaalsContact O-CD1 3.25Å; P183-Y189 WeakPolarHBondContact O-CD1 3.5Å; P183-Y189 WeakPolarHBondContact O-CE1 3.47Å; P183-Y275 HydrophobicContact CB-CE1 4.5Å; P183-Y275 HydrophobicContact CG-CD1 3.52Å; P183-Y275 HydrophobicContact CG-CD2 3.9Å; P183-Y275 HydrophobicContact CG-CE1 3.79Å; P183-Y275 HydrophobicContact CG-CE2 4.16Å; P183-Y275 HydrophobicContact CG-CG 3.57Å
184	F	95.1	Very high	97.1	Very high	111 Å²	111	29.3 Å²	29.3	49%	0.487	14%	0.143	S	C	.	.	S	Bend	trans	74.6	-33.6	171.4	-39.6	-64.6	0	0	0	118.3	Y189 V227 Y275	F184-Y189 HydrophobicContact CD2-CE1 4.03Å; F184-V227 HydrophobicContact CB-CG1 3.59Å; F184-V227 HydrophobicContact CB-CG2 4.42Å; F184-V227 HydrophobicContact CD2-CG1 4.44Å; F184-V227 HydrophobicContact CD2-CG2 3.77Å; F184-V227 HydrophobicContact CG-CG1 4.24Å; F184-V227 HydrophobicContact CG-CG2 4.37Å; F184-Y275 HydrophobicContact CE2-CE1 4.44Å; F184-Y275 AromaticContact CE2-CE2 3.91Å; F184-Y275 HydrophobicContact CE2-CE2 3.91Å; F184-Y275 AromaticContact CE2-CZ 3.74Å; F184-Y275 AromaticContact CZ-CZ 3.94Å; F184-Y275 WeakPolarHBondContact CZ-OH 3.44Å
185	V	96.3	Very high	97.1	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.036	13%	0.132	C	C	.	.	S	Bend	trans	-121.5	133.7	178.5	-174.4	0	0	0	0	109.4	P183 Q187 G188 Y189 V227 E234	P183-V185 VanDerWaalsContact C-N 3.27Å; P183-V185 PolarHBondContact O-N 3.41Å; V185-Q187 HydrophobicContact CG1-CG 4.04Å; V185-Q187 PolarHBondContact O-N 3.18Å; V185-G188 WeakPolarHBondContact CB-O 3.49Å; V185-G188 VanDerWaalsContact CG1-O 3.27Å; V185-G188 WeakPolarHBondContact CG1-O 3.42Å; V185-G188 WeakPolarHBondContact O-CA 3.17Å; V185-G188 PolarHBondContact O-N 2.97Å; V185-Y189 HydrophobicContact CG2-CD1 4.42Å; V185-V227 HydrophobicContact CG2-CG1 4.22Å; V185-E234 HydrophobicContact CG1-CB 4.23Å
186	K	96.4	Very high	97.1	Very high	199 Å²	199	27.3 Å²	27.3	87%	0.865	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-42.7	-171.4	175.7	-173.7	177.1	-173.2	0	112	G188 E234	K186-G188 PolarHBondContact O-N 3.45Å; K186-E234 WeakPolarHBondContact CB-OE1 3.5Å
187	Q	96.9	Very high	97.1	Very high	39 Å²	39	27.1 Å²	27.1	18%	0.182	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.4	171.1	67.9	171.2	-7.7	0	0	113.9	R180 V185 E234 V238 I240	R180-Q187 VanDerWaalsContact CZ-O 3.29Å; R180-Q187 PolarHBondContact NE-O 3.49Å; R180-Q187 VanDerWaalsContact NE-O 3.07Å; R180-Q187 PolarHBondContact NH2-O 3.43Å; V185-Q187 HydrophobicContact CG1-CG 4.04Å; V185-Q187 PolarHBondContact O-N 3.18Å; Q187-E234 HydrophobicContact CG-CB 4.03Å; Q187-E234 HydrophobicContact CG-CG 4.1Å; Q187-E234 WeakPolarHBondContact CG-OE1 2.95Å; Q187-E234 PolarHBondContact N-OE1 3.22Å; Q187-E234 VanDerWaalsContact NE2-N 3.12Å; Q187-V238 PolarHBondContact NE2-O 3.09Å; Q187-V238 VanDerWaalsContact NE2-O 3.13Å; Q187-I240 HydrophobicContact CB-CD1 4.35Å; Q187-I240 HydrophobicContact CG-CD1 3.91Å; Q187-I240 VanDerWaalsContact O-CD1 3.28Å; Q187-I240 WeakPolarHBondContact O-CD1 3.01Å
188	G	97.7	Very high	97.1	Very high	1 Å²	1	27 Å²	27	1%	0.01	13%	0.129	C	C	.	.			trans	90.7	-176.4	-166.8	0	0	0	0	0	112.8	F181 V185 K186 I240	F181-G188 CarbonylContact O-C 3.55Å; F181-G188 WeakPolarHBondContact O-CA 3.25Å; V185-G188 WeakPolarHBondContact CB-O 3.49Å; V185-G188 VanDerWaalsContact CG1-O 3.27Å; V185-G188 WeakPolarHBondContact CG1-O 3.42Å; V185-G188 WeakPolarHBondContact O-CA 3.17Å; V185-G188 PolarHBondContact O-N 2.97Å; K186-G188 PolarHBondContact O-N 3.45Å; G188-I240 VanDerWaalsContact C-CD1 3.47Å; G188-I240 WeakPolarHBondContact O-CD1 3.1Å
189	Y	98	Very high	97.1	Very high	5 Å²	5	27 Å²	27	2%	0.02	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.1	-179.1	66.9	-75.6	0	0	0	110	F181 P183 F184 V185 D226 V227 Y275	F181-Y189 HydrophobicContact CB-CD1 4.06Å; F181-Y189 HydrophobicContact CB-CD2 4.46Å; F181-Y189 HydrophobicContact CB-CE1 3.5Å; F181-Y189 HydrophobicContact CB-CE2 4.01Å; F181-Y189 AromaticContact CD2-CE2 3.98Å; F181-Y189 HydrophobicContact CD2-CE2 3.98Å; F181-Y189 AromaticContact CD2-CZ 3.93Å; F181-Y189 PolarHBondContact N-O 3.49Å; F181-Y189 WeakPolarHBondContact O-CD1 3.47Å; F181-Y189 PolarHBondContact O-N 3.17Å; P183-Y189 HydrophobicContact CG-CE1 4.04Å; P183-Y189 VanDerWaalsContact O-CD1 3.25Å; P183-Y189 WeakPolarHBondContact O-CD1 3.5Å; P183-Y189 WeakPolarHBondContact O-CE1 3.47Å; F184-Y189 HydrophobicContact CD2-CE1 4.03Å; V185-Y189 HydrophobicContact CG2-CD1 4.42Å; Y189-D226 HydrophobicContact CD2-CB 3.97Å; Y189-D226 HydrophobicContact CE2-CB 4.23Å; Y189-V227 HydrophobicContact CD2-CG2 3.98Å; Y189-V227 HydrophobicContact CE1-CG2 4.23Å; Y189-V227 HydrophobicContact CE2-CG2 3.58Å; Y189-V227 HydrophobicContact CG-CG2 4.43Å; Y189-Y275 WeakPolarHBondContact OH-CD2 3.24Å
190	M	98.3	Very high	97.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.9	-179	-58.1	-56.9	96.6	0	0	110.5	I176 G178 R179 R180 G192 Y196 D226 I240	I176-M190 HydrophobicContact CD1-CB 4.44Å; I176-M190 HydrophobicContact CD1-CG 3.88Å; I176-M190 HydrophobicContact CG1-CG 3.83Å; I176-M190 HydrophobicContact CG2-CG 4.37Å; G178-M190 VanDerWaalsContact C-SD 3.52Å; G178-M190 VanDerWaalsContact CA-SD 3.53Å; G178-M190 PolarHBondContact N-SD 2.83Å; R179-M190 CarbonylContact O-C 3.58Å; R179-M190 WeakPolarHBondContact O-CA 3.4Å; R180-M190 HydrophobicContact CB-CE 3.74Å; R180-M190 HydrophobicContact CG-CE 3.72Å; M190-G192 PolarHBondContact O-N 2.85Å; M190-Y196 HydrophobicContact CB-CD1 4.07Å; M190-Y196 HydrophobicContact CB-CG 4.12Å; M190-D226 VanDerWaalsContact O-CB 3.3Å; M190-D226 WeakPolarHBondContact O-CB 3.43Å; M190-I240 HydrophobicContact CE-CB 4.29Å; M190-I240 HydrophobicContact CE-CD1 3.52Å; M190-I240 HydrophobicContact CE-CG1 3.71Å; M190-I240 HydrophobicContact CE-CG2 3.59Å
191	S	97.6	Very high	97.2	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.035	13%	0.134	C	C	.	.			trans	-55.6	126.6	175.7	-176.9	0	0	0	0	111.6	R179 F181 G193 G194 G195 P254	R179-S191 PolarHBondContact O-N 2.85Å; F181-S191 WeakPolarHBondContact CE2-OG 3.39Å; S191-G193 VanDerWaalsContact C-N 3.34Å; S191-G193 PolarHBondContact O-N 3.34Å; S191-G194 PolarHBondContact O-N 2.89Å; S191-G194 PolarHBondContact OG-N 3.36Å; S191-G195 PolarHBondContact O-N 2.75Å; S191-P254 WeakPolarHBondContact OG-CB 3.49Å
192	G	96.4	Very high	97.2	Very high	7 Å²	7	27.3 Å²	27.3	7%	0.072	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-43.1	177	0	0	0	0	0	113	K150 M190 G195 D226	K150-G192 PolarHBondContact NZ-O 3.33Å; M190-G192 PolarHBondContact O-N 2.85Å; G192-G195 PolarHBondContact O-N 2.89Å; G192-D226 PolarHBondContact N-OD2 3.28Å
193	G	95	Very high	97.4	Very high	16 Å²	16	22.3 Å²	22.3	17%	0.165	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.9	179.7	0	0	0	0	0	113.2	S191 G195 H295	S191-G193 VanDerWaalsContact C-N 3.34Å; S191-G193 PolarHBondContact O-N 3.34Å; G193-G195 PolarHBondContact O-N 3.45Å; G193-G195 VanDerWaalsContact O-N 3.12Å; G193-H295 VanDerWaalsContact CA-CD2 3.49Å; G193-H295 WeakPolarHBondContact CA-CD2 3.2Å; G193-H295 VanDerWaalsContact O-CB 3.24Å; G193-H295 WeakPolarHBondContact O-CB 3.32Å; G193-H295 PolarHBondContact O-CD2 3.15Å
194	G	97.4	Very high	97.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.6	172.2	0	0	0	0	0	113.1	S191 S293	S191-G194 PolarHBondContact O-N 2.89Å; S191-G194 PolarHBondContact OG-N 3.36Å; G194-S293 WeakPolarHBondContact O-CB 3.32Å; G194-S293 PolarHBondContact O-OG 2.81Å
195	G	98.4	Very high	97.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	11%	0.111	C	C	.	.			trans	72.3	166.4	-165.7	0	0	0	0	0	111.3	K150 S191 G192 G193	K150-G195 VanDerWaalsContact O-CA 3.25Å; K150-G195 WeakPolarHBondContact O-CA 3.39Å; S191-G195 PolarHBondContact O-N 2.75Å; G192-G195 PolarHBondContact O-N 2.89Å; G193-G195 PolarHBondContact O-N 3.45Å; G193-G195 VanDerWaalsContact O-N 3.12Å
196	Y	98.7	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	154.7	-179.7	51.9	-106.5	0	0	0	110.5	W75 M149 K150 I176 M177 M190 E225 L229	W75-Y196 HydrophobicContact CZ2-CE2 4.38Å; M149-Y196 VanDerWaalsContact SD-C 3.59Å; K150-Y196 HydrophobicContact CB-CD2 3.67Å; K150-Y196 HydrophobicContact CB-CE1 4.23Å; K150-Y196 HydrophobicContact CB-CE2 3.25Å; K150-Y196 HydrophobicContact CB-CG 4.26Å; K150-Y196 HydrophobicContact CD-CD1 4.24Å; K150-Y196 HydrophobicContact CD-CE1 3.66Å; K150-Y196 HydrophobicContact CD-CE2 4.24Å; K150-Y196 HydrophobicContact CG-CE1 4.12Å; K150-Y196 HydrophobicContact CG-CE2 3.81Å; K150-Y196 WeakPolarHBondContact CG-OH 3.34Å; K150-Y196 PolarHBondContact N-O 3.39Å; K150-Y196 PolarHBondContact O-N 3.37Å; I176-Y196 HydrophobicContact CD1-CD2 4.07Å; I176-Y196 HydrophobicContact CD1-CG 4.24Å; I176-Y196 HydrophobicContact CG1-CD2 4.5Å; M177-Y196 CarbonylContact O-C 3.55Å; M177-Y196 VanDerWaalsContact O-CA 3.24Å; M177-Y196 WeakPolarHBondContact O-CA 3.18Å; M177-Y196 WeakPolarHBondContact O-CB 3.31Å; M190-Y196 HydrophobicContact CB-CD1 4.07Å; M190-Y196 HydrophobicContact CB-CG 4.12Å; Y196-E225 PolarHBondContact OH-OE1 2.81Å; Y196-L229 HydrophobicContact CD1-CD2 4.38Å; Y196-L229 HydrophobicContact CD2-CD2 3.89Å; Y196-L229 HydrophobicContact CE1-CD2 3.78Å; Y196-L229 HydrophobicContact CE2-CD2 3.24Å; Y196-L229 HydrophobicContact CG-CD2 4.44Å; Y196-L229 WeakPolarHBondContact OH-CD2 3.13Å
197	V	98.8	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.8	178.4	63.2	0	0	0	0	110.6	F148 M149 L162 L166 I176 M177 F252	F148-V197 WeakPolarHBondContact O-CA 3.46Å; M149-V197 HydrophobicContact SD-CB 4.07Å; L162-V197 HydrophobicContact CD1-CB 4.39Å; L162-V197 HydrophobicContact CD1-CG1 4.17Å; L166-V197 HydrophobicContact CD1-CG2 4.17Å; L166-V197 HydrophobicContact CD2-CG1 4.09Å; L166-V197 HydrophobicContact CD2-CG2 4.36Å; I176-V197 CarbonylContact C-O 3.53Å; I176-V197 WeakPolarHBondContact CA-O 3.26Å; M177-V197 HydrophobicContact CB-CG1 3.73Å; M177-V197 HydrophobicContact CG-CG1 4.2Å; M177-V197 PolarHBondContact N-O 3.09Å; M177-V197 PolarHBondContact O-N 3.38Å; M177-V197 HydrophobicContact SD-CG1 4.26Å; V197-F252 HydrophobicContact CG1-CZ 4.38Å
198	L	98.9	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.9	171.2	-73.8	162.8	0	0	0	109.6	W75 Y147 F148 I176 L203 I206 V238	W75-L198 HydrophobicContact CH2-CD1 3.7Å; W75-L198 HydrophobicContact CZ2-CD1 4.02Å; Y147-L198 CarbonylContact C-O 3.59Å; Y147-L198 WeakPolarHBondContact CA-O 3.36Å; F148-L198 HydrophobicContact CB-CB 4.43Å; F148-L198 PolarHBondContact N-O 2.82Å; F148-L198 PolarHBondContact O-N 3.2Å; I176-L198 HydrophobicContact CB-CD2 3.67Å; I176-L198 HydrophobicContact CD1-CD2 3.99Å; I176-L198 HydrophobicContact CD1-CG 4.46Å; I176-L198 HydrophobicContact CG1-CD2 3.71Å; I176-L198 HydrophobicContact CG1-CG 4.2Å; L198-L203 HydrophobicContact CD1-CD1 4.4Å; L198-I206 HydrophobicContact CD1-CD1 4.17Å; L198-I206 HydrophobicContact CD2-CD1 3.59Å; L198-V238 HydrophobicContact CD2-CG1 4.29Å
199	S	98.8	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	157	158.6	54.2	0	0	0	0	111.3	K173 F175 A201 G202 L203	K173-S199 WeakPolarHBondContact O-CB 3.25Å; K173-S199 PolarHBondContact O-OG 3.24Å; F175-S199 PolarHBondContact N-OG 3.09Å; F175-S199 PolarHBondContact O-N 3.09Å; F175-S199 PolarHBondContact O-OG 2.87Å; S199-A201 VanDerWaalsContact C-N 3.32Å; S199-A201 PolarHBondContact O-N 3.21Å; S199-G202 PolarHBondContact O-N 2.79Å; S199-G202 VanDerWaalsContact O-N 3.12Å; S199-G202 WeakPolarHBondContact OG-CA 3.44Å; S199-G202 PolarHBondContact OG-N 3.43Å; S199-L203 PolarHBondContact O-N 3.26Å
200	R	98.8	Very high	98.2	Very high	30 Å²	30	15.5 Å²	15.5	11%	0.113	9%	0.091	C	C	.	.	H	α-helix	trans	-53.2	-48.7	170.6	174.5	175.4	55.7	-117	4.3	111.9	A142 Y145 D146 F148 P171 D172 G202 L203 L204	A142-R200 WeakPolarHBondContact O-CD 3.4Å; A142-R200 WeakPolarHBondContact O-CG 3.36Å; Y145-R200 PolarHBondContact O-NH1 2.78Å; D146-R200 PolarHBondContact O-N 3.13Å; D146-R200 IonicContact OD1-CZ 3.04Å; D146-R200 IonicContact OD1-NH1 3.05Å; D146-R200 PolarHBondContact OD1-NH1 3.24Å; F148-R200 HydrophobicContact CE2-CB 4.02Å; F148-R200 HydrophobicContact CE2-CG 4.48Å; P171-R200 HydrophobicContact CB-CB 4.47Å; P171-R200 PolarHBondContact O-N 3.04Å; D172-R200 IonicContact OD1-CZ 2.82Å; D172-R200 VanDerWaalsContact OD1-CZ 3.3Å; D172-R200 IonicContact OD1-NE 2.81Å; D172-R200 PolarHBondContact OD1-NE 2.81Å; D172-R200 IonicContact OD1-NH2 3.67Å; D172-R200 PolarHBondContact OD1-NH2 2.84Å; D172-R200 IonicContact OD2-NH2 3.39Å; D172-R200 PolarHBondContact OD2-NH2 3.47Å; R200-G202 VanDerWaalsContact C-N 3.32Å; R200-G202 PolarHBondContact O-N 3.46Å; R200-L203 WeakPolarHBondContact O-CB 3.3Å; R200-L203 PolarHBondContact O-N 2.82Å; R200-L204 HydrophobicContact CG-CD1 4.17Å; R200-L204 WeakPolarHBondContact O-CG 3.41Å; R200-L204 PolarHBondContact O-N 2.78Å
201	A	98.8	Very high	98.1	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-39.2	176.3	0	0	0	0	0	112.5	P171 D172 P174 S199 L204 N205	P171-A201 PolarHBondContact O-N 3.3Å; D172-A201 VanDerWaalsContact C-CB 3.47Å; D172-A201 WeakPolarHBondContact O-CB 3.46Å; P174-A201 HydrophobicContact CB-CB 4.17Å; S199-A201 VanDerWaalsContact C-N 3.32Å; S199-A201 PolarHBondContact O-N 3.21Å; A201-L204 PolarHBondContact O-N 3.48Å; A201-N205 WeakPolarHBondContact O-CB 3.45Å; A201-N205 PolarHBondContact O-N 3.43Å; A201-N205 PolarHBondContact O-OD1 2.94Å
202	G	98.8	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-44.3	176	0	0	0	0	0	112.8	S199 R200 N205 I206	S199-G202 PolarHBondContact O-N 2.79Å; S199-G202 VanDerWaalsContact O-N 3.12Å; S199-G202 WeakPolarHBondContact OG-CA 3.44Å; S199-G202 PolarHBondContact OG-N 3.43Å; R200-G202 VanDerWaalsContact C-N 3.32Å; R200-G202 PolarHBondContact O-N 3.46Å; G202-N205 PolarHBondContact O-N 3.16Å; G202-I206 WeakPolarHBondContact O-CG1 3.47Å; G202-I206 PolarHBondContact O-N 3.15Å
203	L	98.8	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.8	-50.2	174.7	179.8	75.7	0	0	0	111.3	W75 I134 I137 A138 A142 F148 L198 S199 R200 I206 A207	W75-L203 HydrophobicContact CH2-CD1 3.51Å; W75-L203 HydrophobicContact CZ3-CD1 3.57Å; I134-L203 HydrophobicContact CB-CD1 4.35Å; I134-L203 HydrophobicContact CG1-CD1 4.22Å; I134-L203 HydrophobicContact CG2-CD1 3.91Å; I137-L203 HydrophobicContact CG2-CD2 3.99Å; A138-L203 HydrophobicContact CB-CD2 4.3Å; A138-L203 HydrophobicContact CB-CG 4.28Å; A142-L203 HydrophobicContact CB-CD2 4.36Å; F148-L203 HydrophobicContact CD1-CD2 3.79Å; F148-L203 HydrophobicContact CD2-CB 4.14Å; F148-L203 HydrophobicContact CD2-CD2 3.8Å; F148-L203 HydrophobicContact CD2-CG 4.5Å; F148-L203 HydrophobicContact CE1-CD2 3.75Å; F148-L203 HydrophobicContact CE2-CD2 3.78Å; F148-L203 HydrophobicContact CG-CD2 3.84Å; F148-L203 HydrophobicContact CZ-CD2 3.76Å; L198-L203 HydrophobicContact CD1-CD1 4.4Å; S199-L203 PolarHBondContact O-N 3.26Å; R200-L203 WeakPolarHBondContact O-CB 3.3Å; R200-L203 PolarHBondContact O-N 2.82Å; L203-I206 PolarHBondContact O-N 3Å; L203-A207 WeakPolarHBondContact O-CB 3.4Å; L203-A207 PolarHBondContact O-N 2.81Å
204	L	98.7	Very high	98.2	Very high	69 Å²	69	32 Å²	32	36%	0.361	17%	0.174	S	C	.	.	H	α-helix	trans	-63.2	-43.4	-178.3	-71.4	171.8	0	0	0	111.8	A138 A142 R200 A201 A207 N208	A138-L204 HydrophobicContact CB-CD2 4.46Å; A142-L204 HydrophobicContact CB-CD2 3.68Å; A142-L204 HydrophobicContact CB-CG 4.2Å; R200-L204 HydrophobicContact CG-CD1 4.17Å; R200-L204 WeakPolarHBondContact O-CG 3.41Å; R200-L204 PolarHBondContact O-N 2.78Å; A201-L204 PolarHBondContact O-N 3.48Å; L204-A207 PolarHBondContact O-N 2.92Å; L204-N208 WeakPolarHBondContact O-CB 3.45Å; L204-N208 PolarHBondContact O-N 3.19Å
205	N	98.7	Very high	98.2	Very high	57 Å²	57	35 Å²	35	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-61.6	-45.1	177.2	-78.7	8.9	0	0	0	111.9	A201 G202 G209 T236 V238	A201-N205 WeakPolarHBondContact O-CB 3.45Å; A201-N205 PolarHBondContact O-N 3.43Å; A201-N205 PolarHBondContact O-OD1 2.94Å; G202-N205 PolarHBondContact O-N 3.16Å; N205-G209 PolarHBondContact O-N 3.06Å; N205-T236 PolarHBondContact ND2-O 3.33Å; N205-V238 HydrophobicContact CB-CG2 3.76Å
206	I	98.7	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-44.5	177.6	-68.4	169.1	0	0	0	110.4	I134 L198 G202 L203 N208 G209 L210 L229 A233 V238	I134-I206 HydrophobicContact CD1-CG2 3.97Å; I134-I206 HydrophobicContact CG2-CG2 4.13Å; L198-I206 HydrophobicContact CD1-CD1 4.17Å; L198-I206 HydrophobicContact CD2-CD1 3.59Å; G202-I206 WeakPolarHBondContact O-CG1 3.47Å; G202-I206 PolarHBondContact O-N 3.15Å; L203-I206 PolarHBondContact O-N 3Å; I206-N208 PolarHBondContact O-N 3.15Å; I206-G209 CarbonylContact O-C 3.56Å; I206-G209 WeakPolarHBondContact O-CA 3.19Å; I206-G209 PolarHBondContact O-N 3.36Å; I206-L210 HydrophobicContact CG2-CG 4.47Å; I206-L210 WeakPolarHBondContact O-CG 3.4Å; I206-L210 PolarHBondContact O-N 3.42Å; I206-L229 HydrophobicContact CD1-CD1 3.97Å; I206-L229 HydrophobicContact CG2-CD1 4.12Å; I206-A233 HydrophobicContact CD1-CB 4.13Å; I206-V238 HydrophobicContact CD1-CG1 4.46Å; I206-V238 HydrophobicContact CD1-CG2 4.25Å; I206-V238 HydrophobicContact CG1-CG2 3.92Å
207	A	98.5	Very high	97.9	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-46.4	177.7	0	0	0	0	0	112.1	I134 A138 L203 L204 G209 L210	I134-A207 HydrophobicContact CG2-CB 3.92Å; A138-A207 HydrophobicContact CB-CB 3.47Å; A138-A207 VanDerWaalsContact CB-CB 3.47Å; L203-A207 WeakPolarHBondContact O-CB 3.4Å; L203-A207 PolarHBondContact O-N 2.81Å; L204-A207 PolarHBondContact O-N 2.92Å; A207-G209 VanDerWaalsContact C-N 3.34Å; A207-L210 WeakPolarHBondContact O-CB 3.44Å; A207-L210 PolarHBondContact O-N 2.82Å
208	N	98.4	Very high	97.6	Very high	93 Å²	93	44.8 Å²	44.8	50%	0.497	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-41.4	172.6	177.5	56.2	0	0	0	111.8	L204 I206 L210 E211 N212	L204-N208 WeakPolarHBondContact O-CB 3.45Å; L204-N208 PolarHBondContact O-N 3.19Å; I206-N208 PolarHBondContact O-N 3.15Å; N208-L210 VanDerWaalsContact C-N 3.32Å; N208-L210 PolarHBondContact O-N 3.32Å; N208-E211 PolarHBondContact O-N 3.4Å; N208-E211 VanDerWaalsContact O-N 3.1Å; N208-N212 WeakPolarHBondContact O-CB 3.25Å; N208-N212 PolarHBondContact O-N 2.86Å; N208-N212 PolarHBondContact O-ND2 3.4Å; N208-N212 PolarHBondContact OD1-ND2 2.95Å
209	G	98.4	Very high	97.2	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-38	175.7	0	0	0	0	0	113.7	N205 I206 A207 E211 N212 N213 C216	N205-G209 PolarHBondContact O-N 3.06Å; I206-G209 CarbonylContact O-C 3.56Å; I206-G209 WeakPolarHBondContact O-CA 3.19Å; I206-G209 PolarHBondContact O-N 3.36Å; A207-G209 VanDerWaalsContact C-N 3.34Å; G209-E211 PolarHBondContact O-N 3.37Å; G209-N212 PolarHBondContact O-N 3.42Å; G209-N213 WeakPolarHBondContact O-CA 3.42Å; G209-N213 WeakPolarHBondContact O-CB 3.21Å; G209-N213 PolarHBondContact O-N 3.3Å; G209-C216 VanDerWaalsContact C-CB 3.49Å; G209-C216 WeakPolarHBondContact O-CB 3.31Å
210	L	97.5	Very high	96.7	Very high	15 Å²	15	58.3 Å²	58.3	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-15.3	176.2	-68.3	171.1	0	0	0	113.5	W127 A131 I134 K135 I206 A207 N208 C216 R217	W127-L210 HydrophobicContact CH2-CD2 3.79Å; W127-L210 HydrophobicContact CZ2-CD2 3.36Å; A131-L210 HydrophobicContact CB-CD1 3.95Å; A131-L210 HydrophobicContact CB-CD2 3.95Å; I134-L210 HydrophobicContact CB-CD1 4.24Å; I134-L210 HydrophobicContact CG2-CD1 3.94Å; K135-L210 VanDerWaalsContact CE-CB 3.44Å; K135-L210 HydrophobicContact CG-CD1 3.97Å; I206-L210 HydrophobicContact CG2-CG 4.47Å; I206-L210 WeakPolarHBondContact O-CG 3.4Å; I206-L210 PolarHBondContact O-N 3.42Å; A207-L210 WeakPolarHBondContact O-CB 3.44Å; A207-L210 PolarHBondContact O-N 2.82Å; N208-L210 VanDerWaalsContact C-N 3.32Å; N208-L210 PolarHBondContact O-N 3.32Å; L210-C216 HydrophobicContact CD2-CB 4.43Å; L210-R217 WeakPolarHBondContact O-CG 3.32Å
211	E	95.9	Very high	96.1	Very high	105 Å²	105	58.7 Å²	58.7	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-105.5	-38.6	177.1	-61.1	-175.1	170	0	0	111.8	K135 N208 G209 R217	K135-E211 IonicContact NZ-OE1 3.6Å; N208-E211 PolarHBondContact O-N 3.4Å; N208-E211 VanDerWaalsContact O-N 3.1Å; G209-E211 PolarHBondContact O-N 3.37Å; E211-R217 WeakPolarHBondContact O-CD 3.45Å; E211-R217 PolarHBondContact O-NH1 3.27Å
212	N	97.5	Very high	95.4	Very high	115 Å²	115	59.6 Å²	59.6	62%	0.615	31%	0.308	S	S	*	.	H	α-helix	trans	-116.3	-14.4	-164.2	-62.6	-45.1	0	0	0	114.8	N208 G209	N208-N212 WeakPolarHBondContact O-CB 3.25Å; N208-N212 PolarHBondContact O-N 2.86Å; N208-N212 PolarHBondContact O-ND2 3.4Å; N208-N212 PolarHBondContact OD1-ND2 2.95Å; G209-N212 PolarHBondContact O-N 3.42Å
213	N	97.6	Very high	94.8	Very high	39 Å²	39	66.2 Å²	66.2	21%	0.209	34%	0.337	C	S	.	.			trans	-104.3	129.9	-178	-173.2	-71.3	0	0	0	112	G209 V215 C216 R217 A235 T236	G209-N213 WeakPolarHBondContact O-CA 3.42Å; G209-N213 WeakPolarHBondContact O-CB 3.21Å; G209-N213 PolarHBondContact O-N 3.3Å; N213-V215 PolarHBondContact O-N 2.92Å; N213-V215 WeakPolarHBondContact OD1-CA 3.45Å; N213-V215 WeakPolarHBondContact OD1-CB 3.46Å; N213-V215 PolarHBondContact OD1-N 3.05Å; N213-C216 HydrophobicContact CB-CB 4.14Å; N213-C216 PolarHBondContact O-N 3.24Å; N213-C216 PolarHBondContact OD1-N 3.48Å; N213-R217 WeakPolarHBondContact O-CB 3.37Å; N213-R217 WeakPolarHBondContact O-CG 3.15Å; N213-R217 PolarHBondContact O-N 2.7Å; N213-A235 PolarHBondContact ND2-O 3.42Å; N213-T236 HydrophobicContact CB-CG2 4.44Å
214	T	97.1	Very high	94.5	Very high	119 Å²	119	67.1 Å²	67.1	73%	0.73	34%	0.344	S	S	*	.	H	α-helix	trans	-65.7	-35.1	-176.4	52.8	0	0	0	0	113.2	R217 S218	T214-R217 PolarHBondContact O-N 3.3Å; T214-S218 WeakPolarHBondContact O-CB 3.27Å; T214-S218 PolarHBondContact O-N 3.24Å
215	V	96.7	Very high	94.4	Very high	62 Å²	62	64.4 Å²	64.4	38%	0.376	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-44.2	177.4	179.3	0	0	0	0	110.3	N213 R217 S218 K228 A235	N213-V215 PolarHBondContact O-N 2.92Å; N213-V215 WeakPolarHBondContact OD1-CA 3.45Å; N213-V215 WeakPolarHBondContact OD1-CB 3.46Å; N213-V215 PolarHBondContact OD1-N 3.05Å; V215-R217 VanDerWaalsContact C-N 3.29Å; V215-R217 PolarHBondContact O-N 2.8Å; V215-S218 PolarHBondContact O-N 2.58Å; V215-S218 PolarHBondContact O-OG 2.78Å; V215-K228 PolarHBondContact O-NZ 3.47Å; V215-A235 HydrophobicContact CB-CB 3.64Å; V215-A235 HydrophobicContact CG1-CB 3.93Å; V215-A235 HydrophobicContact CG2-CB 4.02Å
216	C	96.7	Very high	94.3	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-39.4	175.8	-66.8	0	0	0	0	111.7	G209 L210 N213 K228 C232	G209-C216 VanDerWaalsContact C-CB 3.49Å; G209-C216 WeakPolarHBondContact O-CB 3.31Å; L210-C216 HydrophobicContact CD2-CB 4.43Å; N213-C216 HydrophobicContact CB-CB 4.14Å; N213-C216 PolarHBondContact O-N 3.24Å; N213-C216 PolarHBondContact OD1-N 3.48Å; C216-K228 WeakPolarHBondContact O-CE 3.06Å; C216-K228 PolarHBondContact O-NZ 2.9Å; C216-C232 HydrophobicContact CB-CB 3.94Å; C216-C232 WeakPolarHBondContact CB-SG 3.48Å; C216-C232 WeakPolarHBondContact SG-CA 3.36Å; C216-C232 WeakPolarHBondContact SG-CB 3.44Å; C216-C232 CovalentContact SG-SG 2.04Å; C216-C232 PolarHBondContact SG-SG 3.35Å
217	R	94.6	Very high	94.2	Very high	166 Å²	166	63.4 Å²	63.4	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-81.2	-12.1	179.8	-70.6	177.3	55.6	172.5	-3.1	115.3	L210 E211 N213 T214 V215	L210-R217 WeakPolarHBondContact O-CG 3.32Å; E211-R217 WeakPolarHBondContact O-CD 3.45Å; E211-R217 PolarHBondContact O-NH1 3.27Å; N213-R217 WeakPolarHBondContact O-CB 3.37Å; N213-R217 WeakPolarHBondContact O-CG 3.15Å; N213-R217 PolarHBondContact O-N 2.7Å; T214-R217 PolarHBondContact O-N 3.3Å; V215-R217 VanDerWaalsContact C-N 3.29Å; V215-R217 PolarHBondContact O-N 2.8Å
218	S	92.8	Very high	94.1	Very high	40 Å²	40	62.9 Å²	62.9	28%	0.28	32%	0.32	S	S	.	.	S	Bend	trans	-67.5	149.6	-176.2	77.7	0	0	0	0	112.9	T214 V215 K220 K228	T214-S218 WeakPolarHBondContact O-CB 3.27Å; T214-S218 PolarHBondContact O-N 3.24Å; V215-S218 PolarHBondContact O-N 2.58Å; V215-S218 PolarHBondContact O-OG 2.78Å; S218-K220 PolarHBondContact O-N 2.54Å; S218-K228 PolarHBondContact O-NZ 3.1Å; S218-K228 PolarHBondContact OG-NZ 3.08Å
219	N	90	Very high	94.1	Very high	143 Å²	143	58.6 Å²	58.6	77%	0.765	30%	0.297	S	S	*	.			trans	-76.7	-1.6	172.4	-67.3	-26.3	0	0	0	114.4	H221 T222	N219-H221 PolarHBondContact O-N 2.76Å; N219-T222 WeakPolarHBondContact O-CG2 3.49Å; N219-T222 PolarHBondContact O-OG1 3.26Å
220	K	87.4	Confident	94.1	Very high	142 Å²	142	58.6 Å²	58.6	62%	0.617	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	132.3	175.2	-170.7	-179.8	175.3	-176.2	0	110.4	S218 T222 K228	S218-K220 PolarHBondContact O-N 2.54Å; K220-T222 VanDerWaalsContact C-N 3.25Å; K220-T222 PolarHBondContact O-N 2.8Å; K220-K228 WeakPolarHBondContact O-CD 3.43Å
221	H	86.8	Confident	94.1	Very high	38 Å²	38	58.8 Å²	58.8	18%	0.176	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	16.3	178.5	-58.6	-54.5	0	0	0	116.9	N219 F223 A224 V227	N219-H221 PolarHBondContact O-N 2.76Å; H221-F223 PolarHBondContact O-N 3.43Å; H221-A224 CarbonylContact O-C 3.46Å; H221-A224 PolarHBondContact O-N 3.35Å; H221-A224 VanDerWaalsContact O-O 3.06Å; H221-V227 HydrophobicContact CB-CB 4.41Å; H221-V227 HydrophobicContact CB-CG1 3.87Å
222	T	85.1	Confident	94.2	Very high	34 Å²	34	53.8 Å²	53.8	21%	0.209	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.8	179.8	51.5	0	0	0	0	114.3	W127 N219 K220 A224	W127-T222 WeakPolarHBondContact CB-O 3.46Å; N219-T222 WeakPolarHBondContact O-CG2 3.49Å; N219-T222 PolarHBondContact O-OG1 3.26Å; K220-T222 VanDerWaalsContact C-N 3.25Å; K220-T222 PolarHBondContact O-N 2.8Å; T222-A224 VanDerWaalsContact C-N 3.28Å; T222-A224 PolarHBondContact O-N 3.25Å
223	F	85.5	Confident	94.3	Very high	138 Å²	138	48.3 Å²	48.3	61%	0.605	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.7	174	65.7	-94.6	0	0	0	114.3	H221	H221-F223 PolarHBondContact O-N 3.43Å
224	A	92.5	Very high	94.3	Very high	20 Å²	20	49.8 Å²	49.8	17%	0.165	25%	0.253	C	S	.	.			trans	-125.4	92.3	179.1	0	0	0	0	0	108.8	H221 T222 D226 V227 K228	H221-A224 CarbonylContact O-C 3.46Å; H221-A224 PolarHBondContact O-N 3.35Å; H221-A224 VanDerWaalsContact O-O 3.06Å; T222-A224 VanDerWaalsContact C-N 3.28Å; T222-A224 PolarHBondContact O-N 3.25Å; A224-D226 VanDerWaalsContact C-N 3.29Å; A224-D226 PolarHBondContact O-N 3.3Å; A224-V227 HydrophobicContact CB-CB 3.98Å; A224-V227 HydrophobicContact CB-CG2 3.95Å; A224-V227 PolarHBondContact O-N 2.79Å; A224-K228 WeakPolarHBondContact O-CB 3.48Å; A224-K228 PolarHBondContact O-N 3.43Å
225	E	95.7	Very high	94.4	Very high	11 Å²	11	45.6 Å²	45.6	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-52.7	-43.9	-174.1	177.5	-83.3	153.1	0	0	113.4	L126 T130 Y196 K228 L229	L126-E225 HydrophobicContact CB-CB 3.73Å; L126-E225 HydrophobicContact CB-CG 4.15Å; T130-E225 WeakPolarHBondContact CB-OE1 3.35Å; T130-E225 HydrophobicContact CG2-CG 4.48Å; T130-E225 WeakPolarHBondContact CG2-OE1 3.06Å; T130-E225 VanDerWaalsContact OG1-CD 3.25Å; T130-E225 WeakPolarHBondContact OG1-CG 3.44Å; T130-E225 PolarHBondContact OG1-OE1 3.1Å; Y196-E225 PolarHBondContact OH-OE1 2.81Å; E225-K228 PolarHBondContact O-N 3.29Å; E225-L229 WeakPolarHBondContact O-CB 3.25Å; E225-L229 PolarHBondContact O-N 3.33Å
226	D	96.6	Very high	94.4	Very high	33 Å²	33	43.3 Å²	43.3	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-46.3	-179.6	53.9	-5.8	0	0	0	113.1	Y189 M190 G192 A224 K228 L229 G230	Y189-D226 HydrophobicContact CD2-CB 3.97Å; Y189-D226 HydrophobicContact CE2-CB 4.23Å; M190-D226 VanDerWaalsContact O-CB 3.3Å; M190-D226 WeakPolarHBondContact O-CB 3.43Å; G192-D226 PolarHBondContact N-OD2 3.28Å; A224-D226 VanDerWaalsContact C-N 3.29Å; A224-D226 PolarHBondContact O-N 3.3Å; D226-K228 VanDerWaalsContact C-N 3.28Å; D226-K228 PolarHBondContact O-N 2.94Å; D226-L229 PolarHBondContact O-N 2.03Å; D226-G230 PolarHBondContact O-N 2.99Å
227	V	97	Very high	94.5	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-41.2	174.2	176.1	0	0	0	0	110.6	F184 V185 Y189 H221 A224 G230 S231	F184-V227 HydrophobicContact CB-CG1 3.59Å; F184-V227 HydrophobicContact CB-CG2 4.42Å; F184-V227 HydrophobicContact CD2-CG1 4.44Å; F184-V227 HydrophobicContact CD2-CG2 3.77Å; F184-V227 HydrophobicContact CG-CG1 4.24Å; F184-V227 HydrophobicContact CG-CG2 4.37Å; V185-V227 HydrophobicContact CG2-CG1 4.22Å; Y189-V227 HydrophobicContact CD2-CG2 3.98Å; Y189-V227 HydrophobicContact CE1-CG2 4.23Å; Y189-V227 HydrophobicContact CE2-CG2 3.58Å; Y189-V227 HydrophobicContact CG-CG2 4.43Å; H221-V227 HydrophobicContact CB-CB 4.41Å; H221-V227 HydrophobicContact CB-CG1 3.87Å; A224-V227 HydrophobicContact CB-CB 3.98Å; A224-V227 HydrophobicContact CB-CG2 3.95Å; A224-V227 PolarHBondContact O-N 2.79Å; V227-G230 PolarHBondContact O-N 2.88Å; V227-S231 PolarHBondContact O-N 3.08Å; V227-S231 PolarHBondContact O-OG 3.2Å
228	K	97.2	Very high	94.7	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-41.4	-179.5	179.7	59.1	-175.2	-172	0	112.1	W127 V215 C216 S218 K220 A224 E225 D226 S231 C232	W127-K228 HydrophobicContact CB-CG 4.41Å; W127-K228 HydrophobicContact CD2-CB 3.9Å; W127-K228 HydrophobicContact CD2-CD 4.4Å; W127-K228 HydrophobicContact CD2-CG 3.16Å; W127-K228 HydrophobicContact CE3-CB 3.89Å; W127-K228 HydrophobicContact CE3-CG 3.53Å; W127-K228 HydrophobicContact CG-CB 4.21Å; W127-K228 HydrophobicContact CG-CG 3.56Å; W127-K228 HydrophobicContact CH2-CG 3.96Å; W127-K228 HydrophobicContact CZ2-CD 4.24Å; W127-K228 HydrophobicContact CZ2-CG 3.62Å; W127-K228 HydrophobicContact CZ3-CB 4.37Å; W127-K228 HydrophobicContact CZ3-CG 3.93Å; V215-K228 PolarHBondContact O-NZ 3.47Å; C216-K228 WeakPolarHBondContact O-CE 3.06Å; C216-K228 PolarHBondContact O-NZ 2.9Å; S218-K228 PolarHBondContact O-NZ 3.1Å; S218-K228 PolarHBondContact OG-NZ 3.08Å; K220-K228 WeakPolarHBondContact O-CD 3.43Å; A224-K228 WeakPolarHBondContact O-CB 3.48Å; A224-K228 PolarHBondContact O-N 3.43Å; E225-K228 PolarHBondContact O-N 3.29Å; D226-K228 VanDerWaalsContact C-N 3.28Å; D226-K228 PolarHBondContact O-N 2.94Å; K228-S231 PolarHBondContact O-N 3.41Å; K228-C232 PolarHBondContact O-N 3.15Å
229	L	98	Very high	95	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-47.5	171.6	-176.8	66.5	0	0	0	110.7	W127 I134 I176 Y196 I206 E225 D226 S231 C232 A233	W127-L229 HydrophobicContact CH2-CD1 4.46Å; W127-L229 HydrophobicContact CZ3-CB 3.88Å; W127-L229 HydrophobicContact CZ3-CD1 4.07Å; I134-L229 HydrophobicContact CD1-CD1 3.69Å; I176-L229 HydrophobicContact CD1-CD2 3.75Å; I176-L229 HydrophobicContact CD1-CG 4.24Å; Y196-L229 HydrophobicContact CD1-CD2 4.38Å; Y196-L229 HydrophobicContact CD2-CD2 3.89Å; Y196-L229 HydrophobicContact CE1-CD2 3.78Å; Y196-L229 HydrophobicContact CE2-CD2 3.24Å; Y196-L229 HydrophobicContact CG-CD2 4.44Å; Y196-L229 WeakPolarHBondContact OH-CD2 3.13Å; I206-L229 HydrophobicContact CD1-CD1 3.97Å; I206-L229 HydrophobicContact CG2-CD1 4.12Å; E225-L229 WeakPolarHBondContact O-CB 3.25Å; E225-L229 PolarHBondContact O-N 3.33Å; D226-L229 PolarHBondContact O-N 2.03Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.11Å; L229-C232 PolarHBondContact O-N 2.85Å; L229-C232 VanDerWaalsContact O-N 3.12Å; L229-A233 WeakPolarHBondContact O-CB 3.22Å; L229-A233 PolarHBondContact O-N 3.33Å
230	G	98	Very high	95.4	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-41.1	177.6	0	0	0	0	0	113	D226 V227 A233 E234	D226-G230 PolarHBondContact O-N 2.99Å; V227-G230 PolarHBondContact O-N 2.88Å; G230-A233 PolarHBondContact O-N 2.75Å; G230-E234 PolarHBondContact O-N 3.38Å
231	S	97.9	Very high	95.9	Very high	18 Å²	18	32.2 Å²	32.2	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-41.5	175	-56.9	0	0	0	0	112.1	V227 K228 L229 A235	V227-S231 PolarHBondContact O-N 3.08Å; V227-S231 PolarHBondContact O-OG 3.2Å; K228-S231 PolarHBondContact O-N 3.41Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.11Å; S231-A235 WeakPolarHBondContact O-CB 3.42Å; S231-A235 PolarHBondContact O-N 3.19Å; S231-A235 VanDerWaalsContact O-N 3.09Å
232	C	98.4	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-39	177.6	-176.5	0	0	0	0	111.8	W127 C216 K228 L229 A235 T236	W127-C232 HydrophobicContact CH2-CB 4.23Å; C216-C232 HydrophobicContact CB-CB 3.94Å; C216-C232 WeakPolarHBondContact CB-SG 3.48Å; C216-C232 WeakPolarHBondContact SG-CA 3.36Å; C216-C232 WeakPolarHBondContact SG-CB 3.44Å; C216-C232 CovalentContact SG-SG 2.04Å; C216-C232 PolarHBondContact SG-SG 3.35Å; K228-C232 PolarHBondContact O-N 3.15Å; L229-C232 PolarHBondContact O-N 2.85Å; L229-C232 VanDerWaalsContact O-N 3.12Å; C232-A235 PolarHBondContact O-N 3.08Å; C232-T236 WeakPolarHBondContact O-CB 3.43Å; C232-T236 WeakPolarHBondContact O-CG2 3.05Å; C232-T236 PolarHBondContact O-N 3.3Å; C232-T236 PolarHBondContact O-OG1 2.97Å
233	A	98.6	Very high	96.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.7	-48.3	173.2	0	0	0	0	0	111	I206 L229 G230 A235 T236 N237 V238	I206-A233 HydrophobicContact CD1-CB 4.13Å; L229-A233 WeakPolarHBondContact O-CB 3.22Å; L229-A233 PolarHBondContact O-N 3.33Å; G230-A233 PolarHBondContact O-N 2.75Å; A233-A235 VanDerWaalsContact C-N 3.34Å; A233-A235 PolarHBondContact O-N 3.22Å; A233-T236 CarbonylContact O-C 3.47Å; A233-T236 PolarHBondContact O-N 3.2Å; A233-T236 VanDerWaalsContact O-N 3.15Å; A233-T236 PolarHBondContact O-OG1 2.81Å; A233-N237 PolarHBondContact O-N 2.89Å; A233-V238 CarbonylContact C-O 3.51Å; A233-V238 HydrophobicContact CB-CB 3.89Å; A233-V238 HydrophobicContact CB-CG1 4.23Å; A233-V238 PolarHBondContact O-N 3.21Å
234	E	98.2	Very high	97.4	Very high	71 Å²	71	28.1 Å²	28.1	33%	0.332	16%	0.163	S	C	.	.	H	α-helix	trans	-59.3	-45.7	176.6	-172.3	169.8	-113.9	0	0	111.4	V185 K186 Q187 G230 T236 N237	V185-E234 HydrophobicContact CG1-CB 4.23Å; K186-E234 WeakPolarHBondContact CB-OE1 3.5Å; Q187-E234 HydrophobicContact CG-CB 4.03Å; Q187-E234 HydrophobicContact CG-CG 4.1Å; Q187-E234 WeakPolarHBondContact CG-OE1 2.95Å; Q187-E234 PolarHBondContact N-OE1 3.22Å; Q187-E234 VanDerWaalsContact NE2-N 3.12Å; G230-E234 PolarHBondContact O-N 3.38Å; E234-T236 PolarHBondContact O-N 3.11Å; E234-N237 PolarHBondContact O-N 3.45Å
235	A	98.1	Very high	97.5	Very high	30 Å²	30	28.6 Å²	28.6	25%	0.248	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-13.7	-179.5	0	0	0	0	0	114.4	N213 V215 S231 C232 A233	N213-A235 PolarHBondContact ND2-O 3.42Å; V215-A235 HydrophobicContact CB-CB 3.64Å; V215-A235 HydrophobicContact CG1-CB 3.93Å; V215-A235 HydrophobicContact CG2-CB 4.02Å; S231-A235 WeakPolarHBondContact O-CB 3.42Å; S231-A235 PolarHBondContact O-N 3.19Å; S231-A235 VanDerWaalsContact O-N 3.09Å; C232-A235 PolarHBondContact O-N 3.08Å; A233-A235 VanDerWaalsContact C-N 3.34Å; A233-A235 PolarHBondContact O-N 3.22Å
236	T	98.5	Very high	97.3	Very high	15 Å²	15	32.8 Å²	32.8	9%	0.092	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	18.5	-178.3	55.6	0	0	0	0	112.7	N205 N213 C232 A233 E234 V238	N205-T236 PolarHBondContact ND2-O 3.33Å; N213-T236 HydrophobicContact CB-CG2 4.44Å; C232-T236 WeakPolarHBondContact O-CB 3.43Å; C232-T236 WeakPolarHBondContact O-CG2 3.05Å; C232-T236 PolarHBondContact O-N 3.3Å; C232-T236 PolarHBondContact O-OG1 2.97Å; A233-T236 CarbonylContact O-C 3.47Å; A233-T236 PolarHBondContact O-N 3.2Å; A233-T236 VanDerWaalsContact O-N 3.15Å; A233-T236 PolarHBondContact O-OG1 2.81Å; E234-T236 PolarHBondContact O-N 3.11Å; T236-V238 PolarHBondContact O-N 3.47Å
237	N	98.2	Very high	97.1	Very high	135 Å²	135	36.6 Å²	36.6	72%	0.722	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	31.5	-179.6	-58.6	-45.1	0	0	0	113.5	A233 E234	A233-N237 PolarHBondContact O-N 2.89Å; E234-N237 PolarHBondContact O-N 3.45Å
238	V	98.8	Very high	97	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	23%	0.227	C	C	.	.			trans	-89.5	109.2	167.9	-178	0	0	0	0	107.9	P174 F175 I176 Q187 L198 N205 I206 A233 T236	P174-V238 HydrophobicContact CB-CG2 4.17Å; F175-V238 VanDerWaalsContact C-CG1 3.43Å; I176-V238 HydrophobicContact CB-CG1 4.17Å; I176-V238 HydrophobicContact CG2-CG1 4.39Å; Q187-V238 PolarHBondContact NE2-O 3.09Å; Q187-V238 VanDerWaalsContact NE2-O 3.13Å; L198-V238 HydrophobicContact CD2-CG1 4.29Å; N205-V238 HydrophobicContact CB-CG2 3.76Å; I206-V238 HydrophobicContact CD1-CG1 4.46Å; I206-V238 HydrophobicContact CD1-CG2 4.25Å; I206-V238 HydrophobicContact CG1-CG2 3.92Å; A233-V238 CarbonylContact C-O 3.51Å; A233-V238 HydrophobicContact CB-CB 3.89Å; A233-V238 HydrophobicContact CB-CG1 4.23Å; A233-V238 PolarHBondContact O-N 3.21Å; T236-V238 PolarHBondContact O-N 3.47Å
239	S	98.3	Very high	96.9	Very high	58 Å²	58	38.7 Å²	38.7	41%	0.406	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	155.8	-177.1	61.8	0	0	0	0	112	P174 F175 I176	P174-S239 PolarHBondContact O-N 3.12Å; P174-S239 PolarHBondContact O-OG 2.85Å; P174-S239 VanDerWaalsContact O-OG 3.1Å; F175-S239 CarbonylContact C-O 3.54Å; F175-S239 WeakPolarHBondContact CA-O 3.38Å; F175-S239 WeakPolarHBondContact CB-O 3.04Å; I176-S239 PolarHBondContact N-O 3.25Å
240	I	98.3	Very high	96.8	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.133	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.1	169.8	-71.4	169.9	0	0	0	109.4	I176 R180 Q187 G188 M190	I176-I240 HydrophobicContact CG2-CG1 3.81Å; I176-I240 WeakPolarHBondContact O-CA 3.16Å; R180-I240 HydrophobicContact CG-CG2 4.36Å; Q187-I240 HydrophobicContact CB-CD1 4.35Å; Q187-I240 HydrophobicContact CG-CD1 3.91Å; Q187-I240 VanDerWaalsContact O-CD1 3.28Å; Q187-I240 WeakPolarHBondContact O-CD1 3.01Å; G188-I240 VanDerWaalsContact C-CD1 3.47Å; G188-I240 WeakPolarHBondContact O-CD1 3.1Å; M190-I240 HydrophobicContact CE-CB 4.29Å; M190-I240 HydrophobicContact CE-CD1 3.52Å; M190-I240 HydrophobicContact CE-CG1 3.71Å; M190-I240 HydrophobicContact CE-CG2 3.59Å
241	V	98	Very high	96.8	Very high	39 Å²	39	38.8 Å²	38.8	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.1	166.2	177.5	0	0	0	0	107.8	F175 I176 M177	F175-V241 HydrophobicContact CB-CB 4.4Å; F175-V241 HydrophobicContact CB-CG2 3.58Å; F175-V241 HydrophobicContact CD2-CB 4.24Å; F175-V241 HydrophobicContact CD2-CG2 4.18Å; F175-V241 HydrophobicContact CG-CB 4.45Å; F175-V241 HydrophobicContact CG-CG2 3.88Å; I176-V241 PolarHBondContact O-N 3.36Å; M177-V241 HydrophobicContact CE-CB 4Å; M177-V241 HydrophobicContact CE-CG1 3.46Å; M177-V241 VanDerWaalsContact CE-CG1 3.46Å; M177-V241 WeakPolarHBondContact CG-O 3.35Å
242	D	97	Very high	96.8	Very high	65 Å²	65	38 Å²	38	35%	0.348	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.2	178.3	-70.4	-43.8	0	0	0	110.5	R180 H278	R180-D242 WeakPolarHBondContact CD-OD1 3.42Å; R180-D242 IonicContact NH1-OD1 2.81Å; R180-D242 PolarHBondContact NH1-OD1 3.34Å; R180-D242 IonicContact NH1-OD2 3.55Å; R180-D242 PolarHBondContact NH1-OD2 2.8Å; D242-H278 IonicContact OD1-CE1 3.24Å; D242-H278 IonicContact OD1-NE2 3.68Å; D242-H278 PolarHBondContact OD1-NE2 3.08Å; D242-H278 IonicContact OD2-CE1 3.24Å; D242-H278 IonicContact OD2-NE2 3.89Å
243	S	96.2	Very high	96.8	Very high	4 Å²	4	38 Å²	38	3%	0.028	23%	0.225	C	C	.	.			trans	-103.3	23.4	-175.2	61.8	0	0	0	0	113.3	G178 C251 F252	G178-S243 PolarHBondContact O-OG 2.69Å; S243-C251 WeakPolarHBondContact O-CB 3.3Å; S243-C251 PolarHBondContact O-SG 3.33Å; S243-F252 VanDerWaalsContact OG-CD2 3.3Å; S243-F252 WeakPolarHBondContact OG-CD2 3.49Å
244	L	96.2	Very high	96.7	Very high	55 Å²	55	38.1 Å²	38.1	29%	0.288	23%	0.226	S	C	.	.			trans	-72.1	148	-178.2	-55.1	-179.3	0	0	0	111.2	R249 E250	L244-R249 CarbonylContact C-O 3.56Å; L244-R249 VanDerWaalsContact CA-O 3.26Å; L244-R249 WeakPolarHBondContact CA-O 3.37Å; L244-E250 HydrophobicContact CD2-CB 4.42Å; L244-E250 HydrophobicContact CD2-CG 3.64Å
245	D	93.7	Very high	96.6	Very high	29 Å²	29	35.1 Å²	35.1	16%	0.155	21%	0.212	C	C	.	.			trans	-78.8	-175.5	170.1	71.6	12.2	0	0	0	112.8	E247 G248 R249 S288	D245-E247 PolarHBondContact O-N 3.26Å; D245-E247 WeakPolarHBondContact OD1-CA 3.33Å; D245-E247 PolarHBondContact OD1-N 2.89Å; D245-G248 PolarHBondContact O-N 3.43Å; D245-G248 PolarHBondContact OD1-N 2.99Å; D245-G248 VanDerWaalsContact OD1-N 3.1Å; D245-R249 PolarHBondContact N-O 3.43Å; D245-R249 WeakPolarHBondContact OD1-CB 3.5Å; D245-R249 PolarHBondContact OD1-N 3.41Å; D245-R249 IonicContact OD1-NE 2.8Å; D245-R249 WeakPolarHBondContact OD2-CB 3.49Å; D245-R249 IonicContact OD2-CZ 2.69Å; D245-R249 VanDerWaalsContact OD2-CZ 3.25Å; D245-R249 IonicContact OD2-NE 3.63Å; D245-R249 PolarHBondContact OD2-NE 3.32Å; D245-R249 IonicContact OD2-NH2 3.56Å; D245-R249 PolarHBondContact OD2-NH2 3.06Å; D245-R249 VanDerWaalsContact OD2-NH2 3.14Å; D245-S288 WeakPolarHBondContact CB-OG 3.36Å; D245-S288 VanDerWaalsContact OD2-CA 3.29Å; D245-S288 WeakPolarHBondContact OD2-CA 3.26Å; D245-S288 WeakPolarHBondContact OD2-CB 3.47Å; D245-S288 PolarHBondContact OD2-OG 3.3Å
246	A	91.9	Very high	96.5	Very high	100 Å²	100	34.4 Å²	34.4	83%	0.826	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.4	-177.3	0	0	0	0	0	113
247	E	92.7	Very high	96.3	Very high	113 Å²	113	34.7 Å²	34.7	53%	0.528	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.6	176.6	-61.3	74.2	-140.6	0	0	112.5	D245 R249 R279	D245-E247 PolarHBondContact O-N 3.26Å; D245-E247 WeakPolarHBondContact OD1-CA 3.33Å; D245-E247 PolarHBondContact OD1-N 2.89Å; E247-R249 HydrophobicContact CB-CG 4.18Å; E247-R249 IonicContact OE2-CZ 3.41Å; E247-R249 IonicContact OE2-NE 3.66Å; E247-R249 IonicContact OE2-NH2 3.33Å; E247-R249 PolarHBondContact OE2-NH2 3.46Å; E247-R279 PolarHBondContact O-NH2 2.85Å
248	G	94.3	Very high	96.1	Very high	23 Å²	23	31 Å²	31	24%	0.237	19%	0.192	C	C	.	.	S	Bend	trans	79.4	17.5	-177.6	0	0	0	0	0	113.8	D245	D245-G248 PolarHBondContact O-N 3.43Å; D245-G248 PolarHBondContact OD1-N 2.99Å; D245-G248 VanDerWaalsContact OD1-N 3.1Å
249	R	95.6	Very high	95.8	Very high	25 Å²	25	33.1 Å²	33.1	9%	0.094	20%	0.202	C	C	.	.			trans	-85.2	150.7	177.3	-54.7	174.2	-70.1	175	-9.9	110.3	L244 D245 E247 C287 D289	L244-R249 CarbonylContact C-O 3.56Å; L244-R249 VanDerWaalsContact CA-O 3.26Å; L244-R249 WeakPolarHBondContact CA-O 3.37Å; D245-R249 PolarHBondContact N-O 3.43Å; D245-R249 WeakPolarHBondContact OD1-CB 3.5Å; D245-R249 PolarHBondContact OD1-N 3.41Å; D245-R249 IonicContact OD1-NE 2.8Å; D245-R249 WeakPolarHBondContact OD2-CB 3.49Å; D245-R249 IonicContact OD2-CZ 2.69Å; D245-R249 VanDerWaalsContact OD2-CZ 3.25Å; D245-R249 IonicContact OD2-NE 3.63Å; D245-R249 PolarHBondContact OD2-NE 3.32Å; D245-R249 IonicContact OD2-NH2 3.56Å; D245-R249 PolarHBondContact OD2-NH2 3.06Å; D245-R249 VanDerWaalsContact OD2-NH2 3.14Å; E247-R249 HydrophobicContact CB-CG 4.18Å; E247-R249 IonicContact OE2-CZ 3.41Å; E247-R249 IonicContact OE2-NE 3.66Å; E247-R249 IonicContact OE2-NH2 3.33Å; E247-R249 PolarHBondContact OE2-NH2 3.46Å; R249-C287 PolarHBondContact NH1-O 2.89Å; R249-D289 IonicContact CZ-OD2 3.26Å; R249-D289 IonicContact NH1-OD1 2.86Å; R249-D289 PolarHBondContact NH1-OD1 2.67Å; R249-D289 IonicContact NH1-OD2 3.82Å; R249-D289 PolarHBondContact NH1-OD2 2.86Å; R249-D289 IonicContact NH2-OD2 3.72Å; R249-D289 PolarHBondContact NH2-OD2 2.6Å
250	E	96.7	Very high	95.6	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.028	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-80.3	143.3	-175.6	-71.2	-99.4	-152.9	0	0	111.6	R179 L244 H253 H278 S288	R179-E250 WeakPolarHBondContact CD-OE1 3.41Å; R179-E250 WeakPolarHBondContact CD-OE2 3.34Å; R179-E250 VanDerWaalsContact CZ-CG 3.46Å; R179-E250 IonicContact CZ-OE1 3.03Å; R179-E250 VanDerWaalsContact CZ-OE1 3.24Å; R179-E250 IonicContact CZ-OE2 2.69Å; R179-E250 IonicContact NE-OE1 3.84Å; R179-E250 PolarHBondContact NE-OE1 2.68Å; R179-E250 IonicContact NE-OE2 2.58Å; R179-E250 IonicContact NH1-OE1 3.46Å; R179-E250 IonicContact NH1-OE2 2.83Å; R179-E250 IonicContact NH2-OE1 2.93Å; L244-E250 HydrophobicContact CD2-CB 4.42Å; L244-E250 HydrophobicContact CD2-CG 3.64Å; E250-H253 PolarHBondContact O-CE1 2.9Å; E250-H253 PolarHBondContact O-NE2 3.24Å; E250-H253 VanDerWaalsContact O-NE2 3.15Å; E250-H278 IonicContact OE1-CD2 3.95Å; E250-H278 PolarHBondContact OE1-CD2 3.27Å; E250-H278 IonicContact OE1-CG 2.85Å; E250-S288 PolarHBondContact O-N 2.65Å
251	C	97.5	Very high	95.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	19%	0.193	C	C	.	.	S	Bend	trans	-100.5	-19.1	177.3	-66.3	0	0	0	0	113.5	S243 V292 S293	S243-C251 WeakPolarHBondContact O-CB 3.3Å; S243-C251 PolarHBondContact O-SG 3.33Å; C251-V292 HydrophobicContact CB-CB 4.38Å; C251-V292 HydrophobicContact CB-CG2 4.03Å; C251-V292 WeakPolarHBondContact O-CA 3.48Å; C251-V292 WeakPolarHBondContact O-CB 3.24Å; C251-V292 PolarHBondContact O-N 3.43Å; C251-S293 PolarHBondContact O-N 3.5Å
252	F	98.3	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-115.3	128	-178.1	-67.6	-108.9	0	0	0	109.4	M149 L162 I165 M177 R179 V197 S243 V292 S293	M149-F252 HydrophobicContact CE-CD1 4.34Å; M149-F252 HydrophobicContact CE-CE1 3.84Å; M149-F252 HydrophobicContact SD-CE1 4.06Å; L162-F252 HydrophobicContact CD1-CZ 4.07Å; I165-F252 HydrophobicContact CD1-CE2 3.7Å; I165-F252 HydrophobicContact CD1-CZ 4.14Å; M177-F252 HydrophobicContact CG-CE2 4.35Å; R179-F252 HydrophobicContact CB-CB 3.97Å; R179-F252 WeakPolarHBondContact CB-O 3.21Å; R179-F252 WeakPolarHBondContact CD-O 2.78Å; V197-F252 HydrophobicContact CG1-CZ 4.38Å; S243-F252 VanDerWaalsContact OG-CD2 3.3Å; S243-F252 WeakPolarHBondContact OG-CD2 3.49Å; F252-V292 HydrophobicContact CD1-CB 4.47Å; F252-V292 HydrophobicContact CD1-CG1 4.11Å; F252-V292 HydrophobicContact CD2-CB 4.29Å; F252-V292 HydrophobicContact CE1-CB 4.24Å; F252-V292 HydrophobicContact CE1-CG1 3.56Å; F252-V292 HydrophobicContact CE2-CB 4.04Å; F252-V292 HydrophobicContact CE2-CG1 4.13Å; F252-V292 HydrophobicContact CE2-CG2 4.12Å; F252-V292 HydrophobicContact CG-CB 4.49Å; F252-V292 HydrophobicContact CZ-CB 4.03Å; F252-V292 HydrophobicContact CZ-CG1 3.59Å; F252-V292 HydrophobicContact CZ-CG2 4.28Å; F252-S293 WeakPolarHBondContact CD1-OG 3.47Å
253	H	97.5	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.215	C	C	.	.			trans	-124.3	122.9	-170.9	-55.5	-69	0	0	0	111.9	E250 F255 M260 C287 S293 F294 H295	E250-H253 PolarHBondContact O-CE1 2.9Å; E250-H253 PolarHBondContact O-NE2 3.24Å; E250-H253 VanDerWaalsContact O-NE2 3.15Å; H253-F255 PolarHBondContact O-N 3.16Å; H253-M260 HydrophobicContact CB-CG 4.05Å; H253-M260 HydrophobicContact CB-SD 4.16Å; H253-M260 WeakPolarHBondContact ND1-CE 3.37Å; H253-C287 PolarHBondContact CE1-SG 2.83Å; H253-S293 WeakPolarHBondContact CB-O 3.37Å; H253-S293 PolarHBondContact CD2-O 3.47Å; H253-S293 VanDerWaalsContact CD2-O 3.3Å; H253-S293 PolarHBondContact N-O 3.15Å; H253-F294 HydrophobicContact CB-CD1 3.6Å; H253-F294 HydrophobicContact CB-CE1 3.95Å; H253-F294 HydrophobicContact CB-CG 4.33Å; H253-F294 AromaticContact CD2-CD1 3.72Å; H253-F294 AromaticContact CD2-CE1 3.26Å; H253-F294 WeakPolarHBondContact CD2-CE1 3.44Å; H253-F294 AromaticContact CD2-CZ 3.53Å; H253-F294 AromaticContact CG-CD1 3.87Å; H253-F294 AromaticContact CG-CE1 3.68Å; H253-F294 WeakPolarHBondContact O-CA 3.44Å; H253-H295 PolarHBondContact O-N 2.98Å
254	P	96.5	Very high	94.1	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-82.7	15.1	179.6	35.3	-35	0	0	0	113.2	F181 S191 Y272 Y296	F181-P254 HydrophobicContact CZ-CG 4.24Å; S191-P254 WeakPolarHBondContact OG-CB 3.49Å; P254-Y272 HydrophobicContact CG-CD2 4.07Å; P254-Y272 HydrophobicContact CG-CE2 3.51Å; P254-Y296 WeakPolarHBondContact O-CE2 3.46Å
255	F	96.1	Very high	93.2	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.035	25%	0.247	C	C	.	.	S	Bend	trans	-140.8	171	176.7	-58.8	-71.7	0	0	0	110.6	H253 H259 M260 Y268 P269 W271 Y272 H295 Y296	H253-F255 PolarHBondContact O-N 3.16Å; F255-H259 HydrophobicContact CB-CB 3.86Å; F255-H259 AromaticContact CD1-ND1 3.88Å; F255-M260 HydrophobicContact CB-CG 4.26Å; F255-M260 HydrophobicContact CB-SD 3.97Å; F255-M260 HydrophobicContact CD2-SD 3.99Å; F255-M260 HydrophobicContact CG-SD 4.5Å; F255-Y268 HydrophobicContact CD2-CD1 4.12Å; F255-Y268 AromaticContact CD2-CE1 3.94Å; F255-Y268 HydrophobicContact CD2-CE1 3.94Å; F255-Y268 AromaticContact CE2-CD1 3.8Å; F255-Y268 HydrophobicContact CE2-CD1 3.8Å; F255-Y268 HydrophobicContact CE2-CE1 4.08Å; F255-Y268 HydrophobicContact CZ-CD1 4.44Å; F255-P269 HydrophobicContact CZ-CG 4.29Å; F255-W271 HydrophobicContact CE1-CH2 4.35Å; F255-W271 HydrophobicContact CE1-CZ2 4.06Å; F255-W271 HydrophobicContact CE2-CH2 4.35Å; F255-W271 AromaticContact CZ-CH2 3.69Å; F255-W271 HydrophobicContact CZ-CH2 3.69Å; F255-W271 AromaticContact CZ-CZ2 3.61Å; F255-W271 HydrophobicContact CZ-CZ2 3.61Å; F255-Y272 HydrophobicContact CD2-CE2 4.29Å; F255-Y272 AromaticContact CE2-CD1 3.9Å; F255-Y272 HydrophobicContact CE2-CD1 3.9Å; F255-Y272 AromaticContact CE2-CD2 3.56Å; F255-Y272 HydrophobicContact CE2-CD2 3.56Å; F255-Y272 HydrophobicContact CE2-CE1 4.07Å; F255-Y272 AromaticContact CE2-CE2 3.76Å; F255-Y272 HydrophobicContact CE2-CE2 3.76Å; F255-Y272 AromaticContact CE2-CG 3.62Å; F255-Y272 HydrophobicContact CE2-CG 3.62Å; F255-Y272 AromaticContact CE2-CZ 3.99Å; F255-Y272 HydrophobicContact CZ-CD2 4.24Å; F255-Y272 HydrophobicContact CZ-CG 4.16Å; F255-H295 CarbonylContact C-O 3.14Å; F255-H295 PolarHBondContact O-N 2.89Å; F255-Y296 HydrophobicContact CD1-CD2 4.11Å; F255-Y296 AromaticContact CD1-CE2 3.89Å; F255-Y296 HydrophobicContact CD1-CE2 3.89Å; F255-Y296 HydrophobicContact CE1-CE2 4.26Å
256	S	96.2	Very high	92.6	Very high	14 Å²	14	46.7 Å²	46.7	10%	0.098	28%	0.276	C	S	.	.			trans	-69.3	155	176.6	65.2	0	0	0	0	111	S258 H259 M260 H295	S256-S258 PolarHBondContact O-N 2.99Å; S256-S258 PolarHBondContact OG-OG 2.69Å; S256-H259 WeakPolarHBondContact O-CB 3.34Å; S256-H259 PolarHBondContact O-N 3.19Å; S256-H259 PolarHBondContact OG-N 2.83Å; S256-M260 WeakPolarHBondContact O-CG 3.34Å; S256-M260 PolarHBondContact O-N 2.97Å; S256-H295 VanDerWaalsContact CA-O 3.27Å; S256-H295 WeakPolarHBondContact CA-O 3.23Å; S256-H295 PolarHBondContact N-O 2.77Å
257	P	94.7	Very high	92.4	Very high	21 Å²	21	43.3 Å²	43.3	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-51.1	-42.3	171.1	-25.3	32.2	0	0	0	112.4	H259 M260 L261 F294 Y305	P257-H259 VanDerWaalsContact C-N 3.3Å; P257-H259 PolarHBondContact O-N 3.46Å; P257-M260 PolarHBondContact O-N 2.83Å; P257-L261 HydrophobicContact CB-CD1 4.29Å; P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.46Å; P257-L261 WeakPolarHBondContact O-CD1 3.37Å; P257-L261 WeakPolarHBondContact O-CG 3.49Å; P257-L261 PolarHBondContact O-N 2.73Å; P257-F294 HydrophobicContact CB-CD1 4.25Å; P257-F294 HydrophobicContact CB-CE1 4.19Å; P257-F294 HydrophobicContact CG-CB 4.14Å; P257-F294 HydrophobicContact CG-CD1 3.62Å; P257-F294 HydrophobicContact CG-CD2 3.95Å; P257-F294 HydrophobicContact CG-CE1 3.93Å; P257-F294 HydrophobicContact CG-CE2 4.25Å; P257-F294 HydrophobicContact CG-CG 3.63Å; P257-F294 HydrophobicContact CG-CZ 4.23Å; P257-Y305 VanDerWaalsContact CD-OH 3.24Å; P257-Y305 WeakPolarHBondContact CD-OH 3.19Å; P257-Y305 HydrophobicContact CG-CE2 3.74Å
258	S	93.8	Very high	92.4	Very high	59 Å²	59	38.4 Å²	38.4	41%	0.413	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-41.6	177.6	56.1	0	0	0	0	112.2	S256 T262	S256-S258 PolarHBondContact O-N 2.99Å; S256-S258 PolarHBondContact OG-OG 2.69Å; S258-T262 VanDerWaalsContact O-CB 3.32Å; S258-T262 WeakPolarHBondContact O-CB 3.35Å; S258-T262 VanDerWaalsContact O-CG2 3.3Å; S258-T262 WeakPolarHBondContact O-CG2 3.13Å; S258-T262 PolarHBondContact O-N 3.12Å; S258-T262 PolarHBondContact O-OG1 3.37Å
259	H	93.3	Very high	92.3	Very high	44 Å²	44	39.5 Å²	39.5	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-48	175.9	-159.1	139.4	0	0	0	111	F255 S256 P257 L261 K263 Y268	F255-H259 HydrophobicContact CB-CB 3.86Å; F255-H259 AromaticContact CD1-ND1 3.88Å; S256-H259 WeakPolarHBondContact O-CB 3.34Å; S256-H259 PolarHBondContact O-N 3.19Å; S256-H259 PolarHBondContact OG-N 2.83Å; P257-H259 VanDerWaalsContact C-N 3.3Å; P257-H259 PolarHBondContact O-N 3.46Å; H259-L261 VanDerWaalsContact C-N 3.33Å; H259-L261 PolarHBondContact O-N 3Å; H259-K263 WeakPolarHBondContact CD2-CG 3.11Å; H259-K263 WeakPolarHBondContact O-CB 3.4Å; H259-K263 WeakPolarHBondContact O-CG 3.39Å; H259-K263 PolarHBondContact O-N 3.15Å; H259-Y268 AromaticContact CD2-CD1 3.97Å; H259-Y268 AromaticContact CD2-CE1 3.61Å; H259-Y268 AromaticContact NE2-CD1 3.78Å; H259-Y268 AromaticContact NE2-CE1 3.93Å
260	M	93.9	Very high	92.2	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-41.8	-177.4	-66.3	-59.6	-54.6	0	0	112.6	H253 F255 S256 P257 Y268 C286 F294	H253-M260 HydrophobicContact CB-CG 4.05Å; H253-M260 HydrophobicContact CB-SD 4.16Å; H253-M260 WeakPolarHBondContact ND1-CE 3.37Å; F255-M260 HydrophobicContact CB-CG 4.26Å; F255-M260 HydrophobicContact CB-SD 3.97Å; F255-M260 HydrophobicContact CD2-SD 3.99Å; F255-M260 HydrophobicContact CG-SD 4.5Å; S256-M260 WeakPolarHBondContact O-CG 3.34Å; S256-M260 PolarHBondContact O-N 2.97Å; P257-M260 PolarHBondContact O-N 2.83Å; M260-Y268 WeakPolarHBondContact CA-OH 3.44Å; M260-Y268 PolarHBondContact O-OH 3.24Å; M260-Y268 HydrophobicContact SD-CE1 4.35Å; M260-C286 HydrophobicContact CE-CB 4.23Å; M260-F294 HydrophobicContact CG-CD1 4.39Å; M260-F294 HydrophobicContact CG-CE1 4.37Å
261	L	92.9	Very high	92.1	Very high	68 Å²	68	48.7 Å²	48.7	36%	0.356	27%	0.271	S	S	.	.	H	α-helix	trans	-85.1	-24.6	-173.8	-63.2	170.5	0	0	0	113.9	P257 H259 G283 F284	P257-L261 HydrophobicContact CB-CD1 4.29Å; P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.46Å; P257-L261 WeakPolarHBondContact O-CD1 3.37Å; P257-L261 WeakPolarHBondContact O-CG 3.49Å; P257-L261 PolarHBondContact O-N 2.73Å; H259-L261 VanDerWaalsContact C-N 3.33Å; H259-L261 PolarHBondContact O-N 3Å; L261-G283 WeakPolarHBondContact O-CA 3.39Å; L261-F284 HydrophobicContact CD2-CD1 4.12Å
262	T	91.8	Very high	91.9	Very high	108 Å²	108	48.6 Å²	48.6	66%	0.663	27%	0.27	S	S	*	.	H	α-helix	trans	-110.8	-16.4	-170.6	68.4	0	0	0	0	115	S258	S258-T262 VanDerWaalsContact O-CB 3.32Å; S258-T262 WeakPolarHBondContact O-CB 3.35Å; S258-T262 VanDerWaalsContact O-CG2 3.3Å; S258-T262 WeakPolarHBondContact O-CG2 3.13Å; S258-T262 PolarHBondContact O-N 3.12Å; S258-T262 PolarHBondContact O-OG1 3.37Å
263	K	87.9	Confident	91.7	Very high	90 Å²	90	52.5 Å²	52.5	39%	0.391	29%	0.29	S	S	.	.			trans	-85.7	138.8	178.2	-65.8	-56	-171.1	173.8	0	111.6	H259 Y268 T282	H259-K263 WeakPolarHBondContact CD2-CG 3.11Å; H259-K263 WeakPolarHBondContact O-CB 3.4Å; H259-K263 WeakPolarHBondContact O-CG 3.39Å; H259-K263 PolarHBondContact O-N 3.15Å; K263-Y268 HydrophobicContact CB-CE2 4.13Å; K263-T282 WeakPolarHBondContact O-CB 3.08Å; K263-T282 WeakPolarHBondContact O-CG2 3.25Å
264	D	84.5	Confident	91.5	Very high	94 Å²	94	58 Å²	58	50%	0.503	31%	0.314	S	S	.	.			trans	-75.8	174.7	162.1	68.3	17.5	0	0	0	110.7	N266 G267 Y268	D264-N266 PolarHBondContact O-N 2.98Å; D264-N266 VanDerWaalsContact O-N 3.12Å; D264-N266 WeakPolarHBondContact OD1-CA 3.35Å; D264-N266 WeakPolarHBondContact OD1-CB 3.46Å; D264-N266 PolarHBondContact OD1-N 2.88Å; D264-G267 PolarHBondContact O-N 3.36Å; D264-G267 PolarHBondContact OD1-N 2.58Å; D264-Y268 WeakPolarHBondContact O-CD2 3.4Å
265	A	77.4	Confident	91.5	Very high	57 Å²	57	61 Å²	61	47%	0.471	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-58.3	-26.7	-179.3	0	0	0	0	0	113.5	I273	A265-I273 WeakPolarHBondContact O-CD1 3.37Å
266	N	81.3	Confident	91.4	Very high	144 Å²	144	60.9 Å²	60.9	77%	0.77	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-83.7	-17	179	-61.7	-42.7	0	0	0	112.6	D264 Y268	D264-N266 PolarHBondContact O-N 2.98Å; D264-N266 VanDerWaalsContact O-N 3.12Å; D264-N266 WeakPolarHBondContact OD1-CA 3.35Å; D264-N266 WeakPolarHBondContact OD1-CB 3.46Å; D264-N266 PolarHBondContact OD1-N 2.88Å; N266-Y268 VanDerWaalsContact C-N 3.26Å; N266-Y268 PolarHBondContact O-N 3.12Å
267	G	88.4	Confident	91.4	Very high	29 Å²	29	65.7 Å²	65.7	30%	0.299	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-74.4	-14.4	178.3	0	0	0	0	0	114.2	D264	D264-G267 PolarHBondContact O-N 3.36Å; D264-G267 PolarHBondContact OD1-N 2.58Å
268	Y	91.7	Very high	91.5	Very high	9 Å²	9	66.4 Å²	66.4	4%	0.035	34%	0.343	C	S	.	.	S	Bend	trans	-86	147.4	179.2	-69.5	-75.5	0	0	0	112.8	F255 H259 M260 K263 D264 N266 Y272 I280 T282	F255-Y268 HydrophobicContact CD2-CD1 4.12Å; F255-Y268 AromaticContact CD2-CE1 3.94Å; F255-Y268 HydrophobicContact CD2-CE1 3.94Å; F255-Y268 AromaticContact CE2-CD1 3.8Å; F255-Y268 HydrophobicContact CE2-CD1 3.8Å; F255-Y268 HydrophobicContact CE2-CE1 4.08Å; F255-Y268 HydrophobicContact CZ-CD1 4.44Å; H259-Y268 AromaticContact CD2-CD1 3.97Å; H259-Y268 AromaticContact CD2-CE1 3.61Å; H259-Y268 AromaticContact NE2-CD1 3.78Å; H259-Y268 AromaticContact NE2-CE1 3.93Å; M260-Y268 WeakPolarHBondContact CA-OH 3.44Å; M260-Y268 PolarHBondContact O-OH 3.24Å; M260-Y268 HydrophobicContact SD-CE1 4.35Å; K263-Y268 HydrophobicContact CB-CE2 4.13Å; D264-Y268 WeakPolarHBondContact O-CD2 3.4Å; N266-Y268 VanDerWaalsContact C-N 3.26Å; N266-Y268 PolarHBondContact O-N 3.12Å; Y268-Y272 AromaticContact CD1-CD1 3.49Å; Y268-Y272 HydrophobicContact CD1-CD1 3.49Å; Y268-Y272 VanDerWaalsContact CD1-CD1 3.49Å; Y268-Y272 AromaticContact CD1-CE1 3.57Å; Y268-Y272 HydrophobicContact CD1-CE1 3.57Å; Y268-Y272 HydrophobicContact CD1-CG 4.41Å; Y268-Y272 HydrophobicContact CD2-CD1 4.34Å; Y268-Y272 HydrophobicContact CD2-CE1 4.3Å; Y268-Y272 HydrophobicContact CE1-CD1 4.18Å; Y268-Y272 AromaticContact CE1-CE1 3.76Å; Y268-Y272 HydrophobicContact CE1-CE1 3.76Å; Y268-Y272 HydrophobicContact CE2-CE1 4.48Å; Y268-Y272 AromaticContact CG-CD1 3.58Å; Y268-Y272 HydrophobicContact CG-CD1 3.58Å; Y268-Y272 AromaticContact CG-CE1 3.85Å; Y268-Y272 HydrophobicContact CG-CE1 3.85Å; Y268-I280 HydrophobicContact CD2-CG2 4.37Å; Y268-I280 HydrophobicContact CE2-CG2 4.16Å; Y268-T282 HydrophobicContact CE2-CG2 3.88Å
269	P	92.8	Very high	91.3	Very high	46 Å²	46	71.1 Å²	71.1	30%	0.299	35%	0.352	S	S	.	.			trans	-56.8	142.9	170.6	-23.8	33.8	0	0	0	112.4	F255 W271 Y272 I273	F255-P269 HydrophobicContact CZ-CG 4.29Å; P269-W271 VanDerWaalsContact CB-CD1 3.45Å; P269-W271 HydrophobicContact CB-CD2 4.48Å; P269-W271 HydrophobicContact CB-CG 4.22Å; P269-W271 HydrophobicContact CG-CZ2 4.46Å; P269-W271 PolarHBondContact O-N 3.4Å; P269-W271 VanDerWaalsContact O-N 3.12Å; P269-Y272 WeakPolarHBondContact O-CB 3.36Å; P269-Y272 PolarHBondContact O-N 2.94Å; P269-I273 PolarHBondContact O-N 3.22Å
270	E	93.5	Very high	91.2	Very high	129 Å²	129	71 Å²	71	60%	0.603	35%	0.352	S	S	*	.	H	α-helix	trans	-54.3	-37.1	-178.3	-173	-174.5	-169.4	0	0	113	Y272 I273 K274	E270-Y272 VanDerWaalsContact C-N 3.28Å; E270-Y272 PolarHBondContact O-N 2.86Å; E270-I273 PolarHBondContact O-N 3.22Å; E270-K274 VanDerWaalsContact CD-NZ 3.33Å; E270-K274 HydrophobicContact CG-CD 4.12Å; E270-K274 HydrophobicContact CG-CG 4.47Å; E270-K274 WeakPolarHBondContact O-CB 3.5Å; E270-K274 WeakPolarHBondContact O-CG 3.26Å; E270-K274 PolarHBondContact O-N 3.34Å; E270-K274 WeakPolarHBondContact OE1-CE 3.36Å; E270-K274 IonicContact OE1-NZ 2.94Å; E270-K274 PolarHBondContact OE1-NZ 3.2Å
271	W	93.5	Very high	91	Very high	96 Å²	96	73.1 Å²	73.1	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-38.2	176.9	68	-101.4	0	0	0	111.5	F181 F255 P269 K274 Y275	F181-W271 AromaticContact CE2-CZ3 3.87Å; F181-W271 HydrophobicContact CE2-CZ3 3.87Å; F181-W271 AromaticContact CZ-CZ3 3.8Å; F181-W271 HydrophobicContact CZ-CZ3 3.8Å; F255-W271 HydrophobicContact CE1-CH2 4.35Å; F255-W271 HydrophobicContact CE1-CZ2 4.06Å; F255-W271 HydrophobicContact CE2-CH2 4.35Å; F255-W271 AromaticContact CZ-CH2 3.69Å; F255-W271 HydrophobicContact CZ-CH2 3.69Å; F255-W271 AromaticContact CZ-CZ2 3.61Å; F255-W271 HydrophobicContact CZ-CZ2 3.61Å; P269-W271 VanDerWaalsContact CB-CD1 3.45Å; P269-W271 HydrophobicContact CB-CD2 4.48Å; P269-W271 HydrophobicContact CB-CG 4.22Å; P269-W271 HydrophobicContact CG-CZ2 4.46Å; P269-W271 PolarHBondContact O-N 3.4Å; P269-W271 VanDerWaalsContact O-N 3.12Å; W271-K274 PolarHBondContact O-N 3.02Å; W271-Y275 HydrophobicContact CB-CD1 4.45Å; W271-Y275 HydrophobicContact CB-CE1 4.24Å; W271-Y275 HydrophobicContact CB-CE2 4.49Å; W271-Y275 AromaticContact CE3-CD2 4Å; W271-Y275 HydrophobicContact CE3-CD2 4Å; W271-Y275 HydrophobicContact CE3-CE2 4.48Å; W271-Y275 HydrophobicContact CE3-CG 4.38Å; W271-Y275 WeakPolarHBondContact O-CB 3.38Å; W271-Y275 WeakPolarHBondContact O-CD1 3.35Å; W271-Y275 PolarHBondContact O-N 3.47Å
272	Y	93.9	Very high	90.6	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.7	-46.4	-179.3	179	-112.4	0	0	0	110.2	R179 F181 P254 F255 Y268 P269 E270 K274 Y275 N276 I280	R179-Y272 PolarHBondContact NH2-OH 2.89Å; F181-Y272 HydrophobicContact CE1-CD2 4.21Å; F181-Y272 HydrophobicContact CE1-CE2 4.26Å; F181-Y272 HydrophobicContact CZ-CD2 4.11Å; F181-Y272 HydrophobicContact CZ-CE2 4.38Å; P254-Y272 HydrophobicContact CG-CD2 4.07Å; P254-Y272 HydrophobicContact CG-CE2 3.51Å; F255-Y272 HydrophobicContact CD2-CE2 4.29Å; F255-Y272 AromaticContact CE2-CD1 3.9Å; F255-Y272 HydrophobicContact CE2-CD1 3.9Å; F255-Y272 AromaticContact CE2-CD2 3.56Å; F255-Y272 HydrophobicContact CE2-CD2 3.56Å; F255-Y272 HydrophobicContact CE2-CE1 4.07Å; F255-Y272 AromaticContact CE2-CE2 3.76Å; F255-Y272 HydrophobicContact CE2-CE2 3.76Å; F255-Y272 AromaticContact CE2-CG 3.62Å; F255-Y272 HydrophobicContact CE2-CG 3.62Å; F255-Y272 AromaticContact CE2-CZ 3.99Å; F255-Y272 HydrophobicContact CZ-CD2 4.24Å; F255-Y272 HydrophobicContact CZ-CG 4.16Å; Y268-Y272 AromaticContact CD1-CD1 3.49Å; Y268-Y272 HydrophobicContact CD1-CD1 3.49Å; Y268-Y272 VanDerWaalsContact CD1-CD1 3.49Å; Y268-Y272 AromaticContact CD1-CE1 3.57Å; Y268-Y272 HydrophobicContact CD1-CE1 3.57Å; Y268-Y272 HydrophobicContact CD1-CG 4.41Å; Y268-Y272 HydrophobicContact CD2-CD1 4.34Å; Y268-Y272 HydrophobicContact CD2-CE1 4.3Å; Y268-Y272 HydrophobicContact CE1-CD1 4.18Å; Y268-Y272 AromaticContact CE1-CE1 3.76Å; Y268-Y272 HydrophobicContact CE1-CE1 3.76Å; Y268-Y272 HydrophobicContact CE2-CE1 4.48Å; Y268-Y272 AromaticContact CG-CD1 3.58Å; Y268-Y272 HydrophobicContact CG-CD1 3.58Å; Y268-Y272 AromaticContact CG-CE1 3.85Å; Y268-Y272 HydrophobicContact CG-CE1 3.85Å; P269-Y272 WeakPolarHBondContact O-CB 3.36Å; P269-Y272 PolarHBondContact O-N 2.94Å; E270-Y272 VanDerWaalsContact C-N 3.28Å; E270-Y272 PolarHBondContact O-N 2.86Å; Y272-K274 VanDerWaalsContact C-N 3.28Å; Y272-K274 PolarHBondContact O-N 3.24Å; Y272-Y275 PolarHBondContact O-N 2.99Å; Y272-N276 WeakPolarHBondContact CD2-ND2 3.29Å; Y272-N276 WeakPolarHBondContact CE2-ND2 3.37Å; Y272-N276 VanDerWaalsContact CZ-ND2 3.31Å; Y272-N276 PolarHBondContact O-N 3.03Å; Y272-N276 PolarHBondContact O-ND2 2.93Å; Y272-I280 HydrophobicContact CD1-CD1 3.81Å; Y272-I280 HydrophobicContact CE1-CD1 3.78Å; Y272-I280 HydrophobicContact CE1-CG1 4.07Å; Y272-I280 HydrophobicContact CE1-CG2 3.88Å
273	I	93	Very high	90.5	Very high	81 Å²	81	68.4 Å²	68.4	42%	0.415	34%	0.342	S	S	.	.	H	α-helix	trans	-56.9	-45.5	175.7	-57.9	171.2	0	0	0	110.5	A265 P269 E270 I280	A265-I273 WeakPolarHBondContact O-CD1 3.37Å; P269-I273 PolarHBondContact O-N 3.22Å; E270-I273 PolarHBondContact O-N 3.22Å; I273-I280 HydrophobicContact CB-CD1 4.43Å; I273-I280 HydrophobicContact CG1-CD1 4.38Å
274	K	93.8	Very high	90.6	Very high	117 Å²	117	72.5 Å²	72.5	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-73.9	-27.4	-179.3	-73	-177.7	-177.7	173.9	0	114.1	K182 E270 W271 Y272	K182-K274 WeakPolarHBondContact CE-O 3.14Å; K182-K274 PolarHBondContact NZ-O 2.94Å; E270-K274 VanDerWaalsContact CD-NZ 3.33Å; E270-K274 HydrophobicContact CG-CD 4.12Å; E270-K274 HydrophobicContact CG-CG 4.47Å; E270-K274 WeakPolarHBondContact O-CB 3.5Å; E270-K274 WeakPolarHBondContact O-CG 3.26Å; E270-K274 PolarHBondContact O-N 3.34Å; E270-K274 WeakPolarHBondContact OE1-CE 3.36Å; E270-K274 IonicContact OE1-NZ 2.94Å; E270-K274 PolarHBondContact OE1-NZ 3.2Å; W271-K274 PolarHBondContact O-N 3.02Å; Y272-K274 VanDerWaalsContact C-N 3.28Å; Y272-K274 PolarHBondContact O-N 3.24Å
275	Y	96.4	Very high	90.9	Very high	66 Å²	66	73.5 Å²	73.5	26%	0.259	37%	0.366	S	S	.	.	H	α-helix	trans	-90.9	-27.6	-169.3	-75.4	19.8	0	0	0	112.4	F181 K182 P183 F184 Y189 W271 Y272 Y277	F181-Y275 CarbonylContact C-O 3.58Å; F181-Y275 WeakPolarHBondContact CA-O 3.27Å; F181-Y275 HydrophobicContact CD2-CD2 4.17Å; K182-Y275 WeakPolarHBondContact CG-O 3.35Å; K182-Y275 PolarHBondContact N-O 3.03Å; P183-Y275 HydrophobicContact CB-CE1 4.5Å; P183-Y275 HydrophobicContact CG-CD1 3.52Å; P183-Y275 HydrophobicContact CG-CD2 3.9Å; P183-Y275 HydrophobicContact CG-CE1 3.79Å; P183-Y275 HydrophobicContact CG-CE2 4.16Å; P183-Y275 HydrophobicContact CG-CG 3.57Å; F184-Y275 HydrophobicContact CE2-CE1 4.44Å; F184-Y275 AromaticContact CE2-CE2 3.91Å; F184-Y275 HydrophobicContact CE2-CE2 3.91Å; F184-Y275 AromaticContact CE2-CZ 3.74Å; F184-Y275 AromaticContact CZ-CZ 3.94Å; F184-Y275 WeakPolarHBondContact CZ-OH 3.44Å; Y189-Y275 WeakPolarHBondContact OH-CD2 3.24Å; W271-Y275 HydrophobicContact CB-CD1 4.45Å; W271-Y275 HydrophobicContact CB-CE1 4.24Å; W271-Y275 HydrophobicContact CB-CE2 4.49Å; W271-Y275 AromaticContact CE3-CD2 4Å; W271-Y275 HydrophobicContact CE3-CD2 4Å; W271-Y275 HydrophobicContact CE3-CE2 4.48Å; W271-Y275 HydrophobicContact CE3-CG 4.38Å; W271-Y275 WeakPolarHBondContact O-CB 3.38Å; W271-Y275 WeakPolarHBondContact O-CD1 3.35Å; W271-Y275 PolarHBondContact O-N 3.47Å; Y272-Y275 PolarHBondContact O-N 2.99Å; Y275-Y277 PolarHBondContact O-N 2.92Å
276	N	95	Very high	91.5	Very high	5 Å²	5	71 Å²	71	3%	0.027	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-57.3	133.4	-179.1	-85.9	-73.2	0	0	0	112.5	R179 K182 Y272 H278 I280	R179-N276 PolarHBondContact NE-OD1 3.46Å; R179-N276 PolarHBondContact NH2-OD1 2.83Å; K182-N276 WeakPolarHBondContact CE-O 3.45Å; K182-N276 PolarHBondContact NZ-O 3.23Å; Y272-N276 WeakPolarHBondContact CD2-ND2 3.29Å; Y272-N276 WeakPolarHBondContact CE2-ND2 3.37Å; Y272-N276 VanDerWaalsContact CZ-ND2 3.31Å; Y272-N276 PolarHBondContact O-N 3.03Å; Y272-N276 PolarHBondContact O-ND2 2.93Å; N276-H278 WeakPolarHBondContact CB-O 3.3Å; N276-I280 HydrophobicContact CB-CD1 4.07Å; N276-I280 HydrophobicContact CB-CG1 3.93Å; N276-I280 WeakPolarHBondContact ND2-CD1 3.49Å
277	Y	96.7	Very high	92.1	Very high	116 Å²	116	64.5 Å²	64.5	46%	0.455	31%	0.311	S	S	.	.	S	Bend	trans	-80.2	-45.6	172.5	-170.4	-84.4	0	0	0	110.6	R180 K182 Y275	R180-Y277 HydrophobicContact CG-CD2 4.29Å; R180-Y277 HydrophobicContact CG-CG 3.96Å; R180-Y277 VanDerWaalsContact O-CB 3.28Å; R180-Y277 WeakPolarHBondContact O-CB 3.47Å; R180-Y277 PolarHBondContact O-N 3.34Å; R180-Y277 VanDerWaalsContact O-N 3.09Å; K182-Y277 HydrophobicContact CB-CD2 3.93Å; Y275-Y277 PolarHBondContact O-N 2.92Å
278	H	94.9	Very high	92.4	Very high	36 Å²	36	63.5 Å²	63.5	17%	0.167	30%	0.299	C	S	.	.	S	Bend	trans	-90.6	169.4	176.3	-58.2	-58.6	0	0	0	111.6	D242 E250 N276	D242-H278 IonicContact OD1-CE1 3.24Å; D242-H278 IonicContact OD1-NE2 3.68Å; D242-H278 PolarHBondContact OD1-NE2 3.08Å; D242-H278 IonicContact OD2-CE1 3.24Å; D242-H278 IonicContact OD2-NE2 3.89Å; E250-H278 IonicContact OE1-CD2 3.95Å; E250-H278 PolarHBondContact OE1-CD2 3.27Å; E250-H278 IonicContact OE1-CG 2.85Å; N276-H278 WeakPolarHBondContact CB-O 3.3Å
279	R	91.1	Very high	92.5	Very high	157 Å²	157	68.7 Å²	68.7	59%	0.592	33%	0.327	S	S	*	.			trans	-61.4	152.5	176.7	68.7	176.5	178.4	-150.8	-10.4	111	E247 D281	E247-R279 PolarHBondContact O-NH2 2.85Å; R279-D281 WeakPolarHBondContact CD-OD1 3.12Å; R279-D281 WeakPolarHBondContact CD-OD2 3.32Å; R279-D281 WeakPolarHBondContact CG-OD2 3.3Å; R279-D281 IonicContact CZ-OD2 3.3Å; R279-D281 IonicContact NE-OD1 3.7Å; R279-D281 PolarHBondContact NE-OD1 3.44Å; R279-D281 IonicContact NE-OD2 3.22Å; R279-D281 PolarHBondContact NE-OD2 3.31Å; R279-D281 IonicContact NH2-OD2 2.73Å
280	I	90.6	Very high	92.5	Very high	42 Å²	42	69.9 Å²	69.9	22%	0.215	33%	0.326	C	S	.	.			trans	-100.8	109.9	172.4	-61.4	167.7	0	0	0	106.9	Y268 Y272 I273 N276	Y268-I280 HydrophobicContact CD2-CG2 4.37Å; Y268-I280 HydrophobicContact CE2-CG2 4.16Å; Y272-I280 HydrophobicContact CD1-CD1 3.81Å; Y272-I280 HydrophobicContact CE1-CD1 3.78Å; Y272-I280 HydrophobicContact CE1-CG1 4.07Å; Y272-I280 HydrophobicContact CE1-CG2 3.88Å; I273-I280 HydrophobicContact CB-CD1 4.43Å; I273-I280 HydrophobicContact CG1-CD1 4.38Å; N276-I280 HydrophobicContact CB-CD1 4.07Å; N276-I280 HydrophobicContact CB-CG1 3.93Å; N276-I280 WeakPolarHBondContact ND2-CD1 3.49Å
281	D	89.1	Confident	92.7	Very high	45 Å²	45	64 Å²	64	24%	0.241	30%	0.3	C	S	.	.			trans	-93.9	153.6	169.7	-61.1	-45.9	0	0	0	109.2	R279 C286	R279-D281 WeakPolarHBondContact CD-OD1 3.12Å; R279-D281 WeakPolarHBondContact CD-OD2 3.32Å; R279-D281 WeakPolarHBondContact CG-OD2 3.3Å; R279-D281 IonicContact CZ-OD2 3.3Å; R279-D281 IonicContact NE-OD1 3.7Å; R279-D281 PolarHBondContact NE-OD1 3.44Å; R279-D281 IonicContact NE-OD2 3.22Å; R279-D281 PolarHBondContact NE-OD2 3.31Å; R279-D281 IonicContact NH2-OD2 2.73Å; D281-C286 WeakPolarHBondContact O-CA 3.47Å; D281-C286 VanDerWaalsContact O-CB 3.22Å; D281-C286 WeakPolarHBondContact O-CB 3.35Å
282	T	86	Confident	92.9	Very high	54 Å²	54	59.4 Å²	59.4	33%	0.331	28%	0.282	S	S	.	.			trans	-130	161.9	-176.1	61	0	0	0	0	111	K263 Y268	K263-T282 WeakPolarHBondContact O-CB 3.08Å; K263-T282 WeakPolarHBondContact O-CG2 3.25Å; Y268-T282 HydrophobicContact CE2-CG2 3.88Å
283	G	89.7	Confident	93.1	Very high	23 Å²	23	59.5 Å²	59.5	24%	0.237	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	77.1	-157.1	-177	0	0	0	0	0	111.6	L261 D285 C286	L261-G283 WeakPolarHBondContact O-CA 3.39Å; G283-D285 PolarHBondContact O-N 2.81Å; G283-C286 VanDerWaalsContact O-CB 3.3Å; G283-C286 WeakPolarHBondContact O-CB 3.09Å; G283-C286 PolarHBondContact O-N 3.12Å; G283-C286 VanDerWaalsContact O-N 3.11Å; G283-C286 PolarHBondContact O-SG 3.37Å
284	F	90.2	Very high	93.4	Very high	176 Å²	176	56.7 Å²	56.7	77%	0.772	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.8	179.2	-70.4	-73	0	0	0	113.8	L261	L261-F284 HydrophobicContact CD2-CD1 4.12Å
285	D	90	Very high	93.6	Very high	115 Å²	115	51.5 Å²	51.5	62%	0.615	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-85.9	-4.8	177.3	-61.8	-36.8	0	0	0	113.5	G283 C287	G283-D285 PolarHBondContact O-N 2.81Å; D285-C287 PolarHBondContact O-N 3.05Å; D285-C287 VanDerWaalsContact O-N 3.13Å
286	C	89.4	Confident	93.7	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.027	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.6	-26.9	-179.2	68.3	0	0	0	0	114.2	M260 D281 G283	M260-C286 HydrophobicContact CE-CB 4.23Å; D281-C286 WeakPolarHBondContact O-CA 3.47Å; D281-C286 VanDerWaalsContact O-CB 3.22Å; D281-C286 WeakPolarHBondContact O-CB 3.35Å; G283-C286 VanDerWaalsContact O-CB 3.3Å; G283-C286 WeakPolarHBondContact O-CB 3.09Å; G283-C286 PolarHBondContact O-N 3.12Å; G283-C286 VanDerWaalsContact O-N 3.11Å; G283-C286 PolarHBondContact O-SG 3.37Å
287	C	94.5	Very high	93.8	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.061	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-143.6	138.2	-151.2	-54.5	0	0	0	0	108.7	R249 H253 D285	R249-C287 PolarHBondContact NH1-O 2.89Å; H253-C287 PolarHBondContact CE1-SG 2.83Å; D285-C287 PolarHBondContact O-N 3.05Å; D285-C287 VanDerWaalsContact O-N 3.13Å
288	S	95.4	Very high	93.9	Very high	7 Å²	7	54.7 Å²	54.7	5%	0.049	26%	0.26	C	S	.	.			trans	-60.4	143.3	175.8	-172.3	0	0	0	0	110.7	D245 E250 Y290 A291	D245-S288 WeakPolarHBondContact CB-OG 3.36Å; D245-S288 VanDerWaalsContact OD2-CA 3.29Å; D245-S288 WeakPolarHBondContact OD2-CA 3.26Å; D245-S288 WeakPolarHBondContact OD2-CB 3.47Å; D245-S288 PolarHBondContact OD2-OG 3.3Å; E250-S288 PolarHBondContact O-N 2.65Å; S288-Y290 PolarHBondContact O-N 3.26Å; S288-Y290 VanDerWaalsContact O-N 3.15Å; S288-Y290 PolarHBondContact OG-N 3.02Å; S288-Y290 VanDerWaalsContact OG-N 3.16Å; S288-A291 WeakPolarHBondContact O-CB 3.41Å; S288-A291 PolarHBondContact O-N 3.48Å
289	D	92.5	Very high	94	Very high	119 Å²	119	54.5 Å²	54.5	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22	168.3	-57.2	-45.3	0	0	0	111.3	R249	R249-D289 IonicContact CZ-OD2 3.26Å; R249-D289 IonicContact NH1-OD1 2.86Å; R249-D289 PolarHBondContact NH1-OD1 2.67Å; R249-D289 IonicContact NH1-OD2 3.82Å; R249-D289 PolarHBondContact NH1-OD2 2.86Å; R249-D289 IonicContact NH2-OD2 3.72Å; R249-D289 PolarHBondContact NH2-OD2 2.6Å
290	Y	93.6	Very high	94.4	Very high	70 Å²	70	52.7 Å²	52.7	28%	0.275	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	41.6	171.3	-58.8	-82.5	0	0	0	111.8	N161 K164 S288 V292 D323	N161-Y290 WeakPolarHBondContact CB-O 3.44Å; N161-Y290 VanDerWaalsContact ND2-C 3.32Å; N161-Y290 WeakPolarHBondContact ND2-CA 3.46Å; K164-Y290 HydrophobicContact CD-CD1 3.42Å; K164-Y290 VanDerWaalsContact CD-CD1 3.42Å; K164-Y290 HydrophobicContact CD-CD2 4.08Å; K164-Y290 HydrophobicContact CD-CE1 3.81Å; K164-Y290 HydrophobicContact CD-CE2 4.41Å; K164-Y290 HydrophobicContact CD-CG 3.55Å; S288-Y290 PolarHBondContact O-N 3.26Å; S288-Y290 VanDerWaalsContact O-N 3.15Å; S288-Y290 PolarHBondContact OG-N 3.02Å; S288-Y290 VanDerWaalsContact OG-N 3.16Å; Y290-V292 PolarHBondContact O-N 2.86Å; Y290-D323 PolarHBondContact OH-OD2 2.92Å
291	A	97.1	Very high	94.7	Very high	6 Å²	6	52.8 Å²	52.8	5%	0.05	26%	0.26	C	S	.	.			trans	-53.8	139.3	174.1	0	0	0	0	0	111.4	I158 N161 S288 F294	I158-A291 WeakPolarHBondContact CD1-O 3.45Å; N161-A291 WeakPolarHBondContact CB-O 3.43Å; N161-A291 PolarHBondContact ND2-O 3.48Å; S288-A291 WeakPolarHBondContact O-CB 3.41Å; S288-A291 PolarHBondContact O-N 3.48Å; A291-F294 HydrophobicContact CB-CE2 3.74Å; A291-F294 HydrophobicContact CB-CZ 3.68Å
292	V	98.5	Very high	95.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.			trans	-92.7	-43.4	-177.1	168	0	0	0	0	111.9	V157 I158 N161 L162 I165 C251 F252 Y290	V157-V292 CarbonylContact C-O 3.57Å; V157-V292 VanDerWaalsContact CA-O 3.31Å; V157-V292 WeakPolarHBondContact CA-O 3.35Å; V157-V292 HydrophobicContact CG1-CG1 4.24Å; I158-V292 PolarHBondContact N-O 3.5Å; N161-V292 HydrophobicContact CB-CG2 4.3Å; L162-V292 HydrophobicContact CB-CG1 3.91Å; L162-V292 HydrophobicContact CB-CG2 4.28Å; L162-V292 HydrophobicContact CD1-CG1 4.06Å; L162-V292 HydrophobicContact CG-CG1 4.44Å; I165-V292 HydrophobicContact CD1-CG2 3.74Å; I165-V292 HydrophobicContact CG1-CG2 4.39Å; C251-V292 HydrophobicContact CB-CB 4.38Å; C251-V292 HydrophobicContact CB-CG2 4.03Å; C251-V292 WeakPolarHBondContact O-CA 3.48Å; C251-V292 WeakPolarHBondContact O-CB 3.24Å; C251-V292 PolarHBondContact O-N 3.43Å; F252-V292 HydrophobicContact CD1-CB 4.47Å; F252-V292 HydrophobicContact CD1-CG1 4.11Å; F252-V292 HydrophobicContact CD2-CB 4.29Å; F252-V292 HydrophobicContact CE1-CB 4.24Å; F252-V292 HydrophobicContact CE1-CG1 3.56Å; F252-V292 HydrophobicContact CE2-CB 4.04Å; F252-V292 HydrophobicContact CE2-CG1 4.13Å; F252-V292 HydrophobicContact CE2-CG2 4.12Å; F252-V292 HydrophobicContact CG-CB 4.49Å; F252-V292 HydrophobicContact CZ-CB 4.03Å; F252-V292 HydrophobicContact CZ-CG1 3.59Å; F252-V292 HydrophobicContact CZ-CG2 4.28Å; Y290-V292 PolarHBondContact O-N 2.86Å
293	S	98.6	Very high	95.7	Very high	1 Å²	1	53 Å²	53	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	148.4	-171.2	58.5	0	0	0	0	113.7	Y156 G194 C251 F252 H253	Y156-S293 WeakPolarHBondContact O-CA 3.47Å; G194-S293 WeakPolarHBondContact O-CB 3.32Å; G194-S293 PolarHBondContact O-OG 2.81Å; C251-S293 PolarHBondContact O-N 3.5Å; F252-S293 WeakPolarHBondContact CD1-OG 3.47Å; H253-S293 WeakPolarHBondContact CB-O 3.37Å; H253-S293 PolarHBondContact CD2-O 3.47Å; H253-S293 VanDerWaalsContact CD2-O 3.3Å; H253-S293 PolarHBondContact N-O 3.15Å
294	F	98.4	Very high	96.1	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.096	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.9	169.9	-61.7	-90.6	0	0	0	110.4	S155 Y156 H253 P257 M260 A291 I297	S155-F294 VanDerWaalsContact CA-O 3.29Å; S155-F294 WeakPolarHBondContact CA-O 3.28Å; Y156-F294 PolarHBondContact N-O 2.96Å; Y156-F294 PolarHBondContact O-N 2.99Å; Y156-F294 VanDerWaalsContact O-N 3.09Å; H253-F294 HydrophobicContact CB-CD1 3.6Å; H253-F294 HydrophobicContact CB-CE1 3.95Å; H253-F294 HydrophobicContact CB-CG 4.33Å; H253-F294 AromaticContact CD2-CD1 3.72Å; H253-F294 AromaticContact CD2-CE1 3.26Å; H253-F294 WeakPolarHBondContact CD2-CE1 3.44Å; H253-F294 AromaticContact CD2-CZ 3.53Å; H253-F294 AromaticContact CG-CD1 3.87Å; H253-F294 AromaticContact CG-CE1 3.68Å; H253-F294 WeakPolarHBondContact O-CA 3.44Å; P257-F294 HydrophobicContact CB-CD1 4.25Å; P257-F294 HydrophobicContact CB-CE1 4.19Å; P257-F294 HydrophobicContact CG-CB 4.14Å; P257-F294 HydrophobicContact CG-CD1 3.62Å; P257-F294 HydrophobicContact CG-CD2 3.95Å; P257-F294 HydrophobicContact CG-CE1 3.93Å; P257-F294 HydrophobicContact CG-CE2 4.25Å; P257-F294 HydrophobicContact CG-CG 3.63Å; P257-F294 HydrophobicContact CG-CZ 4.23Å; M260-F294 HydrophobicContact CG-CD1 4.39Å; M260-F294 HydrophobicContact CG-CE1 4.37Å; A291-F294 HydrophobicContact CB-CE2 3.74Å; A291-F294 HydrophobicContact CB-CZ 3.68Å; F294-I297 HydrophobicContact CB-CD1 4.03Å; F294-I297 HydrophobicContact CB-CG1 4.4Å
295	H	98.3	Very high	96.4	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-118.8	166.5	-175.6	-159.7	-105.6	0	0	0	112.6	D152 D154 S155 G193 H253 F255 S256 I297	D152-H295 IonicContact OD2-CD2 3.9Å; D152-H295 IonicContact OD2-CE1 3.88Å; D152-H295 IonicContact OD2-NE2 3.67Å; D152-H295 PolarHBondContact OD2-NE2 2.8Å; D154-H295 CarbonylContact O-C 3.6Å; D154-H295 IonicContact OD1-CD2 3.48Å; D154-H295 IonicContact OD1-CE1 3.69Å; D154-H295 PolarHBondContact OD1-CE1 3.39Å; D154-H295 IonicContact OD1-NE2 3.75Å; D154-H295 PolarHBondContact OD1-NE2 3Å; S155-H295 PolarHBondContact OG-CD2 2.93Å; G193-H295 VanDerWaalsContact CA-CD2 3.49Å; G193-H295 WeakPolarHBondContact CA-CD2 3.2Å; G193-H295 VanDerWaalsContact O-CB 3.24Å; G193-H295 WeakPolarHBondContact O-CB 3.32Å; G193-H295 PolarHBondContact O-CD2 3.15Å; H253-H295 PolarHBondContact O-N 2.98Å; F255-H295 CarbonylContact C-O 3.14Å; F255-H295 PolarHBondContact O-N 2.89Å; S256-H295 VanDerWaalsContact CA-O 3.27Å; S256-H295 WeakPolarHBondContact CA-O 3.23Å; S256-H295 PolarHBondContact N-O 2.77Å; H295-I297 VanDerWaalsContact C-N 3.3Å; H295-I297 WeakPolarHBondContact O-CD1 3.33Å; H295-I297 PolarHBondContact O-N 2.95Å
296	Y	97.6	Very high	96.7	Very high	130 Å²	130	45.3 Å²	45.3	51%	0.51	21%	0.21	S	C	.	.	S	Bend	trans	59.9	34.3	-175.1	-53.9	-59.1	0	0	0	114.3	D154 P254 F255	D154-Y296 PolarHBondContact O-N 2.95Å; P254-Y296 WeakPolarHBondContact O-CE2 3.46Å; F255-Y296 HydrophobicContact CD1-CD2 4.11Å; F255-Y296 AromaticContact CD1-CE2 3.89Å; F255-Y296 HydrophobicContact CD1-CE2 3.89Å; F255-Y296 HydrophobicContact CE1-CE2 4.26Å
297	I	98.2	Very high	96.9	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	23%	0.231	C	C	.	.			trans	-83.3	120.9	179.6	-50.7	-47.2	0	0	0	109.3	D154 F294 H295 E301 M302 Y305	D154-I297 PolarHBondContact O-N 3.42Å; F294-I297 HydrophobicContact CB-CD1 4.03Å; F294-I297 HydrophobicContact CB-CG1 4.4Å; H295-I297 VanDerWaalsContact C-N 3.3Å; H295-I297 WeakPolarHBondContact O-CD1 3.33Å; H295-I297 PolarHBondContact O-N 2.95Å; I297-E301 HydrophobicContact CG2-CB 3.64Å; I297-M302 HydrophobicContact CB-CG 4.49Å; I297-M302 HydrophobicContact CG2-CG 3.72Å; I297-Y305 HydrophobicContact CD1-CE2 3.58Å; I297-Y305 HydrophobicContact CG1-CE2 4.02Å; I297-Y305 HydrophobicContact CG2-CD2 4.14Å; I297-Y305 HydrophobicContact CG2-CE2 3.81Å
298	K	98.1	Very high	96.8	Very high	121 Å²	121	55 Å²	55	53%	0.526	25%	0.251	S	S	.	.			trans	-73.6	156.9	176	-61.5	-179.5	-174.1	174.6	0	111.4	E300 E301 M302	K298-E300 VanDerWaalsContact C-N 3.31Å; K298-E300 HydrophobicContact CB-CG 4.35Å; K298-E300 WeakPolarHBondContact CD-OE1 3.43Å; K298-E300 PolarHBondContact O-N 3.45Å; K298-E301 HydrophobicContact CB-CB 4.47Å; K298-E301 HydrophobicContact CB-CG 4.23Å; K298-E301 WeakPolarHBondContact CB-OE2 3.4Å; K298-E301 WeakPolarHBondContact CG-OE2 3.45Å; K298-E301 PolarHBondContact N-OE2 3.31Å; K298-E301 WeakPolarHBondContact O-CA 3.23Å; K298-E301 WeakPolarHBondContact O-CB 3.48Å; K298-E301 PolarHBondContact O-N 3.3Å; K298-M302 PolarHBondContact O-N 3.31Å
299	P	98	Very high	96.6	Very high	33 Å²	33	57.7 Å²	57.7	21%	0.214	26%	0.264	C	S	.	.	H	α-helix	trans	-46.4	-49.6	174.8	-34.3	40.3	0	0	0	114.6	S85 H89 E301 M302 Y303	S85-P299 VanDerWaalsContact O-CG 3.25Å; S85-P299 WeakPolarHBondContact O-CG 3.19Å; H89-P299 HydrophobicContact CB-CB 4.35Å; H89-P299 VanDerWaalsContact CD2-CB 3.45Å; H89-P299 WeakPolarHBondContact CD2-CB 3.42Å; P299-E301 VanDerWaalsContact C-N 3.29Å; P299-E301 PolarHBondContact O-N 3.42Å; P299-M302 WeakPolarHBondContact O-CB 3.44Å; P299-M302 PolarHBondContact O-N 2.97Å; P299-Y303 WeakPolarHBondContact O-CD2 3.32Å; P299-Y303 PolarHBondContact O-N 2.87Å
300	E	97.9	Very high	96.4	Very high	118 Å²	118	54.7 Å²	54.7	55%	0.551	24%	0.244	S	C	*	.	H	α-helix	trans	-63.1	-34.4	178.4	61.9	-85.8	-158.7	0	0	112.8	K298 L304	K298-E300 VanDerWaalsContact C-N 3.31Å; K298-E300 HydrophobicContact CB-CG 4.35Å; K298-E300 WeakPolarHBondContact CD-OE1 3.43Å; K298-E300 PolarHBondContact O-N 3.45Å; E300-L304 PolarHBondContact O-N 2.74Å
301	E	97.9	Very high	96.1	Very high	44 Å²	44	56.8 Å²	56.8	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-71.7	-32.9	175.9	-66.4	177.2	125.4	0	0	111.5	I297 K298 P299 Y303 L304 Y305	I297-E301 HydrophobicContact CG2-CB 3.64Å; K298-E301 HydrophobicContact CB-CB 4.47Å; K298-E301 HydrophobicContact CB-CG 4.23Å; K298-E301 WeakPolarHBondContact CB-OE2 3.4Å; K298-E301 WeakPolarHBondContact CG-OE2 3.45Å; K298-E301 PolarHBondContact N-OE2 3.31Å; K298-E301 WeakPolarHBondContact O-CA 3.23Å; K298-E301 WeakPolarHBondContact O-CB 3.48Å; K298-E301 PolarHBondContact O-N 3.3Å; P299-E301 VanDerWaalsContact C-N 3.29Å; P299-E301 PolarHBondContact O-N 3.42Å; E301-Y303 VanDerWaalsContact C-N 3.33Å; E301-Y303 PolarHBondContact O-N 3.12Å; E301-L304 WeakPolarHBondContact O-CB 3.44Å; E301-L304 PolarHBondContact O-N 3.26Å; E301-Y305 HydrophobicContact CB-CE1 4.19Å; E301-Y305 WeakPolarHBondContact O-CB 3.44Å; E301-Y305 WeakPolarHBondContact O-CD1 3.44Å; E301-Y305 PolarHBondContact O-N 3.45Å
302	M	98.2	Very high	95.7	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-44	174.9	-62.8	-178.1	179.9	0	0	111.4	H89 V90 T93 D153 Y156 I297 K298 P299 Y305 E306	H89-M302 HydrophobicContact CB-SD 3.71Å; V90-M302 HydrophobicContact CG2-CE 3.6Å; V90-M302 HydrophobicContact CG2-SD 3.84Å; T93-M302 HydrophobicContact CG2-CB 4.13Å; D153-M302 WeakPolarHBondContact O-CE 3.3Å; Y156-M302 HydrophobicContact CD2-CB 4.17Å; Y156-M302 HydrophobicContact CD2-CG 4.3Å; Y156-M302 HydrophobicContact CE2-CB 4.45Å; Y156-M302 WeakPolarHBondContact CE2-O 3.42Å; I297-M302 HydrophobicContact CB-CG 4.49Å; I297-M302 HydrophobicContact CG2-CG 3.72Å; K298-M302 PolarHBondContact O-N 3.31Å; P299-M302 WeakPolarHBondContact O-CB 3.44Å; P299-M302 PolarHBondContact O-N 2.97Å; M302-Y305 PolarHBondContact O-N 2.91Å; M302-E306 WeakPolarHBondContact O-CB 3.19Å; M302-E306 PolarHBondContact O-N 2.97Å
303	Y	98.3	Very high	95	Very high	104 Å²	104	64.9 Å²	64.9	41%	0.408	30%	0.295	S	S	.	.	H	α-helix	trans	-70.6	-36.2	175.9	-64.2	-76.4	0	0	0	112.4	H89 A92 T93 P299 E301 Y305 E306 Y307	H89-Y303 HydrophobicContact CB-CE2 4.25Å; H89-Y303 AromaticContact ND1-CE2 3.32Å; H89-Y303 VanDerWaalsContact ND1-CE2 3.32Å; H89-Y303 WeakPolarHBondContact ND1-CE2 3.26Å; H89-Y303 AromaticContact ND1-CZ 3.53Å; H89-Y303 PolarHBondContact ND1-OH 3.43Å; A92-Y303 HydrophobicContact CB-CE1 4.22Å; T93-Y303 HydrophobicContact CG2-CD1 3.93Å; T93-Y303 HydrophobicContact CG2-CE1 4.04Å; T93-Y303 HydrophobicContact CG2-CG 4.46Å; P299-Y303 WeakPolarHBondContact O-CD2 3.32Å; P299-Y303 PolarHBondContact O-N 2.87Å; E301-Y303 VanDerWaalsContact C-N 3.33Å; E301-Y303 PolarHBondContact O-N 3.12Å; Y303-Y305 VanDerWaalsContact C-N 3.32Å; Y303-E306 WeakPolarHBondContact O-CB 3.48Å; Y303-E306 PolarHBondContact O-N 3.49Å; Y303-Y307 WeakPolarHBondContact O-CB 3.19Å; Y303-Y307 PolarHBondContact O-N 2.76Å
304	L	97.7	Very high	94.4	Very high	92 Å²	92	68.2 Å²	68.2	48%	0.482	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-45	172.6	179	61	0	0	0	110.5	E300 E301 Y307 M308	E300-L304 PolarHBondContact O-N 2.74Å; E301-L304 WeakPolarHBondContact O-CB 3.44Å; E301-L304 PolarHBondContact O-N 3.26Å; L304-Y307 PolarHBondContact O-N 3.36Å; L304-M308 HydrophobicContact CD1-CG 3.94Å; L304-M308 HydrophobicContact CD1-SD 4.42Å; L304-M308 HydrophobicContact CG-CG 4.27Å; L304-M308 WeakPolarHBondContact O-CB 3.45Å; L304-M308 WeakPolarHBondContact O-CG 3.27Å; L304-M308 PolarHBondContact O-N 3.17Å
305	Y	96.9	Very high	93.7	Very high	32 Å²	32	78.6 Å²	78.6	13%	0.125	36%	0.357	C	S	.	.	H	α-helix	trans	-68.5	-41	-179.4	-65.6	3	0	0	0	110.8	Y156 P257 I297 E301 M302 Y303 Y307 M308 L309	Y156-Y305 HydrophobicContact CD1-CD2 4.29Å; Y156-Y305 HydrophobicContact CD2-CD2 4.19Å; Y156-Y305 AromaticContact CG-CD2 3.9Å; Y156-Y305 HydrophobicContact CG-CD2 3.9Å; P257-Y305 VanDerWaalsContact CD-OH 3.24Å; P257-Y305 WeakPolarHBondContact CD-OH 3.19Å; P257-Y305 HydrophobicContact CG-CE2 3.74Å; I297-Y305 HydrophobicContact CD1-CE2 3.58Å; I297-Y305 HydrophobicContact CG1-CE2 4.02Å; I297-Y305 HydrophobicContact CG2-CD2 4.14Å; I297-Y305 HydrophobicContact CG2-CE2 3.81Å; E301-Y305 HydrophobicContact CB-CE1 4.19Å; E301-Y305 WeakPolarHBondContact O-CB 3.44Å; E301-Y305 WeakPolarHBondContact O-CD1 3.44Å; E301-Y305 PolarHBondContact O-N 3.45Å; M302-Y305 PolarHBondContact O-N 2.91Å; Y303-Y305 VanDerWaalsContact C-N 3.32Å; Y305-Y307 VanDerWaalsContact C-N 3.29Å; Y305-Y307 PolarHBondContact O-N 3.49Å; Y305-M308 PolarHBondContact O-N 2.97Å; Y305-L309 WeakPolarHBondContact O-CB 3.3Å; Y305-L309 VanDerWaalsContact O-CG 3.23Å; Y305-L309 WeakPolarHBondContact O-CG 3.46Å; Y305-L309 PolarHBondContact O-N 3.02Å
306	E	94.6	Very high	92.9	Very high	27 Å²	27	81 Å²	81	13%	0.126	38%	0.383	C	S	.	.	H	α-helix	trans	-52.3	-50.2	171.1	-171.4	70.1	-162.4	0	0	110.8	T93 R97 Y156 M302 Y303 Y310 H311	T93-E306 HydrophobicContact CG2-CB 4.18Å; T93-E306 HydrophobicContact CG2-CG 4.45Å; R97-E306 IonicContact CZ-OE1 2.87Å; R97-E306 IonicContact CZ-OE2 3.42Å; R97-E306 VanDerWaalsContact NH1-CD 3.31Å; R97-E306 IonicContact NH1-OE1 3.24Å; R97-E306 PolarHBondContact NH1-OE1 2.85Å; R97-E306 IonicContact NH1-OE2 3.94Å; R97-E306 PolarHBondContact NH1-OE2 2.78Å; R97-E306 IonicContact NH2-OE1 3.52Å; R97-E306 PolarHBondContact NH2-OE1 3.32Å; R97-E306 IonicContact NH2-OE2 3.49Å; Y156-E306 WeakPolarHBondContact OH-CA 3.39Å; Y156-E306 PolarHBondContact OH-OE2 3.37Å; M302-E306 WeakPolarHBondContact O-CB 3.19Å; M302-E306 PolarHBondContact O-N 2.97Å; Y303-E306 WeakPolarHBondContact O-CB 3.48Å; Y303-E306 PolarHBondContact O-N 3.49Å; E306-Y310 WeakPolarHBondContact O-CB 3.09Å; E306-Y310 WeakPolarHBondContact O-CD2 3.32Å; E306-Y310 PolarHBondContact O-N 2.97Å; E306-H311 PolarHBondContact O-CD2 3.31Å
307	Y	94	Very high	92	Very high	122 Å²	122	80.1 Å²	80.1	48%	0.478	39%	0.387	S	S	.	.	H	α-helix	trans	-62.2	-50.9	178.4	-175.6	-104.4	0	0	0	112.4	Y303 L304 Y305 L309 H311 L312	Y303-Y307 WeakPolarHBondContact O-CB 3.19Å; Y303-Y307 PolarHBondContact O-N 2.76Å; L304-Y307 PolarHBondContact O-N 3.36Å; Y305-Y307 VanDerWaalsContact C-N 3.29Å; Y305-Y307 PolarHBondContact O-N 3.49Å; Y307-L309 VanDerWaalsContact C-N 3.35Å; Y307-L309 PolarHBondContact O-N 2.91Å; Y307-H311 HydrophobicContact CD2-CB 3.62Å; Y307-H311 HydrophobicContact CE2-CB 3.93Å; Y307-H311 HydrophobicContact CG-CB 4.38Å; Y307-H311 CarbonylContact O-C 3.58Å; Y307-H311 WeakPolarHBondContact O-CA 3.37Å; Y307-H311 WeakPolarHBondContact O-CB 3.42Å; Y307-H311 PolarHBondContact O-N 3.46Å; Y307-L312 HydrophobicContact CD1-CB 4.11Å; Y307-L312 HydrophobicContact CE1-CB 3.76Å; Y307-L312 HydrophobicContact CE1-CD1 4.06Å; Y307-L312 HydrophobicContact CE1-CD2 4.28Å; Y307-L312 HydrophobicContact CE1-CG 4.25Å; Y307-L312 PolarHBondContact O-N 3.2Å
308	M	93.4	Very high	90.6	Very high	95 Å²	95	88 Å²	88	47%	0.468	42%	0.423	S	S	.	.	H	α-helix	trans	-66.5	-36.1	-176.3	-63.5	-63.9	-88.4	0	0	112.4	L304 Y305 L312 R319	L304-M308 HydrophobicContact CD1-CG 3.94Å; L304-M308 HydrophobicContact CD1-SD 4.42Å; L304-M308 HydrophobicContact CG-CG 4.27Å; L304-M308 WeakPolarHBondContact O-CB 3.45Å; L304-M308 WeakPolarHBondContact O-CG 3.27Å; L304-M308 PolarHBondContact O-N 3.17Å; Y305-M308 PolarHBondContact O-N 2.97Å; M308-L312 HydrophobicContact CE-CD2 4Å; M308-L312 HydrophobicContact SD-CD2 3.39Å; M308-L312 WeakPolarHBondContact SD-CD2 3.45Å; M308-R319 PolarHBondContact O-NH2 3.41Å
309	L	90.7	Very high	89	Confident	63 Å²	63	87.3 Å²	87.3	33%	0.33	42%	0.417	S	S	.	.	H	α-helix	trans	-83.6	-36.2	-177.2	-67	171	0	0	0	113	Y156 I158 Y305 Y307 R319	Y156-L309 HydrophobicContact CD1-CD1 4.35Å; Y156-L309 HydrophobicContact CE1-CD1 3.57Å; I158-L309 HydrophobicContact CD1-CD1 3.85Å; I158-L309 HydrophobicContact CD1-CD2 4.24Å; I158-L309 HydrophobicContact CG1-CD1 3.96Å; Y305-L309 WeakPolarHBondContact O-CB 3.3Å; Y305-L309 VanDerWaalsContact O-CG 3.23Å; Y305-L309 WeakPolarHBondContact O-CG 3.46Å; Y305-L309 PolarHBondContact O-N 3.02Å; Y307-L309 VanDerWaalsContact C-N 3.35Å; Y307-L309 PolarHBondContact O-N 2.91Å; L309-R319 PolarHBondContact O-NH1 3.27Å
310	Y	89.3	Confident	87.5	Confident	57 Å²	57	90.1 Å²	90.1	22%	0.224	43%	0.43	C	S	.	.	H	α-helix	trans	-121.6	-11	-168.7	-56.4	-80.9	0	0	0	115.1	R97 Y156 E160 E306	R97-Y310 VanDerWaalsContact CZ-CE2 3.43Å; R97-Y310 PolarHBondContact NE-OH 2.83Å; R97-Y310 VanDerWaalsContact NH2-CD1 3.32Å; R97-Y310 VanDerWaalsContact NH2-CE2 3.3Å; Y156-Y310 WeakPolarHBondContact OH-CE2 3.42Å; E160-Y310 PolarHBondContact OE2-OH 3.38Å; E160-Y310 VanDerWaalsContact OE2-OH 3.08Å; E306-Y310 WeakPolarHBondContact O-CB 3.09Å; E306-Y310 WeakPolarHBondContact O-CD2 3.32Å; E306-Y310 PolarHBondContact O-N 2.97Å
311	H	87.2	Confident	86.1	Confident	114 Å²	114	90.8 Å²	90.8	53%	0.528	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-45.3	-175.5	-61.9	-81.2	0	0	0	113.3	E306 Y307 H313	E306-H311 PolarHBondContact O-CD2 3.31Å; Y307-H311 HydrophobicContact CD2-CB 3.62Å; Y307-H311 HydrophobicContact CE2-CB 3.93Å; Y307-H311 HydrophobicContact CG-CB 4.38Å; Y307-H311 CarbonylContact O-C 3.58Å; Y307-H311 WeakPolarHBondContact O-CA 3.37Å; Y307-H311 WeakPolarHBondContact O-CB 3.42Å; Y307-H311 PolarHBondContact O-N 3.46Å; H311-H313 PolarHBondContact O-CE1 2.85Å; H311-H313 PolarHBondContact O-N 2.58Å; H311-H313 PolarHBondContact O-ND1 3.23Å
312	L	88.8	Confident	84.8	Confident	69 Å²	69	93.7 Å²	93.7	36%	0.361	44%	0.443	S	S	.	.			trans	-76.5	125.1	-179.8	-175.4	66.8	0	0	0	110.5	Y307 M308 R319	Y307-L312 HydrophobicContact CD1-CB 4.11Å; Y307-L312 HydrophobicContact CE1-CB 3.76Å; Y307-L312 HydrophobicContact CE1-CD1 4.06Å; Y307-L312 HydrophobicContact CE1-CD2 4.28Å; Y307-L312 HydrophobicContact CE1-CG 4.25Å; Y307-L312 PolarHBondContact O-N 3.2Å; M308-L312 HydrophobicContact CE-CD2 4Å; M308-L312 HydrophobicContact SD-CD2 3.39Å; M308-L312 WeakPolarHBondContact SD-CD2 3.45Å; L312-R319 PolarHBondContact O-NH2 3.17Å
313	H	83.3	Confident	83.5	Confident	106 Å²	106	95.5 Å²	95.5	49%	0.491	45%	0.453	S	S	.	.			trans	-132.3	119.1	177.4	-63.4	85.3	0	0	0	109.9	H311 Y315 R319	H311-H313 PolarHBondContact O-CE1 2.85Å; H311-H313 PolarHBondContact O-N 2.58Å; H311-H313 PolarHBondContact O-ND1 3.23Å; H313-Y315 PolarHBondContact O-N 2.86Å; H313-R319 PolarHBondContact NE2-NH1 2.8Å
314	P	85.4	Confident	82.1	Confident	72 Å²	72	91.4 Å²	91.4	47%	0.468	44%	0.438	S	S	.	.			trans	-66.4	130	166.5	26.7	-30.2	0	0	0	109	G316 I317	P314-G316 PolarHBondContact O-N 2.9Å; P314-I317 HydrophobicContact CB-CD1 4.12Å; P314-I317 HydrophobicContact CB-CG1 4.5Å; P314-I317 HydrophobicContact CG-CB 4.11Å; P314-I317 HydrophobicContact CG-CD1 3.79Å; P314-I317 HydrophobicContact CG-CG1 4.21Å; P314-I317 PolarHBondContact O-N 2.87Å
315	Y	84	Confident	81	Confident	239 Å²	239	88.9 Å²	88.9	94%	0.937	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	133.5	179.7	179.3	-98.6	0	0	0	111.2	H313	H313-Y315 PolarHBondContact O-N 2.86Å
316	G	82.4	Confident	79.9	Confident	58 Å²	58	90.2 Å²	90.2	60%	0.598	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-1.6	177.7	0	0	0	0	0	116	P314	P314-G316 PolarHBondContact O-N 2.9Å
317	I	77	Confident	78.8	Confident	113 Å²	113	90 Å²	90	58%	0.579	43%	0.432	S	S	*	.			trans	-105.6	107	175.7	-56.1	-175.8	0	0	0	109.2	P314	P314-I317 HydrophobicContact CB-CD1 4.12Å; P314-I317 HydrophobicContact CB-CG1 4.5Å; P314-I317 HydrophobicContact CG-CB 4.11Å; P314-I317 HydrophobicContact CG-CD1 3.79Å; P314-I317 HydrophobicContact CG-CG1 4.21Å; P314-I317 PolarHBondContact O-N 2.87Å
318	H	69.5	Low	78	Confident	168 Å²	168	87.2 Å²	87.2	78%	0.778	43%	0.425	S	S	*	.			trans	-82.6	133.3	174.4	-59.8	-72.2	0	0	0	110.1
319	R	64.8	Low	77.3	Confident	106 Å²	106	87.2 Å²	87.2	40%	0.4	42%	0.424	S	S	.	.			trans	-85.7	-52.9	-176.7	-67.8	-180	173.9	177.5	-7.6	112.9	M308 L309 L312 H313	M308-R319 PolarHBondContact O-NH2 3.41Å; L309-R319 PolarHBondContact O-NH1 3.27Å; L312-R319 PolarHBondContact O-NH2 3.17Å; H313-R319 PolarHBondContact NE2-NH1 2.8Å
320	D	66.5	Low	76.6	Confident	93 Å²	93	90.6 Å²	90.6	50%	0.497	44%	0.439	S	S	.	.	S	Bend	trans	-132.9	5.2	-155.8	-51.5	-44.2	0	0	0	116.2	M322 D323 L324	D320-M322 VanDerWaalsContact C-N 3.29Å; D320-M322 PolarHBondContact O-N 3.22Å; D320-D323 PolarHBondContact O-N 3.39Å; D320-L324 PolarHBondContact O-N 2.96Å; D320-L324 VanDerWaalsContact O-N 3.13Å
321	Y	69	Low	75.8	Confident	132 Å²	132	91.8 Å²	91.8	52%	0.518	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-36.7	-177.9	-176.6	-108.4	0	0	0	112.4	L324 I325	Y321-L324 PolarHBondContact O-N 2.97Å; Y321-I325 HydrophobicContact CD1-CD1 3.59Å; Y321-I325 HydrophobicContact CD1-CG1 4.39Å; Y321-I325 HydrophobicContact CE1-CD1 3.14Å; Y321-I325 HydrophobicContact CE1-CG1 4.02Å; Y321-I325 HydrophobicContact CG-CD1 4.47Å; Y321-I325 WeakPolarHBondContact O-CG1 3.43Å; Y321-I325 PolarHBondContact O-N 3.06Å
322	M	70	Confident	74.9	Confident	104 Å²	104	95.1 Å²	95.1	51%	0.512	46%	0.457	S	S	.	.	H	α-helix	trans	-68	-35.6	176.3	-66.9	-57.6	-66.1	0	0	112.2	D320 L324 I325 N326	D320-M322 VanDerWaalsContact C-N 3.29Å; D320-M322 PolarHBondContact O-N 3.22Å; M322-L324 VanDerWaalsContact C-N 3.33Å; M322-I325 PolarHBondContact O-N 3.42Å; M322-I325 HydrophobicContact SD-CD1 4.23Å; M322-N326 VanDerWaalsContact O-CB 3.3Å; M322-N326 WeakPolarHBondContact O-CB 3.38Å; M322-N326 PolarHBondContact O-N 3.44Å; M322-N326 PolarHBondContact O-ND2 2.9Å; M322-N326 VanDerWaalsContact O-ND2 3.17Å
323	D	70.4	Confident	72.9	Confident	40 Å²	40	99.5 Å²	99.5	21%	0.214	48%	0.479	C	S	.	.	H	α-helix	trans	-66.4	-38.7	177	-76	-13.4	0	0	0	111.1	L62 Y290 D320 N326 Y327	L62-D323 HydrophobicContact CD2-CB 3.84Å; Y290-D323 PolarHBondContact OH-OD2 2.92Å; D320-D323 PolarHBondContact O-N 3.39Å; D323-N326 PolarHBondContact O-N 2.9Å; D323-Y327 WeakPolarHBondContact O-CB 3.49Å; D323-Y327 PolarHBondContact O-N 3.21Å
324	L	69	Low	70.5	Confident	18 Å²	18	103.1 Å²	103.1	9%	0.094	52%	0.516	C	S	.	.	H	α-helix	trans	-64	-46.6	173.2	-176.6	60	0	0	0	111.6	L57 L62 D320 Y321 M322 N326 Y327 L328	L57-L324 HydrophobicContact CB-CD2 4.23Å; L57-L324 HydrophobicContact CD2-CD1 4.19Å; L57-L324 HydrophobicContact CD2-CD2 3.71Å; L57-L324 HydrophobicContact CD2-CG 4.03Å; L62-L324 HydrophobicContact CB-CD1 4.21Å; D320-L324 PolarHBondContact O-N 2.96Å; D320-L324 VanDerWaalsContact O-N 3.13Å; Y321-L324 PolarHBondContact O-N 2.97Å; M322-L324 VanDerWaalsContact C-N 3.33Å; L324-N326 PolarHBondContact O-N 3.33Å; L324-Y327 PolarHBondContact O-N 2.87Å; L324-L328 HydrophobicContact CD1-CD1 4.25Å; L324-L328 HydrophobicContact CD1-CG 4.35Å; L324-L328 HydrophobicContact CG-CD1 4.1Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.06Å
325	I	74.3	Confident	69.8	Low	38 Å²	38	104.7 Å²	104.7	20%	0.195	52%	0.518	C	S	.	.	H	α-helix	trans	-57.6	-50.9	175.2	-70.5	168.6	0	0	0	110.6	Y321 M322 Y327 L328 Q329	Y321-I325 HydrophobicContact CD1-CD1 3.59Å; Y321-I325 HydrophobicContact CD1-CG1 4.39Å; Y321-I325 HydrophobicContact CE1-CD1 3.14Å; Y321-I325 HydrophobicContact CE1-CG1 4.02Å; Y321-I325 HydrophobicContact CG-CD1 4.47Å; Y321-I325 WeakPolarHBondContact O-CG1 3.43Å; Y321-I325 PolarHBondContact O-N 3.06Å; M322-I325 PolarHBondContact O-N 3.42Å; M322-I325 HydrophobicContact SD-CD1 4.23Å; I325-Y327 VanDerWaalsContact C-N 3.32Å; I325-Y327 PolarHBondContact O-N 3.24Å; I325-L328 PolarHBondContact O-N 3.24Å; I325-Q329 HydrophobicContact CG2-CG 4.29Å; I325-Q329 WeakPolarHBondContact O-CG 3.49Å; I325-Q329 PolarHBondContact O-N 3.26Å
326	N	74	Confident	69	Low	60 Å²	60	97.6 Å²	97.6	32%	0.321	50%	0.496	S	S	.	.	H	α-helix	trans	-60.5	-42.8	-178.8	-72.4	-25.7	0	0	0	111.3	M322 D323 L324 Q329 Q330	M322-N326 VanDerWaalsContact O-CB 3.3Å; M322-N326 WeakPolarHBondContact O-CB 3.38Å; M322-N326 PolarHBondContact O-N 3.44Å; M322-N326 PolarHBondContact O-ND2 2.9Å; M322-N326 VanDerWaalsContact O-ND2 3.17Å; D323-N326 PolarHBondContact O-N 2.9Å; L324-N326 PolarHBondContact O-N 3.33Å; N326-Q329 PolarHBondContact O-N 3.02Å; N326-Q330 WeakPolarHBondContact O-CB 3.31Å; N326-Q330 VanDerWaalsContact O-CG 3.29Å; N326-Q330 WeakPolarHBondContact O-CG 3.07Å; N326-Q330 PolarHBondContact O-N 3.14Å
327	Y	72.2	Confident	68.3	Low	23 Å²	23	99.8 Å²	99.8	9%	0.09	49%	0.491	C	S	.	.	H	α-helix	trans	-61.2	-46.1	176.4	175	-92.3	0	0	0	111.5	L62 V65 L66 Q69 D323 L324 I325 Q329 Q330 N331	L62-Y327 HydrophobicContact CD1-CD1 3.64Å; L62-Y327 HydrophobicContact CD1-CD2 3.64Å; L62-Y327 HydrophobicContact CD1-CE1 4.19Å; L62-Y327 HydrophobicContact CD1-CE2 4.17Å; L62-Y327 HydrophobicContact CD1-CG 3.34Å; V65-Y327 HydrophobicContact CG1-CE1 4.01Å; L66-Y327 HydrophobicContact CD2-CE2 4.04Å; Q69-Y327 PolarHBondContact NE2-OH 3.38Å; Q69-Y327 PolarHBondContact OE1-OH 3.38Å; D323-Y327 WeakPolarHBondContact O-CB 3.49Å; D323-Y327 PolarHBondContact O-N 3.21Å; L324-Y327 PolarHBondContact O-N 2.87Å; I325-Y327 VanDerWaalsContact C-N 3.32Å; I325-Y327 PolarHBondContact O-N 3.24Å; Y327-Q329 VanDerWaalsContact C-N 3.34Å; Y327-Q329 PolarHBondContact O-N 2.82Å; Y327-Q330 PolarHBondContact O-N 3.12Å; Y327-N331 WeakPolarHBondContact CD2-ND2 3.36Å; Y327-N331 VanDerWaalsContact CE2-ND2 3.3Å; Y327-N331 WeakPolarHBondContact CE2-ND2 3.17Å; Y327-N331 WeakPolarHBondContact O-CB 3.36Å; Y327-N331 PolarHBondContact O-N 3.49Å; Y327-N331 PolarHBondContact O-ND2 3.24Å
328	L	76.3	Confident	67.8	Low	63 Å²	63	99.1 Å²	99.1	33%	0.33	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-38.9	178.2	-66.8	167	0	0	0	111.8	L57 L324 I325 N331 R332	L57-L328 HydrophobicContact CD1-CD1 4.47Å; L57-L328 HydrophobicContact CD2-CD1 3.46Å; L57-L328 VanDerWaalsContact CD2-CD1 3.46Å; L324-L328 HydrophobicContact CD1-CD1 4.25Å; L324-L328 HydrophobicContact CD1-CG 4.35Å; L324-L328 HydrophobicContact CG-CD1 4.1Å; L324-L328 WeakPolarHBondContact O-CG 3.4Å; L324-L328 PolarHBondContact O-N 3.06Å; I325-L328 PolarHBondContact O-N 3.24Å; L328-N331 PolarHBondContact O-N 2.7Å; L328-R332 WeakPolarHBondContact O-CG 3.25Å; L328-R332 PolarHBondContact O-N 3.04Å
329	Q	78.5	Confident	67.7	Low	96 Å²	96	94.8 Å²	94.8	45%	0.449	47%	0.467	S	S	.	.	H	α-helix	trans	-63.3	-41.6	175.2	-74	174.4	-21.4	0	0	112	I325 N326 Y327 N331	I325-Q329 HydrophobicContact CG2-CG 4.29Å; I325-Q329 WeakPolarHBondContact O-CG 3.49Å; I325-Q329 PolarHBondContact O-N 3.26Å; N326-Q329 PolarHBondContact O-N 3.02Å; Y327-Q329 VanDerWaalsContact C-N 3.34Å; Y327-Q329 PolarHBondContact O-N 2.82Å; Q329-N331 VanDerWaalsContact C-N 3.34Å
330	Q	77.3	Confident	67.9	Low	134 Å²	134	94 Å²	94	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-73.6	-23.3	179.7	-71.4	173.2	13.9	0	0	113.6	N326 Y327	N326-Q330 WeakPolarHBondContact O-CB 3.31Å; N326-Q330 VanDerWaalsContact O-CG 3.29Å; N326-Q330 WeakPolarHBondContact O-CG 3.07Å; N326-Q330 PolarHBondContact O-N 3.14Å; Y327-Q330 PolarHBondContact O-N 3.12Å
331	N	72.7	Confident	68	Low	82 Å²	82	94.1 Å²	94.1	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-112.9	7.9	-175.1	-66.6	-85.7	0	0	0	114.1	Y327 L328 Q329 I333	Y327-N331 WeakPolarHBondContact CD2-ND2 3.36Å; Y327-N331 VanDerWaalsContact CE2-ND2 3.3Å; Y327-N331 WeakPolarHBondContact CE2-ND2 3.17Å; Y327-N331 WeakPolarHBondContact O-CB 3.36Å; Y327-N331 PolarHBondContact O-N 3.49Å; Y327-N331 PolarHBondContact O-ND2 3.24Å; L328-N331 PolarHBondContact O-N 2.7Å; Q329-N331 VanDerWaalsContact C-N 3.34Å; N331-I333 PolarHBondContact O-N 3.25Å
332	R	67.5	Low	67.9	Low	184 Å²	184	91.2 Å²	91.2	69%	0.694	47%	0.466	S	S	*	.			trans	-68.3	101.1	168.6	-92.6	-179.7	-173.3	-175.5	3.2	109.2	L328	L328-R332 WeakPolarHBondContact O-CG 3.25Å; L328-R332 PolarHBondContact O-N 3.04Å
333	I	47.8	Very low	67.7	Low	161 Å²	161	90.1 Å²	90.1	83%	0.826	46%	0.462	S	S	*	.			trans	-70.4	121.8	162.7	-56.2	173.8	0	0	0	106.1	N331	N331-I333 PolarHBondContact O-N 3.25Å
334	S	32.6	Very low	67.5	Low	182 Å²	182	94.6 Å²	94.6	100%	1.273	49%	0.485	S	S	*	.			trans	-52.1	0	171	58.3	0	0	0	0	112.8

Retrieved 334 of 334 residues in 192.1 ms (Link to these results)

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