A0A096NPD2_PAPAN Loading...

Carboxypeptidase O

Carboxypeptidase which preferentially cleaves C-terminal acidic residues from peptides and proteins. Can also cleave C-terminal hydrophobic amino acids, with a preference for small residues over large residues.

AlphaFold DB (A0A2K5NVK7), UniProt , Accession A0A096NPD2, Species PAPAN (Papio anubis, Olive baboon), Gene CPO, Length 374 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	31.4	Very low	32.5	Very low	243 Å²	243	163.5 Å²	163.5	100%	1.197	82%	0.824	S	S	*	*				0	115.5	0	-72.5	172.5	-71.6	0	0	107.9
2	K	38.5	Very low	32.8	Very low	191 Å²	191	156 Å²	156	83%	0.83	82%	0.818	S	S	*	*			trans	-70	155.5	162.7	-86.8	-179.2	175.1	-179.3	0	108.3
3	P	49.2	Very low	32.5	Very low	118 Å²	118	157.2 Å²	157.2	77%	0.766	82%	0.82	S	S	*	*				-139.7	152.6	60.5	17.1	10.2	0	0	0	114.4
4	L	32.5	Very low	32.5	Very low	148 Å²	148	158.5 Å²	158.5	78%	0.775	83%	0.827	S	S	*	*				64.4	121.6	77.4	-89.6	159.7	0	0	0	115.5
5	L	31.1	Very low	32.4	Very low	140 Å²	140	157 Å²	157	73%	0.733	83%	0.827	S	S	*	*			trans	142.9	112.9	142.1	-97.3	96.8	0	0	0	109.1
6	E	29.3	Very low	32.5	Very low	163 Å²	163	154.9 Å²	154.9	76%	0.762	83%	0.826	S	S	*	*				117.4	114.7	68.6	-97.4	-167.8	-174	0	0	109.6
7	T	32.5	Very low	32.3	Very low	118 Å²	118	150.4 Å²	150.4	72%	0.724	82%	0.824	S	S	*	*			trans	15.3	124	138	15	0	0	0	0	120.8
8	L	27.8	Very low	32.7	Very low	162 Å²	162	146.3 Å²	146.3	85%	0.848	82%	0.823	S	S	*	*				-174.2	125	113.8	-122.1	85.9	0	0	0	114
9	Y	27.2	Very low	32.8	Very low	209 Å²	209	147.8 Å²	147.8	82%	0.82	83%	0.827	S	S	*	*			trans	32.1	138.6	141.6	-91.5	-89.9	0	0	0	125.7
10	L	30.2	Very low	32.7	Very low	146 Å²	146	144.5 Å²	144.5	76%	0.764	83%	0.827	S	S	*	*			trans	74.4	100.8	146.1	-89.9	144.7	0	0	0	119.3
11	L	28.4	Very low	32.9	Very low	161 Å²	161	146.6 Å²	146.6	84%	0.843	82%	0.823	S	S	*	*			trans	-160.1	121.4	130.8	-109.4	132.4	0	0	0	110.3	M13	L11-M13 PolarHBondContact O-N 3.41Å
12	G	35.3	Very low	33.4	Very low	73 Å²	73	139.4 Å²	139.4	75%	0.753	79%	0.79	S	S	*	*			trans	-61.5	124.3	166	0	0	0	0	0	109.2
13	M	29.3	Very low	33.3	Very low	171 Å²	171	139.9 Å²	139.9	84%	0.842	79%	0.786	S	S	*	*			trans	-130.8	125.6	157.8	-77.6	-146.7	-107.8	0	0	109.1	L11	L11-M13 PolarHBondContact O-N 3.41Å
14	L	32.7	Very low	32.7	Very low	176 Å²	176	137.1 Å²	137.1	92%	0.921	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-49.2	128.6	173.1	-72	123	0	0	0	111.3
15	V	31.2	Very low	33	Very low	136 Å²	136	134.9 Å²	134.9	82%	0.824	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-103.8	120.4	157.6	179.8	0	0	0	0	107.3
16	P	33.3	Very low	33.4	Very low	124 Å²	124	130 Å²	130	81%	0.805	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-85.6	130	171.6	32.5	-27.3	0	0	0	109.3
17	G	29.4	Very low	33.6	Very low	77 Å²	77	128.8 Å²	128.8	79%	0.794	73%	0.733	S	S	*	*			trans	156	83.2	170.7	0	0	0	0	0	115
18	G	39.3	Very low	33.8	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	72%	0.721	S	S	*	*			trans	17.9	107	155.7	0	0	0	0	0	120
19	L	34.2	Very low	34.5	Very low	175 Å²	175	127.3 Å²	127.3	92%	0.916	71%	0.707	S	S	*	*			trans	-147.6	110.3	135	-95.4	162.3	0	0	0	105.3	Y21	L19-Y21 PolarHBondContact O-N 2.94Å
20	G	32.1	Very low	35	Very low	80 Å²	80	123.2 Å²	123.2	83%	0.825	70%	0.695	S	S	*	*			trans	-58.4	111.4	179.3	0	0	0	0	0	109.7	D22	G20-D22 VanDerWaalsContact C-N 3.29Å; G20-D22 PolarHBondContact O-N 3.35Å
21	Y	36.3	Very low	35.5	Very low	189 Å²	189	122.2 Å²	122.2	74%	0.741	69%	0.686	S	S	*	*			trans	-70.3	95.5	164.4	-162.5	-93.4	0	0	0	106.4	L19 R23	L19-Y21 PolarHBondContact O-N 2.94Å; Y21-R23 PolarHBondContact O-N 2.92Å
22	D	42.1	Very low	36.3	Very low	92 Å²	92	119.8 Å²	119.8	49%	0.492	67%	0.673	S	S	.	*			trans	-66.5	100	-176.9	-166.4	-10.9	0	0	0	109.4	G20 S24 L25	G20-D22 VanDerWaalsContact C-N 3.29Å; G20-D22 PolarHBondContact O-N 3.35Å; D22-S24 PolarHBondContact O-N 3.43Å; D22-S24 VanDerWaalsContact O-N 3.13Å; D22-S24 VanDerWaalsContact OD1-CB 3.22Å; D22-S24 WeakPolarHBondContact OD1-CB 3.25Å; D22-S24 PolarHBondContact OD1-N 2.77Å; D22-S24 PolarHBondContact OD1-OG 3.23Å; D22-S24 PolarHBondContact OD2-OG 2.98Å; D22-S24 VanDerWaalsContact OD2-OG 3.13Å; D22-L25 HydrophobicContact CB-CD1 4.27Å; D22-L25 PolarHBondContact O-N 3.31Å; D22-L25 VanDerWaalsContact O-N 3.13Å
23	R	36.1	Very low	36.8	Very low	201 Å²	201	121.9 Å²	121.9	76%	0.758	67%	0.671	S	S	*	*	H	α-helix	trans	-59.8	-18.3	177.2	-77.6	-175.2	176.5	-148.2	-0.1	112.1	Y21 A26 Q27	Y21-R23 PolarHBondContact O-N 2.92Å; R23-A26 PolarHBondContact O-N 3.03Å; R23-Q27 PolarHBondContact O-N 2.83Å
24	S	36.3	Very low	37.3	Very low	61 Å²	61	118.9 Å²	118.9	43%	0.427	66%	0.659	S	S	.	*	H	α-helix	trans	-67	-35.2	175.5	78	0	0	0	0	112.2	D22 A26 Q27 H28	D22-S24 PolarHBondContact O-N 3.43Å; D22-S24 VanDerWaalsContact O-N 3.13Å; D22-S24 VanDerWaalsContact OD1-CB 3.22Å; D22-S24 WeakPolarHBondContact OD1-CB 3.25Å; D22-S24 PolarHBondContact OD1-N 2.77Å; D22-S24 PolarHBondContact OD1-OG 3.23Å; D22-S24 PolarHBondContact OD2-OG 2.98Å; D22-S24 VanDerWaalsContact OD2-OG 3.13Å; S24-A26 VanDerWaalsContact C-N 3.35Å; S24-A26 PolarHBondContact O-N 2.45Å; S24-Q27 PolarHBondContact O-N 3.33Å; S24-H28 WeakPolarHBondContact O-CB 3.37Å; S24-H28 PolarHBondContact O-N 2.76Å
25	L	39.5	Very low	37.5	Very low	100 Å²	100	118.4 Å²	118.4	52%	0.524	65%	0.649	S	S	.	*	H	α-helix	trans	-70.5	-30.6	175.7	-73.8	168.8	0	0	0	112.3	D22 R29	D22-L25 HydrophobicContact CB-CD1 4.27Å; D22-L25 PolarHBondContact O-N 3.31Å; D22-L25 VanDerWaalsContact O-N 3.13Å; L25-R29 WeakPolarHBondContact O-CB 3.37Å; L25-R29 WeakPolarHBondContact O-CG 3.42Å; L25-R29 PolarHBondContact O-N 2.97Å; L25-R29 PolarHBondContact O-NE 3.24Å
26	A	38.8	Very low	37.7	Very low	39 Å²	39	118.1 Å²	118.1	32%	0.322	65%	0.65	S	S	.	*	H	α-helix	trans	-74.3	-34.9	174	0	0	0	0	0	111.9	R23 S24 R29	R23-A26 PolarHBondContact O-N 3.03Å; S24-A26 VanDerWaalsContact C-N 3.35Å; S24-A26 PolarHBondContact O-N 2.45Å; A26-R29 WeakPolarHBondContact O-CB 3.17Å
27	Q	34.2	Very low	38.5	Very low	136 Å²	136	115.3 Å²	115.3	64%	0.636	63%	0.63	S	S	*	*	H	α-helix	trans	-70.8	-39.2	173.1	-76.5	176	-47.5	0	0	111.9	R23 S24 R29 Q30 E31	R23-Q27 PolarHBondContact O-N 2.83Å; S24-Q27 PolarHBondContact O-N 3.33Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.07Å; Q27-Q30 PolarHBondContact O-N 3.1Å; Q27-E31 PolarHBondContact O-N 3.45Å
28	H	35.9	Very low	39.3	Very low	105 Å²	105	115.8 Å²	115.8	49%	0.486	62%	0.622	S	S	.	*	H	α-helix	trans	-70.3	-28.6	175.8	-148.2	57.9	0	0	0	113.1	S24 Q30 E31 I32	S24-H28 WeakPolarHBondContact O-CB 3.37Å; S24-H28 PolarHBondContact O-N 2.76Å; H28-Q30 VanDerWaalsContact C-N 3.26Å; H28-Q30 PolarHBondContact O-N 3.15Å; H28-E31 IonicContact ND1-OE2 2.73Å; H28-E31 PolarHBondContact ND1-OE2 3.37Å; H28-E31 PolarHBondContact O-N 3.12Å; H28-I32 PolarHBondContact O-N 3.3Å
29	R	43.7	Very low	39.5	Very low	144 Å²	144	117.4 Å²	117.4	54%	0.543	62%	0.618	S	S	.	*	H	α-helix	trans	-61.2	-31.2	170.1	-85.4	173	-143.7	-132.6	2.3	113.2	L25 A26 Q27 V33	L25-R29 WeakPolarHBondContact O-CB 3.37Å; L25-R29 WeakPolarHBondContact O-CG 3.42Å; L25-R29 PolarHBondContact O-N 2.97Å; L25-R29 PolarHBondContact O-NE 3.24Å; A26-R29 WeakPolarHBondContact O-CB 3.17Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.07Å; R29-V33 WeakPolarHBondContact O-CG2 3.37Å
30	Q	37.7	Very low	40.4	Very low	124 Å²	124	114.3 Å²	114.3	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-81.6	-41.5	177.6	-138	79.6	21.9	0	0	110.7	Q27 H28 I32 V33 D34	Q27-Q30 PolarHBondContact O-N 3.1Å; H28-Q30 VanDerWaalsContact C-N 3.26Å; H28-Q30 PolarHBondContact O-N 3.15Å; Q30-I32 PolarHBondContact O-N 2.92Å; Q30-V33 PolarHBondContact O-N 3.42Å; Q30-V33 VanDerWaalsContact O-N 3.15Å; Q30-D34 WeakPolarHBondContact O-CB 3.43Å; Q30-D34 PolarHBondContact O-N 3.46Å
31	E	40	Very low	42	Very low	124 Å²	124	112.8 Å²	112.8	58%	0.579	57%	0.571	S	S	*	*	H	α-helix	trans	-66.3	-31.3	-175.1	-77.6	-179.8	155.7	0	0	115.3	Q27 H28 V33 D34 K35	Q27-E31 PolarHBondContact O-N 3.45Å; H28-E31 IonicContact ND1-OE2 2.73Å; H28-E31 PolarHBondContact ND1-OE2 3.37Å; H28-E31 PolarHBondContact O-N 3.12Å; E31-V33 VanDerWaalsContact C-N 3.33Å; E31-D34 PolarHBondContact O-N 3.25Å; E31-K35 PolarHBondContact O-N 2.87Å
32	I	45.7	Very low	43.7	Very low	110 Å²	110	105.2 Å²	105.2	56%	0.564	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-25.4	176.5	-62	177.2	0	0	0	111.3	H28 Q30	H28-I32 PolarHBondContact O-N 3.3Å; Q30-I32 PolarHBondContact O-N 2.92Å
33	V	45.2	Very low	45	Very low	117 Å²	117	109.3 Å²	109.3	71%	0.709	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-26.1	172.3	179.4	0	0	0	0	111.5	R29 Q30 E31	R29-V33 WeakPolarHBondContact O-CG2 3.37Å; Q30-V33 PolarHBondContact O-N 3.42Å; Q30-V33 VanDerWaalsContact O-N 3.15Å; E31-V33 VanDerWaalsContact C-N 3.33Å
34	D	39.4	Very low	47.2	Very low	108 Å²	108	103.5 Å²	103.5	58%	0.578	55%	0.546	S	S	*	.			trans	-102.5	13.7	-172.3	-76.7	-23.3	0	0	0	115.5	Q30 E31 P36	Q30-D34 WeakPolarHBondContact O-CB 3.43Å; Q30-D34 PolarHBondContact O-N 3.46Å; E31-D34 PolarHBondContact O-N 3.25Å; D34-P36 WeakPolarHBondContact O-CD 3.47Å; D34-P36 VanDerWaalsContact O-N 3.14Å
35	K	38	Very low	49.9	Very low	167 Å²	167	101.6 Å²	101.6	73%	0.726	53%	0.53	S	S	*	.	S	Bend	trans	-58.7	125.6	163.4	-84.9	-169.9	-179.8	178.3	0	107.3	E31 V37	E31-K35 PolarHBondContact O-N 2.87Å; K35-V37 PolarHBondContact O-N 2.83Å
36	P	35.4	Very low	52.6	Low	130 Å²	130	99 Å²	99	84%	0.844	52%	0.52	S	S	*	.			trans	-69.9	88.2	-176.7	27.9	-31.8	0	0	0	108	D34 S38	D34-P36 WeakPolarHBondContact O-CD 3.47Å; D34-P36 VanDerWaalsContact O-N 3.14Å; P36-S38 PolarHBondContact O-N 3.26Å
37	V	48.6	Very low	55.5	Low	64 Å²	64	98.8 Å²	98.8	39%	0.388	51%	0.511	S	S	.	.			trans	-62.2	115.8	154.1	-177.3	0	0	0	0	103.5	K35 P39 E55	K35-V37 PolarHBondContact O-N 2.83Å; V37-P39 VanDerWaalsContact O-N 3.17Å; V37-E55 HydrophobicContact CG1-CG 3.91Å
38	S	46.8	Very low	58.5	Low	88 Å²	88	95.2 Å²	95.2	62%	0.615	50%	0.496	S	S	*	.			trans	-41.7	127.7	172.3	174.1	0	0	0	0	107.8	P36 R40	P36-S38 PolarHBondContact O-N 3.26Å; S38-R40 PolarHBondContact O-N 3.3Å
39	P	43.8	Very low	61.4	Low	111 Å²	111	92.3 Å²	92.3	72%	0.721	48%	0.484	S	S	*	.			trans	-66.7	85.9	-176	26.4	-32.6	0	0	0	108.5	V37 S41	V37-P39 VanDerWaalsContact O-N 3.17Å; P39-S41 PolarHBondContact O-N 3.11Å; P39-S41 VanDerWaalsContact O-N 3.15Å
40	R	53	Low	64.1	Low	110 Å²	110	86.3 Å²	86.3	42%	0.415	46%	0.462	S	S	.	.			trans	-72.9	102	163.6	-83.8	-174.7	178.6	161.9	-2.7	104.9	S38 T44 E55 Q58	S38-R40 PolarHBondContact O-N 3.3Å; R40-T44 VanDerWaalsContact CA-OG1 3.28Å; R40-T44 WeakPolarHBondContact CA-OG1 3.33Å; R40-T44 VanDerWaalsContact CB-OG1 3.25Å; R40-T44 WeakPolarHBondContact CB-OG1 3.35Å; R40-T44 WeakPolarHBondContact CG-OG1 3.39Å; R40-E55 IonicContact NH1-OE1 2.72Å; R40-E55 IonicContact NH1-OE2 3.59Å; R40-Q58 PolarHBondContact O-NE2 2.89Å
41	S	64.5	Low	67	Low	49 Å²	49	80.5 Å²	80.5	34%	0.343	43%	0.434	S	S	.	.			trans	-54.5	150.9	164.6	54.8	0	0	0	0	109.2	P39 E43 T44 Y45	P39-S41 PolarHBondContact O-N 3.11Å; P39-S41 VanDerWaalsContact O-N 3.15Å; S41-E43 PolarHBondContact O-N 3.36Å; S41-T44 WeakPolarHBondContact O-CA 3.47Å; S41-T44 PolarHBondContact O-N 3.38Å; S41-T44 PolarHBondContact O-OG1 3.17Å; S41-Y45 PolarHBondContact O-N 3.43Å
42	L	72.7	Confident	69.8	Low	29 Å²	29	76.5 Å²	76.5	15%	0.152	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-39.3	-33.7	166.9	-94.3	170	0	0	0	114.3	T44 Y45 E62 I63 K66	L42-T44 PolarHBondContact O-N 2.89Å; L42-Y45 WeakPolarHBondContact O-CB 3.24Å; L42-Y45 PolarHBondContact O-N 2.82Å; L42-Y45 VanDerWaalsContact O-N 3.17Å; L42-E62 HydrophobicContact CD1-CB 3.49Å; L42-E62 VanDerWaalsContact CD1-CB 3.49Å; L42-E62 WeakPolarHBondContact CD1-O 3.36Å; L42-E62 HydrophobicContact CG-CB 3.58Å; L42-E62 WeakPolarHBondContact CG-OE2 3.25Å; L42-E62 PolarHBondContact N-OE2 3.36Å; L42-I63 HydrophobicContact CD2-CB 4.48Å; L42-K66 HydrophobicContact CD1-CB 3.94Å; L42-K66 HydrophobicContact CD1-CD 3.79Å
43	E	70.8	Confident	72.3	Confident	178 Å²	178	71.7 Å²	71.7	83%	0.832	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-60	-24.7	176.6	-60.1	-171.1	163.5	0	0	113.9	S41	S41-E43 PolarHBondContact O-N 3.36Å
44	T	81.1	Confident	74.8	Confident	79 Å²	79	68 Å²	68	49%	0.485	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-107.4	1.5	179	63.7	0	0	0	0	112.9	R40 S41 L42 S46	R40-T44 VanDerWaalsContact CA-OG1 3.28Å; R40-T44 WeakPolarHBondContact CA-OG1 3.33Å; R40-T44 VanDerWaalsContact CB-OG1 3.25Å; R40-T44 WeakPolarHBondContact CB-OG1 3.35Å; R40-T44 WeakPolarHBondContact CG-OG1 3.39Å; S41-T44 WeakPolarHBondContact O-CA 3.47Å; S41-T44 PolarHBondContact O-N 3.38Å; S41-T44 PolarHBondContact O-OG1 3.17Å; L42-T44 PolarHBondContact O-N 2.89Å; T44-S46 PolarHBondContact O-N 3.44Å
45	Y	93.5	Very high	77.6	Confident	21 Å²	21	64.5 Å²	64.5	8%	0.082	36%	0.36	C	S	.	.			trans	-72.7	121.7	178.2	-163.1	-91.6	0	0	0	110.6	S41 L42 Y47 H51 W59 Q119	S41-Y45 PolarHBondContact O-N 3.43Å; L42-Y45 WeakPolarHBondContact O-CB 3.24Å; L42-Y45 PolarHBondContact O-N 2.82Å; L42-Y45 VanDerWaalsContact O-N 3.17Å; Y45-Y47 HydrophobicContact CD1-CD1 4.35Å; Y45-Y47 HydrophobicContact CD1-CD2 4.27Å; Y45-Y47 HydrophobicContact CD1-CE1 4.08Å; Y45-Y47 AromaticContact CD1-CE2 3.99Å; Y45-Y47 HydrophobicContact CD1-CE2 3.99Å; Y45-Y47 HydrophobicContact CD1-CG 4.44Å; Y45-Y47 AromaticContact CD1-CZ 3.9Å; Y45-Y47 HydrophobicContact CE1-CD1 4.19Å; Y45-Y47 HydrophobicContact CE1-CE1 4.01Å; Y45-H51 AromaticContact CE1-CD2 3.78Å; Y45-H51 AromaticContact CE1-NE2 3.52Å; Y45-H51 AromaticContact CE2-CE1 3.73Å; Y45-H51 AromaticContact CE2-ND1 3.82Å; Y45-H51 AromaticContact CE2-NE2 3.87Å; Y45-H51 AromaticContact CZ-CD2 3.4Å; Y45-H51 VanDerWaalsContact CZ-CD2 3.4Å; Y45-H51 AromaticContact CZ-CE1 3.77Å; Y45-H51 AromaticContact CZ-CG 3.72Å; Y45-H51 AromaticContact CZ-ND1 3.95Å; Y45-H51 AromaticContact CZ-NE2 3.43Å; Y45-H51 PolarHBondContact OH-CD2 2.76Å; Y45-W59 AromaticContact CD1-CD1 3.65Å; Y45-W59 HydrophobicContact CD1-CG 4.41Å; Y45-W59 HydrophobicContact CD2-CB 4.05Å; Y45-W59 HydrophobicContact CD2-CG 4.41Å; Y45-W59 HydrophobicContact CE1-CB 4.42Å; Y45-W59 AromaticContact CE1-CD1 3.54Å; Y45-W59 AromaticContact CE1-CG 3.95Å; Y45-W59 HydrophobicContact CE1-CG 3.95Å; Y45-W59 AromaticContact CE1-NE1 4Å; Y45-W59 HydrophobicContact CE2-CB 3.54Å; Y45-W59 AromaticContact CE2-CG 3.97Å; Y45-W59 HydrophobicContact CE2-CG 3.97Å; Y45-W59 AromaticContact CG-CD1 3.94Å; Y45-W59 AromaticContact CZ-CD1 3.75Å; Y45-W59 AromaticContact CZ-CG 3.7Å; Y45-Q119 PolarHBondContact OH-OE1 3.44Å
46	S	96.7	Very high	80.5	Confident	45 Å²	45	56.5 Å²	56.5	32%	0.315	33%	0.325	S	S	.	.			trans	-105.5	108.8	-175.2	176.9	0	0	0	0	111.5	T44 N48 I49 H51	T44-S46 PolarHBondContact O-N 3.44Å; S46-N48 PolarHBondContact O-N 3.24Å; S46-N48 PolarHBondContact OG-N 2.76Å; S46-I49 WeakPolarHBondContact O-CG1 3.29Å; S46-I49 PolarHBondContact O-N 2.9Å; S46-H51 PolarHBondContact O-NE2 3.15Å
47	Y	98	Very high	83.5	Confident	35 Å²	35	52.7 Å²	52.7	14%	0.137	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	5.1	175.1	-62.9	-89.5	0	0	0	114.5	Y45 W59 Q119 K123 I326	Y45-Y47 HydrophobicContact CD1-CD1 4.35Å; Y45-Y47 HydrophobicContact CD1-CD2 4.27Å; Y45-Y47 HydrophobicContact CD1-CE1 4.08Å; Y45-Y47 AromaticContact CD1-CE2 3.99Å; Y45-Y47 HydrophobicContact CD1-CE2 3.99Å; Y45-Y47 HydrophobicContact CD1-CG 4.44Å; Y45-Y47 AromaticContact CD1-CZ 3.9Å; Y45-Y47 HydrophobicContact CE1-CD1 4.19Å; Y45-Y47 HydrophobicContact CE1-CE1 4.01Å; Y47-W59 HydrophobicContact CE1-CZ2 4.37Å; Y47-W59 AromaticContact CE1-NE1 3.6Å; Y47-W59 AromaticContact CZ-NE1 3.55Å; Y47-W59 PolarHBondContact OH-NE1 3Å; Y47-Q119 HydrophobicContact CD1-CB 4.14Å; Y47-Q119 HydrophobicContact CE1-CB 4.11Å; Y47-Q119 WeakPolarHBondContact CE1-O 3.47Å; Y47-K123 HydrophobicContact CD1-CB 4.09Å; Y47-K123 HydrophobicContact CD1-CD 4.1Å; Y47-K123 HydrophobicContact CD1-CG 4.44Å; Y47-K123 HydrophobicContact CD2-CD 3.64Å; Y47-K123 HydrophobicContact CD2-CG 4.04Å; Y47-K123 HydrophobicContact CE1-CB 3.59Å; Y47-K123 HydrophobicContact CE1-CD 4.31Å; Y47-K123 HydrophobicContact CE1-CG 4.14Å; Y47-K123 HydrophobicContact CE2-CB 4.08Å; Y47-K123 HydrophobicContact CE2-CD 3.88Å; Y47-K123 HydrophobicContact CE2-CG 3.71Å; Y47-K123 HydrophobicContact CG-CD 3.75Å; Y47-K123 HydrophobicContact CG-CG 4.38Å; Y47-I326 VanDerWaalsContact O-CG2 3.28Å; Y47-I326 WeakPolarHBondContact O-CG2 3.48Å
48	N	97.4	Very high	85.8	Confident	61 Å²	61	51 Å²	51	33%	0.326	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	7.2	-178.6	-70	-7.4	0	0	0	113.1	S46 W120 Q327	S46-N48 PolarHBondContact O-N 3.24Å; S46-N48 PolarHBondContact OG-N 2.76Å; N48-W120 WeakPolarHBondContact OD1-CZ3 3.39Å; N48-Q327 PolarHBondContact ND2-OE1 3.09Å; N48-Q327 VanDerWaalsContact ND2-OE1 3.15Å; N48-Q327 WeakPolarHBondContact OD1-CB 3.39Å
49	I	98.4	Very high	88.2	Confident	45 Å²	45	46.8 Å²	46.8	23%	0.231	25%	0.253	C	S	.	.	S	Bend	trans	-128.8	165.5	175.2	66	173.4	0	0	0	110.2	S46 E323	S46-I49 WeakPolarHBondContact O-CG1 3.29Å; S46-I49 PolarHBondContact O-N 2.9Å; I49-E323 WeakPolarHBondContact CA-OE1 3.09Å; I49-E323 VanDerWaalsContact CB-OE1 3.3Å; I49-E323 WeakPolarHBondContact CB-OE1 3.42Å; I49-E323 WeakPolarHBondContact CG2-OE2 3.45Å
50	Y	98.8	Very high	90.8	Very high	18 Å²	18	41.7 Å²	41.7	7%	0.071	22%	0.219	C	C	.	.			trans	-85.2	143.6	171.2	-60.8	-65.1	0	0	0	110.9	W112 I113 A116 W159 L321 E323 I326	Y50-W112 HydrophobicContact CD1-CB 3.65Å; Y50-W112 HydrophobicContact CD1-CE3 4.38Å; Y50-W112 AromaticContact CD2-CE3 3.74Å; Y50-W112 HydrophobicContact CD2-CE3 3.74Å; Y50-W112 HydrophobicContact CD2-CZ3 4.38Å; Y50-W112 HydrophobicContact CE1-CB 3.7Å; Y50-W112 HydrophobicContact CE2-CE3 4.41Å; Y50-W112 HydrophobicContact CG-CB 4.17Å; Y50-W112 HydrophobicContact CG-CD2 4.47Å; Y50-W112 AromaticContact CG-CE3 3.71Å; Y50-W112 HydrophobicContact CG-CE3 3.71Å; Y50-I113 HydrophobicContact CE1-CB 4.48Å; Y50-A116 HydrophobicContact CD1-CB 4.26Å; Y50-A116 HydrophobicContact CE1-CB 4.25Å; Y50-W159 WeakPolarHBondContact O-CH2 3.39Å; Y50-L321 WeakPolarHBondContact CE2-O 3.41Å; Y50-L321 PolarHBondContact OH-O 3.36Å; Y50-E323 HydrophobicContact CD2-CG 3.87Å; Y50-E323 HydrophobicContact CE2-CG 4.08Å; Y50-E323 PolarHBondContact N-OE1 3.1Å; Y50-E323 VanDerWaalsContact N-OE1 3.15Å; Y50-I326 HydrophobicContact CD1-CD1 3.8Å; Y50-I326 HydrophobicContact CD2-CD1 4.09Å; Y50-I326 HydrophobicContact CE1-CD1 3.62Å; Y50-I326 HydrophobicContact CE1-CG1 3.84Å; Y50-I326 HydrophobicContact CE2-CD1 3.94Å; Y50-I326 HydrophobicContact CE2-CG1 4.38Å; Y50-I326 HydrophobicContact CG-CD1 4.04Å
51	H	98.7	Very high	92.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.222	C	C	.	.			trans	-117.7	133.3	-175.2	-69.9	-75.8	0	0	0	112.1	Y45 S46 E55 I56 Y155 W159	Y45-H51 AromaticContact CE1-CD2 3.78Å; Y45-H51 AromaticContact CE1-NE2 3.52Å; Y45-H51 AromaticContact CE2-CE1 3.73Å; Y45-H51 AromaticContact CE2-ND1 3.82Å; Y45-H51 AromaticContact CE2-NE2 3.87Å; Y45-H51 AromaticContact CZ-CD2 3.4Å; Y45-H51 VanDerWaalsContact CZ-CD2 3.4Å; Y45-H51 AromaticContact CZ-CE1 3.77Å; Y45-H51 AromaticContact CZ-CG 3.72Å; Y45-H51 AromaticContact CZ-ND1 3.95Å; Y45-H51 AromaticContact CZ-NE2 3.43Å; Y45-H51 PolarHBondContact OH-CD2 2.76Å; S46-H51 PolarHBondContact O-NE2 3.15Å; H51-E55 HydrophobicContact CB-CB 4.12Å; H51-E55 IonicContact CE1-OE2 3.64Å; H51-E55 IonicContact CG-OE2 3.47Å; H51-E55 IonicContact ND1-OE2 2.87Å; H51-E55 PolarHBondContact ND1-OE2 3.34Å; H51-I56 HydrophobicContact CB-CD1 4.47Å; H51-I56 HydrophobicContact CB-CG1 3.88Å; H51-Y155 WeakPolarHBondContact O-CE1 3.42Å; H51-Y155 PolarHBondContact O-OH 3.31Å; H51-W159 WeakPolarHBondContact O-CZ2 3.46Å
52	P	98.6	Very high	94.4	Very high	40 Å²	40	41.5 Å²	41.5	26%	0.26	21%	0.212	S	C	.	.			trans	-64.7	158.3	169.7	29.8	-35.3	0	0	0	110.6	G54 E55 I56 W159	P52-G54 PolarHBondContact O-N 2.54Å; P52-G54 VanDerWaalsContact O-N 3.11Å; P52-E55 HydrophobicContact CG-CB 4.29Å; P52-E55 HydrophobicContact CG-CG 3.92Å; P52-E55 PolarHBondContact O-N 2.77Å; P52-I56 PolarHBondContact O-N 2.57Å; P52-W159 HydrophobicContact CB-CD2 4.05Å; P52-W159 HydrophobicContact CB-CE3 4.22Å; P52-W159 HydrophobicContact CB-CG 4.38Å
53	M	98.5	Very high	95.5	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.044	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-36.1	-172.9	-169.3	65.9	-143.3	0	0	114.2	E55 I56 Y57 V149 I152 Y155 I156	M53-E55 VanDerWaalsContact C-N 3.32Å; M53-E55 PolarHBondContact O-N 3.43Å; M53-I56 HydrophobicContact CE-CB 4.22Å; M53-I56 HydrophobicContact CE-CG2 4.08Å; M53-I56 PolarHBondContact O-N 3.45Å; M53-I56 VanDerWaalsContact O-N 3.15Å; M53-I56 HydrophobicContact SD-CB 4.44Å; M53-Y57 HydrophobicContact CE-CD1 3.62Å; M53-Y57 HydrophobicContact CE-CD2 3.97Å; M53-Y57 HydrophobicContact CE-CE1 3.42Å; M53-Y57 VanDerWaalsContact CE-CE1 3.42Å; M53-Y57 HydrophobicContact CE-CE2 3.8Å; M53-Y57 HydrophobicContact CE-CG 3.89Å; M53-Y57 HydrophobicContact CG-CD2 3.9Å; M53-Y57 HydrophobicContact CG-CE2 3.56Å; M53-Y57 WeakPolarHBondContact O-CD2 3.46Å; M53-Y57 PolarHBondContact O-N 3.49Å; M53-V149 HydrophobicContact CE-CB 4.42Å; M53-V149 HydrophobicContact CE-CG2 4.47Å; M53-V149 HydrophobicContact SD-CB 3.97Å; M53-V149 HydrophobicContact SD-CG1 4.14Å; M53-V149 HydrophobicContact SD-CG2 3.89Å; M53-I152 HydrophobicContact CE-CD1 4.34Å; M53-I152 HydrophobicContact CE-CG1 4.44Å; M53-I152 HydrophobicContact CE-CG2 4.5Å; M53-I152 HydrophobicContact CG-CG2 3.7Å; M53-I152 HydrophobicContact SD-CG1 4.33Å; M53-I152 HydrophobicContact SD-CG2 3.92Å; M53-Y155 HydrophobicContact CB-CD1 4.22Å; M53-Y155 HydrophobicContact SD-CD1 4.31Å; M53-I156 HydrophobicContact CB-CD1 4.17Å; M53-I156 HydrophobicContact CB-CG1 3.67Å; M53-I156 HydrophobicContact CG-CD1 4.31Å; M53-I156 HydrophobicContact CG-CG1 4.25Å
54	G	97.9	Very high	96.7	Very high	39 Å²	39	32.4 Å²	32.4	40%	0.402	17%	0.171	S	C	.	.	H	α-helix	trans	-59.3	-41.1	177.2	0	0	0	0	0	112.9	P52 Y57 Q58	P52-G54 PolarHBondContact O-N 2.54Å; P52-G54 VanDerWaalsContact O-N 3.11Å; G54-Y57 PolarHBondContact O-N 3.16Å; G54-Q58 PolarHBondContact O-N 2.88Å; G54-Q58 VanDerWaalsContact O-N 3.09Å
55	E	98.1	Very high	97.4	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.159	18%	0.176	C	C	.	.	H	α-helix	trans	-68.1	-37.4	175.3	-70.5	-177.1	-151.6	0	0	111.3	V37 R40 H51 P52 M53 Q58 W59	V37-E55 HydrophobicContact CG1-CG 3.91Å; R40-E55 IonicContact NH1-OE1 2.72Å; R40-E55 IonicContact NH1-OE2 3.59Å; H51-E55 HydrophobicContact CB-CB 4.12Å; H51-E55 IonicContact CE1-OE2 3.64Å; H51-E55 IonicContact CG-OE2 3.47Å; H51-E55 IonicContact ND1-OE2 2.87Å; H51-E55 PolarHBondContact ND1-OE2 3.34Å; P52-E55 HydrophobicContact CG-CB 4.29Å; P52-E55 HydrophobicContact CG-CG 3.92Å; P52-E55 PolarHBondContact O-N 2.77Å; M53-E55 VanDerWaalsContact C-N 3.32Å; M53-E55 PolarHBondContact O-N 3.43Å; E55-Q58 PolarHBondContact O-N 3.37Å; E55-W59 VanDerWaalsContact O-CB 3.31Å; E55-W59 WeakPolarHBondContact O-CB 3.31Å; E55-W59 PolarHBondContact O-N 3.48Å
56	I	98.7	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-43.1	175.7	-60.1	176.2	0	0	0	110.8	H51 P52 M53 Q58 W59 M60 P148 V149 Y155	H51-I56 HydrophobicContact CB-CD1 4.47Å; H51-I56 HydrophobicContact CB-CG1 3.88Å; P52-I56 PolarHBondContact O-N 2.57Å; M53-I56 HydrophobicContact CE-CB 4.22Å; M53-I56 HydrophobicContact CE-CG2 4.08Å; M53-I56 PolarHBondContact O-N 3.45Å; M53-I56 VanDerWaalsContact O-N 3.15Å; M53-I56 HydrophobicContact SD-CB 4.44Å; I56-Q58 PolarHBondContact O-N 2.95Å; I56-W59 HydrophobicContact CG2-CE3 4.17Å; I56-W59 WeakPolarHBondContact O-CB 3.34Å; I56-W59 PolarHBondContact O-N 2.9Å; I56-M60 HydrophobicContact CG2-CG 4.48Å; I56-M60 HydrophobicContact CG2-SD 4.39Å; I56-M60 VanDerWaalsContact O-CG 3.29Å; I56-M60 WeakPolarHBondContact O-CG 3.27Å; I56-M60 PolarHBondContact O-N 3.22Å; I56-P148 HydrophobicContact CG2-CB 4.35Å; I56-V149 HydrophobicContact CD1-CG2 3.87Å; I56-Y155 HydrophobicContact CD1-CE1 3.78Å
57	Y	98.4	Very high	97.5	Very high	49 Å²	49	39.1 Å²	39.1	19%	0.192	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-44.8	175.4	-78	-50	0	0	0	112.4	M53 G54 W59 M60 R61 P84 Y86 I152	M53-Y57 HydrophobicContact CE-CD1 3.62Å; M53-Y57 HydrophobicContact CE-CD2 3.97Å; M53-Y57 HydrophobicContact CE-CE1 3.42Å; M53-Y57 VanDerWaalsContact CE-CE1 3.42Å; M53-Y57 HydrophobicContact CE-CE2 3.8Å; M53-Y57 HydrophobicContact CE-CG 3.89Å; M53-Y57 HydrophobicContact CG-CD2 3.9Å; M53-Y57 HydrophobicContact CG-CE2 3.56Å; M53-Y57 WeakPolarHBondContact O-CD2 3.46Å; M53-Y57 PolarHBondContact O-N 3.49Å; G54-Y57 PolarHBondContact O-N 3.16Å; Y57-W59 VanDerWaalsContact C-N 3.33Å; Y57-M60 PolarHBondContact O-N 2.72Å; Y57-R61 PolarHBondContact O-N 2.74Å; Y57-R61 VanDerWaalsContact O-N 3.13Å; Y57-P84 HydrophobicContact CE1-CG 4.5Å; Y57-P84 WeakPolarHBondContact CE1-O 3.37Å; Y57-P84 PolarHBondContact OH-O 3.42Å; Y57-Y86 HydrophobicContact CD1-CD2 4.3Å; Y57-Y86 HydrophobicContact CE1-CD2 4.02Å; Y57-Y86 HydrophobicContact CE1-CE2 4.44Å; Y57-I152 HydrophobicContact CE1-CD1 4.49Å; Y57-I152 WeakPolarHBondContact OH-CD1 3.29Å
58	Q	97.1	Very high	97.4	Very high	28 Å²	28	45.5 Å²	45.5	13%	0.131	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-47.2	175.9	178.2	172.2	5.7	0	0	110.7	R40 G54 E55 I56 M60 R61 E62	R40-Q58 PolarHBondContact O-NE2 2.89Å; G54-Q58 PolarHBondContact O-N 2.88Å; G54-Q58 VanDerWaalsContact O-N 3.09Å; E55-Q58 PolarHBondContact O-N 3.37Å; I56-Q58 PolarHBondContact O-N 2.95Å; Q58-M60 PolarHBondContact O-N 3.38Å; Q58-R61 PolarHBondContact O-N 3.46Å; Q58-E62 HydrophobicContact CG-CG 4.26Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.32Å; Q58-E62 PolarHBondContact NE2-OE1 3.01Å; Q58-E62 WeakPolarHBondContact O-CG 3.4Å; Q58-E62 PolarHBondContact O-N 3.27Å
59	W	98.1	Very high	97.2	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-44.7	175.7	166.1	83.3	0	0	0	112.7	Y45 Y47 E55 I56 Y57 R61 E62 I63 L88 Q119 V122 P148	Y45-W59 AromaticContact CD1-CD1 3.65Å; Y45-W59 HydrophobicContact CD1-CG 4.41Å; Y45-W59 HydrophobicContact CD2-CB 4.05Å; Y45-W59 HydrophobicContact CD2-CG 4.41Å; Y45-W59 HydrophobicContact CE1-CB 4.42Å; Y45-W59 AromaticContact CE1-CD1 3.54Å; Y45-W59 AromaticContact CE1-CG 3.95Å; Y45-W59 HydrophobicContact CE1-CG 3.95Å; Y45-W59 AromaticContact CE1-NE1 4Å; Y45-W59 HydrophobicContact CE2-CB 3.54Å; Y45-W59 AromaticContact CE2-CG 3.97Å; Y45-W59 HydrophobicContact CE2-CG 3.97Å; Y45-W59 AromaticContact CG-CD1 3.94Å; Y45-W59 AromaticContact CZ-CD1 3.75Å; Y45-W59 AromaticContact CZ-CG 3.7Å; Y47-W59 HydrophobicContact CE1-CZ2 4.37Å; Y47-W59 AromaticContact CE1-NE1 3.6Å; Y47-W59 AromaticContact CZ-NE1 3.55Å; Y47-W59 PolarHBondContact OH-NE1 3Å; E55-W59 VanDerWaalsContact O-CB 3.31Å; E55-W59 WeakPolarHBondContact O-CB 3.31Å; E55-W59 PolarHBondContact O-N 3.48Å; I56-W59 HydrophobicContact CG2-CE3 4.17Å; I56-W59 WeakPolarHBondContact O-CB 3.34Å; I56-W59 PolarHBondContact O-N 2.9Å; Y57-W59 VanDerWaalsContact C-N 3.33Å; W59-R61 VanDerWaalsContact C-N 3.34Å; W59-R61 PolarHBondContact O-N 3.2Å; W59-E62 PolarHBondContact O-N 3.39Å; W59-I63 HydrophobicContact CZ2-CD1 3.9Å; W59-I63 VanDerWaalsContact O-CB 3.31Å; W59-I63 WeakPolarHBondContact O-CB 3.1Å; W59-I63 WeakPolarHBondContact O-CG2 3.41Å; W59-I63 PolarHBondContact O-N 2.85Å; W59-L88 HydrophobicContact CH2-CD1 3.86Å; W59-L88 HydrophobicContact CZ3-CD1 4.04Å; W59-Q119 HydrophobicContact CD2-CG 4.33Å; W59-Q119 HydrophobicContact CE3-CG 3.99Å; W59-Q119 HydrophobicContact CH2-CB 3.97Å; W59-Q119 HydrophobicContact CH2-CG 3.72Å; W59-Q119 HydrophobicContact CZ2-CB 3.88Å; W59-Q119 HydrophobicContact CZ2-CG 4.02Å; W59-Q119 HydrophobicContact CZ3-CB 4.43Å; W59-Q119 HydrophobicContact CZ3-CG 3.7Å; W59-V122 HydrophobicContact CH2-CB 3.97Å; W59-V122 HydrophobicContact CH2-CG1 4.11Å; W59-V122 HydrophobicContact CH2-CG2 4.01Å; W59-V122 HydrophobicContact CZ2-CB 3.89Å; W59-V122 HydrophobicContact CZ2-CG1 3.88Å; W59-V122 HydrophobicContact CZ2-CG2 4.45Å; W59-P148 HydrophobicContact CH2-CG 4.47Å; W59-P148 HydrophobicContact CZ3-CB 4.37Å; W59-P148 HydrophobicContact CZ3-CG 3.88Å
60	M	98.1	Very high	97.2	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-41.5	177.7	-70.9	177.2	77.9	0	0	112.6	I56 Y57 Q58 I63 S64 Y86 L88 P148	I56-M60 HydrophobicContact CG2-CG 4.48Å; I56-M60 HydrophobicContact CG2-SD 4.39Å; I56-M60 VanDerWaalsContact O-CG 3.29Å; I56-M60 WeakPolarHBondContact O-CG 3.27Å; I56-M60 PolarHBondContact O-N 3.22Å; Y57-M60 PolarHBondContact O-N 2.72Å; Q58-M60 PolarHBondContact O-N 3.38Å; M60-I63 WeakPolarHBondContact O-CG2 3.46Å; M60-S64 WeakPolarHBondContact O-CB 3.25Å; M60-S64 PolarHBondContact O-N 3.35Å; M60-S64 PolarHBondContact O-OG 2.88Å; M60-Y86 WeakPolarHBondContact CE-O 3.49Å; M60-L88 HydrophobicContact CB-CD2 4.23Å; M60-L88 HydrophobicContact CE-CD2 4.07Å; M60-L88 HydrophobicContact CE-CG 3.94Å; M60-L88 HydrophobicContact CG-CD1 4.36Å; M60-L88 HydrophobicContact CG-CG 4.5Å; M60-P148 HydrophobicContact CE-CG 4.13Å; M60-P148 HydrophobicContact CG-CG 4.45Å; M60-P148 HydrophobicContact SD-CG 4.09Å
61	R	96.9	Very high	97.1	Very high	126 Å²	126	44.1 Å²	44.1	48%	0.475	21%	0.209	S	C	.	.	H	α-helix	trans	-65.8	-53.4	177	178.7	180	64	-139.6	-2.5	110.4	Y57 Q58 W59 I63 S64 E65	Y57-R61 PolarHBondContact O-N 2.74Å; Y57-R61 VanDerWaalsContact O-N 3.13Å; Q58-R61 PolarHBondContact O-N 3.46Å; W59-R61 VanDerWaalsContact C-N 3.34Å; W59-R61 PolarHBondContact O-N 3.2Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.32Å; R61-S64 WeakPolarHBondContact O-CB 3.28Å; R61-S64 PolarHBondContact O-N 3.38Å; R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 WeakPolarHBondContact O-CG 3.32Å; R61-E65 PolarHBondContact O-N 2.91Å
62	E	95.9	Very high	97.1	Very high	29 Å²	29	47 Å²	47	14%	0.136	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-37.4	-175.6	-67.9	-178.7	-174.2	0	0	111.8	L42 Q58 W59 S64 E65 K66	L42-E62 HydrophobicContact CD1-CB 3.49Å; L42-E62 VanDerWaalsContact CD1-CB 3.49Å; L42-E62 WeakPolarHBondContact CD1-O 3.36Å; L42-E62 HydrophobicContact CG-CB 3.58Å; L42-E62 WeakPolarHBondContact CG-OE2 3.25Å; L42-E62 PolarHBondContact N-OE2 3.36Å; Q58-E62 HydrophobicContact CG-CG 4.26Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.32Å; Q58-E62 PolarHBondContact NE2-OE1 3.01Å; Q58-E62 WeakPolarHBondContact O-CG 3.4Å; Q58-E62 PolarHBondContact O-N 3.27Å; W59-E62 PolarHBondContact O-N 3.39Å; E62-S64 VanDerWaalsContact C-N 3.31Å; E62-S64 PolarHBondContact O-N 3.19Å; E62-E65 PolarHBondContact O-N 3.29Å; E62-K66 WeakPolarHBondContact O-CB 3.09Å; E62-K66 PolarHBondContact O-N 2.93Å
63	I	96.2	Very high	97.1	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-33.5	178.9	-151.2	155.7	0	0	0	111.4	L42 W59 M60 R61 Y67 L88 V122 L126	L42-I63 HydrophobicContact CD2-CB 4.48Å; W59-I63 HydrophobicContact CZ2-CD1 3.9Å; W59-I63 VanDerWaalsContact O-CB 3.31Å; W59-I63 WeakPolarHBondContact O-CB 3.1Å; W59-I63 WeakPolarHBondContact O-CG2 3.41Å; W59-I63 PolarHBondContact O-N 2.85Å; M60-I63 WeakPolarHBondContact O-CG2 3.46Å; R61-I63 VanDerWaalsContact C-N 3.33Å; R61-I63 PolarHBondContact O-N 3.32Å; I63-Y67 HydrophobicContact CG1-CD2 3.86Å; I63-Y67 HydrophobicContact CG1-CE2 4.17Å; I63-Y67 PolarHBondContact O-N 3.14Å; I63-L88 HydrophobicContact CG2-CD1 3.82Å; I63-V122 HydrophobicContact CD1-CG1 3.81Å; I63-L126 HydrophobicContact CD1-CD1 3.8Å; I63-L126 HydrophobicContact CG1-CD1 3.63Å
64	S	96	Very high	97	Very high	15 Å²	15	50.6 Å²	50.6	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-36.9	173.7	-57.3	0	0	0	0	111.9	M60 R61 E62 K68 L88	M60-S64 WeakPolarHBondContact O-CB 3.25Å; M60-S64 PolarHBondContact O-N 3.35Å; M60-S64 PolarHBondContact O-OG 2.88Å; R61-S64 WeakPolarHBondContact O-CB 3.28Å; R61-S64 PolarHBondContact O-N 3.38Å; E62-S64 VanDerWaalsContact C-N 3.31Å; E62-S64 PolarHBondContact O-N 3.19Å; S64-K68 WeakPolarHBondContact O-CA 3.22Å; S64-K68 WeakPolarHBondContact O-CB 3.35Å; S64-K68 PolarHBondContact O-N 3.03Å; S64-K68 VanDerWaalsContact O-N 3.14Å; S64-L88 WeakPolarHBondContact OG-CD2 3.34Å
65	E	95.5	Very high	97.1	Very high	125 Å²	125	54.5 Å²	54.5	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-69.7	-44.2	175.5	-71.6	170.8	-177.8	0	0	111.9	R61 E62	R61-E65 WeakPolarHBondContact CG-OE1 3.48Å; R61-E65 WeakPolarHBondContact O-CG 3.32Å; R61-E65 PolarHBondContact O-N 2.91Å; E62-E65 PolarHBondContact O-N 3.29Å
66	K	95.5	Very high	97.1	Very high	120 Å²	120	53.9 Å²	53.9	52%	0.522	24%	0.244	S	C	.	.	H	α-helix	trans	-66.9	-38.8	-179.1	-177.7	172.3	179.1	170.7	0	112.8	L42 E62	L42-K66 HydrophobicContact CD1-CB 3.94Å; L42-K66 HydrophobicContact CD1-CD 3.79Å; E62-K66 WeakPolarHBondContact O-CB 3.09Å; E62-K66 PolarHBondContact O-N 2.93Å
67	Y	96.2	Very high	97.1	Very high	40 Å²	40	54.5 Å²	54.5	16%	0.157	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	38.1	-177.7	-63.6	-86.5	0	0	0	112.2	I63 E69 V70 V71 L126 Y129	I63-Y67 HydrophobicContact CG1-CD2 3.86Å; I63-Y67 HydrophobicContact CG1-CE2 4.17Å; I63-Y67 PolarHBondContact O-N 3.14Å; Y67-E69 WeakPolarHBondContact CA-OE2 3.29Å; Y67-E69 PolarHBondContact O-N 2.67Å; Y67-V70 PolarHBondContact O-N 3.03Å; Y67-V71 PolarHBondContact O-N 3.16Å; Y67-L126 HydrophobicContact CD1-CB 4.19Å; Y67-L126 HydrophobicContact CD1-CD2 4.33Å; Y67-L126 HydrophobicContact CD2-CB 4.33Å; Y67-L126 HydrophobicContact CD2-CD1 3.79Å; Y67-L126 HydrophobicContact CE1-CB 4.03Å; Y67-L126 WeakPolarHBondContact CE1-O 3.45Å; Y67-L126 HydrophobicContact CE2-CB 4.19Å; Y67-L126 HydrophobicContact CE2-CD1 4.22Å; Y67-L126 HydrophobicContact CG-CB 4.33Å; Y67-L126 HydrophobicContact CG-CD1 4.05Å; Y67-L126 HydrophobicContact CG-CD2 4.2Å; Y67-L126 HydrophobicContact CG-CG 4.43Å; Y67-Y129 HydrophobicContact CD1-CE1 4.28Å; Y67-Y129 HydrophobicContact CE1-CE1 4.32Å
68	K	95.6	Very high	97.1	Very high	169 Å²	169	55.4 Å²	55.4	74%	0.735	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-19.2	-174.6	67.7	-177.5	179.8	-176	0	115.3	S64 V70	S64-K68 WeakPolarHBondContact O-CA 3.22Å; S64-K68 WeakPolarHBondContact O-CB 3.35Å; S64-K68 PolarHBondContact O-N 3.03Å; S64-K68 VanDerWaalsContact O-N 3.14Å; K68-V70 VanDerWaalsContact C-N 3.34Å
69	E	94.6	Very high	97.2	Very high	84 Å²	84	54.2 Å²	54.2	39%	0.393	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-19.4	176.9	76.9	-67.7	172.8	0	0	113.7	Y67 Y129	Y67-E69 WeakPolarHBondContact CA-OE2 3.29Å; Y67-E69 PolarHBondContact O-N 2.67Å; E69-Y129 PolarHBondContact OE1-OH 2.79Å
70	V	96.8	Very high	97.2	Very high	9 Å²	9	59.6 Å²	59.6	6%	0.055	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-10.1	179.4	-70.2	0	0	0	0	114.7	Y67 K68 I90 S91 Q92 L126 Y129	Y67-V70 PolarHBondContact O-N 3.03Å; K68-V70 VanDerWaalsContact C-N 3.34Å; V70-I90 CarbonylContact O-C 3.58Å; V70-I90 VanDerWaalsContact O-CA 3.29Å; V70-I90 WeakPolarHBondContact O-CA 3.44Å; V70-S91 VanDerWaalsContact CA-O 3.32Å; V70-S91 WeakPolarHBondContact CA-O 3.32Å; V70-S91 PolarHBondContact O-N 3.27Å; V70-Q92 HydrophobicContact CG1-CG 3.87Å; V70-L126 HydrophobicContact CG2-CD2 3.75Å; V70-Y129 HydrophobicContact CG1-CD2 4.03Å; V70-Y129 HydrophobicContact CG1-CE2 3.75Å; V70-Y129 HydrophobicContact CG2-CD2 4.36Å; V70-Y129 HydrophobicContact CG2-CE2 3.99Å
71	V	98.1	Very high	97.2	Very high	2 Å²	2	63 Å²	63	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.6	-179.6	-175	0	0	0	0	110.8	Y67 L88 K89 I90 L126	Y67-V71 PolarHBondContact O-N 3.16Å; V71-L88 HydrophobicContact CG1-CB 4.49Å; V71-L88 HydrophobicContact CG1-CD2 4.17Å; V71-K89 WeakPolarHBondContact CA-O 3.23Å; V71-I90 HydrophobicContact CG2-CG1 4.49Å; V71-L126 HydrophobicContact CG2-CD1 3.66Å; V71-L126 HydrophobicContact CG2-CD2 3.39Å; V71-L126 HydrophobicContact CG2-CG 4.14Å
72	T	97.8	Very high	97.3	Very high	62 Å²	62	61 Å²	61	38%	0.38	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.2	168.8	47.6	0	0	0	0	110.1	H74 K89	T72-H74 WeakPolarHBondContact CB-NE2 3.36Å; T72-H74 PolarHBondContact O-CD2 2.64Å; T72-H74 PolarHBondContact OG1-NE2 2.85Å; T72-K89 PolarHBondContact N-O 2.89Å; T72-K89 PolarHBondContact O-N 3.4Å
73	Q	97.9	Very high	97.4	Very high	61 Å²	61	61.4 Å²	61.4	29%	0.285	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.4	175	-175.1	178	6.2	0	0	109.7	Y86 L88	Q73-Y86 HydrophobicContact CG-CD1 3.9Å; Q73-Y86 HydrophobicContact CG-CG 4.04Å; Q73-L88 HydrophobicContact CB-CD2 4.09Å; Q73-L88 HydrophobicContact CG-CD2 4.29Å
74	H	98.4	Very high	97.5	Very high	65 Å²	65	63.2 Å²	63.2	30%	0.301	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.9	-177	-67.4	-89.8	0	0	0	110.7	T72 Y86 Y87	T72-H74 WeakPolarHBondContact CB-NE2 3.36Å; T72-H74 PolarHBondContact O-CD2 2.64Å; T72-H74 PolarHBondContact OG1-NE2 2.85Å; H74-Y86 VanDerWaalsContact O-CA 3.26Å; H74-Y86 WeakPolarHBondContact O-CA 3.43Å; H74-Y87 HydrophobicContact CB-CD1 3.93Å; H74-Y87 HydrophobicContact CB-CD2 4.32Å; H74-Y87 HydrophobicContact CB-CE1 3.35Å; H74-Y87 HydrophobicContact CB-CE2 3.8Å; H74-Y87 HydrophobicContact CB-CG 4.38Å; H74-Y87 WeakPolarHBondContact CB-OH 3.28Å; H74-Y87 AromaticContact CD2-CE2 3.92Å; H74-Y87 AromaticContact CG-CE2 4Å; H74-Y87 AromaticContact CG-CZ 3.7Å; H74-Y87 PolarHBondContact N-O 3.47Å; H74-Y87 PolarHBondContact O-N 2.99Å
75	F	98.6	Very high	97.7	Very high	121 Å²	121	62.5 Å²	62.5	53%	0.531	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	131.3	174.1	179.2	-103.2	0	0	0	110.4	G77 V78 P84 Y86	F75-G77 WeakPolarHBondContact CE2-O 3.46Å; F75-G77 VanDerWaalsContact CZ-C 3.44Å; F75-G77 VanDerWaalsContact CZ-O 3.24Å; F75-G77 WeakPolarHBondContact CZ-O 3.34Å; F75-V78 HydrophobicContact CE2-CG1 4.11Å; F75-V78 HydrophobicContact CZ-CG1 3.86Å; F75-P84 HydrophobicContact CD2-CB 4.38Å; F75-P84 HydrophobicContact CE2-CB 4.02Å; F75-Y86 HydrophobicContact CB-CD1 4.12Å; F75-Y86 HydrophobicContact CB-CE1 3.87Å; F75-Y86 HydrophobicContact CD2-CD1 4.36Å; F75-Y86 AromaticContact CD2-CE1 3.82Å; F75-Y86 HydrophobicContact CD2-CE1 3.82Å; F75-Y86 HydrophobicContact CG-CE1 4.35Å
76	L	98.4	Very high	97.8	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-34.5	-177.4	-171.6	60.6	0	0	0	112.4	M85 Y87 W102 L147 A217 V218 F221	L76-M85 HydrophobicContact CB-CB 4.15Å; L76-M85 WeakPolarHBondContact CB-O 3.43Å; L76-M85 HydrophobicContact CD2-CE 4.38Å; L76-M85 PolarHBondContact N-O 3.2Å; L76-Y87 HydrophobicContact CB-CD1 4.18Å; L76-Y87 HydrophobicContact CD1-CD1 4.14Å; L76-Y87 HydrophobicContact CD1-CE1 4.25Å; L76-W102 HydrophobicContact CD2-CH2 4.05Å; L76-L147 HydrophobicContact CD2-CD1 4.35Å; L76-L147 HydrophobicContact CD2-CD2 3.9Å; L76-A217 HydrophobicContact CG-CB 4.19Å; L76-V218 HydrophobicContact CD2-CG2 4.03Å; L76-F221 HydrophobicContact CD1-CB 3.43Å; L76-F221 VanDerWaalsContact CD1-CB 3.43Å; L76-F221 HydrophobicContact CD1-CD1 4.01Å; L76-F221 HydrophobicContact CD1-CD2 4.05Å; L76-F221 HydrophobicContact CD1-CG 3.55Å
77	G	98.6	Very high	98	Very high	13 Å²	13	54.9 Å²	54.9	13%	0.134	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-166.6	-174.6	0	0	0	0	0	111.8	F75 M85	F75-G77 WeakPolarHBondContact CE2-O 3.46Å; F75-G77 VanDerWaalsContact CZ-C 3.44Å; F75-G77 VanDerWaalsContact CZ-O 3.24Å; F75-G77 WeakPolarHBondContact CZ-O 3.34Å; G77-M85 PolarHBondContact O-N 3.35Å
78	V	98.6	Very high	98.1	Very high	69 Å²	69	53 Å²	53	42%	0.418	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.4	173.6	-65.4	0	0	0	0	109.9	F75 H83	F75-V78 HydrophobicContact CE2-CG1 4.11Å; F75-V78 HydrophobicContact CZ-CG1 3.86Å; V78-H83 CarbonylContact C-O 3.59Å; V78-H83 WeakPolarHBondContact CA-O 3.41Å
79	T	98.8	Very high	98.2	Very high	3 Å²	3	47 Å²	47	2%	0.018	23%	0.233	C	C	.	.			trans	-75.5	177	172.1	64.8	0	0	0	0	112.2	E81 T82 H83 M85 I152 D153 E214	T79-E81 PolarHBondContact O-N 3.25Å; T79-T82 PolarHBondContact O-N 2.93Å; T79-T82 VanDerWaalsContact O-N 3.1Å; T79-T82 PolarHBondContact OG1-N 3.07Å; T79-H83 HydrophobicContact CG2-CB 4.31Å; T79-H83 PolarHBondContact N-O 2.85Å; T79-H83 WeakPolarHBondContact OG1-CB 3.43Å; T79-H83 PolarHBondContact OG1-N 3.28Å; T79-H83 PolarHBondContact OG1-O 3.28Å; T79-M85 HydrophobicContact CG2-CG 3.82Å; T79-M85 HydrophobicContact CG2-SD 4.13Å; T79-I152 HydrophobicContact CG2-CB 3.79Å; T79-I152 HydrophobicContact CG2-CD1 4.29Å; T79-I152 HydrophobicContact CG2-CG1 4.27Å; T79-D153 VanDerWaalsContact CB-CG 3.48Å; T79-D153 WeakPolarHBondContact CB-OD1 3.14Å; T79-D153 VanDerWaalsContact CB-OD2 3.27Å; T79-D153 WeakPolarHBondContact CB-OD2 3.27Å; T79-D153 PolarHBondContact OG1-OD1 3.22Å; T79-D153 PolarHBondContact OG1-OD2 3.02Å; T79-E214 WeakPolarHBondContact CA-OE1 3.38Å; T79-E214 VanDerWaalsContact CB-OE1 3.31Å; T79-E214 WeakPolarHBondContact CB-OE1 3.33Å; T79-E214 HydrophobicContact CG2-CG 3.78Å
80	Y	98.4	Very high	98.4	Very high	113 Å²	113	43 Å²	43	44%	0.443	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-46.5	176.6	-176.9	-89	0	0	0	112.5	T82 D153 P171 E214	Y80-T82 PolarHBondContact O-N 3.15Å; Y80-D153 PolarHBondContact N-OD2 3.05Å; Y80-P171 HydrophobicContact CE1-CG 4.05Å; Y80-P171 HydrophobicContact CE2-CG 4.44Å; Y80-P171 WeakPolarHBondContact OH-CD 3.33Å; Y80-P171 WeakPolarHBondContact OH-CG 3.39Å; Y80-E214 PolarHBondContact N-OE1 3.43Å
81	E	98.6	Very high	98.4	Very high	75 Å²	75	43.7 Å²	43.7	35%	0.35	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	15.7	177.7	-58.3	179	161.2	0	0	112.5	T79 H83 D153 R169	T79-E81 PolarHBondContact O-N 3.25Å; E81-H83 PolarHBondContact O-N 3.45Å; E81-D153 HydrophobicContact CB-CB 4.44Å; E81-D153 WeakPolarHBondContact CB-OD2 3.14Å; E81-D153 HydrophobicContact CG-CB 4.23Å; E81-D153 WeakPolarHBondContact CG-OD2 3.17Å; E81-D153 PolarHBondContact N-OD2 2.91Å; E81-R169 HydrophobicContact CG-CB 4.19Å; E81-R169 WeakPolarHBondContact OE1-CB 3.49Å; E81-R169 IonicContact OE1-NE 2.71Å
82	T	98.4	Very high	98.1	Very high	83 Å²	83	45.3 Å²	45.3	51%	0.509	23%	0.227	S	C	.	.			trans	71.1	22.1	172.2	71.3	0	0	0	0	116.2	T79 Y80	T79-T82 PolarHBondContact O-N 2.93Å; T79-T82 VanDerWaalsContact O-N 3.1Å; T79-T82 PolarHBondContact OG1-N 3.07Å; Y80-T82 PolarHBondContact O-N 3.15Å
83	H	98.8	Very high	97.6	Very high	39 Å²	39	47.9 Å²	47.9	18%	0.181	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-77.1	134.9	171.8	-61	100.9	0	0	0	110.9	V78 T79 E81 M85 I152 D153	V78-H83 CarbonylContact C-O 3.59Å; V78-H83 WeakPolarHBondContact CA-O 3.41Å; T79-H83 HydrophobicContact CG2-CB 4.31Å; T79-H83 PolarHBondContact N-O 2.85Å; T79-H83 WeakPolarHBondContact OG1-CB 3.43Å; T79-H83 PolarHBondContact OG1-N 3.28Å; T79-H83 PolarHBondContact OG1-O 3.28Å; E81-H83 PolarHBondContact O-N 3.45Å; H83-M85 PolarHBondContact O-N 3.46Å; H83-I152 HydrophobicContact CB-CB 4.43Å; H83-I152 HydrophobicContact CB-CG2 3.79Å; H83-D153 IonicContact CE1-OD1 3.41Å; H83-D153 IonicContact CG-OD1 3.95Å; H83-D153 IonicContact ND1-OD1 3.87Å; H83-D153 PolarHBondContact ND1-OD1 3.22Å
84	P	98.6	Very high	97	Very high	39 Å²	39	47.8 Å²	47.8	25%	0.253	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126	-177.6	30.8	-35.9	0	0	0	112.1	Y57 F75 Y86	Y57-P84 HydrophobicContact CE1-CG 4.5Å; Y57-P84 WeakPolarHBondContact CE1-O 3.37Å; Y57-P84 PolarHBondContact OH-O 3.42Å; F75-P84 HydrophobicContact CD2-CB 4.38Å; F75-P84 HydrophobicContact CE2-CB 4.02Å; P84-Y86 HydrophobicContact CB-CD2 4.29Å; P84-Y86 HydrophobicContact CB-CE2 3.53Å; P84-Y86 HydrophobicContact CG-CD2 4.47Å; P84-Y86 HydrophobicContact CG-CE2 3.64Å
85	M	98.8	Very high	96.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.2	174.6	-60.8	173.4	70.5	0	0	109.9	L76 G77 T79 H83 L147 L150 I152 E214 A217 V218	L76-M85 HydrophobicContact CB-CB 4.15Å; L76-M85 WeakPolarHBondContact CB-O 3.43Å; L76-M85 HydrophobicContact CD2-CE 4.38Å; L76-M85 PolarHBondContact N-O 3.2Å; G77-M85 PolarHBondContact O-N 3.35Å; T79-M85 HydrophobicContact CG2-CG 3.82Å; T79-M85 HydrophobicContact CG2-SD 4.13Å; H83-M85 PolarHBondContact O-N 3.46Å; M85-L147 HydrophobicContact CE-CD2 4.33Å; M85-L150 HydrophobicContact CE-CG 4.36Å; M85-I152 HydrophobicContact CB-CD1 4.35Å; M85-I152 HydrophobicContact CG-CD1 3.84Å; M85-E214 HydrophobicContact CE-CB 4.02Å; M85-E214 HydrophobicContact CE-CG 4.5Å; M85-E214 HydrophobicContact SD-CB 4.03Å; M85-E214 HydrophobicContact SD-CG 4.08Å; M85-A217 HydrophobicContact CE-CB 4.5Å; M85-A217 HydrophobicContact SD-CB 4.14Å; M85-V218 HydrophobicContact CE-CG2 4.38Å
86	Y	98.8	Very high	95.6	Very high	70 Å²	70	48.7 Å²	48.7	28%	0.275	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.5	175.7	-63.6	-77.8	0	0	0	110.8	Y57 M60 Q73 H74 F75 P84 L147	Y57-Y86 HydrophobicContact CD1-CD2 4.3Å; Y57-Y86 HydrophobicContact CE1-CD2 4.02Å; Y57-Y86 HydrophobicContact CE1-CE2 4.44Å; M60-Y86 WeakPolarHBondContact CE-O 3.49Å; Q73-Y86 HydrophobicContact CG-CD1 3.9Å; Q73-Y86 HydrophobicContact CG-CG 4.04Å; H74-Y86 VanDerWaalsContact O-CA 3.26Å; H74-Y86 WeakPolarHBondContact O-CA 3.43Å; F75-Y86 HydrophobicContact CB-CD1 4.12Å; F75-Y86 HydrophobicContact CB-CE1 3.87Å; F75-Y86 HydrophobicContact CD2-CD1 4.36Å; F75-Y86 AromaticContact CD2-CE1 3.82Å; F75-Y86 HydrophobicContact CD2-CE1 3.82Å; F75-Y86 HydrophobicContact CG-CE1 4.35Å; P84-Y86 HydrophobicContact CB-CD2 4.29Å; P84-Y86 HydrophobicContact CB-CE2 3.53Å; P84-Y86 HydrophobicContact CG-CD2 4.47Å; P84-Y86 HydrophobicContact CG-CE2 3.64Å; Y86-L147 WeakPolarHBondContact O-CD1 3.38Å
87	Y	98.8	Very high	95.2	Very high	16 Å²	16	53.9 Å²	53.9	6%	0.063	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153	163.8	70.8	-88.3	0	0	0	110.2	H74 L76 K89 Y145 V146 F221	H74-Y87 HydrophobicContact CB-CD1 3.93Å; H74-Y87 HydrophobicContact CB-CD2 4.32Å; H74-Y87 HydrophobicContact CB-CE1 3.35Å; H74-Y87 HydrophobicContact CB-CE2 3.8Å; H74-Y87 HydrophobicContact CB-CG 4.38Å; H74-Y87 WeakPolarHBondContact CB-OH 3.28Å; H74-Y87 AromaticContact CD2-CE2 3.92Å; H74-Y87 AromaticContact CG-CE2 4Å; H74-Y87 AromaticContact CG-CZ 3.7Å; H74-Y87 PolarHBondContact N-O 3.47Å; H74-Y87 PolarHBondContact O-N 2.99Å; L76-Y87 HydrophobicContact CB-CD1 4.18Å; L76-Y87 HydrophobicContact CD1-CD1 4.14Å; L76-Y87 HydrophobicContact CD1-CE1 4.25Å; Y87-K89 HydrophobicContact CE2-CB 4.25Å; Y87-Y145 HydrophobicContact CD2-CD2 4.39Å; Y87-Y145 HydrophobicContact CD2-CG 4.2Å; Y87-Y145 HydrophobicContact CE2-CD1 4.42Å; Y87-Y145 AromaticContact CE2-CD2 3.81Å; Y87-Y145 HydrophobicContact CE2-CD2 3.81Å; Y87-Y145 HydrophobicContact CE2-CE2 4.2Å; Y87-Y145 AromaticContact CE2-CG 3.94Å; Y87-Y145 HydrophobicContact CE2-CG 3.94Å; Y87-V146 CarbonylContact C-O 3.53Å; Y87-V146 VanDerWaalsContact CA-O 3.31Å; Y87-V146 WeakPolarHBondContact CA-O 3.28Å; Y87-V146 WeakPolarHBondContact CB-O 3.49Å; Y87-F221 HydrophobicContact CE1-CD2 4.46Å; Y87-F221 HydrophobicContact CE1-CE1 4.38Å; Y87-F221 AromaticContact CE1-CE2 3.91Å; Y87-F221 HydrophobicContact CE1-CE2 3.91Å; Y87-F221 AromaticContact CE1-CZ 3.84Å; Y87-F221 HydrophobicContact CE1-CZ 3.84Å; Y87-F221 HydrophobicContact CE2-CZ 4.16Å; Y87-F221 AromaticContact CZ-CE2 3.79Å; Y87-F221 AromaticContact CZ-CZ 3.51Å; Y87-F221 WeakPolarHBondContact OH-CE2 3.38Å; Y87-F221 WeakPolarHBondContact OH-CZ 3.1Å
88	L	98.9	Very high	95	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.6	171.4	-62.3	178.5	0	0	0	108.9	W59 M60 I63 S64 V71 Q73 V122 Y145 V146	W59-L88 HydrophobicContact CH2-CD1 3.86Å; W59-L88 HydrophobicContact CZ3-CD1 4.04Å; M60-L88 HydrophobicContact CB-CD2 4.23Å; M60-L88 HydrophobicContact CE-CD2 4.07Å; M60-L88 HydrophobicContact CE-CG 3.94Å; M60-L88 HydrophobicContact CG-CD1 4.36Å; M60-L88 HydrophobicContact CG-CG 4.5Å; I63-L88 HydrophobicContact CG2-CD1 3.82Å; S64-L88 WeakPolarHBondContact OG-CD2 3.34Å; V71-L88 HydrophobicContact CG1-CB 4.49Å; V71-L88 HydrophobicContact CG1-CD2 4.17Å; Q73-L88 HydrophobicContact CB-CD2 4.09Å; Q73-L88 HydrophobicContact CG-CD2 4.29Å; L88-V122 HydrophobicContact CD1-CG1 4.09Å; L88-V122 HydrophobicContact CD1-CG2 4.22Å; L88-Y145 WeakPolarHBondContact O-CA 3.35Å; L88-V146 PolarHBondContact N-O 3.42Å; L88-V146 PolarHBondContact O-N 3.32Å
89	K	98.6	Very high	95	Very high	44 Å²	44	53.2 Å²	53.2	19%	0.191	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.8	165.8	165.5	171.1	-177.2	149.9	0	108.4	V71 T72 Y87 S91 D143 F144 Y145	V71-K89 WeakPolarHBondContact CA-O 3.23Å; T72-K89 PolarHBondContact N-O 2.89Å; T72-K89 PolarHBondContact O-N 3.4Å; Y87-K89 HydrophobicContact CE2-CB 4.25Å; K89-S91 VanDerWaalsContact CE-CB 3.41Å; K89-D143 WeakPolarHBondContact CE-OD2 3.2Å; K89-D143 IonicContact NZ-OD2 2.61Å; K89-D143 PolarHBondContact NZ-OD2 3.23Å; K89-F144 WeakPolarHBondContact CA-O 3.4Å; K89-Y145 HydrophobicContact CB-CD1 4.03Å; K89-Y145 HydrophobicContact CB-CE1 3.96Å; K89-Y145 HydrophobicContact CD-CD1 4.44Å; K89-Y145 HydrophobicContact CD-CE1 3.54Å; K89-Y145 HydrophobicContact CG-CD1 4Å; K89-Y145 HydrophobicContact CG-CE1 3.55Å; K89-Y145 PolarHBondContact NZ-OH 3.26Å
90	I	98.6	Very high	95	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.9	169.2	-45.1	176.1	0	0	0	108.5	V70 V71 V122 I125 L126 L139 F144	V70-I90 CarbonylContact O-C 3.58Å; V70-I90 VanDerWaalsContact O-CA 3.29Å; V70-I90 WeakPolarHBondContact O-CA 3.44Å; V71-I90 HydrophobicContact CG2-CG1 4.49Å; I90-V122 HydrophobicContact CD1-CB 4.34Å; I90-V122 HydrophobicContact CD1-CG1 4.14Å; I90-V122 HydrophobicContact CD1-CG2 4.13Å; I90-I125 HydrophobicContact CD1-CB 4.34Å; I90-I125 HydrophobicContact CD1-CG2 4.21Å; I90-I125 HydrophobicContact CG2-CG2 3.95Å; I90-L126 HydrophobicContact CG2-CD2 3.94Å; I90-L139 HydrophobicContact CG2-CD2 4.14Å; I90-F144 HydrophobicContact CB-CB 4.23Å; I90-F144 HydrophobicContact CB-CD2 4.46Å; I90-F144 PolarHBondContact N-O 2.94Å; I90-F144 PolarHBondContact O-N 3.34Å
91	S	96.6	Very high	95	Very high	22 Å²	22	48 Å²	48	15%	0.154	29%	0.286	C	S	.	.			trans	-151.7	123.7	-172.1	-174.4	0	0	0	0	111.1	V70 K89 K98 D143	V70-S91 VanDerWaalsContact CA-O 3.32Å; V70-S91 WeakPolarHBondContact CA-O 3.32Å; V70-S91 PolarHBondContact O-N 3.27Å; K89-S91 VanDerWaalsContact CE-CB 3.41Å; S91-K98 PolarHBondContact OG-NZ 2.94Å; S91-D143 WeakPolarHBondContact CB-OD1 3.48Å; S91-D143 VanDerWaalsContact OG-CG 3.28Å; S91-D143 PolarHBondContact OG-OD1 3.41Å; S91-D143 PolarHBondContact OG-OD2 3.11Å
92	Q	92.3	Very high	95.1	Very high	37 Å²	37	44.4 Å²	44.4	17%	0.173	27%	0.269	C	S	.	.			trans	-75.7	134	163.7	-77.3	-178.3	-29.5	0	0	110.4	V70 S94 K98 L139	V70-Q92 HydrophobicContact CG1-CG 3.87Å; Q92-S94 PolarHBondContact O-N 3.2Å; Q92-K98 PolarHBondContact O-NZ 2.68Å; Q92-L139 HydrophobicContact CB-CB 4.47Å; Q92-L139 HydrophobicContact CG-CB 4.02Å; Q92-L139 HydrophobicContact CG-CD1 4.4Å
93	P	86.4	Confident	95.1	Very high	115 Å²	115	40.6 Å²	40.6	75%	0.747	25%	0.246	S	C	*	.			trans	-52.5	130.8	172.9	-27.1	34.7	0	0	0	111.7
94	S	85.5	Confident	95.1	Very high	60 Å²	60	38.7 Å²	38.7	42%	0.42	24%	0.237	S	C	.	.			trans	-144.1	147.4	-179.7	-178.9	0	0	0	0	109.7	Q92 N96	Q92-S94 PolarHBondContact O-N 3.2Å; S94-N96 PolarHBondContact OG-N 3.25Å
95	G	82	Confident	95.1	Very high	87 Å²	87	36.9 Å²	36.9	90%	0.897	23%	0.225	S	C	*	.	S	Bend	trans	-77.4	-8.2	172.6	0	0	0	0	0	113.8
96	N	85.3	Confident	95.1	Very high	118 Å²	118	36.9 Å²	36.9	63%	0.631	23%	0.225	S	C	*	.	S	Bend	trans	-110.1	148.5	-179.3	-65.2	-43.8	0	0	0	111.3	S94 K98	S94-N96 PolarHBondContact OG-N 3.25Å; N96-K98 PolarHBondContact O-N 3.31Å
97	P	89.6	Confident	95.1	Very high	128 Å²	128	33.5 Å²	33.5	83%	0.831	21%	0.212	S	C	*	.			trans	-56	135.5	167.5	-22.6	33.5	0	0	0	111.1
98	K	95.6	Very high	95.1	Very high	22 Å²	22	33 Å²	33	10%	0.096	21%	0.21	C	C	.	.			trans	-107.3	150.7	-179.8	-64.7	178.3	72.4	-164.9	0	110	S91 Q92 N96 L139 R140 N141 L142 D143	S91-K98 PolarHBondContact OG-NZ 2.94Å; Q92-K98 PolarHBondContact O-NZ 2.68Å; N96-K98 PolarHBondContact O-N 3.31Å; K98-L139 WeakPolarHBondContact CE-O 3.44Å; K98-L139 PolarHBondContact NZ-O 3.48Å; K98-R140 WeakPolarHBondContact CE-O 3.29Å; K98-N141 WeakPolarHBondContact CA-O 3.3Å; K98-N141 WeakPolarHBondContact CB-O 3.23Å; K98-L142 VanDerWaalsContact CE-C 3.47Å; K98-L142 WeakPolarHBondContact CE-O 3.37Å; K98-L142 PolarHBondContact NZ-O 3.26Å; K98-D143 VanDerWaalsContact CD-OD1 3.27Å; K98-D143 WeakPolarHBondContact CD-OD1 3.46Å; K98-D143 WeakPolarHBondContact CE-OD1 3.46Å; K98-D143 IonicContact NZ-OD1 3.1Å; K98-D143 PolarHBondContact NZ-OD1 3.4Å
99	K	98.1	Very high	95.1	Very high	46 Å²	46	33 Å²	33	20%	0.2	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	160	171.4	-63.2	-69.2	179.3	-172.7	0	111.1	N141 L142 D143 D227 D228 L230 W349	K99-N141 PolarHBondContact N-O 3.27Å; K99-L142 HydrophobicContact CB-CD2 4.06Å; K99-L142 CarbonylContact O-C 3.37Å; K99-L142 VanDerWaalsContact O-CA 3.28Å; K99-L142 WeakPolarHBondContact O-CA 3.42Å; K99-D143 PolarHBondContact O-N 3.44Å; K99-D227 PolarHBondContact NZ-O 2.72Å; K99-D228 CarbonylContact C-O 3.53Å; K99-D228 WeakPolarHBondContact CA-O 3.22Å; K99-D228 WeakPolarHBondContact CB-O 3.41Å; K99-D228 HydrophobicContact CD-CB 4.4Å; K99-D228 VanDerWaalsContact CD-O 3.32Å; K99-D228 WeakPolarHBondContact CD-O 3.5Å; K99-D228 IonicContact NZ-OD1 3.53Å; K99-D228 PolarHBondContact NZ-OD1 2.66Å; K99-L230 HydrophobicContact CB-CD1 3.53Å; K99-L230 HydrophobicContact CB-CG 3.73Å; K99-L230 HydrophobicContact CD-CD2 4.47Å; K99-L230 HydrophobicContact CD-CG 4.34Å; K99-L230 HydrophobicContact CG-CD1 3.8Å; K99-L230 HydrophobicContact CG-CD2 4.45Å; K99-L230 HydrophobicContact CG-CG 4.01Å; K99-W349 HydrophobicContact CB-CH2 3.86Å; K99-W349 HydrophobicContact CG-CH2 3.84Å; K99-W349 HydrophobicContact CG-CZ2 4.22Å
100	I	98.8	Very high	95.1	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.6	-170.2	-59.5	164.7	0	0	0	109.5	D143 Y145 K225 D228 I229 L230	I100-D143 WeakPolarHBondContact CA-O 3.44Å; I100-Y145 HydrophobicContact CD1-CD2 4.37Å; I100-Y145 HydrophobicContact CD1-CE2 3.68Å; I100-Y145 HydrophobicContact CG1-CE1 4.41Å; I100-Y145 HydrophobicContact CG1-CE2 4.14Å; I100-Y145 HydrophobicContact CG2-CD1 4.13Å; I100-Y145 HydrophobicContact CG2-CD2 3.68Å; I100-Y145 HydrophobicContact CG2-CE1 4.45Å; I100-Y145 HydrophobicContact CG2-CE2 4.04Å; I100-Y145 HydrophobicContact CG2-CG 3.73Å; I100-K225 HydrophobicContact CD1-CB 4.15Å; I100-K225 HydrophobicContact CD1-CD 4.41Å; I100-K225 HydrophobicContact CD1-CG 4.41Å; I100-D228 HydrophobicContact CD1-CB 3.89Å; I100-D228 HydrophobicContact CG1-CB 4.33Å; I100-D228 PolarHBondContact N-O 3.13Å; I100-I229 HydrophobicContact CB-CG1 3.87Å; I100-I229 HydrophobicContact CD1-CG1 4.34Å; I100-I229 HydrophobicContact CG2-CG1 3.89Å; I100-I229 CarbonylContact O-C 2.97Å; I100-I229 WeakPolarHBondContact O-CA 3.33Å; I100-L230 PolarHBondContact O-N 3.04Å
101	I	98.9	Very high	95.2	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.9	161.3	-54.4	-62.8	0	0	0	106.2	L142 D143 F144 Y145 L230 C231 L233 L341 V344	I101-L142 HydrophobicContact CD1-CD1 4.19Å; I101-L142 HydrophobicContact CD1-CD2 4.12Å; I101-L142 HydrophobicContact CG1-CB 4.37Å; I101-L142 HydrophobicContact CG1-CD1 4.06Å; I101-L142 HydrophobicContact CG1-CD2 4.18Å; I101-L142 HydrophobicContact CG1-CG 4.44Å; I101-D143 PolarHBondContact N-O 2.87Å; I101-F144 HydrophobicContact CB-CD1 3.75Å; I101-F144 HydrophobicContact CB-CE1 4.16Å; I101-F144 HydrophobicContact CG1-CD1 4.01Å; I101-F144 HydrophobicContact CG1-CE1 3.92Å; I101-F144 HydrophobicContact CG2-CD1 4.11Å; I101-F144 HydrophobicContact CG2-CE1 4.46Å; I101-Y145 PolarHBondContact O-N 3.41Å; I101-L230 HydrophobicContact CD1-CB 4.49Å; I101-C231 HydrophobicContact CD1-CB 3.64Å; I101-C231 HydrophobicContact CG2-CB 4.4Å; I101-L233 HydrophobicContact CG2-CD1 4.28Å; I101-L341 HydrophobicContact CB-CD2 4.32Å; I101-L341 HydrophobicContact CD1-CD2 3.8Å; I101-L341 HydrophobicContact CG1-CD2 3.75Å; I101-L341 HydrophobicContact CG2-CD2 3.72Å; I101-V344 HydrophobicContact CD1-CG1 4.11Å
102	W	98.9	Very high	95.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	131.8	172.7	176.5	-89.5	0	0	0	109.6	L76 D104 L147 V218 F221 V222 I229 C231 F232 L233	L76-W102 HydrophobicContact CD2-CH2 4.05Å; W102-D104 HydrophobicContact CZ2-CB 4.28Å; W102-D104 PolarHBondContact NE1-OD2 3.47Å; W102-L147 HydrophobicContact CH2-CB 4.24Å; W102-L147 HydrophobicContact CH2-CD2 4.32Å; W102-L147 HydrophobicContact CZ2-CB 4.14Å; W102-L147 HydrophobicContact CZ2-CD2 4.03Å; W102-V218 HydrophobicContact CZ2-CG1 3.87Å; W102-V218 HydrophobicContact CZ2-CG2 4.23Å; W102-F221 HydrophobicContact CE3-CD1 4.19Å; W102-F221 AromaticContact CE3-CE1 3.87Å; W102-F221 HydrophobicContact CE3-CE1 3.87Å; W102-F221 HydrophobicContact CH2-CD1 4.15Å; W102-F221 HydrophobicContact CH2-CE1 4.41Å; W102-F221 AromaticContact CZ3-CD1 3.56Å; W102-F221 HydrophobicContact CZ3-CD1 3.56Å; W102-F221 AromaticContact CZ3-CE1 3.42Å; W102-F221 HydrophobicContact CZ3-CE1 3.42Å; W102-F221 VanDerWaalsContact CZ3-CE1 3.42Å; W102-V222 HydrophobicContact CD2-CG2 3.81Å; W102-V222 HydrophobicContact CE3-CG2 4.01Å; W102-V222 HydrophobicContact CG-CG2 4.25Å; W102-V222 HydrophobicContact CH2-CG2 4.47Å; W102-V222 HydrophobicContact CZ2-CG2 4.3Å; W102-V222 HydrophobicContact CZ3-CG2 4.34Å; W102-I229 HydrophobicContact CB-CG2 4.21Å; W102-C231 PolarHBondContact N-O 3.23Å; W102-F232 HydrophobicContact CB-CD2 4.21Å; W102-F232 AromaticContact CD1-CD2 3.25Å; W102-F232 AromaticContact CD1-CE2 3.14Å; W102-F232 AromaticContact CD1-CG 3.98Å; W102-F232 AromaticContact CD1-CZ 3.79Å; W102-F232 AromaticContact CG-CD2 3.89Å; W102-F232 HydrophobicContact CG-CD2 3.89Å; W102-F232 HydrophobicContact CG-CE2 4.01Å; W102-F232 AromaticContact NE1-CD2 3.96Å; W102-F232 AromaticContact NE1-CE2 3.33Å; W102-F232 VanDerWaalsContact NE1-CE2 3.33Å; W102-F232 AromaticContact NE1-CZ 3.75Å; W102-L233 PolarHBondContact O-N 3.47Å
103	M	98.9	Very high	95.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.9	171.6	-178.3	-179.2	-71.7	0	0	110	F117 F121 Y145 V146 L147 L233 M235 V337	M103-F117 HydrophobicContact CE-CE1 3.99Å; M103-F117 HydrophobicContact SD-CE1 3.91Å; M103-F121 HydrophobicContact CE-CD1 4.32Å; M103-F121 HydrophobicContact CE-CD2 3.92Å; M103-F121 HydrophobicContact CE-CE1 4.42Å; M103-F121 HydrophobicContact CE-CE2 4.03Å; M103-F121 HydrophobicContact CE-CG 4.08Å; M103-F121 HydrophobicContact CE-CZ 4.28Å; M103-F121 HydrophobicContact SD-CB 4.3Å; M103-F121 HydrophobicContact SD-CD1 4.04Å; M103-F121 HydrophobicContact SD-CD2 4.43Å; M103-F121 HydrophobicContact SD-CG 3.99Å; M103-Y145 PolarHBondContact N-O 3.39Å; M103-V146 HydrophobicContact CB-CG2 4.49Å; M103-V146 CarbonylContact O-C 3.51Å; M103-V146 VanDerWaalsContact O-CA 3.31Å; M103-V146 WeakPolarHBondContact O-CA 3.3Å; M103-L147 PolarHBondContact O-N 2.9Å; M103-L233 CarbonylContact C-O 3.48Å; M103-L233 VanDerWaalsContact CA-O 3.25Å; M103-L233 WeakPolarHBondContact CA-O 3.31Å; M103-L233 HydrophobicContact CB-CB 4.39Å; M103-L233 HydrophobicContact CE-CB 4.49Å; M103-L233 HydrophobicContact CE-CD1 3.72Å; M103-L233 HydrophobicContact CG-CB 4.35Å; M103-M235 HydrophobicContact CG-CG 4.21Å; M103-V337 HydrophobicContact CE-CG1 3.84Å; M103-V337 HydrophobicContact CE-CG2 4.29Å
104	D	98.9	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.9	169.4	63.8	77.6	0	0	0	112.3	W102 L147 L150 F232 L233 T234 M235	W102-D104 HydrophobicContact CZ2-CB 4.28Å; W102-D104 PolarHBondContact NE1-OD2 3.47Å; D104-L147 WeakPolarHBondContact CA-O 3.43Å; D104-L147 HydrophobicContact CB-CB 4.11Å; D104-L147 HydrophobicContact CB-CD2 4.29Å; D104-L147 HydrophobicContact CB-CG 4.49Å; D104-L150 HydrophobicContact CB-CD1 4.35Å; D104-F232 WeakPolarHBondContact OD2-CZ 3Å; D104-L233 PolarHBondContact N-O 3.32Å; D104-T234 WeakPolarHBondContact O-CA 3.3Å; D104-T234 VanDerWaalsContact OD1-CB 3.3Å; D104-T234 WeakPolarHBondContact OD1-CB 3.38Å; D104-T234 PolarHBondContact OD1-OG1 3.39Å; D104-M235 PolarHBondContact O-N 2.95Å
105	C	98.9	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.4	177.9	-66	0	0	0	0	110.4	I107 A114 C118 L147 P148 V149 L150 M235	C105-I107 VanDerWaalsContact C-N 3.33Å; C105-I107 PolarHBondContact O-N 3.46Å; C105-A114 HydrophobicContact CB-CB 4.27Å; C105-A114 WeakPolarHBondContact CB-O 3.43Å; C105-A114 PolarHBondContact SG-O 3.48Å; C105-C118 HydrophobicContact CB-CB 3.76Å; C105-C118 WeakPolarHBondContact CB-SG 3.5Å; C105-C118 WeakPolarHBondContact SG-CB 3.3Å; C105-C118 CovalentContact SG-SG 2.02Å; C105-C118 PolarHBondContact SG-SG 3.03Å; C105-L147 PolarHBondContact N-O 3.48Å; C105-P148 VanDerWaalsContact CB-O 3.24Å; C105-P148 WeakPolarHBondContact CB-O 3.3Å; C105-V149 WeakPolarHBondContact O-CA 3.31Å; C105-L150 PolarHBondContact O-N 3.21Å; C105-M235 HydrophobicContact CB-CB 4.35Å; C105-M235 VanDerWaalsContact SG-CB 3.51Å; C105-M235 WeakPolarHBondContact SG-CG 3.41Å
106	G	98.9	Very high	97.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.			trans	66.4	31.2	170.3	0	0	0	0	0	114.1	H108 N151	G106-H108 VanDerWaalsContact C-N 3.27Å; G106-N151 WeakPolarHBondContact O-CB 3.48Å; G106-N151 PolarHBondContact O-N 3.39Å
107	I	98.9	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-66.7	-30.8	170.7	-174.7	169.2	0	0	0	111.8	C105 L150 N151 L182 N183 F186 H236	C105-I107 VanDerWaalsContact C-N 3.33Å; C105-I107 PolarHBondContact O-N 3.46Å; I107-L150 HydrophobicContact CB-CB 4.38Å; I107-L150 HydrophobicContact CB-CD1 4.17Å; I107-L150 HydrophobicContact CD1-CD1 4.12Å; I107-L150 HydrophobicContact CG1-CD1 4.15Å; I107-L150 HydrophobicContact CG1-CD2 4.14Å; I107-N151 WeakPolarHBondContact O-CB 3.48Å; I107-N151 PolarHBondContact O-ND2 3.34Å; I107-L182 HydrophobicContact CD1-CB 4.02Å; I107-L182 HydrophobicContact CG1-CB 3.56Å; I107-L182 HydrophobicContact CG1-CD1 4.38Å; I107-N183 HydrophobicContact CD1-CB 3.91Å; I107-N183 HydrophobicContact CG1-CB 4.45Å; I107-F186 HydrophobicContact CD1-CE2 3.94Å; I107-H236 WeakPolarHBondContact CG2-CE1 3.33Å; I107-H236 WeakPolarHBondContact CG2-NE2 3.24Å
108	H	98.9	Very high	98.7	Very high	5 Å²	5	8 Å²	8	2%	0.023	4%	0.035	C	C	.	.	S	Bend	trans	-104.4	128.3	164.8	-53.3	138.8	0	0	0	109.9	G106 R110 E111 R166 D181 N183 H236	G106-H108 VanDerWaalsContact C-N 3.27Å; H108-R110 PolarHBondContact O-N 3.49Å; H108-E111 VanDerWaalsContact CB-CD 3.48Å; H108-E111 HydrophobicContact CB-CG 3.99Å; H108-E111 VanDerWaalsContact CB-OE1 3.27Å; H108-E111 WeakPolarHBondContact CB-OE1 3.23Å; H108-E111 IonicContact CE1-OE1 3.43Å; H108-E111 IonicContact CG-OE1 3.64Å; H108-E111 VanDerWaalsContact CG-OE1 3.31Å; H108-E111 IonicContact CG-OE2 3.35Å; H108-E111 VanDerWaalsContact ND1-CD 3.3Å; H108-E111 IonicContact ND1-OE1 3.3Å; H108-E111 PolarHBondContact ND1-OE1 3.49Å; H108-E111 IonicContact ND1-OE2 3.07Å; H108-E111 PolarHBondContact ND1-OE2 3.18Å; H108-E111 PolarHBondContact O-N 3.34Å; H108-R166 WeakPolarHBondContact CA-O 3.46Å; H108-R166 HydrophobicContact CB-CG 4.07Å; H108-R166 VanDerWaalsContact CD2-CZ 3.47Å; H108-R166 PolarHBondContact CE1-NH1 3.09Å; H108-R166 PolarHBondContact CE1-NH2 2.88Å; H108-R166 VanDerWaalsContact CG-NH1 3.26Å; H108-R166 PolarHBondContact ND1-NH1 3.4Å; H108-R166 VanDerWaalsContact NE2-CZ 3.26Å; H108-R166 PolarHBondContact NE2-NH1 3.49Å; H108-R166 PolarHBondContact NE2-NH2 3.44Å; H108-D181 IonicContact CD2-OD1 3.8Å; H108-D181 IonicContact NE2-OD1 2.68Å; H108-D181 PolarHBondContact NE2-OD1 3.47Å; H108-N183 VanDerWaalsContact NE2-CB 3.27Å; H108-N183 WeakPolarHBondContact NE2-CB 3.3Å; H108-H236 AromaticContact CE1-CE1 3.19Å; H108-H236 PolarHBondContact CE1-CE1 2.93Å; H108-H236 AromaticContact CE1-ND1 3.21Å; H108-H236 PolarHBondContact CE1-ND1 3.34Å; H108-H236 AromaticContact ND1-CE1 3.54Å; H108-H236 AromaticContact ND1-ND1 3.15Å; H108-H236 PolarHBondContact ND1-ND1 3.06Å; H108-H236 VanDerWaalsContact ND1-ND1 3.15Å; H108-H236 AromaticContact NE2-CE1 3.86Å
109	A	98.9	Very high	98.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-42.9	-166.8	0	0	0	0	0	114.7	E111 W112 G154 Y155 T158 W165 R166	A109-E111 PolarHBondContact O-N 3.17Å; A109-W112 VanDerWaalsContact O-CD1 3.29Å; A109-G154 VanDerWaalsContact CB-O 3.25Å; A109-G154 WeakPolarHBondContact CB-O 3.47Å; A109-Y155 WeakPolarHBondContact O-CD2 3.42Å; A109-T158 HydrophobicContact CB-CG2 3.63Å; A109-W165 WeakPolarHBondContact CB-O 3.28Å; A109-R166 PolarHBondContact N-O 3.1Å
110	R	98.9	Very high	98.9	Very high	42 Å²	42	5.2 Å²	5.2	16%	0.158	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.5	-177.7	65.9	-162.3	-172.9	-168.9	-0.1	115.8	H108 W112 T158 R163 L164 W165 F319	H108-R110 PolarHBondContact O-N 3.49Å; R110-W112 PolarHBondContact O-N 2.99Å; R110-T158 HydrophobicContact CB-CG2 4.44Å; R110-R163 WeakPolarHBondContact CB-O 3.38Å; R110-R163 PolarHBondContact O-NH1 3.09Å; R110-L164 WeakPolarHBondContact CD-O 3.43Å; R110-L164 PolarHBondContact NH1-O 2.54Å; R110-W165 VanDerWaalsContact CB-O 3.24Å; R110-W165 WeakPolarHBondContact CB-O 3.47Å; R110-W165 PolarHBondContact N-O 3.01Å; R110-F319 HydrophobicContact CB-CB 4.43Å; R110-F319 HydrophobicContact CG-CB 4.23Å; R110-F319 HydrophobicContact CG-CD1 4Å; R110-F319 HydrophobicContact CG-CD2 4.33Å; R110-F319 HydrophobicContact CG-CE1 4.46Å; R110-F319 HydrophobicContact CG-CG 3.93Å
111	E	98.9	Very high	98.9	Very high	4 Å²	4	5 Å²	5	2%	0.019	2%	0.022	C	C	.	.			trans	-85.3	58.5	-172.6	-66.3	176.7	-159.6	0	0	110.7	H108 A109 I113 A114 P115 R166 H236 S237 F319	H108-E111 VanDerWaalsContact CB-CD 3.48Å; H108-E111 HydrophobicContact CB-CG 3.99Å; H108-E111 VanDerWaalsContact CB-OE1 3.27Å; H108-E111 WeakPolarHBondContact CB-OE1 3.23Å; H108-E111 IonicContact CE1-OE1 3.43Å; H108-E111 IonicContact CG-OE1 3.64Å; H108-E111 VanDerWaalsContact CG-OE1 3.31Å; H108-E111 IonicContact CG-OE2 3.35Å; H108-E111 VanDerWaalsContact ND1-CD 3.3Å; H108-E111 IonicContact ND1-OE1 3.3Å; H108-E111 PolarHBondContact ND1-OE1 3.49Å; H108-E111 IonicContact ND1-OE2 3.07Å; H108-E111 PolarHBondContact ND1-OE2 3.18Å; H108-E111 PolarHBondContact O-N 3.34Å; A109-E111 PolarHBondContact O-N 3.17Å; E111-I113 PolarHBondContact O-N 3.49Å; E111-A114 WeakPolarHBondContact O-CB 3.42Å; E111-A114 PolarHBondContact O-N 3.44Å; E111-P115 WeakPolarHBondContact O-CD 3.49Å; E111-R166 IonicContact OE1-NH1 3.72Å; E111-H236 WeakPolarHBondContact OE2-CA 3.2Å; E111-H236 VanDerWaalsContact OE2-CB 3.3Å; E111-H236 WeakPolarHBondContact OE2-CB 3.32Å; E111-H236 IonicContact OE2-CG 2.74Å; E111-H236 IonicContact OE2-ND1 2.68Å; E111-H236 PolarHBondContact OE2-ND1 2.64Å; E111-H236 VanDerWaalsContact OE2-ND1 3.17Å; E111-S237 WeakPolarHBondContact CA-OG 3.33Å; E111-S237 VanDerWaalsContact CB-OG 3.25Å; E111-S237 WeakPolarHBondContact CB-OG 3.24Å; E111-S237 WeakPolarHBondContact CG-O 3.28Å; E111-S237 WeakPolarHBondContact CG-OG 3.26Å; E111-S237 VanDerWaalsContact OE1-O 3.08Å; E111-S237 PolarHBondContact OE2-N 2.88Å; E111-F319 HydrophobicContact CG-CD1 3.85Å; E111-F319 HydrophobicContact CG-CE1 3.97Å
112	W	98.9	Very high	98.9	Very high	27 Å²	27	4.9 Å²	4.9	10%	0.102	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.5	-167.8	-74.3	6.1	0	0	0	115.3	Y50 A109 R110 A114 P115 A116 Y155 T158 W159 R163	Y50-W112 HydrophobicContact CD1-CB 3.65Å; Y50-W112 HydrophobicContact CD1-CE3 4.38Å; Y50-W112 AromaticContact CD2-CE3 3.74Å; Y50-W112 HydrophobicContact CD2-CE3 3.74Å; Y50-W112 HydrophobicContact CD2-CZ3 4.38Å; Y50-W112 HydrophobicContact CE1-CB 3.7Å; Y50-W112 HydrophobicContact CE2-CE3 4.41Å; Y50-W112 HydrophobicContact CG-CB 4.17Å; Y50-W112 HydrophobicContact CG-CD2 4.47Å; Y50-W112 AromaticContact CG-CE3 3.71Å; Y50-W112 HydrophobicContact CG-CE3 3.71Å; A109-W112 VanDerWaalsContact O-CD1 3.29Å; R110-W112 PolarHBondContact O-N 2.99Å; W112-A114 VanDerWaalsContact C-N 3.27Å; W112-A114 PolarHBondContact O-N 3.47Å; W112-P115 WeakPolarHBondContact O-CD 3.44Å; W112-A116 PolarHBondContact O-N 3.38Å; W112-Y155 AromaticContact CD1-CD2 3.94Å; W112-Y155 AromaticContact CD1-CE2 3.36Å; W112-Y155 HydrophobicContact CG-CE2 4.04Å; W112-Y155 AromaticContact NE1-CE2 3.63Å; W112-T158 PolarHBondContact NE1-OG1 3.43Å; W112-W159 HydrophobicContact CD2-CZ2 4.39Å; W112-W159 AromaticContact CE2-CE2 3.92Å; W112-W159 AromaticContact CE2-NE1 3.66Å; W112-W159 HydrophobicContact CE3-CZ2 4.13Å; W112-W159 AromaticContact CH2-CD2 3.66Å; W112-W159 HydrophobicContact CH2-CD2 3.66Å; W112-W159 AromaticContact CH2-CE2 3.58Å; W112-W159 AromaticContact CH2-CE3 3.89Å; W112-W159 HydrophobicContact CH2-CE3 3.89Å; W112-W159 HydrophobicContact CH2-CG 4.27Å; W112-W159 AromaticContact CH2-CH2 3.98Å; W112-W159 HydrophobicContact CH2-CH2 3.98Å; W112-W159 AromaticContact CH2-CZ2 3.76Å; W112-W159 HydrophobicContact CH2-CZ2 3.76Å; W112-W159 HydrophobicContact CH2-CZ3 4.04Å; W112-W159 AromaticContact CZ2-CD1 3.72Å; W112-W159 AromaticContact CZ2-CD2 3.65Å; W112-W159 HydrophobicContact CZ2-CD2 3.65Å; W112-W159 AromaticContact CZ2-CE2 3.48Å; W112-W159 VanDerWaalsContact CZ2-CE2 3.48Å; W112-W159 HydrophobicContact CZ2-CE3 4.33Å; W112-W159 AromaticContact CZ2-CG 3.81Å; W112-W159 HydrophobicContact CZ2-CG 3.81Å; W112-W159 HydrophobicContact CZ2-CZ2 4.04Å; W112-W159 AromaticContact CZ2-NE1 3.51Å; W112-W159 AromaticContact CZ3-CH2 3.95Å; W112-W159 HydrophobicContact CZ3-CH2 3.95Å; W112-W159 AromaticContact CZ3-CZ2 3.81Å; W112-W159 HydrophobicContact CZ3-CZ2 3.81Å; W112-W159 HydrophobicContact CZ3-CZ3 4.36Å; W112-W159 AromaticContact NE1-NE1 3.96Å; W112-R163 VanDerWaalsContact CE2-CZ 3.48Å; W112-R163 VanDerWaalsContact CE3-NH2 3.32Å; W112-R163 VanDerWaalsContact CG-NH2 3.33Å; W112-R163 VanDerWaalsContact CH2-CD 3.47Å; W112-R163 VanDerWaalsContact CH2-NE 3.3Å
113	I	98.9	Very high	98.9	Very high	3 Å²	3	6.3 Å²	6.3	2%	0.015	3%	0.028	C	C	.	.	H	α-helix	trans	-67.5	-25.7	176.1	-169.8	59	0	0	0	112.9	Y50 E111 A116 F117 S237 L311 L321 I326 T329	Y50-I113 HydrophobicContact CE1-CB 4.48Å; E111-I113 PolarHBondContact O-N 3.49Å; I113-A116 HydrophobicContact CD1-CB 4.38Å; I113-A116 PolarHBondContact O-N 2.93Å; I113-F117 WeakPolarHBondContact O-CB 3.14Å; I113-F117 PolarHBondContact O-N 3.49Å; I113-S237 VanDerWaalsContact CG2-CB 3.4Å; I113-S237 WeakPolarHBondContact CG2-OG 3.47Å; I113-L311 HydrophobicContact CG1-CD1 4.26Å; I113-L311 HydrophobicContact CG2-CB 4.11Å; I113-L311 HydrophobicContact CG2-CD1 4.37Å; I113-L321 HydrophobicContact CB-CD2 4.22Å; I113-L321 HydrophobicContact CD1-CD2 4.16Å; I113-L321 HydrophobicContact CG1-CD2 3.91Å; I113-I326 HydrophobicContact CD1-CB 4.26Å; I113-I326 HydrophobicContact CD1-CG1 4Å; I113-I326 HydrophobicContact CD1-CG2 4.26Å; I113-T329 HydrophobicContact CD1-CG2 4.1Å; I113-T329 HydrophobicContact CG1-CG2 3.73Å
114	A	98.9	Very high	98.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-67.9	-53.9	177	0	0	0	0	0	111.9	C105 E111 W112 A116 F117 C118 M235	C105-A114 HydrophobicContact CB-CB 4.27Å; C105-A114 WeakPolarHBondContact CB-O 3.43Å; C105-A114 PolarHBondContact SG-O 3.48Å; E111-A114 WeakPolarHBondContact O-CB 3.42Å; E111-A114 PolarHBondContact O-N 3.44Å; W112-A114 VanDerWaalsContact C-N 3.27Å; W112-A114 PolarHBondContact O-N 3.47Å; A114-A116 VanDerWaalsContact C-N 3.27Å; A114-A116 PolarHBondContact O-N 2.83Å; A114-F117 PolarHBondContact O-N 3.33Å; A114-F117 VanDerWaalsContact O-N 3.11Å; A114-C118 PolarHBondContact O-N 3.37Å; A114-M235 HydrophobicContact CB-CB 4.06Å; A114-M235 VanDerWaalsContact CB-O 3.25Å; A114-M235 WeakPolarHBondContact CB-O 3.34Å
115	P	98.9	Very high	98.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-55	-39.4	170.9	-31	37.7	0	0	0	114.2	E111 W112 F117 C118 Q119 P148 V149 Y155	E111-P115 WeakPolarHBondContact O-CD 3.49Å; W112-P115 WeakPolarHBondContact O-CD 3.44Å; P115-F117 VanDerWaalsContact C-N 3.33Å; P115-F117 PolarHBondContact O-N 3.22Å; P115-C118 PolarHBondContact O-N 3.15Å; P115-Q119 WeakPolarHBondContact O-CG 3.49Å; P115-Q119 PolarHBondContact O-N 3.15Å; P115-Q119 PolarHBondContact O-NE2 3.49Å; P115-P148 WeakPolarHBondContact CA-O 3.29Å; P115-V149 HydrophobicContact CB-CG2 3.94Å; P115-V149 HydrophobicContact CG-CG2 4.1Å; P115-Y155 HydrophobicContact CB-CE2 4.46Å; P115-Y155 HydrophobicContact CG-CD2 4.41Å; P115-Y155 HydrophobicContact CG-CE2 3.99Å
116	A	98.9	Very high	98.7	Very high	9 Å²	9	8.3 Å²	8.3	7%	0.074	4%	0.037	C	C	.	.	H	α-helix	trans	-61.6	-42	176.3	0	0	0	0	0	111.5	Y50 W112 I113 A114 Q119 W120 I326	Y50-A116 HydrophobicContact CD1-CB 4.26Å; Y50-A116 HydrophobicContact CE1-CB 4.25Å; W112-A116 PolarHBondContact O-N 3.38Å; I113-A116 HydrophobicContact CD1-CB 4.38Å; I113-A116 PolarHBondContact O-N 2.93Å; A114-A116 VanDerWaalsContact C-N 3.27Å; A114-A116 PolarHBondContact O-N 2.83Å; A116-Q119 PolarHBondContact O-N 2.96Å; A116-W120 PolarHBondContact O-N 2.84Å; A116-I326 HydrophobicContact CB-CG2 4.15Å
117	F	98.9	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64	-43.8	174.9	173.9	-101.7	0	0	0	112.9	M103 I113 A114 P115 Q119 W120 F121 M235 L311 C330 T333 V337	M103-F117 HydrophobicContact CE-CE1 3.99Å; M103-F117 HydrophobicContact SD-CE1 3.91Å; I113-F117 WeakPolarHBondContact O-CB 3.14Å; I113-F117 PolarHBondContact O-N 3.49Å; A114-F117 PolarHBondContact O-N 3.33Å; A114-F117 VanDerWaalsContact O-N 3.11Å; P115-F117 VanDerWaalsContact C-N 3.33Å; P115-F117 PolarHBondContact O-N 3.22Å; F117-Q119 PolarHBondContact O-N 2.98Å; F117-W120 CarbonylContact O-C 3.58Å; F117-W120 WeakPolarHBondContact O-CB 3.4Å; F117-W120 PolarHBondContact O-N 3.45Å; F117-W120 VanDerWaalsContact O-N 3.11Å; F117-F121 HydrophobicContact CE1-CB 4.38Å; F117-F121 HydrophobicContact CZ-CB 4.23Å; F117-F121 HydrophobicContact CZ-CD2 4.4Å; F117-F121 WeakPolarHBondContact O-CB 3.33Å; F117-F121 PolarHBondContact O-N 3.43Å; F117-M235 HydrophobicContact CD1-CE 3.6Å; F117-M235 HydrophobicContact CD1-CG 3.95Å; F117-M235 HydrophobicContact CD1-SD 4.3Å; F117-M235 HydrophobicContact CE1-CE 3.56Å; F117-M235 HydrophobicContact CE1-CG 4.2Å; F117-M235 HydrophobicContact CE1-SD 4.08Å; F117-M235 HydrophobicContact CG-CE 4.45Å; F117-M235 HydrophobicContact CZ-CE 4.4Å; F117-L311 HydrophobicContact CB-CD1 3.93Å; F117-L311 HydrophobicContact CG-CD1 4.33Å; F117-C330 HydrophobicContact CD2-CB 4.22Å; F117-T333 HydrophobicContact CD1-CG2 4.23Å; F117-T333 HydrophobicContact CD2-CG2 3.73Å; F117-T333 HydrophobicContact CE1-CG2 3.93Å; F117-T333 HydrophobicContact CE2-CG2 3.39Å; F117-T333 HydrophobicContact CG-CG2 4.13Å; F117-T333 HydrophobicContact CZ-CG2 3.5Å; F117-T333 VanDerWaalsContact CZ-CG2 3.5Å; F117-V337 HydrophobicContact CE1-CG2 4.13Å; F117-V337 HydrophobicContact CZ-CB 4.4Å; F117-V337 HydrophobicContact CZ-CG2 3.74Å
118	C	98.9	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.8	-39.9	176.5	-93.9	0	0	0	0	111.8	C105 A114 P115 F121 V122 V146 P148	C105-C118 HydrophobicContact CB-CB 3.76Å; C105-C118 WeakPolarHBondContact CB-SG 3.5Å; C105-C118 WeakPolarHBondContact SG-CB 3.3Å; C105-C118 CovalentContact SG-SG 2.02Å; C105-C118 PolarHBondContact SG-SG 3.03Å; A114-C118 PolarHBondContact O-N 3.37Å; P115-C118 PolarHBondContact O-N 3.15Å; C118-F121 PolarHBondContact O-N 2.99Å; C118-V122 VanDerWaalsContact O-CG2 3.3Å; C118-V122 WeakPolarHBondContact O-CG2 3.32Å; C118-V122 PolarHBondContact O-N 3.02Å; C118-V122 VanDerWaalsContact O-N 3.15Å; C118-V146 HydrophobicContact CB-CG1 3.97Å; C118-P148 HydrophobicContact CB-CB 4.23Å
119	Q	98.9	Very high	98.2	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.019	7%	0.073	C	C	.	.	H	α-helix	trans	-66.4	-42.6	175.6	-64.6	162.8	60.8	0	0	111.7	Y45 Y47 W59 P115 A116 F117 V122 K123	Y45-Q119 PolarHBondContact OH-OE1 3.44Å; Y47-Q119 HydrophobicContact CD1-CB 4.14Å; Y47-Q119 HydrophobicContact CE1-CB 4.11Å; Y47-Q119 WeakPolarHBondContact CE1-O 3.47Å; W59-Q119 HydrophobicContact CD2-CG 4.33Å; W59-Q119 HydrophobicContact CE3-CG 3.99Å; W59-Q119 HydrophobicContact CH2-CB 3.97Å; W59-Q119 HydrophobicContact CH2-CG 3.72Å; W59-Q119 HydrophobicContact CZ2-CB 3.88Å; W59-Q119 HydrophobicContact CZ2-CG 4.02Å; W59-Q119 HydrophobicContact CZ3-CB 4.43Å; W59-Q119 HydrophobicContact CZ3-CG 3.7Å; P115-Q119 WeakPolarHBondContact O-CG 3.49Å; P115-Q119 PolarHBondContact O-N 3.15Å; P115-Q119 PolarHBondContact O-NE2 3.49Å; A116-Q119 PolarHBondContact O-N 2.96Å; F117-Q119 PolarHBondContact O-N 2.98Å; Q119-V122 PolarHBondContact O-N 3.13Å; Q119-K123 WeakPolarHBondContact O-CB 3.44Å; Q119-K123 PolarHBondContact O-N 2.85Å
120	W	98.9	Very high	98	Very high	6 Å²	6	21.7 Å²	21.7	2%	0.023	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-45	174.8	-169.9	-79.8	0	0	0	112.2	N48 A116 F117 V122 K123 E124 Q327 C330 E331	N48-W120 WeakPolarHBondContact OD1-CZ3 3.39Å; A116-W120 PolarHBondContact O-N 2.84Å; F117-W120 CarbonylContact O-C 3.58Å; F117-W120 WeakPolarHBondContact O-CB 3.4Å; F117-W120 PolarHBondContact O-N 3.45Å; F117-W120 VanDerWaalsContact O-N 3.11Å; W120-V122 VanDerWaalsContact C-N 3.34Å; W120-V122 PolarHBondContact O-N 3.46Å; W120-K123 WeakPolarHBondContact O-CB 3.47Å; W120-K123 PolarHBondContact O-N 3.12Å; W120-E124 HydrophobicContact CG-CG 4.36Å; W120-E124 WeakPolarHBondContact O-CG 3.36Å; W120-E124 PolarHBondContact O-N 2.65Å; W120-Q327 HydrophobicContact CH2-CB 3.97Å; W120-Q327 HydrophobicContact CH2-CG 3.61Å; W120-Q327 HydrophobicContact CZ2-CG 4.27Å; W120-Q327 HydrophobicContact CZ3-CB 4.1Å; W120-Q327 HydrophobicContact CZ3-CG 4.26Å; W120-C330 HydrophobicContact CB-CB 3.75Å; W120-C330 HydrophobicContact CD2-CB 3.42Å; W120-C330 VanDerWaalsContact CD2-CB 3.42Å; W120-C330 HydrophobicContact CE3-CB 3.91Å; W120-C330 HydrophobicContact CG-CB 3.31Å; W120-E331 HydrophobicContact CH2-CG 4.37Å; W120-E331 HydrophobicContact CZ2-CG 3.54Å
121	F	98.9	Very high	97.8	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-56.8	-49	176.8	175.9	-93.5	0	0	0	110.8	M103 F117 C118 K123 E124 I125 F144 V146 M334 V337 L341	M103-F121 HydrophobicContact CE-CD1 4.32Å; M103-F121 HydrophobicContact CE-CD2 3.92Å; M103-F121 HydrophobicContact CE-CE1 4.42Å; M103-F121 HydrophobicContact CE-CE2 4.03Å; M103-F121 HydrophobicContact CE-CG 4.08Å; M103-F121 HydrophobicContact CE-CZ 4.28Å; M103-F121 HydrophobicContact SD-CB 4.3Å; M103-F121 HydrophobicContact SD-CD1 4.04Å; M103-F121 HydrophobicContact SD-CD2 4.43Å; M103-F121 HydrophobicContact SD-CG 3.99Å; F117-F121 HydrophobicContact CE1-CB 4.38Å; F117-F121 HydrophobicContact CZ-CB 4.23Å; F117-F121 HydrophobicContact CZ-CD2 4.4Å; F117-F121 WeakPolarHBondContact O-CB 3.33Å; F117-F121 PolarHBondContact O-N 3.43Å; C118-F121 PolarHBondContact O-N 2.99Å; F121-K123 PolarHBondContact O-N 3.21Å; F121-E124 PolarHBondContact O-N 3.29Å; F121-I125 HydrophobicContact CD1-CG1 4.3Å; F121-I125 HydrophobicContact CD2-CG1 4.45Å; F121-I125 HydrophobicContact CE1-CG1 3.9Å; F121-I125 HydrophobicContact CE2-CD1 4.16Å; F121-I125 HydrophobicContact CE2-CG1 4.07Å; F121-I125 HydrophobicContact CZ-CD1 4.07Å; F121-I125 HydrophobicContact CZ-CG1 3.77Å; F121-I125 VanDerWaalsContact O-CG1 3.28Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.27Å; F121-F144 HydrophobicContact CE1-CB 4.13Å; F121-F144 HydrophobicContact CE1-CD1 4.33Å; F121-F144 HydrophobicContact CE1-CG 4.09Å; F121-F144 AromaticContact CZ-CD1 3.9Å; F121-F144 HydrophobicContact CZ-CD1 3.9Å; F121-F144 HydrophobicContact CZ-CD2 4.36Å; F121-F144 HydrophobicContact CZ-CE1 4.2Å; F121-F144 HydrophobicContact CZ-CG 4.02Å; F121-V146 HydrophobicContact CD1-CG2 3.93Å; F121-V146 HydrophobicContact CE1-CG2 3.9Å; F121-M334 HydrophobicContact CD2-CE 4.06Å; F121-M334 HydrophobicContact CD2-SD 3.63Å; F121-M334 HydrophobicContact CE2-CE 4.23Å; F121-M334 HydrophobicContact CE2-SD 4.26Å; F121-V337 HydrophobicContact CD2-CG1 4.16Å; F121-V337 HydrophobicContact CE2-CG1 3.75Å; F121-L341 HydrophobicContact CE2-CD1 4.36Å; F121-L341 HydrophobicContact CZ-CD1 4.48Å
122	V	98.8	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.7	-48.1	176.9	173.6	0	0	0	0	110.7	W59 I63 L88 I90 C118 Q119 W120 E124 I125 L126 V146	W59-V122 HydrophobicContact CH2-CB 3.97Å; W59-V122 HydrophobicContact CH2-CG1 4.11Å; W59-V122 HydrophobicContact CH2-CG2 4.01Å; W59-V122 HydrophobicContact CZ2-CB 3.89Å; W59-V122 HydrophobicContact CZ2-CG1 3.88Å; W59-V122 HydrophobicContact CZ2-CG2 4.45Å; I63-V122 HydrophobicContact CD1-CG1 3.81Å; L88-V122 HydrophobicContact CD1-CG1 4.09Å; L88-V122 HydrophobicContact CD1-CG2 4.22Å; I90-V122 HydrophobicContact CD1-CB 4.34Å; I90-V122 HydrophobicContact CD1-CG1 4.14Å; I90-V122 HydrophobicContact CD1-CG2 4.13Å; C118-V122 VanDerWaalsContact O-CG2 3.3Å; C118-V122 WeakPolarHBondContact O-CG2 3.32Å; C118-V122 PolarHBondContact O-N 3.02Å; C118-V122 VanDerWaalsContact O-N 3.15Å; Q119-V122 PolarHBondContact O-N 3.13Å; W120-V122 VanDerWaalsContact C-N 3.34Å; W120-V122 PolarHBondContact O-N 3.46Å; V122-E124 PolarHBondContact O-N 3.48Å; V122-I125 PolarHBondContact O-N 3.18Å; V122-L126 HydrophobicContact CG1-CD1 3.64Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CB 3.31Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.35Å; V122-L126 PolarHBondContact O-N 2.93Å; V122-V146 HydrophobicContact CG2-CB 4.17Å; V122-V146 HydrophobicContact CG2-CG1 4Å; V122-V146 HydrophobicContact CG2-CG2 4.21Å
123	K	97.9	Very high	97.5	Very high	30 Å²	30	31.7 Å²	31.7	13%	0.13	16%	0.164	C	C	.	.	H	α-helix	trans	-55.8	-51.7	176.2	173.4	-141.8	172.8	-146.1	0	111.9	Y47 Q119 W120 F121 I125 L126 Q127	Y47-K123 HydrophobicContact CD1-CB 4.09Å; Y47-K123 HydrophobicContact CD1-CD 4.1Å; Y47-K123 HydrophobicContact CD1-CG 4.44Å; Y47-K123 HydrophobicContact CD2-CD 3.64Å; Y47-K123 HydrophobicContact CD2-CG 4.04Å; Y47-K123 HydrophobicContact CE1-CB 3.59Å; Y47-K123 HydrophobicContact CE1-CD 4.31Å; Y47-K123 HydrophobicContact CE1-CG 4.14Å; Y47-K123 HydrophobicContact CE2-CB 4.08Å; Y47-K123 HydrophobicContact CE2-CD 3.88Å; Y47-K123 HydrophobicContact CE2-CG 3.71Å; Y47-K123 HydrophobicContact CG-CD 3.75Å; Y47-K123 HydrophobicContact CG-CG 4.38Å; Q119-K123 WeakPolarHBondContact O-CB 3.44Å; Q119-K123 PolarHBondContact O-N 2.85Å; W120-K123 WeakPolarHBondContact O-CB 3.47Å; W120-K123 PolarHBondContact O-N 3.12Å; F121-K123 PolarHBondContact O-N 3.21Å; K123-I125 PolarHBondContact O-N 3.45Å; K123-L126 PolarHBondContact O-N 2.88Å; K123-Q127 HydrophobicContact CG-CG 4.4Å; K123-Q127 WeakPolarHBondContact O-CB 3.47Å; K123-Q127 VanDerWaalsContact O-CG 3.32Å; K123-Q127 WeakPolarHBondContact O-CG 3.19Å; K123-Q127 PolarHBondContact O-N 2.71Å
124	E	98	Very high	97.3	Very high	41 Å²	41	34.7 Å²	34.7	19%	0.192	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-41.4	-176.9	-71.7	-57.9	129.5	0	0	111.9	W120 F121 V122 N128 M334	W120-E124 HydrophobicContact CG-CG 4.36Å; W120-E124 WeakPolarHBondContact O-CG 3.36Å; W120-E124 PolarHBondContact O-N 2.65Å; F121-E124 PolarHBondContact O-N 3.29Å; V122-E124 PolarHBondContact O-N 3.48Å; E124-N128 VanDerWaalsContact O-CB 3.31Å; E124-N128 WeakPolarHBondContact O-CB 3.27Å; E124-N128 PolarHBondContact O-N 3.37Å; E124-N128 PolarHBondContact O-ND2 3.29Å; E124-M334 HydrophobicContact CB-CE 3.68Å; E124-M334 HydrophobicContact CB-CG 4.48Å; E124-M334 HydrophobicContact CB-SD 4.13Å; E124-M334 HydrophobicContact CG-CG 4.47Å
125	I	98.4	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-47.7	174.8	-64.2	-62.2	0	0	0	110.6	I90 F121 V122 K123 N128 Y129 I135 L139 F144 M334	I90-I125 HydrophobicContact CD1-CB 4.34Å; I90-I125 HydrophobicContact CD1-CG2 4.21Å; I90-I125 HydrophobicContact CG2-CG2 3.95Å; F121-I125 HydrophobicContact CD1-CG1 4.3Å; F121-I125 HydrophobicContact CD2-CG1 4.45Å; F121-I125 HydrophobicContact CE1-CG1 3.9Å; F121-I125 HydrophobicContact CE2-CD1 4.16Å; F121-I125 HydrophobicContact CE2-CG1 4.07Å; F121-I125 HydrophobicContact CZ-CD1 4.07Å; F121-I125 HydrophobicContact CZ-CG1 3.77Å; F121-I125 VanDerWaalsContact O-CG1 3.28Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.27Å; V122-I125 PolarHBondContact O-N 3.18Å; K123-I125 PolarHBondContact O-N 3.45Å; I125-N128 PolarHBondContact O-N 2.87Å; I125-Y129 WeakPolarHBondContact O-CB 3.18Å; I125-Y129 PolarHBondContact O-N 3.03Å; I125-I135 HydrophobicContact CD1-CD1 4.21Å; I125-I135 HydrophobicContact CD1-CG1 4.13Å; I125-I135 HydrophobicContact CD1-CG2 3.98Å; I125-I135 HydrophobicContact CG2-CG2 4.17Å; I125-L139 HydrophobicContact CG2-CD1 3.92Å; I125-L139 HydrophobicContact CG2-CD2 4.47Å; I125-F144 HydrophobicContact CD1-CE2 4.07Å; I125-F144 HydrophobicContact CG1-CE2 4.48Å; I125-F144 HydrophobicContact CG2-CD2 4.26Å; I125-F144 HydrophobicContact CG2-CE2 4.32Å; I125-M334 HydrophobicContact CD1-CE 3.77Å; I125-M334 HydrophobicContact CG1-CE 4.19Å
126	L	97.2	Very high	97	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-75.1	-23.9	-175.4	-64.1	175.2	0	0	0	114.6	I63 Y67 V70 V71 I90 V122 K123 N128 Y129	I63-L126 HydrophobicContact CD1-CD1 3.8Å; I63-L126 HydrophobicContact CG1-CD1 3.63Å; Y67-L126 HydrophobicContact CD1-CB 4.19Å; Y67-L126 HydrophobicContact CD1-CD2 4.33Å; Y67-L126 HydrophobicContact CD2-CB 4.33Å; Y67-L126 HydrophobicContact CD2-CD1 3.79Å; Y67-L126 HydrophobicContact CE1-CB 4.03Å; Y67-L126 WeakPolarHBondContact CE1-O 3.45Å; Y67-L126 HydrophobicContact CE2-CB 4.19Å; Y67-L126 HydrophobicContact CE2-CD1 4.22Å; Y67-L126 HydrophobicContact CG-CB 4.33Å; Y67-L126 HydrophobicContact CG-CD1 4.05Å; Y67-L126 HydrophobicContact CG-CD2 4.2Å; Y67-L126 HydrophobicContact CG-CG 4.43Å; V70-L126 HydrophobicContact CG2-CD2 3.75Å; V71-L126 HydrophobicContact CG2-CD1 3.66Å; V71-L126 HydrophobicContact CG2-CD2 3.39Å; V71-L126 HydrophobicContact CG2-CG 4.14Å; I90-L126 HydrophobicContact CG2-CD2 3.94Å; V122-L126 HydrophobicContact CG1-CD1 3.64Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CB 3.31Å; V122-L126 VanDerWaalsContact O-CG 3.23Å; V122-L126 WeakPolarHBondContact O-CG 3.35Å; V122-L126 PolarHBondContact O-N 2.93Å; K123-L126 PolarHBondContact O-N 2.88Å; L126-N128 VanDerWaalsContact C-N 3.31Å; L126-Y129 WeakPolarHBondContact O-CD1 3.49Å; L126-Y129 VanDerWaalsContact O-CE1 3.25Å; L126-Y129 WeakPolarHBondContact O-CE1 3.21Å
127	Q	95.3	Very high	96.8	Very high	103 Å²	103	42.9 Å²	42.9	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-78.4	-20.5	172.7	-72.4	-178	-15.5	0	0	112.2	K123	K123-Q127 HydrophobicContact CG-CG 4.4Å; K123-Q127 WeakPolarHBondContact O-CB 3.47Å; K123-Q127 VanDerWaalsContact O-CG 3.32Å; K123-Q127 WeakPolarHBondContact O-CG 3.19Å; K123-Q127 PolarHBondContact O-N 2.71Å
128	N	96.2	Very high	96.6	Very high	48 Å²	48	42.9 Å²	42.9	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-121.7	-4.4	-169.5	-68	-79.6	0	0	0	114.8	E124 I125 L126 K130 D131 N132 I135	E124-N128 VanDerWaalsContact O-CB 3.31Å; E124-N128 WeakPolarHBondContact O-CB 3.27Å; E124-N128 PolarHBondContact O-N 3.37Å; E124-N128 PolarHBondContact O-ND2 3.29Å; I125-N128 PolarHBondContact O-N 2.87Å; L126-N128 VanDerWaalsContact C-N 3.31Å; N128-K130 PolarHBondContact O-N 2.87Å; N128-K130 VanDerWaalsContact O-N 3.11Å; N128-D131 PolarHBondContact O-N 2.95Å; N128-N132 HydrophobicContact CB-CB 3.79Å; N128-N132 VanDerWaalsContact O-CB 3.25Å; N128-N132 WeakPolarHBondContact O-CB 3.45Å; N128-N132 PolarHBondContact O-N 2.91Å; N128-I135 HydrophobicContact CB-CD1 3.49Å; N128-I135 VanDerWaalsContact CB-CD1 3.49Å
129	Y	95.3	Very high	96.5	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.047	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.9	-173.2	74.6	-69.8	0	0	0	116.1	Y67 E69 V70 I125 L126 L139	Y67-Y129 HydrophobicContact CD1-CE1 4.28Å; Y67-Y129 HydrophobicContact CE1-CE1 4.32Å; E69-Y129 PolarHBondContact OE1-OH 2.79Å; V70-Y129 HydrophobicContact CG1-CD2 4.03Å; V70-Y129 HydrophobicContact CG1-CE2 3.75Å; V70-Y129 HydrophobicContact CG2-CD2 4.36Å; V70-Y129 HydrophobicContact CG2-CE2 3.99Å; I125-Y129 WeakPolarHBondContact O-CB 3.18Å; I125-Y129 PolarHBondContact O-N 3.03Å; L126-Y129 WeakPolarHBondContact O-CD1 3.49Å; L126-Y129 VanDerWaalsContact O-CE1 3.25Å; L126-Y129 WeakPolarHBondContact O-CE1 3.21Å; Y129-L139 VanDerWaalsContact CB-CD1 3.42Å; Y129-L139 HydrophobicContact CG-CD1 4.49Å
130	K	93.4	Very high	96.2	Very high	123 Å²	123	48.1 Å²	48.1	54%	0.535	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-47.2	177.8	-74.6	171	167	155.2	0	112	N128 R136	N128-K130 PolarHBondContact O-N 2.87Å; N128-K130 VanDerWaalsContact O-N 3.11Å; K130-R136 PolarHBondContact O-NH1 3.24Å
131	D	94.6	Very high	96	Very high	139 Å²	139	49.4 Å²	49.4	74%	0.743	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-29.5	-164.5	-54.9	-46.8	0	0	0	113.2	N128 S133	N128-D131 PolarHBondContact O-N 2.95Å; D131-S133 PolarHBondContact O-N 2.76Å
132	N	96.4	Very high	96	Very high	59 Å²	59	49.3 Å²	49.3	32%	0.316	23%	0.233	S	C	.	.			trans	-83.1	114.6	178.8	-173.8	-58.2	0	0	0	110.8	N128 R134 I135 R136	N128-N132 HydrophobicContact CB-CB 3.79Å; N128-N132 VanDerWaalsContact O-CB 3.25Å; N128-N132 WeakPolarHBondContact O-CB 3.45Å; N128-N132 PolarHBondContact O-N 2.91Å; N132-R134 VanDerWaalsContact C-N 3.29Å; N132-R134 PolarHBondContact O-N 3.14Å; N132-R134 WeakPolarHBondContact OD1-CA 3.32Å; N132-R134 VanDerWaalsContact OD1-CB 3.24Å; N132-R134 WeakPolarHBondContact OD1-CB 3.24Å; N132-R134 PolarHBondContact OD1-N 3.36Å; N132-I135 HydrophobicContact CB-CB 4.3Å; N132-I135 HydrophobicContact CB-CD1 4.3Å; N132-I135 PolarHBondContact O-N 2.86Å; N132-I135 PolarHBondContact OD1-N 3.4Å; N132-I135 VanDerWaalsContact OD1-N 3.12Å; N132-R136 VanDerWaalsContact O-CB 3.27Å; N132-R136 WeakPolarHBondContact O-CB 3.35Å; N132-R136 PolarHBondContact O-N 3.32Å
133	S	95.9	Very high	95.9	Very high	84 Å²	84	49.7 Å²	49.7	59%	0.587	24%	0.235	S	C	*	.	H	α-helix	trans	-62.3	-32.2	-176.5	61.4	0	0	0	0	113.8	D131 K137	D131-S133 PolarHBondContact O-N 2.76Å; S133-K137 VanDerWaalsContact O-CB 3.29Å; S133-K137 WeakPolarHBondContact O-CB 3.21Å; S133-K137 PolarHBondContact O-N 2.99Å
134	R	95.4	Very high	96	Very high	66 Å²	66	48.3 Å²	48.3	25%	0.249	23%	0.229	C	C	.	.	H	α-helix	trans	-67.2	-54.1	176.9	-173.3	-174.2	-173	-172.4	4.5	110.3	N132 R136 K137 L138 E335 L338 S339 D342	N132-R134 VanDerWaalsContact C-N 3.29Å; N132-R134 PolarHBondContact O-N 3.14Å; N132-R134 WeakPolarHBondContact OD1-CA 3.32Å; N132-R134 VanDerWaalsContact OD1-CB 3.24Å; N132-R134 WeakPolarHBondContact OD1-CB 3.24Å; N132-R134 PolarHBondContact OD1-N 3.36Å; R134-R136 PolarHBondContact O-N 3.12Å; R134-K137 WeakPolarHBondContact O-CB 3.47Å; R134-K137 PolarHBondContact O-N 3.45Å; R134-K137 VanDerWaalsContact O-N 3.1Å; R134-L138 WeakPolarHBondContact O-CG 3.35Å; R134-L138 PolarHBondContact O-N 2.89Å; R134-E335 IonicContact NH1-OE2 2.65Å; R134-E335 PolarHBondContact NH1-OE2 2.68Å; R134-L338 VanDerWaalsContact NH2-CB 3.3Å; R134-L338 PolarHBondContact NH2-O 3.13Å; R134-S339 VanDerWaalsContact NH2-N 3.15Å; R134-D342 IonicContact CZ-OD2 3.33Å; R134-D342 IonicContact NE-OD1 2.76Å; R134-D342 IonicContact NE-OD2 3.11Å; R134-D342 PolarHBondContact NE-OD2 3.3Å; R134-D342 IonicContact NH2-OD2 3.54Å; R134-D342 PolarHBondContact NH2-OD2 3.04Å
135	I	96.6	Very high	96	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-43.1	179.1	-67.7	169.6	0	0	0	110.8	I125 N128 N132 K137 L138 L139 L338	I125-I135 HydrophobicContact CD1-CD1 4.21Å; I125-I135 HydrophobicContact CD1-CG1 4.13Å; I125-I135 HydrophobicContact CD1-CG2 3.98Å; I125-I135 HydrophobicContact CG2-CG2 4.17Å; N128-I135 HydrophobicContact CB-CD1 3.49Å; N128-I135 VanDerWaalsContact CB-CD1 3.49Å; N132-I135 HydrophobicContact CB-CB 4.3Å; N132-I135 HydrophobicContact CB-CD1 4.3Å; N132-I135 PolarHBondContact O-N 2.86Å; N132-I135 PolarHBondContact OD1-N 3.4Å; N132-I135 VanDerWaalsContact OD1-N 3.12Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 2.68Å; I135-L139 HydrophobicContact CG2-CD1 3.9Å; I135-L139 HydrophobicContact CG2-CG 4.42Å; I135-L139 PolarHBondContact O-N 2.93Å; I135-L338 HydrophobicContact CG1-CD2 4.29Å
136	R	94.2	Very high	96.1	Very high	107 Å²	107	47.2 Å²	47.2	40%	0.404	22%	0.223	S	C	.	.	H	α-helix	trans	-61.3	-35.4	174.9	-169.2	174.7	69.1	-143.5	3.4	112.1	K130 N132 R134 R140	K130-R136 PolarHBondContact O-NH1 3.24Å; N132-R136 VanDerWaalsContact O-CB 3.27Å; N132-R136 WeakPolarHBondContact O-CB 3.35Å; N132-R136 PolarHBondContact O-N 3.32Å; R134-R136 PolarHBondContact O-N 3.12Å; R136-R140 WeakPolarHBondContact O-CG 3.25Å; R136-R140 PolarHBondContact O-N 3.28Å; R136-R140 PolarHBondContact O-NH1 2.73Å
137	K	94.1	Very high	96.1	Very high	71 Å²	71	47.1 Å²	47.1	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-62.4	-49.1	173.8	176.1	179.1	175.3	-174.2	0	111	S133 R134 I135 R140 Y345 D350	S133-K137 VanDerWaalsContact O-CB 3.29Å; S133-K137 WeakPolarHBondContact O-CB 3.21Å; S133-K137 PolarHBondContact O-N 2.99Å; R134-K137 WeakPolarHBondContact O-CB 3.47Å; R134-K137 PolarHBondContact O-N 3.45Å; R134-K137 VanDerWaalsContact O-N 3.1Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 3Å; K137-R140 PolarHBondContact O-N 3.06Å; K137-Y345 HydrophobicContact CD-CE1 4.28Å; K137-Y345 VanDerWaalsContact CE-CD1 3.48Å; K137-Y345 HydrophobicContact CG-CE1 4.25Å; K137-Y345 HydrophobicContact CG-CE2 4.04Å; K137-Y345 WeakPolarHBondContact O-CE2 3.31Å; K137-D350 IonicContact NZ-OD2 2.67Å
138	L	96.3	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-51.4	179.1	-62.7	171.5	0	0	0	111.1	R134 I135 R140 N141 L142 F144 L338 L341 Y345	R134-L138 WeakPolarHBondContact O-CG 3.35Å; R134-L138 PolarHBondContact O-N 2.89Å; I135-L138 PolarHBondContact O-N 2.68Å; L138-R140 PolarHBondContact O-N 3.06Å; L138-R140 VanDerWaalsContact O-N 3.13Å; L138-N141 PolarHBondContact O-N 2.71Å; L138-N141 VanDerWaalsContact O-N 3.12Å; L138-L142 HydrophobicContact CB-CD1 4.39Å; L138-L142 HydrophobicContact CD2-CD1 3.98Å; L138-L142 WeakPolarHBondContact O-CB 3.47Å; L138-L142 PolarHBondContact O-N 2.87Å; L138-F144 HydrophobicContact CB-CZ 4.05Å; L138-F144 HydrophobicContact CD1-CZ 4.43Å; L138-L338 HydrophobicContact CD1-CD2 3.91Å; L138-L341 HydrophobicContact CD1-CB 3.91Å; L138-L341 HydrophobicContact CD1-CD1 4.1Å; L138-L341 HydrophobicContact CD2-CB 4.01Å; L138-Y345 HydrophobicContact CD2-CD2 3.99Å; L138-Y345 HydrophobicContact CD2-CG 4.25Å
139	L	95.6	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-15.7	-175.4	-77.4	174.1	0	0	0	115.2	I90 Q92 K98 I125 Y129 I135 N141 F144	I90-L139 HydrophobicContact CG2-CD2 4.14Å; Q92-L139 HydrophobicContact CB-CB 4.47Å; Q92-L139 HydrophobicContact CG-CB 4.02Å; Q92-L139 HydrophobicContact CG-CD1 4.4Å; K98-L139 WeakPolarHBondContact CE-O 3.44Å; K98-L139 PolarHBondContact NZ-O 3.48Å; I125-L139 HydrophobicContact CG2-CD1 3.92Å; I125-L139 HydrophobicContact CG2-CD2 4.47Å; Y129-L139 VanDerWaalsContact CB-CD1 3.42Å; Y129-L139 HydrophobicContact CG-CD1 4.49Å; I135-L139 HydrophobicContact CG2-CD1 3.9Å; I135-L139 HydrophobicContact CG2-CG 4.42Å; I135-L139 PolarHBondContact O-N 2.93Å; L139-N141 VanDerWaalsContact C-N 3.27Å; L139-N141 PolarHBondContact O-N 2.93Å; L139-F144 HydrophobicContact CD2-CD2 3.57Å; L139-F144 HydrophobicContact CD2-CE2 3.47Å; L139-F144 VanDerWaalsContact CD2-CE2 3.47Å; L139-F144 HydrophobicContact CG-CD2 4.46Å; L139-F144 HydrophobicContact CG-CE2 3.92Å
140	R	92.6	Very high	96.6	Very high	114 Å²	114	39.6 Å²	39.6	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-63.9	-35	172.1	-78.8	-169.5	-55.5	-92.6	9.5	112.6	K98 R136 K137 L138	K98-R140 WeakPolarHBondContact CE-O 3.29Å; R136-R140 WeakPolarHBondContact O-CG 3.25Å; R136-R140 PolarHBondContact O-N 3.28Å; R136-R140 PolarHBondContact O-NH1 2.73Å; K137-R140 PolarHBondContact O-N 3.06Å; L138-R140 PolarHBondContact O-N 3.06Å; L138-R140 VanDerWaalsContact O-N 3.13Å
141	N	95.2	Very high	96.9	Very high	32 Å²	32	33.8 Å²	33.8	17%	0.171	16%	0.161	C	C	.	.	H	α-helix	trans	-123.7	-16.7	-168.8	-75.1	-27	0	0	0	113.7	K98 K99 L138 L139 Y345 W349	K98-N141 WeakPolarHBondContact CA-O 3.3Å; K98-N141 WeakPolarHBondContact CB-O 3.23Å; K99-N141 PolarHBondContact N-O 3.27Å; L138-N141 PolarHBondContact O-N 2.71Å; L138-N141 VanDerWaalsContact O-N 3.12Å; L139-N141 VanDerWaalsContact C-N 3.27Å; L139-N141 PolarHBondContact O-N 2.93Å; N141-Y345 HydrophobicContact CB-CE2 3.89Å; N141-Y345 PolarHBondContact ND2-OH 3.04Å; N141-W349 HydrophobicContact CB-CD2 4.14Å; N141-W349 HydrophobicContact CB-CE3 4.37Å; N141-W349 HydrophobicContact CB-CH2 3.77Å; N141-W349 HydrophobicContact CB-CZ2 3.52Å; N141-W349 HydrophobicContact CB-CZ3 4.2Å; N141-W349 WeakPolarHBondContact O-CH2 3.38Å
142	L	97.9	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.5	179.7	-62	174.1	0	0	0	111.6	K98 K99 I101 L138 L230 Y345 W349	K98-L142 VanDerWaalsContact CE-C 3.47Å; K98-L142 WeakPolarHBondContact CE-O 3.37Å; K98-L142 PolarHBondContact NZ-O 3.26Å; K99-L142 HydrophobicContact CB-CD2 4.06Å; K99-L142 CarbonylContact O-C 3.37Å; K99-L142 VanDerWaalsContact O-CA 3.28Å; K99-L142 WeakPolarHBondContact O-CA 3.42Å; I101-L142 HydrophobicContact CD1-CD1 4.19Å; I101-L142 HydrophobicContact CD1-CD2 4.12Å; I101-L142 HydrophobicContact CG1-CB 4.37Å; I101-L142 HydrophobicContact CG1-CD1 4.06Å; I101-L142 HydrophobicContact CG1-CD2 4.18Å; I101-L142 HydrophobicContact CG1-CG 4.44Å; L138-L142 HydrophobicContact CB-CD1 4.39Å; L138-L142 HydrophobicContact CD2-CD1 3.98Å; L138-L142 WeakPolarHBondContact O-CB 3.47Å; L138-L142 PolarHBondContact O-N 2.87Å; L142-L230 HydrophobicContact CD2-CD1 4.16Å; L142-Y345 HydrophobicContact CD1-CD2 4.26Å; L142-W349 HydrophobicContact CD2-CH2 3.78Å; L142-W349 HydrophobicContact CD2-CZ3 3.72Å; L142-W349 HydrophobicContact CG-CH2 4.45Å; L142-W349 HydrophobicContact CG-CZ3 4.25Å
143	D	98.4	Very high	97.2	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.043	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134	162.7	-73.7	-10.1	0	0	0	109.2	K89 S91 K98 K99 I100 I101 Y145	K89-D143 WeakPolarHBondContact CE-OD2 3.2Å; K89-D143 IonicContact NZ-OD2 2.61Å; K89-D143 PolarHBondContact NZ-OD2 3.23Å; S91-D143 WeakPolarHBondContact CB-OD1 3.48Å; S91-D143 VanDerWaalsContact OG-CG 3.28Å; S91-D143 PolarHBondContact OG-OD1 3.41Å; S91-D143 PolarHBondContact OG-OD2 3.11Å; K98-D143 VanDerWaalsContact CD-OD1 3.27Å; K98-D143 WeakPolarHBondContact CD-OD1 3.46Å; K98-D143 WeakPolarHBondContact CE-OD1 3.46Å; K98-D143 IonicContact NZ-OD1 3.1Å; K98-D143 PolarHBondContact NZ-OD1 3.4Å; K99-D143 PolarHBondContact O-N 3.44Å; I100-D143 WeakPolarHBondContact CA-O 3.44Å; I101-D143 PolarHBondContact N-O 2.87Å; D143-Y145 HydrophobicContact CB-CD1 4.1Å; D143-Y145 HydrophobicContact CB-CE1 3.64Å
144	F	98.9	Very high	97.3	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.9	172.1	-56.9	-64.4	0	0	0	109.6	K89 I90 I101 F121 I125 L138 L139 V146 L341	K89-F144 WeakPolarHBondContact CA-O 3.4Å; I90-F144 HydrophobicContact CB-CB 4.23Å; I90-F144 HydrophobicContact CB-CD2 4.46Å; I90-F144 PolarHBondContact N-O 2.94Å; I90-F144 PolarHBondContact O-N 3.34Å; I101-F144 HydrophobicContact CB-CD1 3.75Å; I101-F144 HydrophobicContact CB-CE1 4.16Å; I101-F144 HydrophobicContact CG1-CD1 4.01Å; I101-F144 HydrophobicContact CG1-CE1 3.92Å; I101-F144 HydrophobicContact CG2-CD1 4.11Å; I101-F144 HydrophobicContact CG2-CE1 4.46Å; F121-F144 HydrophobicContact CE1-CB 4.13Å; F121-F144 HydrophobicContact CE1-CD1 4.33Å; F121-F144 HydrophobicContact CE1-CG 4.09Å; F121-F144 AromaticContact CZ-CD1 3.9Å; F121-F144 HydrophobicContact CZ-CD1 3.9Å; F121-F144 HydrophobicContact CZ-CD2 4.36Å; F121-F144 HydrophobicContact CZ-CE1 4.2Å; F121-F144 HydrophobicContact CZ-CG 4.02Å; I125-F144 HydrophobicContact CD1-CE2 4.07Å; I125-F144 HydrophobicContact CG1-CE2 4.48Å; I125-F144 HydrophobicContact CG2-CD2 4.26Å; I125-F144 HydrophobicContact CG2-CE2 4.32Å; L138-F144 HydrophobicContact CB-CZ 4.05Å; L138-F144 HydrophobicContact CD1-CZ 4.43Å; L139-F144 HydrophobicContact CD2-CD2 3.57Å; L139-F144 HydrophobicContact CD2-CE2 3.47Å; L139-F144 VanDerWaalsContact CD2-CE2 3.47Å; L139-F144 HydrophobicContact CG-CD2 4.46Å; L139-F144 HydrophobicContact CG-CE2 3.92Å; F144-V146 HydrophobicContact CB-CG2 4.32Å; F144-L341 HydrophobicContact CE1-CD1 3.55Å; F144-L341 HydrophobicContact CE1-CD2 4.08Å; F144-L341 HydrophobicContact CE1-CG 4.43Å; F144-L341 HydrophobicContact CZ-CD1 3.91Å
145	Y	98.9	Very high	97.5	Very high	17 Å²	17	17.4 Å²	17.4	7%	0.067	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.6	174.9	-71.3	13.5	0	0	0	107.5	Y87 L88 K89 I100 I101 M103 D143 F221	Y87-Y145 HydrophobicContact CD2-CD2 4.39Å; Y87-Y145 HydrophobicContact CD2-CG 4.2Å; Y87-Y145 HydrophobicContact CE2-CD1 4.42Å; Y87-Y145 AromaticContact CE2-CD2 3.81Å; Y87-Y145 HydrophobicContact CE2-CD2 3.81Å; Y87-Y145 HydrophobicContact CE2-CE2 4.2Å; Y87-Y145 AromaticContact CE2-CG 3.94Å; Y87-Y145 HydrophobicContact CE2-CG 3.94Å; L88-Y145 WeakPolarHBondContact O-CA 3.35Å; K89-Y145 HydrophobicContact CB-CD1 4.03Å; K89-Y145 HydrophobicContact CB-CE1 3.96Å; K89-Y145 HydrophobicContact CD-CD1 4.44Å; K89-Y145 HydrophobicContact CD-CE1 3.54Å; K89-Y145 HydrophobicContact CG-CD1 4Å; K89-Y145 HydrophobicContact CG-CE1 3.55Å; K89-Y145 PolarHBondContact NZ-OH 3.26Å; I100-Y145 HydrophobicContact CD1-CD2 4.37Å; I100-Y145 HydrophobicContact CD1-CE2 3.68Å; I100-Y145 HydrophobicContact CG1-CE1 4.41Å; I100-Y145 HydrophobicContact CG1-CE2 4.14Å; I100-Y145 HydrophobicContact CG2-CD1 4.13Å; I100-Y145 HydrophobicContact CG2-CD2 3.68Å; I100-Y145 HydrophobicContact CG2-CE1 4.45Å; I100-Y145 HydrophobicContact CG2-CE2 4.04Å; I100-Y145 HydrophobicContact CG2-CG 3.73Å; I101-Y145 PolarHBondContact O-N 3.41Å; M103-Y145 PolarHBondContact N-O 3.39Å; D143-Y145 HydrophobicContact CB-CD1 4.1Å; D143-Y145 HydrophobicContact CB-CE1 3.64Å; Y145-F221 AromaticContact CD2-CE1 3.78Å; Y145-F221 HydrophobicContact CD2-CE1 3.78Å; Y145-F221 AromaticContact CD2-CZ 3.62Å; Y145-F221 HydrophobicContact CD2-CZ 3.62Å; Y145-F221 HydrophobicContact CE2-CE1 4.22Å; Y145-F221 AromaticContact CE2-CZ 3.64Å; Y145-F221 HydrophobicContact CE2-CZ 3.64Å
146	V	98.9	Very high	97.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.1	-171	-173	0	0	0	0	109.9	Y87 L88 M103 C118 F121 V122 F144 P148	Y87-V146 CarbonylContact C-O 3.53Å; Y87-V146 VanDerWaalsContact CA-O 3.31Å; Y87-V146 WeakPolarHBondContact CA-O 3.28Å; Y87-V146 WeakPolarHBondContact CB-O 3.49Å; L88-V146 PolarHBondContact N-O 3.42Å; L88-V146 PolarHBondContact O-N 3.32Å; M103-V146 HydrophobicContact CB-CG2 4.49Å; M103-V146 CarbonylContact O-C 3.51Å; M103-V146 VanDerWaalsContact O-CA 3.31Å; M103-V146 WeakPolarHBondContact O-CA 3.3Å; C118-V146 HydrophobicContact CB-CG1 3.97Å; F121-V146 HydrophobicContact CD1-CG2 3.93Å; F121-V146 HydrophobicContact CE1-CG2 3.9Å; V122-V146 HydrophobicContact CG2-CB 4.17Å; V122-V146 HydrophobicContact CG2-CG1 4Å; V122-V146 HydrophobicContact CG2-CG2 4.21Å; F144-V146 HydrophobicContact CB-CG2 4.32Å; V146-P148 WeakPolarHBondContact O-CD 3.48Å
147	L	98.9	Very high	97.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	99.6	171.8	175.2	59.9	0	0	0	109	L76 M85 Y86 W102 M103 D104 C105 V149 L150 V218	L76-L147 HydrophobicContact CD2-CD1 4.35Å; L76-L147 HydrophobicContact CD2-CD2 3.9Å; M85-L147 HydrophobicContact CE-CD2 4.33Å; Y86-L147 WeakPolarHBondContact O-CD1 3.38Å; W102-L147 HydrophobicContact CH2-CB 4.24Å; W102-L147 HydrophobicContact CH2-CD2 4.32Å; W102-L147 HydrophobicContact CZ2-CB 4.14Å; W102-L147 HydrophobicContact CZ2-CD2 4.03Å; M103-L147 PolarHBondContact O-N 2.9Å; D104-L147 WeakPolarHBondContact CA-O 3.43Å; D104-L147 HydrophobicContact CB-CB 4.11Å; D104-L147 HydrophobicContact CB-CD2 4.29Å; D104-L147 HydrophobicContact CB-CG 4.49Å; C105-L147 PolarHBondContact N-O 3.48Å; L147-V149 PolarHBondContact O-N 2.8Å; L147-L150 HydrophobicContact CD2-CB 3.86Å; L147-L150 HydrophobicContact CD2-CD1 4.23Å; L147-L150 HydrophobicContact CD2-CG 3.89Å; L147-L150 HydrophobicContact CG-CB 4.39Å; L147-V218 HydrophobicContact CD2-CG2 3.76Å
148	P	98.8	Very high	98.1	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.013	6%	0.059	C	C	.	.	S	Bend	trans	-67.5	-33.1	-170.9	-21.5	33.7	0	0	0	114.3	I56 W59 M60 C105 P115 C118 V146	I56-P148 HydrophobicContact CG2-CB 4.35Å; W59-P148 HydrophobicContact CH2-CG 4.47Å; W59-P148 HydrophobicContact CZ3-CB 4.37Å; W59-P148 HydrophobicContact CZ3-CG 3.88Å; M60-P148 HydrophobicContact CE-CG 4.13Å; M60-P148 HydrophobicContact CG-CG 4.45Å; M60-P148 HydrophobicContact SD-CG 4.09Å; C105-P148 VanDerWaalsContact CB-O 3.24Å; C105-P148 WeakPolarHBondContact CB-O 3.3Å; P115-P148 WeakPolarHBondContact CA-O 3.29Å; C118-P148 HydrophobicContact CB-CB 4.23Å; V146-P148 WeakPolarHBondContact O-CD 3.48Å
149	V	98.9	Very high	98.2	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	8%	0.075	C	C	.	.			trans	-140.8	110.5	178.3	-174.5	0	0	0	0	108.4	M53 I56 C105 P115 L147 I152 Y155	M53-V149 HydrophobicContact CE-CB 4.42Å; M53-V149 HydrophobicContact CE-CG2 4.47Å; M53-V149 HydrophobicContact SD-CB 3.97Å; M53-V149 HydrophobicContact SD-CG1 4.14Å; M53-V149 HydrophobicContact SD-CG2 3.89Å; I56-V149 HydrophobicContact CD1-CG2 3.87Å; C105-V149 WeakPolarHBondContact O-CA 3.31Å; P115-V149 HydrophobicContact CB-CG2 3.94Å; P115-V149 HydrophobicContact CG-CG2 4.1Å; L147-V149 PolarHBondContact O-N 2.8Å; V149-I152 HydrophobicContact CB-CG1 4.24Å; V149-I152 HydrophobicContact CG1-CG1 3.98Å; V149-I152 WeakPolarHBondContact O-CG1 3.46Å; V149-Y155 HydrophobicContact CG1-CD1 4.32Å; V149-Y155 HydrophobicContact CG1-CG 3.99Å
150	L	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-79.7	-49.7	175.8	-170.6	165.2	0	0	0	110.8	M85 D104 C105 I107 L147 I152 L182 E214 V218	M85-L150 HydrophobicContact CE-CG 4.36Å; D104-L150 HydrophobicContact CB-CD1 4.35Å; C105-L150 PolarHBondContact O-N 3.21Å; I107-L150 HydrophobicContact CB-CB 4.38Å; I107-L150 HydrophobicContact CB-CD1 4.17Å; I107-L150 HydrophobicContact CD1-CD1 4.12Å; I107-L150 HydrophobicContact CG1-CD1 4.15Å; I107-L150 HydrophobicContact CG1-CD2 4.14Å; L147-L150 HydrophobicContact CD2-CB 3.86Å; L147-L150 HydrophobicContact CD2-CD1 4.23Å; L147-L150 HydrophobicContact CD2-CG 3.89Å; L147-L150 HydrophobicContact CG-CB 4.39Å; L150-I152 PolarHBondContact O-N 3.28Å; L150-L182 HydrophobicContact CD2-CD1 3.48Å; L150-L182 VanDerWaalsContact CD2-CD1 3.48Å; L150-E214 HydrophobicContact CD2-CB 3.91Å; L150-V218 HydrophobicContact CD1-CG2 3.82Å; L150-V218 HydrophobicContact CG-CG2 4.02Å
151	N	98.9	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.			trans	-90.9	72.7	-179.4	-173.8	0.4	0	0	0	111.3	G106 I107 G154 Y155 R166 K167 L182	G106-N151 WeakPolarHBondContact O-CB 3.48Å; G106-N151 PolarHBondContact O-N 3.39Å; I107-N151 WeakPolarHBondContact O-CB 3.48Å; I107-N151 PolarHBondContact O-ND2 3.34Å; N151-G154 WeakPolarHBondContact OD1-CA 3.2Å; N151-G154 PolarHBondContact OD1-N 3.11Å; N151-Y155 VanDerWaalsContact O-CB 3.27Å; N151-Y155 WeakPolarHBondContact O-CB 3.41Å; N151-Y155 PolarHBondContact O-N 3.33Å; N151-R166 PolarHBondContact ND2-O 3.37Å; N151-K167 PolarHBondContact ND2-O 3.13Å; N151-L182 HydrophobicContact CB-CD1 3.65Å
152	I	98.9	Very high	98.8	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-46.4	-172.5	-60.2	175.7	0	0	0	111.7	M53 Y57 T79 H83 M85 V149 L150 G154 Y155 I156	M53-I152 HydrophobicContact CE-CD1 4.34Å; M53-I152 HydrophobicContact CE-CG1 4.44Å; M53-I152 HydrophobicContact CE-CG2 4.5Å; M53-I152 HydrophobicContact CG-CG2 3.7Å; M53-I152 HydrophobicContact SD-CG1 4.33Å; M53-I152 HydrophobicContact SD-CG2 3.92Å; Y57-I152 HydrophobicContact CE1-CD1 4.49Å; Y57-I152 WeakPolarHBondContact OH-CD1 3.29Å; T79-I152 HydrophobicContact CG2-CB 3.79Å; T79-I152 HydrophobicContact CG2-CD1 4.29Å; T79-I152 HydrophobicContact CG2-CG1 4.27Å; H83-I152 HydrophobicContact CB-CB 4.43Å; H83-I152 HydrophobicContact CB-CG2 3.79Å; M85-I152 HydrophobicContact CB-CD1 4.35Å; M85-I152 HydrophobicContact CG-CD1 3.84Å; V149-I152 HydrophobicContact CB-CG1 4.24Å; V149-I152 HydrophobicContact CG1-CG1 3.98Å; V149-I152 WeakPolarHBondContact O-CG1 3.46Å; L150-I152 PolarHBondContact O-N 3.28Å; I152-G154 PolarHBondContact O-N 3.5Å; I152-Y155 WeakPolarHBondContact O-CB 3.35Å; I152-Y155 PolarHBondContact O-N 2.95Å; I152-I156 HydrophobicContact CG2-CD1 3.87Å; I152-I156 HydrophobicContact CG2-CG1 4.45Å; I152-I156 WeakPolarHBondContact O-CG1 3.43Å; I152-I156 PolarHBondContact O-N 3.29Å
153	D	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-47.2	-179.7	-60.1	-9.5	0	0	0	111.2	T79 Y80 E81 H83 Y155 I156 Y157 R169	T79-D153 VanDerWaalsContact CB-CG 3.48Å; T79-D153 WeakPolarHBondContact CB-OD1 3.14Å; T79-D153 VanDerWaalsContact CB-OD2 3.27Å; T79-D153 WeakPolarHBondContact CB-OD2 3.27Å; T79-D153 PolarHBondContact OG1-OD1 3.22Å; T79-D153 PolarHBondContact OG1-OD2 3.02Å; Y80-D153 PolarHBondContact N-OD2 3.05Å; E81-D153 HydrophobicContact CB-CB 4.44Å; E81-D153 WeakPolarHBondContact CB-OD2 3.14Å; E81-D153 HydrophobicContact CG-CB 4.23Å; E81-D153 WeakPolarHBondContact CG-OD2 3.17Å; E81-D153 PolarHBondContact N-OD2 2.91Å; H83-D153 IonicContact CE1-OD1 3.41Å; H83-D153 IonicContact CG-OD1 3.95Å; H83-D153 IonicContact ND1-OD1 3.87Å; H83-D153 PolarHBondContact ND1-OD1 3.22Å; D153-Y155 VanDerWaalsContact C-N 3.32Å; D153-Y155 PolarHBondContact O-N 3.48Å; D153-I156 PolarHBondContact O-N 3.04Å; D153-Y157 WeakPolarHBondContact O-CB 3.47Å; D153-Y157 PolarHBondContact O-N 3.29Å; D153-R169 HydrophobicContact CB-CB 3.7Å; D153-R169 HydrophobicContact CB-CG 3.6Å
154	G	98.9	Very high	98.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175.5	0	0	0	0	0	111.3	A109 N151 I152 Y157 T158	A109-G154 VanDerWaalsContact CB-O 3.25Å; A109-G154 WeakPolarHBondContact CB-O 3.47Å; N151-G154 WeakPolarHBondContact OD1-CA 3.2Å; N151-G154 PolarHBondContact OD1-N 3.11Å; I152-G154 PolarHBondContact O-N 3.5Å; G154-Y157 WeakPolarHBondContact O-CB 3.49Å; G154-Y157 PolarHBondContact O-N 2.78Å; G154-Y157 VanDerWaalsContact O-N 3.14Å; G154-T158 WeakPolarHBondContact O-CG2 3.36Å; G154-T158 PolarHBondContact O-N 2.92Å
155	Y	98.9	Very high	98.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-48.8	178.7	-169.7	-107.3	0	0	0	111	H51 M53 I56 A109 W112 P115 V149 N151 I152 D153 Y157 T158 W159	H51-Y155 WeakPolarHBondContact O-CE1 3.42Å; H51-Y155 PolarHBondContact O-OH 3.31Å; M53-Y155 HydrophobicContact CB-CD1 4.22Å; M53-Y155 HydrophobicContact SD-CD1 4.31Å; I56-Y155 HydrophobicContact CD1-CE1 3.78Å; A109-Y155 WeakPolarHBondContact O-CD2 3.42Å; W112-Y155 AromaticContact CD1-CD2 3.94Å; W112-Y155 AromaticContact CD1-CE2 3.36Å; W112-Y155 HydrophobicContact CG-CE2 4.04Å; W112-Y155 AromaticContact NE1-CE2 3.63Å; P115-Y155 HydrophobicContact CB-CE2 4.46Å; P115-Y155 HydrophobicContact CG-CD2 4.41Å; P115-Y155 HydrophobicContact CG-CE2 3.99Å; V149-Y155 HydrophobicContact CG1-CD1 4.32Å; V149-Y155 HydrophobicContact CG1-CG 3.99Å; N151-Y155 VanDerWaalsContact O-CB 3.27Å; N151-Y155 WeakPolarHBondContact O-CB 3.41Å; N151-Y155 PolarHBondContact O-N 3.33Å; I152-Y155 WeakPolarHBondContact O-CB 3.35Å; I152-Y155 PolarHBondContact O-N 2.95Å; D153-Y155 VanDerWaalsContact C-N 3.32Å; D153-Y155 PolarHBondContact O-N 3.48Å; Y155-Y157 VanDerWaalsContact C-N 3.26Å; Y155-Y157 PolarHBondContact O-N 3.11Å; Y155-T158 PolarHBondContact O-N 3.17Å; Y155-T158 PolarHBondContact O-OG1 2.92Å; Y155-W159 AromaticContact CD1-NE1 3.98Å; Y155-W159 AromaticContact CE1-CD1 3.79Å; Y155-W159 AromaticContact CE1-NE1 3.29Å; Y155-W159 VanDerWaalsContact CE1-NE1 3.29Å; Y155-W159 AromaticContact CE2-NE1 3.92Å; Y155-W159 AromaticContact CZ-NE1 3.25Å; Y155-W159 VanDerWaalsContact O-CD1 3.31Å; Y155-W159 PolarHBondContact O-N 3.18Å; Y155-W159 PolarHBondContact OH-NE1 2.8Å
156	I	98.9	Very high	98.8	Very high	42 Å²	42	31 Å²	31	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-42.1	174.1	-67.8	167.3	0	0	0	111	M53 I152 D153 T158 W159 T160	M53-I156 HydrophobicContact CB-CD1 4.17Å; M53-I156 HydrophobicContact CB-CG1 3.67Å; M53-I156 HydrophobicContact CG-CD1 4.31Å; M53-I156 HydrophobicContact CG-CG1 4.25Å; I152-I156 HydrophobicContact CG2-CD1 3.87Å; I152-I156 HydrophobicContact CG2-CG1 4.45Å; I152-I156 WeakPolarHBondContact O-CG1 3.43Å; I152-I156 PolarHBondContact O-N 3.29Å; D153-I156 PolarHBondContact O-N 3.04Å; I156-T158 VanDerWaalsContact C-N 3.25Å; I156-T158 PolarHBondContact O-N 2.5Å; I156-W159 PolarHBondContact O-N 2.99Å; I156-W159 VanDerWaalsContact O-N 3.08Å; I156-T160 HydrophobicContact CG2-CG2 4.38Å; I156-T160 PolarHBondContact O-N 3.03Å; I156-T160 VanDerWaalsContact O-N 3.16Å; I156-T160 PolarHBondContact O-OG1 3.36Å
157	Y	98.9	Very high	98.8	Very high	56 Å²	56	31.1 Å²	31.1	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-32.3	178.1	-164.2	-105	0	0	0	112.7	D153 G154 Y155 W159 T160 T161 D162 W165	D153-Y157 WeakPolarHBondContact O-CB 3.47Å; D153-Y157 PolarHBondContact O-N 3.29Å; G154-Y157 WeakPolarHBondContact O-CB 3.49Å; G154-Y157 PolarHBondContact O-N 2.78Å; G154-Y157 VanDerWaalsContact O-N 3.14Å; Y155-Y157 VanDerWaalsContact C-N 3.26Å; Y155-Y157 PolarHBondContact O-N 3.11Å; Y157-W159 VanDerWaalsContact C-N 3.31Å; Y157-W159 PolarHBondContact O-N 2.87Å; Y157-T160 PolarHBondContact O-N 2.73Å; Y157-T161 HydrophobicContact CD2-CG2 4.38Å; Y157-T161 HydrophobicContact CE1-CG2 4.12Å; Y157-T161 VanDerWaalsContact CE2-CB 3.41Å; Y157-T161 HydrophobicContact CE2-CG2 3.55Å; Y157-T161 WeakPolarHBondContact CE2-OG1 3.41Å; Y157-T161 PolarHBondContact O-N 3.15Å; Y157-T161 VanDerWaalsContact OH-CG2 3.31Å; Y157-T161 WeakPolarHBondContact OH-CG2 3.46Å; Y157-D162 HydrophobicContact CD1-CB 4.17Å; Y157-D162 HydrophobicContact CE1-CB 3.74Å; Y157-D162 PolarHBondContact O-N 3.22Å; Y157-W165 HydrophobicContact CD1-CB 3.69Å; Y157-W165 AromaticContact CD1-CD1 3.97Å; Y157-W165 AromaticContact CD1-CD2 3.73Å; Y157-W165 HydrophobicContact CD1-CD2 3.73Å; Y157-W165 HydrophobicContact CD1-CE3 4.14Å; Y157-W165 AromaticContact CD1-CG 3.51Å; Y157-W165 HydrophobicContact CD1-CG 3.51Å; Y157-W165 HydrophobicContact CE1-CB 4.26Å; Y157-W165 AromaticContact CE1-CD2 3.8Å; Y157-W165 HydrophobicContact CE1-CD2 3.8Å; Y157-W165 AromaticContact CE1-CE3 3.72Å; Y157-W165 HydrophobicContact CE1-CE3 3.72Å; Y157-W165 HydrophobicContact CE1-CG 4.04Å; Y157-W165 HydrophobicContact CE1-CZ3 4.37Å
158	T	98.9	Very high	98.8	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-71	-23	174.4	65.6	0	0	0	0	114.9	A109 R110 W112 G154 Y155 I156 D162 R163 W165	A109-T158 HydrophobicContact CB-CG2 3.63Å; R110-T158 HydrophobicContact CB-CG2 4.44Å; W112-T158 PolarHBondContact NE1-OG1 3.43Å; G154-T158 WeakPolarHBondContact O-CG2 3.36Å; G154-T158 PolarHBondContact O-N 2.92Å; Y155-T158 PolarHBondContact O-N 3.17Å; Y155-T158 PolarHBondContact O-OG1 2.92Å; I156-T158 VanDerWaalsContact C-N 3.25Å; I156-T158 PolarHBondContact O-N 2.5Å; T158-D162 VanDerWaalsContact CA-O 3.26Å; T158-D162 WeakPolarHBondContact CA-O 3.11Å; T158-D162 WeakPolarHBondContact CG2-O 3.47Å; T158-R163 WeakPolarHBondContact O-CA 3.37Å; T158-W165 HydrophobicContact CG2-CB 3.89Å; T158-W165 WeakPolarHBondContact CG2-O 3.42Å
159	W	98.8	Very high	98.8	Very high	87 Å²	87	32.1 Å²	32.1	33%	0.33	16%	0.158	S	C	.	.	H	α-helix	trans	-85.9	-24.9	175.5	-79.2	92.9	0	0	0	113	Y50 H51 P52 W112 Y155 I156 Y157	Y50-W159 WeakPolarHBondContact O-CH2 3.39Å; H51-W159 WeakPolarHBondContact O-CZ2 3.46Å; P52-W159 HydrophobicContact CB-CD2 4.05Å; P52-W159 HydrophobicContact CB-CE3 4.22Å; P52-W159 HydrophobicContact CB-CG 4.38Å; W112-W159 HydrophobicContact CD2-CZ2 4.39Å; W112-W159 AromaticContact CE2-CE2 3.92Å; W112-W159 AromaticContact CE2-NE1 3.66Å; W112-W159 HydrophobicContact CE3-CZ2 4.13Å; W112-W159 AromaticContact CH2-CD2 3.66Å; W112-W159 HydrophobicContact CH2-CD2 3.66Å; W112-W159 AromaticContact CH2-CE2 3.58Å; W112-W159 AromaticContact CH2-CE3 3.89Å; W112-W159 HydrophobicContact CH2-CE3 3.89Å; W112-W159 HydrophobicContact CH2-CG 4.27Å; W112-W159 AromaticContact CH2-CH2 3.98Å; W112-W159 HydrophobicContact CH2-CH2 3.98Å; W112-W159 AromaticContact CH2-CZ2 3.76Å; W112-W159 HydrophobicContact CH2-CZ2 3.76Å; W112-W159 HydrophobicContact CH2-CZ3 4.04Å; W112-W159 AromaticContact CZ2-CD1 3.72Å; W112-W159 AromaticContact CZ2-CD2 3.65Å; W112-W159 HydrophobicContact CZ2-CD2 3.65Å; W112-W159 AromaticContact CZ2-CE2 3.48Å; W112-W159 VanDerWaalsContact CZ2-CE2 3.48Å; W112-W159 HydrophobicContact CZ2-CE3 4.33Å; W112-W159 AromaticContact CZ2-CG 3.81Å; W112-W159 HydrophobicContact CZ2-CG 3.81Å; W112-W159 HydrophobicContact CZ2-CZ2 4.04Å; W112-W159 AromaticContact CZ2-NE1 3.51Å; W112-W159 AromaticContact CZ3-CH2 3.95Å; W112-W159 HydrophobicContact CZ3-CH2 3.95Å; W112-W159 AromaticContact CZ3-CZ2 3.81Å; W112-W159 HydrophobicContact CZ3-CZ2 3.81Å; W112-W159 HydrophobicContact CZ3-CZ3 4.36Å; W112-W159 AromaticContact NE1-NE1 3.96Å; Y155-W159 AromaticContact CD1-NE1 3.98Å; Y155-W159 AromaticContact CE1-CD1 3.79Å; Y155-W159 AromaticContact CE1-NE1 3.29Å; Y155-W159 VanDerWaalsContact CE1-NE1 3.29Å; Y155-W159 AromaticContact CE2-NE1 3.92Å; Y155-W159 AromaticContact CZ-NE1 3.25Å; Y155-W159 VanDerWaalsContact O-CD1 3.31Å; Y155-W159 PolarHBondContact O-N 3.18Å; Y155-W159 PolarHBondContact OH-NE1 2.8Å; I156-W159 PolarHBondContact O-N 2.99Å; I156-W159 VanDerWaalsContact O-N 3.08Å; Y157-W159 VanDerWaalsContact C-N 3.31Å; Y157-W159 PolarHBondContact O-N 2.87Å
160	T	98.4	Very high	98.8	Very high	101 Å²	101	32.2 Å²	32.2	62%	0.62	16%	0.159	S	C	*	.	H	α-helix	trans	-112.1	-28.7	-168.3	54.2	0	0	0	0	114.1	I156 Y157	I156-T160 HydrophobicContact CG2-CG2 4.38Å; I156-T160 PolarHBondContact O-N 3.03Å; I156-T160 VanDerWaalsContact O-N 3.16Å; I156-T160 PolarHBondContact O-OG1 3.36Å; Y157-T160 PolarHBondContact O-N 2.73Å
161	T	98.4	Very high	98.7	Very high	93 Å²	93	34.4 Å²	34.4	57%	0.571	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.2	-61.3	-168	-49.4	0	0	0	0	113.3	Y157	Y157-T161 HydrophobicContact CD2-CG2 4.38Å; Y157-T161 HydrophobicContact CE1-CG2 4.12Å; Y157-T161 VanDerWaalsContact CE2-CB 3.41Å; Y157-T161 HydrophobicContact CE2-CG2 3.55Å; Y157-T161 WeakPolarHBondContact CE2-OG1 3.41Å; Y157-T161 PolarHBondContact O-N 3.15Å; Y157-T161 VanDerWaalsContact OH-CG2 3.31Å; Y157-T161 WeakPolarHBondContact OH-CG2 3.46Å
162	D	98.6	Very high	98.6	Very high	64 Å²	64	35.4 Å²	35.4	34%	0.342	18%	0.178	S	C	.	.			trans	-134.3	100.9	-176.4	175.7	7.7	0	0	0	110.9	Y157 T158 L164 W165	Y157-D162 HydrophobicContact CD1-CB 4.17Å; Y157-D162 HydrophobicContact CE1-CB 3.74Å; Y157-D162 PolarHBondContact O-N 3.22Å; T158-D162 VanDerWaalsContact CA-O 3.26Å; T158-D162 WeakPolarHBondContact CA-O 3.11Å; T158-D162 WeakPolarHBondContact CG2-O 3.47Å; D162-L164 PolarHBondContact O-N 2.84Å; D162-L164 PolarHBondContact OD1-N 2.71Å; D162-W165 HydrophobicContact CB-CB 4.23Å; D162-W165 VanDerWaalsContact O-CB 3.24Å; D162-W165 WeakPolarHBondContact O-CB 3.36Å; D162-W165 PolarHBondContact O-N 2.8Å
163	R	98.8	Very high	98.3	Very high	52 Å²	52	40.4 Å²	40.4	20%	0.196	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.7	-179.7	179.6	55.7	-174	78.3	-1.1	113.8	R110 W112 T158 F319 V320	R110-R163 WeakPolarHBondContact CB-O 3.38Å; R110-R163 PolarHBondContact O-NH1 3.09Å; W112-R163 VanDerWaalsContact CE2-CZ 3.48Å; W112-R163 VanDerWaalsContact CE3-NH2 3.32Å; W112-R163 VanDerWaalsContact CG-NH2 3.33Å; W112-R163 VanDerWaalsContact CH2-CD 3.47Å; W112-R163 VanDerWaalsContact CH2-NE 3.3Å; T158-R163 WeakPolarHBondContact O-CA 3.37Å; R163-F319 PolarHBondContact NH2-O 3.39Å; R163-V320 HydrophobicContact CG-CG1 4.47Å
164	L	98.7	Very high	97.9	Very high	87 Å²	87	48.9 Å²	48.9	46%	0.455	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.1	-177.5	-60.6	-177.6	0	0	0	113.2	R110 D162 F319 V320	R110-L164 WeakPolarHBondContact CD-O 3.43Å; R110-L164 PolarHBondContact NH1-O 2.54Å; D162-L164 PolarHBondContact O-N 2.84Å; D162-L164 PolarHBondContact OD1-N 2.71Å; L164-F319 HydrophobicContact CD2-CB 4.43Å; L164-V320 HydrophobicContact CD2-CG1 4.48Å
165	W	98.9	Very high	97.5	Very high	33 Å²	33	50.4 Å²	50.4	13%	0.125	27%	0.266	C	S	.	.			trans	-60.8	138.1	172.5	-169.3	-98	0	0	0	111.5	A109 R110 Y157 T158 D162 K167 S168 F178	A109-W165 WeakPolarHBondContact CB-O 3.28Å; R110-W165 VanDerWaalsContact CB-O 3.24Å; R110-W165 WeakPolarHBondContact CB-O 3.47Å; R110-W165 PolarHBondContact N-O 3.01Å; Y157-W165 HydrophobicContact CD1-CB 3.69Å; Y157-W165 AromaticContact CD1-CD1 3.97Å; Y157-W165 AromaticContact CD1-CD2 3.73Å; Y157-W165 HydrophobicContact CD1-CD2 3.73Å; Y157-W165 HydrophobicContact CD1-CE3 4.14Å; Y157-W165 AromaticContact CD1-CG 3.51Å; Y157-W165 HydrophobicContact CD1-CG 3.51Å; Y157-W165 HydrophobicContact CE1-CB 4.26Å; Y157-W165 AromaticContact CE1-CD2 3.8Å; Y157-W165 HydrophobicContact CE1-CD2 3.8Å; Y157-W165 AromaticContact CE1-CE3 3.72Å; Y157-W165 HydrophobicContact CE1-CE3 3.72Å; Y157-W165 HydrophobicContact CE1-CG 4.04Å; Y157-W165 HydrophobicContact CE1-CZ3 4.37Å; T158-W165 HydrophobicContact CG2-CB 3.89Å; T158-W165 WeakPolarHBondContact CG2-O 3.42Å; D162-W165 HydrophobicContact CB-CB 4.23Å; D162-W165 VanDerWaalsContact O-CB 3.24Å; D162-W165 WeakPolarHBondContact O-CB 3.36Å; D162-W165 PolarHBondContact O-N 2.8Å; W165-K167 VanDerWaalsContact CD1-O 3.22Å; W165-K167 HydrophobicContact CZ2-CB 4.29Å; W165-K167 PolarHBondContact NE1-O 2.87Å; W165-S168 PolarHBondContact NE1-O 3.43Å; W165-F178 HydrophobicContact CH2-CB 4.03Å; W165-F178 WeakPolarHBondContact CH2-O 3.48Å; W165-F178 HydrophobicContact CZ2-CB 4.14Å; W165-F178 WeakPolarHBondContact CZ2-O 3.15Å
166	R	98.8	Very high	97.2	Very high	18 Å²	18	55.2 Å²	55.2	7%	0.068	30%	0.295	C	S	.	.			trans	-113.9	-46.7	-173.8	176.3	-175.8	168.3	74.6	3.2	112.9	H108 A109 E111 N151 D181	H108-R166 WeakPolarHBondContact CA-O 3.46Å; H108-R166 HydrophobicContact CB-CG 4.07Å; H108-R166 VanDerWaalsContact CD2-CZ 3.47Å; H108-R166 PolarHBondContact CE1-NH1 3.09Å; H108-R166 PolarHBondContact CE1-NH2 2.88Å; H108-R166 VanDerWaalsContact CG-NH1 3.26Å; H108-R166 PolarHBondContact ND1-NH1 3.4Å; H108-R166 VanDerWaalsContact NE2-CZ 3.26Å; H108-R166 PolarHBondContact NE2-NH1 3.49Å; H108-R166 PolarHBondContact NE2-NH2 3.44Å; A109-R166 PolarHBondContact N-O 3.1Å; E111-R166 IonicContact OE1-NH1 3.72Å; N151-R166 PolarHBondContact ND2-O 3.37Å; R166-D181 IonicContact CZ-OD2 3.97Å; R166-D181 IonicContact NE-OD2 3.66Å; R166-D181 PolarHBondContact NE-OD2 3.27Å; R166-D181 IonicContact NH2-OD1 3.76Å; R166-D181 PolarHBondContact NH2-OD1 3.42Å; R166-D181 IonicContact NH2-OD2 3.57Å; R166-D181 PolarHBondContact NH2-OD2 3.22Å
167	K	98.9	Very high	97	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	29%	0.287	C	S	.	.	S	Bend	trans	-79.1	178.1	-165.7	-63.6	-167.1	-62.5	170	0	112.5	N151 W165 F178 G179 T180 D181 C199 D201	N151-K167 PolarHBondContact ND2-O 3.13Å; W165-K167 VanDerWaalsContact CD1-O 3.22Å; W165-K167 HydrophobicContact CZ2-CB 4.29Å; W165-K167 PolarHBondContact NE1-O 2.87Å; K167-F178 WeakPolarHBondContact CE-O 3.36Å; K167-F178 PolarHBondContact NZ-O 3.3Å; K167-G179 WeakPolarHBondContact CD-O 3.41Å; K167-G179 WeakPolarHBondContact CE-O 3.24Å; K167-G179 PolarHBondContact NZ-O 2.92Å; K167-T180 WeakPolarHBondContact CA-O 3.39Å; K167-T180 VanDerWaalsContact CB-O 3.32Å; K167-T180 WeakPolarHBondContact CB-O 3.5Å; K167-D181 HydrophobicContact CG-CB 4.49Å; K167-C199 PolarHBondContact NZ-O 2.85Å; K167-D201 PolarHBondContact NZ-O 2.02Å
168	S	98.8	Very high	97	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.			trans	-63.3	-171	163.7	66.5	0	0	0	0	111.6	W165 S170 G179 T180 E212	W165-S168 PolarHBondContact NE1-O 3.43Å; S168-S170 PolarHBondContact OG-OG 3.41Å; S168-G179 WeakPolarHBondContact O-CA 3.38Å; S168-G179 WeakPolarHBondContact OG-CA 3.44Å; S168-T180 PolarHBondContact N-O 3.03Å; S168-T180 PolarHBondContact OG-N 3.31Å; S168-T180 PolarHBondContact OG-O 3.07Å; S168-E212 PolarHBondContact OG-OE2 3.31Å
169	R	98.7	Very high	97	Very high	23 Å²	23	54.3 Å²	54.3	9%	0.087	29%	0.292	C	S	.	.			trans	-119.5	11.5	179.1	-68.3	-60.4	-54.3	151.1	7.7	114.7	E81 D153	E81-R169 HydrophobicContact CG-CB 4.19Å; E81-R169 WeakPolarHBondContact OE1-CB 3.49Å; E81-R169 IonicContact OE1-NE 2.71Å; D153-R169 HydrophobicContact CB-CB 3.7Å; D153-R169 HydrophobicContact CB-CG 3.6Å
170	S	98.3	Very high	97	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	28%	0.276	C	S	.	.			trans	-61.1	136.9	174.3	55.6	0	0	0	0	111.9	S168 H172 F178 G179 E212	S168-S170 PolarHBondContact OG-OG 3.41Å; S170-H172 PolarHBondContact OG-NE2 2.9Å; S170-F178 CarbonylContact O-C 3.54Å; S170-F178 VanDerWaalsContact O-CA 3.31Å; S170-F178 WeakPolarHBondContact O-CA 3.26Å; S170-G179 PolarHBondContact O-N 2.83Å; S170-E212 WeakPolarHBondContact CB-OE2 3.32Å; S170-E212 PolarHBondContact OG-OE2 3.44Å
171	P	97.9	Very high	97	Very high	46 Å²	46	45.3 Å²	45.3	30%	0.299	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.3	176.9	32.5	-33.1	0	0	0	110.9	Y80 F178	Y80-P171 HydrophobicContact CE1-CG 4.05Å; Y80-P171 HydrophobicContact CE2-CG 4.44Å; Y80-P171 WeakPolarHBondContact OH-CD 3.33Å; Y80-P171 WeakPolarHBondContact OH-CG 3.39Å; P171-F178 HydrophobicContact CB-CD1 4.03Å; P171-F178 HydrophobicContact CB-CE1 3.84Å
172	H	96.5	Very high	97	Very high	22 Å²	22	41 Å²	41	10%	0.102	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	163.5	174.9	-56.7	-67.1	0	0	0	110.2	S170 N174 G175 T176 C177 T180 C199 F204 E212	S170-H172 PolarHBondContact OG-NE2 2.9Å; H172-N174 VanDerWaalsContact C-N 3.35Å; H172-N174 PolarHBondContact O-N 3.41Å; H172-G175 PolarHBondContact O-N 3.31Å; H172-T176 PolarHBondContact O-N 2.76Å; H172-C177 VanDerWaalsContact C-SG 3.6Å; H172-C177 VanDerWaalsContact CB-SG 3.56Å; H172-C177 PolarHBondContact N-O 2.69Å; H172-C177 PolarHBondContact O-N 3.22Å; H172-C177 PolarHBondContact O-SG 3.41Å; H172-T180 PolarHBondContact NE2-OG1 2.99Å; H172-C199 HydrophobicContact CB-CB 3.87Å; H172-F204 AromaticContact CD2-CE1 3.63Å; H172-F204 AromaticContact CE1-CE1 3.85Å; H172-F204 AromaticContact CG-CE1 3.91Å; H172-F204 AromaticContact NE2-CE1 3.58Å; H172-E212 IonicContact CE1-OE1 2.64Å
173	N	92.5	Very high	97	Very high	107 Å²	107	38.3 Å²	38.3	57%	0.572	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	46.1	55.3	-178.3	-67.7	-6.3	0	0	0	112.7	G175 T176 C199	N173-G175 PolarHBondContact O-N 2.93Å; N173-T176 WeakPolarHBondContact CB-OG1 3.25Å; N173-T176 WeakPolarHBondContact O-CG2 3.47Å; N173-T176 PolarHBondContact O-N 2.96Å; N173-T176 PolarHBondContact O-OG1 2.85Å; N173-C199 PolarHBondContact ND2-SG 3.06Å
174	N	91.4	Very high	97	Very high	178 Å²	178	36 Å²	36	95%	0.952	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	53.9	34	-177.5	-59.9	-21.1	0	0	0	114	H172	H172-N174 VanDerWaalsContact C-N 3.35Å; H172-N174 PolarHBondContact O-N 3.41Å
175	G	89.8	Confident	97.1	Very high	32 Å²	32	31.9 Å²	31.9	33%	0.33	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	86	13.7	176.6	0	0	0	0	0	114.9	H172 N173 F178	H172-G175 PolarHBondContact O-N 3.31Å; N173-G175 PolarHBondContact O-N 2.93Å; G175-F178 VanDerWaalsContact O-CE2 3.28Å; G175-F178 WeakPolarHBondContact O-CE2 3.39Å; G175-F178 WeakPolarHBondContact O-CZ 3.44Å
176	T	92.4	Very high	97.1	Very high	103 Å²	103	30.3 Å²	30.3	63%	0.632	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.9	176.9	56.7	0	0	0	0	113.4	H172 N173	H172-T176 PolarHBondContact O-N 2.76Å; N173-T176 WeakPolarHBondContact CB-OG1 3.25Å; N173-T176 WeakPolarHBondContact O-CG2 3.47Å; N173-T176 PolarHBondContact O-N 2.96Å; N173-T176 PolarHBondContact O-OG1 2.85Å
177	C	95.1	Very high	97	Very high	7 Å²	7	34 Å²	34	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.8	175.5	49.2	0	0	0	0	109.5	H172 C199 Q200	H172-C177 VanDerWaalsContact C-SG 3.6Å; H172-C177 VanDerWaalsContact CB-SG 3.56Å; H172-C177 PolarHBondContact N-O 2.69Å; H172-C177 PolarHBondContact O-N 3.22Å; H172-C177 PolarHBondContact O-SG 3.41Å; C177-C199 HydrophobicContact CB-CB 3.83Å; C177-C199 WeakPolarHBondContact CB-SG 3.49Å; C177-C199 WeakPolarHBondContact SG-CB 3.43Å; C177-C199 CovalentContact SG-SG 2.01Å; C177-C199 PolarHBondContact SG-SG 3.4Å; C177-Q200 HydrophobicContact CB-CG 4.16Å
178	F	98.2	Very high	97	Very high	77 Å²	77	33.8 Å²	33.8	34%	0.338	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145	-175.1	-63.9	-95.3	0	0	0	111.2	W165 K167 S170 P171 G175	W165-F178 HydrophobicContact CH2-CB 4.03Å; W165-F178 WeakPolarHBondContact CH2-O 3.48Å; W165-F178 HydrophobicContact CZ2-CB 4.14Å; W165-F178 WeakPolarHBondContact CZ2-O 3.15Å; K167-F178 WeakPolarHBondContact CE-O 3.36Å; K167-F178 PolarHBondContact NZ-O 3.3Å; S170-F178 CarbonylContact O-C 3.54Å; S170-F178 VanDerWaalsContact O-CA 3.31Å; S170-F178 WeakPolarHBondContact O-CA 3.26Å; P171-F178 HydrophobicContact CB-CD1 4.03Å; P171-F178 HydrophobicContact CB-CE1 3.84Å; G175-F178 VanDerWaalsContact O-CE2 3.28Å; G175-F178 WeakPolarHBondContact O-CE2 3.39Å; G175-F178 WeakPolarHBondContact O-CZ 3.44Å
179	G	98.6	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.			trans	81.5	147	170.1	0	0	0	0	0	114.8	K167 S168 S170	K167-G179 WeakPolarHBondContact CD-O 3.41Å; K167-G179 WeakPolarHBondContact CE-O 3.24Å; K167-G179 PolarHBondContact NZ-O 2.92Å; S168-G179 WeakPolarHBondContact O-CA 3.38Å; S168-G179 WeakPolarHBondContact OG-CA 3.44Å; S170-G179 PolarHBondContact O-N 2.83Å
180	T	98.9	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.			trans	-109.1	143.9	166.3	-68.9	0	0	0	0	109.3	K167 S168 H172 L182 N185 G206 E212	K167-T180 WeakPolarHBondContact CA-O 3.39Å; K167-T180 VanDerWaalsContact CB-O 3.32Å; K167-T180 WeakPolarHBondContact CB-O 3.5Å; S168-T180 PolarHBondContact N-O 3.03Å; S168-T180 PolarHBondContact OG-N 3.31Å; S168-T180 PolarHBondContact OG-O 3.07Å; H172-T180 PolarHBondContact NE2-OG1 2.99Å; T180-L182 PolarHBondContact O-N 3.02Å; T180-L182 VanDerWaalsContact O-N 3.09Å; T180-N185 HydrophobicContact CG2-CB 3.89Å; T180-G206 WeakPolarHBondContact OG1-CA 3.43Å; T180-E212 WeakPolarHBondContact CB-OE1 3.17Å; T180-E212 WeakPolarHBondContact CB-OE2 3.47Å; T180-E212 HydrophobicContact CG2-CG 3.6Å; T180-E212 PolarHBondContact OG1-OE1 2.85Å
181	D	98.9	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.			trans	-69.4	104.1	166.5	-172.8	-22.1	0	0	0	108.2	H108 R166 K167 N183 R184 N185 Q202 F204	H108-D181 IonicContact CD2-OD1 3.8Å; H108-D181 IonicContact NE2-OD1 2.68Å; H108-D181 PolarHBondContact NE2-OD1 3.47Å; R166-D181 IonicContact CZ-OD2 3.97Å; R166-D181 IonicContact NE-OD2 3.66Å; R166-D181 PolarHBondContact NE-OD2 3.27Å; R166-D181 IonicContact NH2-OD1 3.76Å; R166-D181 PolarHBondContact NH2-OD1 3.42Å; R166-D181 IonicContact NH2-OD2 3.57Å; R166-D181 PolarHBondContact NH2-OD2 3.22Å; K167-D181 HydrophobicContact CG-CB 4.49Å; D181-N183 PolarHBondContact O-N 3.15Å; D181-N183 VanDerWaalsContact O-N 3.14Å; D181-N183 PolarHBondContact OD1-N 2.91Å; D181-R184 HydrophobicContact CB-CB 4.07Å; D181-R184 HydrophobicContact CB-CG 3.86Å; D181-R184 WeakPolarHBondContact O-CA 3.48Å; D181-R184 PolarHBondContact O-N 3.38Å; D181-N185 PolarHBondContact O-N 3.41Å; D181-Q202 WeakPolarHBondContact CB-O 3.31Å; D181-F204 WeakPolarHBondContact CB-O 3.43Å; D181-F204 PolarHBondContact N-O 3.3Å
182	L	98.9	Very high	97	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.5	-29.1	-177.3	-62.5	-175.4	0	0	0	111.9	I107 L150 N151 T180 R184 N185 F186 E212 E214 T215	I107-L182 HydrophobicContact CD1-CB 4.02Å; I107-L182 HydrophobicContact CG1-CB 3.56Å; I107-L182 HydrophobicContact CG1-CD1 4.38Å; L150-L182 HydrophobicContact CD2-CD1 3.48Å; L150-L182 VanDerWaalsContact CD2-CD1 3.48Å; N151-L182 HydrophobicContact CB-CD1 3.65Å; T180-L182 PolarHBondContact O-N 3.02Å; T180-L182 VanDerWaalsContact O-N 3.09Å; L182-R184 PolarHBondContact O-N 3.18Å; L182-N185 PolarHBondContact O-N 2.96Å; L182-F186 VanDerWaalsContact O-CD2 3.29Å; L182-F186 WeakPolarHBondContact O-CD2 3.04Å; L182-F186 WeakPolarHBondContact O-CE2 3.02Å; L182-E212 HydrophobicContact CD2-CB 3.54Å; L182-E212 HydrophobicContact CD2-CG 3.63Å; L182-E214 HydrophobicContact CD1-CB 4.13Å; L182-T215 HydrophobicContact CB-CG2 3.92Å; L182-T215 HydrophobicContact CD2-CG2 3.68Å; L182-T215 HydrophobicContact CG-CG2 4.34Å
183	N	98.9	Very high	97.1	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.048	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-89.6	18.4	176.4	-153.4	23.2	0	0	0	113.2	I107 H108 D181 H236 G292 S293 S294	I107-N183 HydrophobicContact CD1-CB 3.91Å; I107-N183 HydrophobicContact CG1-CB 4.45Å; H108-N183 VanDerWaalsContact NE2-CB 3.27Å; H108-N183 WeakPolarHBondContact NE2-CB 3.3Å; D181-N183 PolarHBondContact O-N 3.15Å; D181-N183 VanDerWaalsContact O-N 3.14Å; D181-N183 PolarHBondContact OD1-N 2.91Å; N183-H236 PolarHBondContact ND2-CE1 2.8Å; N183-H236 VanDerWaalsContact ND2-CE1 3.29Å; N183-H236 PolarHBondContact ND2-NE2 3.46Å; N183-G292 CarbonylContact C-O 3.56Å; N183-G292 VanDerWaalsContact C-O 3.28Å; N183-G292 CarbonylContact O-C 3.54Å; N183-S293 WeakPolarHBondContact O-CA 3.41Å; N183-S293 WeakPolarHBondContact OD1-CA 3.25Å; N183-S293 WeakPolarHBondContact OD1-CB 3.48Å; N183-S294 PolarHBondContact OD1-N 3.47Å; N183-S294 PolarHBondContact OD1-OG 2.95Å
184	R	98.9	Very high	97.3	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.015	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-122	0.5	162.7	-61	-60.8	-177.8	-85	-5.7	112.2	D181 L182 G194 A195 C205 Y288 S291 G292	D181-R184 HydrophobicContact CB-CB 4.07Å; D181-R184 HydrophobicContact CB-CG 3.86Å; D181-R184 WeakPolarHBondContact O-CA 3.48Å; D181-R184 PolarHBondContact O-N 3.38Å; L182-R184 PolarHBondContact O-N 3.18Å; R184-G194 PolarHBondContact NE-O 2.73Å; R184-A195 HydrophobicContact CB-CB 4.26Å; R184-A195 HydrophobicContact CG-CB 4.19Å; R184-C205 HydrophobicContact CB-CB 4.16Å; R184-Y288 PolarHBondContact NH2-OH 2.82Å; R184-Y288 VanDerWaalsContact NH2-OH 3.14Å; R184-S291 WeakPolarHBondContact CD-O 3.47Å; R184-G292 CarbonylContact C-O 3.52Å; R184-G292 VanDerWaalsContact C-O 3.24Å; R184-G292 WeakPolarHBondContact CA-O 3.4Å; R184-G292 PolarHBondContact N-O 3.45Å
185	N	98.9	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.193	C	C	.	.			trans	-99.3	-11.9	-171	-162.5	-119.1	0	0	0	113.4	T180 D181 L182 C205 G208 P209 V210 S211 E212 T215 G292	T180-N185 HydrophobicContact CG2-CB 3.89Å; D181-N185 PolarHBondContact O-N 3.41Å; L182-N185 PolarHBondContact O-N 2.96Å; N185-C205 PolarHBondContact ND2-O 2.84Å; N185-G208 PolarHBondContact ND2-O 2.89Å; N185-P209 CarbonylContact O-C 3.6Å; N185-P209 WeakPolarHBondContact O-CA 3.42Å; N185-V210 PolarHBondContact O-N 3.16Å; N185-V210 WeakPolarHBondContact OD1-CA 3.41Å; N185-V210 PolarHBondContact OD1-N 2.87Å; N185-S211 PolarHBondContact ND2-OG 3.31Å; N185-S211 PolarHBondContact OD1-N 2.83Å; N185-E212 HydrophobicContact CB-CG 4.49Å; N185-E212 WeakPolarHBondContact OD1-CG 3.41Å; N185-E212 PolarHBondContact OD1-N 2.76Å; N185-E212 VanDerWaalsContact OD1-N 3.1Å; N185-T215 HydrophobicContact CB-CG2 3.94Å; N185-T215 PolarHBondContact OD1-OG1 2.72Å; N185-G292 PolarHBondContact N-O 2.93Å
186	F	98.9	Very high	98	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-71.5	157.5	178.4	-70.2	-98.2	0	0	0	112.5	I107 L182 A188 T215 V218 A219 G292 W297	I107-F186 HydrophobicContact CD1-CE2 3.94Å; L182-F186 VanDerWaalsContact O-CD2 3.29Å; L182-F186 WeakPolarHBondContact O-CD2 3.04Å; L182-F186 WeakPolarHBondContact O-CE2 3.02Å; F186-A188 PolarHBondContact O-N 3.17Å; F186-T215 HydrophobicContact CD2-CG2 4.31Å; F186-T215 HydrophobicContact CE2-CG2 3.76Å; F186-T215 HydrophobicContact CZ-CG2 4.08Å; F186-V218 HydrophobicContact CE1-CG1 4.32Å; F186-V218 HydrophobicContact CZ-CG1 4.4Å; F186-A219 HydrophobicContact CE1-CB 4.42Å; F186-G292 WeakPolarHBondContact CB-O 3.39Å; F186-G292 PolarHBondContact N-O 3.34Å; F186-G292 VanDerWaalsContact O-CA 3.24Å; F186-G292 WeakPolarHBondContact O-CA 3.37Å; F186-W297 HydrophobicContact CB-CB 3.72Å; F186-W297 HydrophobicContact CB-CD2 4.48Å; F186-W297 HydrophobicContact CB-CG 3.98Å; F186-W297 HydrophobicContact CD1-CB 4.39Å; F186-W297 AromaticContact CD1-CD2 3.61Å; F186-W297 HydrophobicContact CD1-CD2 3.61Å; F186-W297 AromaticContact CD1-CE3 3.51Å; F186-W297 HydrophobicContact CD1-CE3 3.51Å; F186-W297 HydrophobicContact CD1-CG 4.01Å; F186-W297 HydrophobicContact CD1-CZ3 4.04Å; F186-W297 HydrophobicContact CE1-CD2 4.34Å; F186-W297 AromaticContact CE1-CE3 3.85Å; F186-W297 HydrophobicContact CE1-CE3 3.85Å; F186-W297 HydrophobicContact CE1-CH2 4.46Å; F186-W297 AromaticContact CE1-CZ3 3.94Å; F186-W297 HydrophobicContact CE1-CZ3 3.94Å; F186-W297 HydrophobicContact CG-CB 4.39Å; F186-W297 HydrophobicContact CG-CD2 4.44Å; F186-W297 HydrophobicContact CG-CE3 4.45Å; F186-W297 HydrophobicContact CG-CG 4.43Å
187	N	98.4	Very high	98.3	Very high	96 Å²	96	33.7 Å²	33.7	51%	0.513	18%	0.184	S	C	.	.	S	Bend	trans	-80.1	58.1	-178.6	-166.4	23.8	0	0	0	113	P209 V210	N187-P209 HydrophobicContact CB-CB 3.93Å; N187-V210 HydrophobicContact CB-CG2 4.37Å
188	A	98.4	Very high	98.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-123.8	94.6	175	0	0	0	0	0	109.8	F186 W190 Y248 G292 D296 W297	F186-A188 PolarHBondContact O-N 3.17Å; A188-W190 PolarHBondContact O-N 2.85Å; A188-Y248 HydrophobicContact CB-CD1 4.28Å; A188-Y248 HydrophobicContact CB-CE1 4.26Å; A188-G292 PolarHBondContact O-N 3.2Å; A188-D296 HydrophobicContact CB-CB 3.95Å; A188-W297 HydrophobicContact CB-CB 3.81Å
189	S	98.3	Very high	98.4	Very high	53 Å²	53	33 Å²	33	37%	0.371	18%	0.184	S	C	.	.	S	Bend	trans	51.2	40.2	-172.1	-161	0	0	0	0	112.1	C191 S192 S291	S189-C191 PolarHBondContact O-N 2.83Å; S189-S192 WeakPolarHBondContact O-CB 3.5Å; S189-S192 PolarHBondContact O-N 3.11Å; S189-S192 VanDerWaalsContact O-N 3.13Å; S189-S192 PolarHBondContact O-OG 2.64Å; S189-S192 WeakPolarHBondContact OG-CB 3.24Å; S189-S192 PolarHBondContact OG-OG 2.65Å; S189-S291 WeakPolarHBondContact O-CB 3.36Å
190	W	98.5	Very high	98.3	Very high	50 Å²	50	39.4 Å²	39.4	19%	0.189	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	126.1	-163.5	171.5	77.2	0	0	0	113.9	A188 S192 C205 G206 G208 P209	A188-W190 PolarHBondContact O-N 2.85Å; W190-S192 PolarHBondContact O-N 2.89Å; W190-C205 PolarHBondContact NE1-O 2.86Å; W190-G206 WeakPolarHBondContact CZ2-O 3.4Å; W190-G208 VanDerWaalsContact CH2-CA 3.48Å; W190-G208 PolarHBondContact NE1-O 3.41Å; W190-P209 HydrophobicContact CB-CB 3.96Å; W190-P209 HydrophobicContact CD2-CB 4.19Å; W190-P209 HydrophobicContact CD2-CG 4.45Å; W190-P209 HydrophobicContact CG-CB 3.8Å; W190-P209 HydrophobicContact CG-CG 4.49Å
191	C	98.3	Very high	98.3	Very high	14 Å²	14	42.4 Å²	42.4	10%	0.095	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	28.5	175.5	-148.5	0	0	0	0	115.3	S189 C205 S291	S189-C191 PolarHBondContact O-N 2.83Å; C191-C205 HydrophobicContact CB-CB 3.54Å; C191-C205 WeakPolarHBondContact CB-SG 3.45Å; C191-C205 WeakPolarHBondContact SG-CB 3.47Å; C191-C205 CovalentContact SG-SG 2.03Å; C191-C205 PolarHBondContact SG-SG 2.87Å; C191-S291 PolarHBondContact N-OG 3.06Å
192	S	98.1	Very high	98.3	Very high	71 Å²	71	46.4 Å²	46.4	50%	0.497	25%	0.248	S	C	.	.	S	Bend	trans	-88.7	-35	-179.6	69.5	0	0	0	0	113.7	S189 W190 S291	S189-S192 WeakPolarHBondContact O-CB 3.5Å; S189-S192 PolarHBondContact O-N 3.11Å; S189-S192 VanDerWaalsContact O-N 3.13Å; S189-S192 PolarHBondContact O-OG 2.64Å; S189-S192 WeakPolarHBondContact OG-CB 3.24Å; S189-S192 PolarHBondContact OG-OG 2.65Å; W190-S192 PolarHBondContact O-N 2.89Å; S192-S291 PolarHBondContact N-OG 3.35Å; S192-S291 VanDerWaalsContact N-OG 3.09Å; S192-S291 WeakPolarHBondContact OG-CB 3.42Å
193	I	98.1	Very high	98.2	Very high	76 Å²	76	48.5 Å²	48.5	39%	0.39	26%	0.261	S	S	.	.	S	Bend	trans	-152.2	147.2	-177.6	-169.1	163.1	0	0	0	111.4	A195 A289 S290 S291	I193-A195 PolarHBondContact O-N 2.95Å; I193-A195 VanDerWaalsContact O-N 3.13Å; I193-A289 HydrophobicContact CD1-CB 3.72Å; I193-A289 HydrophobicContact CG1-CB 4.11Å; I193-S290 CarbonylContact O-C 3.58Å; I193-S291 PolarHBondContact N-OG 3.02Å; I193-S291 VanDerWaalsContact N-OG 3.16Å; I193-S291 WeakPolarHBondContact O-CB 3.38Å; I193-S291 PolarHBondContact O-N 3.38Å; I193-S291 PolarHBondContact O-OG 3.48Å
194	G	97.3	Very high	98.2	Very high	35 Å²	35	48.7 Å²	48.7	36%	0.361	26%	0.262	S	S	.	.	S	Bend	trans	59.6	25.5	176.5	0	0	0	0	0	114.6	R184 A289	R184-G194 PolarHBondContact NE-O 2.73Å; G194-A289 WeakPolarHBondContact CA-O 3.45Å
195	A	98.2	Very high	98.2	Very high	27 Å²	27	48.5 Å²	48.5	22%	0.223	26%	0.261	C	S	.	.			trans	-141.5	162	-179.2	0	0	0	0	0	109.1	R184 I193 C205	R184-A195 HydrophobicContact CB-CB 4.26Å; R184-A195 HydrophobicContact CG-CB 4.19Å; I193-A195 PolarHBondContact O-N 2.95Å; I193-A195 VanDerWaalsContact O-N 3.13Å; A195-C205 HydrophobicContact CB-CB 4.09Å
196	S	98.4	Very high	98.2	Very high	20 Å²	20	48.7 Å²	48.7	14%	0.14	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-125.1	149.5	-178.7	-177.3	0	0	0	0	112.5	N198 D201 T203 F204 C205	S196-N198 PolarHBondContact OG-N 2.79Å; S196-D201 WeakPolarHBondContact CB-OD2 3.47Å; S196-D201 PolarHBondContact OG-OD2 2.85Å; S196-T203 PolarHBondContact N-O 2.77Å; S196-F204 CarbonylContact O-C 3.5Å; S196-F204 VanDerWaalsContact O-CA 3.31Å; S196-F204 WeakPolarHBondContact O-CA 3.46Å; S196-F204 WeakPolarHBondContact O-CD2 3.47Å; S196-C205 PolarHBondContact O-N 3.39Å; S196-C205 PolarHBondContact O-SG 2.99Å
197	R	97.9	Very high	98.1	Very high	168 Å²	168	54 Å²	54	63%	0.634	30%	0.295	S	S	*	.	S	Bend	trans	-92.6	-4.2	168.5	-63.9	-174.8	-178.1	-82.1	-5.5	112.9	F204	R197-F204 VanDerWaalsContact O-CE2 3.28Å; R197-F204 WeakPolarHBondContact O-CE2 3.46Å
198	N	97.9	Very high	98.1	Very high	66 Å²	66	50.1 Å²	50.1	35%	0.353	28%	0.278	S	S	.	.			trans	-86	119.8	173.9	179.8	6.3	0	0	0	109.8	S196 Q200 D201 F204	S196-N198 PolarHBondContact OG-N 2.79Å; N198-Q200 PolarHBondContact O-N 2.96Å; N198-Q200 VanDerWaalsContact O-N 3.16Å; N198-Q200 PolarHBondContact OD1-N 3.15Å; N198-Q200 VanDerWaalsContact OD1-N 3.09Å; N198-D201 PolarHBondContact ND2-OD1 2.88Å; N198-D201 WeakPolarHBondContact O-CB 3.43Å; N198-D201 PolarHBondContact O-N 2.87Å; N198-F204 VanDerWaalsContact C-CD2 3.41Å; N198-F204 WeakPolarHBondContact O-CB 3.39Å; N198-F204 WeakPolarHBondContact O-CD2 3.37Å
199	C	97.4	Very high	98.1	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.027	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.2	-179.4	65.3	0	0	0	0	114.6	K167 H172 N173 C177 D201 F204	K167-C199 PolarHBondContact NZ-O 2.85Å; H172-C199 HydrophobicContact CB-CB 3.87Å; N173-C199 PolarHBondContact ND2-SG 3.06Å; C177-C199 HydrophobicContact CB-CB 3.83Å; C177-C199 WeakPolarHBondContact CB-SG 3.49Å; C177-C199 WeakPolarHBondContact SG-CB 3.43Å; C177-C199 CovalentContact SG-SG 2.01Å; C177-C199 PolarHBondContact SG-SG 3.4Å; C199-D201 VanDerWaalsContact C-N 3.31Å; C199-F204 VanDerWaalsContact CA-CG 3.46Å; C199-F204 HydrophobicContact CB-CD1 4.07Å; C199-F204 HydrophobicContact CB-CD2 4.34Å; C199-F204 HydrophobicContact CB-CE1 3.98Å; C199-F204 HydrophobicContact CB-CE2 4.26Å; C199-F204 HydrophobicContact CB-CG 4.26Å; C199-F204 HydrophobicContact CB-CZ 4.08Å
200	Q	97.2	Very high	98.1	Very high	134 Å²	134	51.9 Å²	51.9	63%	0.626	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-19.8	175.3	-65.4	175.9	-13.3	0	0	112.3	C177 N198	C177-Q200 HydrophobicContact CB-CG 4.16Å; N198-Q200 PolarHBondContact O-N 2.96Å; N198-Q200 VanDerWaalsContact O-N 3.16Å; N198-Q200 PolarHBondContact OD1-N 3.15Å; N198-Q200 VanDerWaalsContact OD1-N 3.09Å
201	D	98.3	Very high	98.2	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	29%	0.292	S	S	.	.	S	Bend	trans	-75.1	147.4	-177.7	-66.7	-11.4	0	0	0	111.3	K167 S196 N198 C199 T203 F204	K167-D201 PolarHBondContact NZ-O 2.02Å; S196-D201 WeakPolarHBondContact CB-OD2 3.47Å; S196-D201 PolarHBondContact OG-OD2 2.85Å; N198-D201 PolarHBondContact ND2-OD1 2.88Å; N198-D201 WeakPolarHBondContact O-CB 3.43Å; N198-D201 PolarHBondContact O-N 2.87Å; C199-D201 VanDerWaalsContact C-N 3.31Å; D201-T203 PolarHBondContact O-N 3.33Å; D201-F204 WeakPolarHBondContact O-CB 3.32Å; D201-F204 PolarHBondContact O-N 2.86Å
202	Q	98.3	Very high	98.2	Very high	85 Å²	85	51 Å²	51	40%	0.397	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.9	177.2	-70	-63.5	-44.2	0	0	113	D181	D181-Q202 WeakPolarHBondContact CB-O 3.31Å
203	T	98.6	Very high	98.2	Very high	45 Å²	45	49.6 Å²	49.6	28%	0.276	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	25.6	179	58.9	0	0	0	0	111.9	S196 D201 C205	S196-T203 PolarHBondContact N-O 2.77Å; D201-T203 PolarHBondContact O-N 3.33Å; T203-C205 PolarHBondContact O-N 2.99Å
204	F	98.8	Very high	98.3	Very high	13 Å²	13	46 Å²	46	6%	0.057	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-55.8	125	175	178.3	-127.1	0	0	0	110.4	H172 D181 S196 R197 N198 C199 D201 G206	H172-F204 AromaticContact CD2-CE1 3.63Å; H172-F204 AromaticContact CE1-CE1 3.85Å; H172-F204 AromaticContact CG-CE1 3.91Å; H172-F204 AromaticContact NE2-CE1 3.58Å; D181-F204 WeakPolarHBondContact CB-O 3.43Å; D181-F204 PolarHBondContact N-O 3.3Å; S196-F204 CarbonylContact O-C 3.5Å; S196-F204 VanDerWaalsContact O-CA 3.31Å; S196-F204 WeakPolarHBondContact O-CA 3.46Å; S196-F204 WeakPolarHBondContact O-CD2 3.47Å; R197-F204 VanDerWaalsContact O-CE2 3.28Å; R197-F204 WeakPolarHBondContact O-CE2 3.46Å; N198-F204 VanDerWaalsContact C-CD2 3.41Å; N198-F204 WeakPolarHBondContact O-CB 3.39Å; N198-F204 WeakPolarHBondContact O-CD2 3.37Å; C199-F204 VanDerWaalsContact CA-CG 3.46Å; C199-F204 HydrophobicContact CB-CD1 4.07Å; C199-F204 HydrophobicContact CB-CD2 4.34Å; C199-F204 HydrophobicContact CB-CE1 3.98Å; C199-F204 HydrophobicContact CB-CE2 4.26Å; C199-F204 HydrophobicContact CB-CG 4.26Å; C199-F204 HydrophobicContact CB-CZ 4.08Å; D201-F204 WeakPolarHBondContact O-CB 3.32Å; D201-F204 PolarHBondContact O-N 2.86Å; F204-G206 VanDerWaalsContact C-N 3.35Å; F204-G206 PolarHBondContact O-N 2.85Å
205	C	98.6	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.			trans	-86.5	-1.1	-171.4	65.3	0	0	0	0	114.7	R184 N185 W190 C191 A195 S196 T203	R184-C205 HydrophobicContact CB-CB 4.16Å; N185-C205 PolarHBondContact ND2-O 2.84Å; W190-C205 PolarHBondContact NE1-O 2.86Å; C191-C205 HydrophobicContact CB-CB 3.54Å; C191-C205 WeakPolarHBondContact CB-SG 3.45Å; C191-C205 WeakPolarHBondContact SG-CB 3.47Å; C191-C205 CovalentContact SG-SG 2.03Å; C191-C205 PolarHBondContact SG-SG 2.87Å; A195-C205 HydrophobicContact CB-CB 4.09Å; S196-C205 PolarHBondContact O-N 3.39Å; S196-C205 PolarHBondContact O-SG 2.99Å; T203-C205 PolarHBondContact O-N 2.99Å
206	G	98.4	Very high	98.4	Very high	4 Å²	4	49 Å²	49	4%	0.041	26%	0.258	C	S	.	.			trans	89.2	-178.2	-176.5	0	0	0	0	0	113.2	T180 W190 F204 G208	T180-G206 WeakPolarHBondContact OG1-CA 3.43Å; W190-G206 WeakPolarHBondContact CZ2-O 3.4Å; F204-G206 VanDerWaalsContact C-N 3.35Å; F204-G206 PolarHBondContact O-N 2.85Å; G206-G208 VanDerWaalsContact C-N 3.33Å
207	T	97.7	Very high	98.4	Very high	110 Å²	110	48.8 Å²	48.8	68%	0.675	26%	0.257	S	S	*	.	S	Bend	trans	-82.1	-14.9	-178.9	53.8	0	0	0	0	113.1	S211	T207-S211 PolarHBondContact N-OG 2.78Å; T207-S211 WeakPolarHBondContact OG1-CB 3.44Å
208	G	98.4	Very high	98.4	Very high	15 Å²	15	40.8 Å²	40.8	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	-168.1	169.8	178.5	0	0	0	0	0	110.2	N185 W190 G206 V210 S211	N185-G208 PolarHBondContact ND2-O 2.89Å; W190-G208 VanDerWaalsContact CH2-CA 3.48Å; W190-G208 PolarHBondContact NE1-O 3.41Å; G206-G208 VanDerWaalsContact C-N 3.33Å; G208-V210 PolarHBondContact O-N 3.11Å; G208-S211 WeakPolarHBondContact O-CB 3.31Å; G208-S211 PolarHBondContact O-N 3Å; G208-S211 PolarHBondContact O-OG 2.84Å
209	P	98.4	Very high	98.5	Very high	57 Å²	57	37.8 Å²	37.8	37%	0.37	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	132.7	168	28.2	-32.6	0	0	0	108.9	N185 N187 W190 S211	N185-P209 CarbonylContact O-C 3.6Å; N185-P209 WeakPolarHBondContact O-CA 3.42Å; N187-P209 HydrophobicContact CB-CB 3.93Å; W190-P209 HydrophobicContact CB-CB 3.96Å; W190-P209 HydrophobicContact CD2-CB 4.19Å; W190-P209 HydrophobicContact CD2-CG 4.45Å; W190-P209 HydrophobicContact CG-CB 3.8Å; W190-P209 HydrophobicContact CG-CG 4.49Å; P209-S211 PolarHBondContact O-N 3.21Å
210	V	98.3	Very high	98.5	Very high	34 Å²	34	40.8 Å²	40.8	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	37.4	177.5	-163.3	0	0	0	0	110.8	N185 N187 G208 E212 K216 A219	N185-V210 PolarHBondContact O-N 3.16Å; N185-V210 WeakPolarHBondContact OD1-CA 3.41Å; N185-V210 PolarHBondContact OD1-N 2.87Å; N187-V210 HydrophobicContact CB-CG2 4.37Å; G208-V210 PolarHBondContact O-N 3.11Å; V210-E212 VanDerWaalsContact C-N 3.33Å; V210-K216 HydrophobicContact CG1-CB 3.75Å; V210-K216 HydrophobicContact CG1-CG 4.18Å; V210-A219 HydrophobicContact CG1-CB 3.91Å; V210-A219 HydrophobicContact CG2-CB 4.42Å
211	S	98.6	Very high	98.6	Very high	40 Å²	40	35.9 Å²	35.9	28%	0.28	21%	0.209	S	C	.	.			trans	-71.9	-29	177.6	62.7	0	0	0	0	112.6	N185 T207 G208 P209	N185-S211 PolarHBondContact ND2-OG 3.31Å; N185-S211 PolarHBondContact OD1-N 2.83Å; T207-S211 PolarHBondContact N-OG 2.78Å; T207-S211 WeakPolarHBondContact OG1-CB 3.44Å; G208-S211 WeakPolarHBondContact O-CB 3.31Å; G208-S211 PolarHBondContact O-N 3Å; G208-S211 PolarHBondContact O-OG 2.84Å; P209-S211 PolarHBondContact O-N 3.21Å
212	E	98.9	Very high	98.6	Very high	5 Å²	5	33 Å²	33	2%	0.023	19%	0.193	C	C	.	.	S	Bend	trans	-84	133.7	-175.1	-55	-61.7	114.4	0	0	110.5	S168 S170 H172 T180 L182 N185 V210 E214 T215 K216	S168-E212 PolarHBondContact OG-OE2 3.31Å; S170-E212 WeakPolarHBondContact CB-OE2 3.32Å; S170-E212 PolarHBondContact OG-OE2 3.44Å; H172-E212 IonicContact CE1-OE1 2.64Å; T180-E212 WeakPolarHBondContact CB-OE1 3.17Å; T180-E212 WeakPolarHBondContact CB-OE2 3.47Å; T180-E212 HydrophobicContact CG2-CG 3.6Å; T180-E212 PolarHBondContact OG1-OE1 2.85Å; L182-E212 HydrophobicContact CD2-CB 3.54Å; L182-E212 HydrophobicContact CD2-CG 3.63Å; N185-E212 HydrophobicContact CB-CG 4.49Å; N185-E212 WeakPolarHBondContact OD1-CG 3.41Å; N185-E212 PolarHBondContact OD1-N 2.76Å; N185-E212 VanDerWaalsContact OD1-N 3.1Å; V210-E212 VanDerWaalsContact C-N 3.33Å; E212-E214 PolarHBondContact O-N 3.46Å; E212-E214 VanDerWaalsContact O-N 3.16Å; E212-T215 HydrophobicContact CB-CG2 4.29Å; E212-T215 PolarHBondContact O-N 2.94Å; E212-T215 VanDerWaalsContact O-N 3.15Å; E212-T215 PolarHBondContact O-OG1 3.27Å; E212-K216 WeakPolarHBondContact O-CB 3.13Å; E212-K216 PolarHBondContact O-N 2.93Å
213	P	98.9	Very high	98.7	Very high	42 Å²	42	33.1 Å²	33.1	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-58.5	-32	-177.2	24.5	-33.5	0	0	0	112.7	K216 A217	P213-K216 PolarHBondContact O-N 3.48Å; P213-A217 WeakPolarHBondContact O-CB 3.27Å; P213-A217 PolarHBondContact O-N 3.24Å
214	E	98.9	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-49.2	177	-54.6	80.9	-179.5	0	0	111.6	T79 Y80 M85 L150 L182 E212 K216 A217 V218	T79-E214 WeakPolarHBondContact CA-OE1 3.38Å; T79-E214 VanDerWaalsContact CB-OE1 3.31Å; T79-E214 WeakPolarHBondContact CB-OE1 3.33Å; T79-E214 HydrophobicContact CG2-CG 3.78Å; Y80-E214 PolarHBondContact N-OE1 3.43Å; M85-E214 HydrophobicContact CE-CB 4.02Å; M85-E214 HydrophobicContact CE-CG 4.5Å; M85-E214 HydrophobicContact SD-CB 4.03Å; M85-E214 HydrophobicContact SD-CG 4.08Å; L150-E214 HydrophobicContact CD2-CB 3.91Å; L182-E214 HydrophobicContact CD1-CB 4.13Å; E212-E214 PolarHBondContact O-N 3.46Å; E212-E214 VanDerWaalsContact O-N 3.16Å; E214-K216 VanDerWaalsContact C-N 3.28Å; E214-K216 PolarHBondContact O-N 3.27Å; E214-A217 PolarHBondContact O-N 2.93Å; E214-V218 PolarHBondContact O-N 3.48Å
215	T	98.8	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-36.1	175.6	62.9	0	0	0	0	111.5	L182 N185 F186 E212 V218 A219	L182-T215 HydrophobicContact CB-CG2 3.92Å; L182-T215 HydrophobicContact CD2-CG2 3.68Å; L182-T215 HydrophobicContact CG-CG2 4.34Å; N185-T215 HydrophobicContact CB-CG2 3.94Å; N185-T215 PolarHBondContact OD1-OG1 2.72Å; F186-T215 HydrophobicContact CD2-CG2 4.31Å; F186-T215 HydrophobicContact CE2-CG2 3.76Å; F186-T215 HydrophobicContact CZ-CG2 4.08Å; E212-T215 HydrophobicContact CB-CG2 4.29Å; E212-T215 PolarHBondContact O-N 2.94Å; E212-T215 VanDerWaalsContact O-N 3.15Å; E212-T215 PolarHBondContact O-OG1 3.27Å; T215-V218 PolarHBondContact O-N 3.43Å; T215-A219 WeakPolarHBondContact O-CB 3.24Å; T215-A219 PolarHBondContact O-N 2.78Å
216	K	98.9	Very high	98.6	Very high	126 Å²	126	41.8 Å²	41.8	55%	0.548	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-42.3	177.8	-171.5	177	179.4	178.6	0	112.3	V210 E212 P213 E214 S220	V210-K216 HydrophobicContact CG1-CB 3.75Å; V210-K216 HydrophobicContact CG1-CG 4.18Å; E212-K216 WeakPolarHBondContact O-CB 3.13Å; E212-K216 PolarHBondContact O-N 2.93Å; P213-K216 PolarHBondContact O-N 3.48Å; E214-K216 VanDerWaalsContact C-N 3.28Å; E214-K216 PolarHBondContact O-N 3.27Å; K216-S220 WeakPolarHBondContact O-CB 3.23Å; K216-S220 PolarHBondContact O-N 3.07Å; K216-S220 PolarHBondContact O-OG 2.72Å
217	A	98.8	Very high	98.6	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-48.6	176.9	0	0	0	0	0	111.2	L76 M85 P213 E214 F221	L76-A217 HydrophobicContact CG-CB 4.19Å; M85-A217 HydrophobicContact CE-CB 4.5Å; M85-A217 HydrophobicContact SD-CB 4.14Å; P213-A217 WeakPolarHBondContact O-CB 3.27Å; P213-A217 PolarHBondContact O-N 3.24Å; E214-A217 PolarHBondContact O-N 2.93Å; A217-F221 WeakPolarHBondContact O-CB 3.26Å; A217-F221 PolarHBondContact O-N 3.16Å
218	V	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-49.8	177	173.6	0	0	0	0	111.4	L76 M85 W102 L147 L150 F186 E214 T215 S220 F221 V222	L76-V218 HydrophobicContact CD2-CG2 4.03Å; M85-V218 HydrophobicContact CE-CG2 4.38Å; W102-V218 HydrophobicContact CZ2-CG1 3.87Å; W102-V218 HydrophobicContact CZ2-CG2 4.23Å; L147-V218 HydrophobicContact CD2-CG2 3.76Å; L150-V218 HydrophobicContact CD1-CG2 3.82Å; L150-V218 HydrophobicContact CG-CG2 4.02Å; F186-V218 HydrophobicContact CE1-CG1 4.32Å; F186-V218 HydrophobicContact CZ-CG1 4.4Å; E214-V218 PolarHBondContact O-N 3.48Å; T215-V218 PolarHBondContact O-N 3.43Å; V218-S220 PolarHBondContact O-N 3.02Å; V218-F221 PolarHBondContact O-N 3.33Å; V218-V222 HydrophobicContact CG1-CG2 4.26Å; V218-V222 WeakPolarHBondContact O-CB 3.41Å; V218-V222 WeakPolarHBondContact O-CG2 3.41Å; V218-V222 PolarHBondContact O-N 3.45Å
219	A	98.8	Very high	98.6	Very high	3 Å²	3	44.4 Å²	44.4	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-48.7	-176.6	0	0	0	0	0	111.9	F186 V210 T215 F221 E223 W297	F186-A219 HydrophobicContact CE1-CB 4.42Å; V210-A219 HydrophobicContact CG1-CB 3.91Å; V210-A219 HydrophobicContact CG2-CB 4.42Å; T215-A219 WeakPolarHBondContact O-CB 3.24Å; T215-A219 PolarHBondContact O-N 2.78Å; A219-F221 PolarHBondContact O-N 2.98Å; A219-E223 VanDerWaalsContact O-CB 3.3Å; A219-E223 WeakPolarHBondContact O-CB 3.24Å; A219-E223 WeakPolarHBondContact O-CG 3.4Å; A219-E223 PolarHBondContact O-N 3.32Å; A219-W297 VanDerWaalsContact CA-CH2 3.49Å; A219-W297 HydrophobicContact CB-CH2 4.08Å; A219-W297 HydrophobicContact CB-CZ2 3.68Å
220	S	98.7	Very high	98.6	Very high	66 Å²	66	42.5 Å²	42.5	46%	0.462	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-43.5	-179.5	-54.5	0	0	0	0	111.7	K216 V218 S224	K216-S220 WeakPolarHBondContact O-CB 3.23Å; K216-S220 PolarHBondContact O-N 3.07Å; K216-S220 PolarHBondContact O-OG 2.72Å; V218-S220 PolarHBondContact O-N 3.02Å; S220-S224 WeakPolarHBondContact O-CB 3.17Å; S220-S224 PolarHBondContact O-N 3.47Å; S220-S224 VanDerWaalsContact O-N 3.15Å
221	F	98.8	Very high	98.6	Very high	32 Å²	32	40.9 Å²	40.9	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-67.8	-50.4	-179.9	174.3	-98.3	0	0	0	112.3	L76 Y87 W102 Y145 A217 V218 A219 E223 S224 K225	L76-F221 HydrophobicContact CD1-CB 3.43Å; L76-F221 VanDerWaalsContact CD1-CB 3.43Å; L76-F221 HydrophobicContact CD1-CD1 4.01Å; L76-F221 HydrophobicContact CD1-CD2 4.05Å; L76-F221 HydrophobicContact CD1-CG 3.55Å; Y87-F221 HydrophobicContact CE1-CD2 4.46Å; Y87-F221 HydrophobicContact CE1-CE1 4.38Å; Y87-F221 AromaticContact CE1-CE2 3.91Å; Y87-F221 HydrophobicContact CE1-CE2 3.91Å; Y87-F221 AromaticContact CE1-CZ 3.84Å; Y87-F221 HydrophobicContact CE1-CZ 3.84Å; Y87-F221 HydrophobicContact CE2-CZ 4.16Å; Y87-F221 AromaticContact CZ-CE2 3.79Å; Y87-F221 AromaticContact CZ-CZ 3.51Å; Y87-F221 WeakPolarHBondContact OH-CE2 3.38Å; Y87-F221 WeakPolarHBondContact OH-CZ 3.1Å; W102-F221 HydrophobicContact CE3-CD1 4.19Å; W102-F221 AromaticContact CE3-CE1 3.87Å; W102-F221 HydrophobicContact CE3-CE1 3.87Å; W102-F221 HydrophobicContact CH2-CD1 4.15Å; W102-F221 HydrophobicContact CH2-CE1 4.41Å; W102-F221 AromaticContact CZ3-CD1 3.56Å; W102-F221 HydrophobicContact CZ3-CD1 3.56Å; W102-F221 AromaticContact CZ3-CE1 3.42Å; W102-F221 HydrophobicContact CZ3-CE1 3.42Å; W102-F221 VanDerWaalsContact CZ3-CE1 3.42Å; Y145-F221 AromaticContact CD2-CE1 3.78Å; Y145-F221 HydrophobicContact CD2-CE1 3.78Å; Y145-F221 AromaticContact CD2-CZ 3.62Å; Y145-F221 HydrophobicContact CD2-CZ 3.62Å; Y145-F221 HydrophobicContact CE2-CE1 4.22Å; Y145-F221 AromaticContact CE2-CZ 3.64Å; Y145-F221 HydrophobicContact CE2-CZ 3.64Å; A217-F221 WeakPolarHBondContact O-CB 3.26Å; A217-F221 PolarHBondContact O-N 3.16Å; V218-F221 PolarHBondContact O-N 3.33Å; A219-F221 PolarHBondContact O-N 2.98Å; F221-E223 PolarHBondContact O-N 2.67Å; F221-S224 WeakPolarHBondContact O-CB 3.46Å; F221-S224 PolarHBondContact O-N 3Å; F221-S224 VanDerWaalsContact O-N 3.15Å; F221-S224 PolarHBondContact O-OG 3.36Å; F221-K225 HydrophobicContact CE2-CG 4.39Å; F221-K225 HydrophobicContact CZ-CG 4.3Å; F221-K225 PolarHBondContact O-N 2.86Å
222	V	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-40.5	-178.1	162.7	0	0	0	0	110.5	W102 V218 S224 K225 K226 I229 F232 W297 I301 I303	W102-V222 HydrophobicContact CD2-CG2 3.81Å; W102-V222 HydrophobicContact CE3-CG2 4.01Å; W102-V222 HydrophobicContact CG-CG2 4.25Å; W102-V222 HydrophobicContact CH2-CG2 4.47Å; W102-V222 HydrophobicContact CZ2-CG2 4.3Å; W102-V222 HydrophobicContact CZ3-CG2 4.34Å; V218-V222 HydrophobicContact CG1-CG2 4.26Å; V218-V222 WeakPolarHBondContact O-CB 3.41Å; V218-V222 WeakPolarHBondContact O-CG2 3.41Å; V218-V222 PolarHBondContact O-N 3.45Å; V222-S224 VanDerWaalsContact C-N 3.32Å; V222-S224 PolarHBondContact O-N 3.17Å; V222-K225 CarbonylContact O-C 3.56Å; V222-K225 PolarHBondContact O-N 3.21Å; V222-K226 WeakPolarHBondContact O-CA 3.06Å; V222-K226 PolarHBondContact O-N 3.15Å; V222-I229 HydrophobicContact CB-CD1 4.18Å; V222-I229 HydrophobicContact CG1-CD1 3.8Å; V222-I229 HydrophobicContact CG2-CD1 4.23Å; V222-F232 HydrophobicContact CG2-CE2 4.41Å; V222-W297 HydrophobicContact CB-CH2 3.77Å; V222-W297 HydrophobicContact CB-CZ3 4.35Å; V222-W297 HydrophobicContact CG1-CH2 3.57Å; V222-W297 HydrophobicContact CG1-CZ3 3.92Å; V222-I301 HydrophobicContact CG1-CD1 3.95Å; V222-I303 HydrophobicContact CG1-CD1 3.71Å
223	E	98.7	Very high	98.7	Very high	89 Å²	89	38.8 Å²	38.8	42%	0.416	21%	0.206	S	C	.	.	H	α-helix	trans	-60	-40.2	173	-79.8	173.2	-163.1	0	0	112.2	A219 F221 K225 K226 W297 I301	A219-E223 VanDerWaalsContact O-CB 3.3Å; A219-E223 WeakPolarHBondContact O-CB 3.24Å; A219-E223 WeakPolarHBondContact O-CG 3.4Å; A219-E223 PolarHBondContact O-N 3.32Å; F221-E223 PolarHBondContact O-N 2.67Å; E223-K225 PolarHBondContact O-N 3.29Å; E223-K225 VanDerWaalsContact O-N 3.15Å; E223-K226 WeakPolarHBondContact O-CG 3.21Å; E223-K226 PolarHBondContact O-N 2.92Å; E223-W297 HydrophobicContact CG-CZ2 3.82Å; E223-W297 WeakPolarHBondContact OE1-CZ2 3.47Å; E223-W297 PolarHBondContact OE1-NE1 3.22Å; E223-I301 HydrophobicContact CG-CD1 3.92Å; E223-I301 HydrophobicContact CG-CG2 4.4Å
224	S	98.5	Very high	98.7	Very high	82 Å²	82	36.8 Å²	36.8	57%	0.573	19%	0.193	S	C	*	.	H	α-helix	trans	-65	-15.7	176.7	82.3	0	0	0	0	114.1	S220 F221 V222	S220-S224 WeakPolarHBondContact O-CB 3.17Å; S220-S224 PolarHBondContact O-N 3.47Å; S220-S224 VanDerWaalsContact O-N 3.15Å; F221-S224 WeakPolarHBondContact O-CB 3.46Å; F221-S224 PolarHBondContact O-N 3Å; F221-S224 VanDerWaalsContact O-N 3.15Å; F221-S224 PolarHBondContact O-OG 3.36Å; V222-S224 VanDerWaalsContact C-N 3.32Å; V222-S224 PolarHBondContact O-N 3.17Å
225	K	98.3	Very high	98.7	Very high	81 Å²	81	36.8 Å²	36.8	35%	0.352	19%	0.193	S	C	.	.	H	α-helix	trans	-122	6.4	-177.8	-64.8	-61.3	-176.9	-179.1	0	113.5	I100 F221 V222 E223 D227 D228 I229	I100-K225 HydrophobicContact CD1-CB 4.15Å; I100-K225 HydrophobicContact CD1-CD 4.41Å; I100-K225 HydrophobicContact CD1-CG 4.41Å; F221-K225 HydrophobicContact CE2-CG 4.39Å; F221-K225 HydrophobicContact CZ-CG 4.3Å; F221-K225 PolarHBondContact O-N 2.86Å; V222-K225 CarbonylContact O-C 3.56Å; V222-K225 PolarHBondContact O-N 3.21Å; E223-K225 PolarHBondContact O-N 3.29Å; E223-K225 VanDerWaalsContact O-N 3.15Å; K225-D227 PolarHBondContact O-N 3.19Å; K225-D227 VanDerWaalsContact O-N 3.09Å; K225-D228 WeakPolarHBondContact O-CA 3.3Å; K225-D228 PolarHBondContact O-N 2.98Å; K225-I229 HydrophobicContact CB-CD1 3.95Å; K225-I229 HydrophobicContact CB-CG1 4.24Å; K225-I229 WeakPolarHBondContact O-CG1 3.27Å; K225-I229 PolarHBondContact O-N 3.26Å; K225-I229 VanDerWaalsContact O-N 3.16Å
226	K	97.9	Very high	98.7	Very high	76 Å²	76	36.8 Å²	36.8	33%	0.33	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.3	-167.3	70.5	-173.9	-174.8	62.6	0	113.9	V222 E223 D228 I229 I301	V222-K226 WeakPolarHBondContact O-CA 3.06Å; V222-K226 PolarHBondContact O-N 3.15Å; E223-K226 WeakPolarHBondContact O-CG 3.21Å; E223-K226 PolarHBondContact O-N 2.92Å; K226-D228 PolarHBondContact O-N 2.83Å; K226-I229 PolarHBondContact O-N 2.98Å; K226-I301 HydrophobicContact CB-CD1 4.23Å
227	D	97.9	Very high	98.7	Very high	122 Å²	122	30.9 Å²	30.9	65%	0.652	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.2	-179.8	-56.3	-28.1	0	0	0	112.4	K99 K225	K99-D227 PolarHBondContact NZ-O 2.72Å; K225-D227 PolarHBondContact O-N 3.19Å; K225-D227 VanDerWaalsContact O-N 3.09Å
228	D	98	Very high	98.7	Very high	60 Å²	60	34.4 Å²	34.4	32%	0.321	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-16.8	174.4	-68.6	-39.7	0	0	0	113.5	K99 I100 K225 K226 L230	K99-D228 CarbonylContact C-O 3.53Å; K99-D228 WeakPolarHBondContact CA-O 3.22Å; K99-D228 WeakPolarHBondContact CB-O 3.41Å; K99-D228 HydrophobicContact CD-CB 4.4Å; K99-D228 VanDerWaalsContact CD-O 3.32Å; K99-D228 WeakPolarHBondContact CD-O 3.5Å; K99-D228 IonicContact NZ-OD1 3.53Å; K99-D228 PolarHBondContact NZ-OD1 2.66Å; I100-D228 HydrophobicContact CD1-CB 3.89Å; I100-D228 HydrophobicContact CG1-CB 4.33Å; I100-D228 PolarHBondContact N-O 3.13Å; K225-D228 WeakPolarHBondContact O-CA 3.3Å; K225-D228 PolarHBondContact O-N 2.98Å; K226-D228 PolarHBondContact O-N 2.83Å; D228-L230 PolarHBondContact O-N 2.9Å
229	I	98.8	Very high	98.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.5	179.5	-61.4	165.7	0	0	0	109.8	I100 W102 V222 K225 K226 C231 I303	I100-I229 HydrophobicContact CB-CG1 3.87Å; I100-I229 HydrophobicContact CD1-CG1 4.34Å; I100-I229 HydrophobicContact CG2-CG1 3.89Å; I100-I229 CarbonylContact O-C 2.97Å; I100-I229 WeakPolarHBondContact O-CA 3.33Å; W102-I229 HydrophobicContact CB-CG2 4.21Å; V222-I229 HydrophobicContact CB-CD1 4.18Å; V222-I229 HydrophobicContact CG1-CD1 3.8Å; V222-I229 HydrophobicContact CG2-CD1 4.23Å; K225-I229 HydrophobicContact CB-CD1 3.95Å; K225-I229 HydrophobicContact CB-CG1 4.24Å; K225-I229 WeakPolarHBondContact O-CG1 3.27Å; K225-I229 PolarHBondContact O-N 3.26Å; K225-I229 VanDerWaalsContact O-N 3.16Å; K226-I229 PolarHBondContact O-N 2.98Å; I229-C231 WeakPolarHBondContact CG2-O 3.38Å; I229-I303 HydrophobicContact CB-CD1 4.15Å; I229-I303 HydrophobicContact CB-CG1 4.23Å; I229-I303 HydrophobicContact CD1-CD1 4.4Å; I229-I303 HydrophobicContact CG2-CD1 3.83Å; I229-I303 HydrophobicContact CG2-CG1 4.14Å; I229-I303 HydrophobicContact CG2-CG2 3.94Å
230	L	98.7	Very high	98.6	Very high	18 Å²	18	37 Å²	37	9%	0.094	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-30.5	176.2	-67.1	178.4	0	0	0	112.7	K99 I100 I101 L142 D228 P304 F305 V344 H348 W349	K99-L230 HydrophobicContact CB-CD1 3.53Å; K99-L230 HydrophobicContact CB-CG 3.73Å; K99-L230 HydrophobicContact CD-CD2 4.47Å; K99-L230 HydrophobicContact CD-CG 4.34Å; K99-L230 HydrophobicContact CG-CD1 3.8Å; K99-L230 HydrophobicContact CG-CD2 4.45Å; K99-L230 HydrophobicContact CG-CG 4.01Å; I100-L230 PolarHBondContact O-N 3.04Å; I101-L230 HydrophobicContact CD1-CB 4.49Å; L142-L230 HydrophobicContact CD2-CD1 4.16Å; D228-L230 PolarHBondContact O-N 2.9Å; L230-P304 HydrophobicContact CD2-CG 4.48Å; L230-P304 WeakPolarHBondContact O-CG 3.45Å; L230-F305 PolarHBondContact O-N 3.41Å; L230-V344 HydrophobicContact CB-CG1 3.74Å; L230-V344 HydrophobicContact CD1-CG1 4.15Å; L230-H348 HydrophobicContact CD1-CB 3.91Å; L230-W349 HydrophobicContact CD1-CH2 4.16Å; L230-W349 HydrophobicContact CD1-CZ3 3.94Å
231	C	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	134.1	-177.6	-167.4	0	0	0	0	111.5	I101 W102 I229 F305 V344	I101-C231 HydrophobicContact CD1-CB 3.64Å; I101-C231 HydrophobicContact CG2-CB 4.4Å; W102-C231 PolarHBondContact N-O 3.23Å; I229-C231 WeakPolarHBondContact CG2-O 3.38Å; C231-F305 CarbonylContact C-O 3.6Å; C231-F305 VanDerWaalsContact CA-O 3.24Å; C231-F305 WeakPolarHBondContact CA-O 3.37Å; C231-F305 HydrophobicContact CB-CB 4.1Å; C231-V344 HydrophobicContact CB-CG1 4.43Å; C231-V344 HydrophobicContact CB-CG2 4.15Å
232	F	98.9	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.1	173.5	-173.8	-81.4	0	0	0	109	W102 D104 V222 T234 W297 A298 I303 F305 S306 Y307	W102-F232 HydrophobicContact CB-CD2 4.21Å; W102-F232 AromaticContact CD1-CD2 3.25Å; W102-F232 AromaticContact CD1-CE2 3.14Å; W102-F232 AromaticContact CD1-CG 3.98Å; W102-F232 AromaticContact CD1-CZ 3.79Å; W102-F232 AromaticContact CG-CD2 3.89Å; W102-F232 HydrophobicContact CG-CD2 3.89Å; W102-F232 HydrophobicContact CG-CE2 4.01Å; W102-F232 AromaticContact NE1-CD2 3.96Å; W102-F232 AromaticContact NE1-CE2 3.33Å; W102-F232 VanDerWaalsContact NE1-CE2 3.33Å; W102-F232 AromaticContact NE1-CZ 3.75Å; D104-F232 WeakPolarHBondContact OD2-CZ 3Å; V222-F232 HydrophobicContact CG2-CE2 4.41Å; F232-T234 HydrophobicContact CE1-CG2 4.12Å; F232-W297 HydrophobicContact CE2-CZ3 4.2Å; F232-A298 HydrophobicContact CB-CB 3.87Å; F232-A298 HydrophobicContact CD1-CB 3.81Å; F232-A298 HydrophobicContact CD2-CB 3.76Å; F232-A298 HydrophobicContact CE1-CB 4.3Å; F232-A298 HydrophobicContact CE2-CB 4.26Å; F232-A298 HydrophobicContact CG-CB 3.53Å; F232-I303 HydrophobicContact CB-CD1 4.36Å; F232-I303 HydrophobicContact CB-CG2 4.09Å; F232-I303 HydrophobicContact CD2-CD1 4.31Å; F232-F305 PolarHBondContact N-O 3.48Å; F232-S306 CarbonylContact O-C 3.54Å; F232-S306 WeakPolarHBondContact O-CA 3.49Å; F232-Y307 PolarHBondContact O-N 2.87Å
233	L	98.9	Very high	98.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.7	178.8	-59.3	176.8	0	0	0	108.7	I101 W102 M103 D104 M235 Y307 F309 V337	I101-L233 HydrophobicContact CG2-CD1 4.28Å; W102-L233 PolarHBondContact O-N 3.47Å; M103-L233 CarbonylContact C-O 3.48Å; M103-L233 VanDerWaalsContact CA-O 3.25Å; M103-L233 WeakPolarHBondContact CA-O 3.31Å; M103-L233 HydrophobicContact CB-CB 4.39Å; M103-L233 HydrophobicContact CE-CB 4.49Å; M103-L233 HydrophobicContact CE-CD1 3.72Å; M103-L233 HydrophobicContact CG-CB 4.35Å; D104-L233 PolarHBondContact N-O 3.32Å; L233-M235 HydrophobicContact CB-SD 4.49Å; L233-Y307 HydrophobicContact CD2-CD2 3.95Å; L233-Y307 HydrophobicContact CD2-CG 4.47Å; L233-F309 HydrophobicContact CD2-CE2 3.98Å; L233-V337 HydrophobicContact CD1-CG1 4.05Å
234	T	98.9	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.6	173.1	-174.9	0	0	0	0	109.5	D104 F232 H236 R295 Y307 T308 F309	D104-T234 WeakPolarHBondContact O-CA 3.3Å; D104-T234 VanDerWaalsContact OD1-CB 3.3Å; D104-T234 WeakPolarHBondContact OD1-CB 3.38Å; D104-T234 PolarHBondContact OD1-OG1 3.39Å; F232-T234 HydrophobicContact CE1-CG2 4.12Å; T234-H236 PolarHBondContact OG1-NE2 2.89Å; T234-R295 HydrophobicContact CG2-CB 4.32Å; T234-Y307 PolarHBondContact N-O 3.34Å; T234-T308 HydrophobicContact CG2-CG2 4.28Å; T234-T308 WeakPolarHBondContact CG2-OG1 3.26Å; T234-T308 VanDerWaalsContact O-CA 3.31Å; T234-T308 WeakPolarHBondContact O-CA 3.38Å; T234-F309 PolarHBondContact O-N 2.89Å
235	M	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.1	-170.7	-49	-57.2	-60.1	0	0	110.3	M103 D104 C105 A114 F117 L233 F309 L311 T333	M103-M235 HydrophobicContact CG-CG 4.21Å; D104-M235 PolarHBondContact O-N 2.95Å; C105-M235 HydrophobicContact CB-CB 4.35Å; C105-M235 VanDerWaalsContact SG-CB 3.51Å; C105-M235 WeakPolarHBondContact SG-CG 3.41Å; A114-M235 HydrophobicContact CB-CB 4.06Å; A114-M235 VanDerWaalsContact CB-O 3.25Å; A114-M235 WeakPolarHBondContact CB-O 3.34Å; F117-M235 HydrophobicContact CD1-CE 3.6Å; F117-M235 HydrophobicContact CD1-CG 3.95Å; F117-M235 HydrophobicContact CD1-SD 4.3Å; F117-M235 HydrophobicContact CE1-CE 3.56Å; F117-M235 HydrophobicContact CE1-CG 4.2Å; F117-M235 HydrophobicContact CE1-SD 4.08Å; F117-M235 HydrophobicContact CG-CE 4.45Å; F117-M235 HydrophobicContact CZ-CE 4.4Å; L233-M235 HydrophobicContact CB-SD 4.49Å; M235-F309 HydrophobicContact CE-CB 3.28Å; M235-F309 HydrophobicContact CE-CD1 4.23Å; M235-F309 HydrophobicContact CE-CD2 4.16Å; M235-F309 HydrophobicContact CE-CG 3.65Å; M235-F309 HydrophobicContact SD-CB 3.81Å; M235-F309 HydrophobicContact SD-CD2 3.96Å; M235-F309 HydrophobicContact SD-CG 4.05Å; M235-L311 HydrophobicContact CE-CD1 4.38Å; M235-L311 HydrophobicContact CE-CD2 3.83Å; M235-L311 HydrophobicContact CE-CG 4.37Å; M235-T333 HydrophobicContact CE-CG2 3.71Å
236	H	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	176	-174	-74	-98.6	0	0	0	111.1	I107 H108 E111 N183 T234 T308 F309 E310 L311	I107-H236 WeakPolarHBondContact CG2-CE1 3.33Å; I107-H236 WeakPolarHBondContact CG2-NE2 3.24Å; H108-H236 AromaticContact CE1-CE1 3.19Å; H108-H236 PolarHBondContact CE1-CE1 2.93Å; H108-H236 AromaticContact CE1-ND1 3.21Å; H108-H236 PolarHBondContact CE1-ND1 3.34Å; H108-H236 AromaticContact ND1-CE1 3.54Å; H108-H236 AromaticContact ND1-ND1 3.15Å; H108-H236 PolarHBondContact ND1-ND1 3.06Å; H108-H236 VanDerWaalsContact ND1-ND1 3.15Å; H108-H236 AromaticContact NE2-CE1 3.86Å; E111-H236 WeakPolarHBondContact OE2-CA 3.2Å; E111-H236 VanDerWaalsContact OE2-CB 3.3Å; E111-H236 WeakPolarHBondContact OE2-CB 3.32Å; E111-H236 IonicContact OE2-CG 2.74Å; E111-H236 IonicContact OE2-ND1 2.68Å; E111-H236 PolarHBondContact OE2-ND1 2.64Å; E111-H236 VanDerWaalsContact OE2-ND1 3.17Å; N183-H236 PolarHBondContact ND2-CE1 2.8Å; N183-H236 VanDerWaalsContact ND2-CE1 3.29Å; N183-H236 PolarHBondContact ND2-NE2 3.46Å; T234-H236 PolarHBondContact OG1-NE2 2.89Å; H236-T308 HydrophobicContact CB-CG2 4.29Å; H236-T308 VanDerWaalsContact CD2-CG2 3.45Å; H236-T308 WeakPolarHBondContact CD2-CG2 3.42Å; H236-F309 CarbonylContact C-O 3.59Å; H236-F309 WeakPolarHBondContact CA-O 3.33Å; H236-F309 WeakPolarHBondContact CB-O 3.08Å; H236-F309 PolarHBondContact N-O 3.16Å; H236-F309 VanDerWaalsContact O-O 3.09Å; H236-E310 VanDerWaalsContact CB-OE2 3.23Å; H236-E310 WeakPolarHBondContact CB-OE2 3.48Å; H236-L311 WeakPolarHBondContact O-CB 3.43Å; H236-L311 VanDerWaalsContact O-CG 3.26Å; H236-L311 WeakPolarHBondContact O-CG 3.32Å; H236-L311 PolarHBondContact O-N 3.31Å
237	S	98.8	Very high	98.6	Very high	3 Å²	3	18 Å²	18	2%	0.021	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.2	162.3	58.6	0	0	0	0	109.4	E111 I113 E310 F319	E111-S237 WeakPolarHBondContact CA-OG 3.33Å; E111-S237 VanDerWaalsContact CB-OG 3.25Å; E111-S237 WeakPolarHBondContact CB-OG 3.24Å; E111-S237 WeakPolarHBondContact CG-O 3.28Å; E111-S237 WeakPolarHBondContact CG-OG 3.26Å; E111-S237 VanDerWaalsContact OE1-O 3.08Å; E111-S237 PolarHBondContact OE2-N 2.88Å; I113-S237 VanDerWaalsContact CG2-CB 3.4Å; I113-S237 WeakPolarHBondContact CG2-OG 3.47Å; S237-E310 PolarHBondContact N-OE2 2.8Å; S237-F319 VanDerWaalsContact O-CE1 3.24Å; S237-F319 WeakPolarHBondContact O-CE1 3.37Å
238	Y	98.7	Very high	98.6	Very high	88 Å²	88	14.7 Å²	14.7	35%	0.345	7%	0.073	S	C	.	.	S	Bend	cis	-123.2	170.9	1	63.9	-90.1	0	0	0	109.5	L311 D313 G318 F319	Y238-L311 WeakPolarHBondContact CA-O 3.42Å; Y238-D313 WeakPolarHBondContact CB-O 3.24Å; Y238-G318 VanDerWaalsContact CE1-CA 3.46Å; Y238-F319 AromaticContact CD1-CD1 3.67Å; Y238-F319 HydrophobicContact CD1-CD1 3.67Å; Y238-F319 HydrophobicContact CD1-CD2 4.41Å; Y238-F319 AromaticContact CD1-CE1 3.49Å; Y238-F319 HydrophobicContact CD1-CE1 3.49Å; Y238-F319 VanDerWaalsContact CD1-CE1 3.49Å; Y238-F319 HydrophobicContact CD1-CE2 4.25Å; Y238-F319 HydrophobicContact CD1-CG 4.13Å; Y238-F319 AromaticContact CD1-CZ 3.79Å; Y238-F319 HydrophobicContact CD1-CZ 3.79Å; Y238-F319 HydrophobicContact CE1-CD1 4.07Å; Y238-F319 HydrophobicContact CE1-CD2 4.01Å; Y238-F319 AromaticContact CE1-CE1 3.74Å; Y238-F319 HydrophobicContact CE1-CE1 3.74Å; Y238-F319 AromaticContact CE1-CE2 3.66Å; Y238-F319 HydrophobicContact CE1-CE2 3.66Å; Y238-F319 HydrophobicContact CE1-CG 4.2Å; Y238-F319 AromaticContact CE1-CZ 3.5Å; Y238-F319 HydrophobicContact CE1-CZ 3.5Å
239	G	97.9	Very high	98.6	Very high	25 Å²	25	13.6 Å²	13.6	26%	0.258	7%	0.068	S	C	.	.	S	Bend	trans	149.1	-9.3	172.9	0	0	0	0	0	114.1	L241 L311 D313	G239-L241 WeakPolarHBondContact O-CG 3.41Å; G239-L311 PolarHBondContact N-O 2.76Å; G239-L311 VanDerWaalsContact N-O 3.17Å; G239-D313 WeakPolarHBondContact CA-O 3.02Å; G239-D313 PolarHBondContact N-O 2.96Å
240	Q	98.8	Very high	98.4	Very high	32 Å²	32	20.8 Å²	20.8	15%	0.15	10%	0.099	C	C	.	.	S	Bend	trans	55.3	60.7	-177.5	-60.4	178.2	174.7	0	0	111.5	T276 N277 Y278 R279 E310 L311	Q240-T276 HydrophobicContact CG-CG2 4.37Å; Q240-N277 PolarHBondContact NE2-O 3.45Å; Q240-N277 VanDerWaalsContact NE2-O 3.12Å; Q240-Y278 HydrophobicContact CB-CD1 4.27Å; Q240-Y278 HydrophobicContact CB-CD2 3.66Å; Q240-Y278 HydrophobicContact CB-CE1 4.28Å; Q240-Y278 HydrophobicContact CB-CE2 3.63Å; Q240-Y278 HydrophobicContact CB-CG 3.98Å; Q240-Y278 HydrophobicContact CG-CD2 4.17Å; Q240-Y278 HydrophobicContact CG-CE2 3.65Å; Q240-Y278 WeakPolarHBondContact O-CA 3.37Å; Q240-R279 PolarHBondContact O-N 2.82Å; Q240-R279 VanDerWaalsContact O-N 3.07Å; Q240-E310 CarbonylContact C-O 3.54Å; Q240-E310 WeakPolarHBondContact CA-O 3.45Å; Q240-E310 PolarHBondContact N-O 3.41Å; Q240-L311 PolarHBondContact N-O 3.16Å
241	L	98.8	Very high	98.3	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146	-177.1	-49.5	170.4	0	0	0	110.8	G239 L243 R279 I286 L287 F309 E310	G239-L241 WeakPolarHBondContact O-CG 3.41Å; L241-L243 HydrophobicContact CB-CD2 3.79Å; L241-L243 HydrophobicContact CB-CG 4.07Å; L241-L243 HydrophobicContact CD1-CD2 4.06Å; L241-L243 HydrophobicContact CG-CD2 4.46Å; L241-R279 CarbonylContact C-O 3.51Å; L241-R279 WeakPolarHBondContact CA-O 3.49Å; L241-R279 HydrophobicContact CD2-CB 3.83Å; L241-R279 HydrophobicContact CD2-CG 4.38Å; L241-R279 VanDerWaalsContact CD2-NH2 3.32Å; L241-I286 HydrophobicContact CD2-CD1 4.37Å; L241-L287 HydrophobicContact CD1-CB 4.34Å; L241-L287 HydrophobicContact CD1-CD1 3.94Å; L241-L287 HydrophobicContact CD1-CD2 4.21Å; L241-L287 HydrophobicContact CD1-CG 4.37Å; L241-F309 WeakPolarHBondContact O-CA 3.39Å; L241-E310 HydrophobicContact CB-CB 3.91Å; L241-E310 HydrophobicContact CB-CG 4.08Å; L241-E310 HydrophobicContact CD1-CG 4.27Å; L241-E310 HydrophobicContact CG-CB 4.28Å; L241-E310 HydrophobicContact CG-CG 4.49Å; L241-E310 PolarHBondContact N-O 3.08Å; L241-E310 PolarHBondContact O-N 2.85Å
242	I	98.9	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	100.6	163.3	-52.6	-179.8	0	0	0	106.4	A266 A267 Y278 R279 V280 G281 Y307 T308 F309	I242-A266 HydrophobicContact CD1-CB 3.94Å; I242-A267 HydrophobicContact CD1-CB 3.98Å; I242-Y278 HydrophobicContact CG1-CD1 4.02Å; I242-R279 PolarHBondContact N-O 3.03Å; I242-V280 HydrophobicContact CB-CG1 4.47Å; I242-V280 HydrophobicContact CB-CG2 4.19Å; I242-V280 HydrophobicContact CD1-CG2 4.46Å; I242-V280 WeakPolarHBondContact O-CA 3.32Å; I242-G281 PolarHBondContact O-N 3.38Å; I242-Y307 HydrophobicContact CG2-CD1 3.89Å; I242-Y307 HydrophobicContact CG2-CG 4.48Å; I242-T308 CarbonylContact C-O 3.38Å; I242-F309 HydrophobicContact CD1-CD1 4.3Å; I242-F309 HydrophobicContact CD1-CE1 3.6Å; I242-F309 HydrophobicContact CD1-CZ 4.09Å; I242-F309 HydrophobicContact CG1-CD1 3.92Å; I242-F309 HydrophobicContact CG1-CE1 3.7Å; I242-F309 HydrophobicContact CG1-CZ 4.29Å; I242-F309 HydrophobicContact CG2-CE1 4.25Å; I242-F309 HydrophobicContact CG2-CE2 4.19Å; I242-F309 HydrophobicContact CG2-CZ 3.99Å
243	L	98.8	Very high	97.7	Very high	2 Å²	2	30 Å²	30	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.6	-174.9	-49.8	172.5	0	0	0	111.1	L241 G281 I286 L287 R295 Y307 T308 E310	L241-L243 HydrophobicContact CB-CD2 3.79Å; L241-L243 HydrophobicContact CB-CG 4.07Å; L241-L243 HydrophobicContact CD1-CD2 4.06Å; L241-L243 HydrophobicContact CG-CD2 4.46Å; L243-G281 CarbonylContact C-O 3.57Å; L243-G281 VanDerWaalsContact CA-O 3.27Å; L243-G281 WeakPolarHBondContact CA-O 3.33Å; L243-I286 HydrophobicContact CD2-CD1 3.77Å; L243-I286 HydrophobicContact CD2-CG1 3.81Å; L243-L287 HydrophobicContact CD1-CD2 3.66Å; L243-L287 HydrophobicContact CD2-CB 4.33Å; L243-R295 VanDerWaalsContact O-CD 3.26Å; L243-R295 WeakPolarHBondContact O-CD 3.41Å; L243-Y307 WeakPolarHBondContact O-CA 3.25Å; L243-T308 HydrophobicContact CD1-CG2 4.23Å; L243-T308 PolarHBondContact N-O 3.47Å; L243-T308 PolarHBondContact O-N 2.63Å; L243-E310 HydrophobicContact CD1-CG 4.13Å
244	T	98.5	Very high	97.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	164.5	170.1	60	0	0	0	0	111.1	M259 I260 G281 S282 S283 R295 Y307	T244-M259 HydrophobicContact CG2-CB 3.95Å; T244-I260 HydrophobicContact CG2-CD1 4.19Å; T244-G281 PolarHBondContact N-O 2.74Å; T244-G281 PolarHBondContact OG1-O 3.43Å; T244-S282 VanDerWaalsContact O-CA 3.25Å; T244-S282 WeakPolarHBondContact O-CA 3.28Å; T244-S282 WeakPolarHBondContact OG1-CA 3.3Å; T244-S282 PolarHBondContact OG1-N 3.3Å; T244-S283 PolarHBondContact O-N 3.4Å; T244-R295 PolarHBondContact O-NE 3.4Å; T244-Y307 HydrophobicContact CG2-CD1 3.83Å; T244-Y307 HydrophobicContact CG2-CE1 3.59Å
245	P	98.3	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-61.6	150.1	164.3	-20.6	29.6	0	0	0	111.8	M259 R295 R299 S306	P245-M259 HydrophobicContact CG-CE 4.32Å; P245-R295 HydrophobicContact CG-CG 4.08Å; P245-R299 HydrophobicContact CB-CB 4.1Å; P245-R299 HydrophobicContact CB-CG 4.11Å; P245-R299 HydrophobicContact CG-CB 3.67Å; P245-R299 HydrophobicContact CG-CG 3.94Å; P245-S306 WeakPolarHBondContact CD-O 3.25Å
246	Y	98.5	Very high	97.1	Very high	23 Å²	23	37.6 Å²	37.6	9%	0.09	19%	0.194	C	C	.	.			cis	-105.9	152.6	-1.4	-70.6	-74.3	0	0	0	112.1	Y248 T249 N251 A284 D296 R299 D300	Y246-Y248 HydrophobicContact CD1-CD1 4.07Å; Y246-Y248 AromaticContact CD1-CE1 3.28Å; Y246-Y248 HydrophobicContact CD1-CE1 3.28Å; Y246-Y248 AromaticContact CD1-CZ 3.61Å; Y246-Y248 AromaticContact CE1-CE1 3.72Å; Y246-Y248 HydrophobicContact CE1-CE1 3.72Å; Y246-Y248 AromaticContact CE1-CZ 3.86Å; Y246-Y248 WeakPolarHBondContact CE1-OH 3.27Å; Y246-Y248 HydrophobicContact CG-CE1 4.05Å; Y246-T249 HydrophobicContact CD2-CG2 4.19Å; Y246-T249 HydrophobicContact CG-CG2 4.06Å; Y246-N251 WeakPolarHBondContact CD2-O 3.45Å; Y246-A284 WeakPolarHBondContact O-CB 3.15Å; Y246-A284 PolarHBondContact O-N 2.88Å; Y246-D296 WeakPolarHBondContact CA-OD1 3.44Å; Y246-D296 HydrophobicContact CD1-CB 3.97Å; Y246-D296 HydrophobicContact CE1-CB 4.47Å; Y246-R299 HydrophobicContact CE1-CB 4.23Å; Y246-R299 HydrophobicContact CE1-CG 4.13Å; Y246-D300 WeakPolarHBondContact CE1-OD1 3.34Å; Y246-D300 VanDerWaalsContact CZ-OD1 3.27Å; Y246-D300 PolarHBondContact OH-OD1 3.31Å
247	G	97.8	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-90.8	-35.1	166.6	0	0	0	0	0	112.7	T249 A289 S290 D296	G247-T249 VanDerWaalsContact C-N 3.33Å; G247-T249 PolarHBondContact O-N 3.14Å; G247-A289 CarbonylContact O-C 3.28Å; G247-A289 VanDerWaalsContact O-CA 3.26Å; G247-A289 WeakPolarHBondContact O-CA 3.26Å; G247-S290 CarbonylContact C-O 3.59Å; G247-S290 PolarHBondContact O-N 3.04Å; G247-D296 VanDerWaalsContact CA-OD2 3.26Å; G247-D296 WeakPolarHBondContact CA-OD2 3.42Å; G247-D296 VanDerWaalsContact N-CG 3.29Å; G247-D296 PolarHBondContact N-OD1 2.55Å; G247-D296 VanDerWaalsContact N-OD1 3.1Å; G247-D296 PolarHBondContact N-OD2 2.74Å
248	Y	97.9	Very high	97.1	Very high	52 Å²	52	44.6 Å²	44.6	20%	0.204	24%	0.235	C	C	.	.	S	Bend	trans	-82.2	-10.2	-174.7	66.7	-101.8	0	0	0	114	A188 Y246 S290 D296 D300	A188-Y248 HydrophobicContact CB-CD1 4.28Å; A188-Y248 HydrophobicContact CB-CE1 4.26Å; Y246-Y248 HydrophobicContact CD1-CD1 4.07Å; Y246-Y248 AromaticContact CD1-CE1 3.28Å; Y246-Y248 HydrophobicContact CD1-CE1 3.28Å; Y246-Y248 AromaticContact CD1-CZ 3.61Å; Y246-Y248 AromaticContact CE1-CE1 3.72Å; Y246-Y248 HydrophobicContact CE1-CE1 3.72Å; Y246-Y248 AromaticContact CE1-CZ 3.86Å; Y246-Y248 WeakPolarHBondContact CE1-OH 3.27Å; Y246-Y248 HydrophobicContact CG-CE1 4.05Å; Y248-S290 VanDerWaalsContact CA-O 3.27Å; Y248-S290 WeakPolarHBondContact CA-O 3.31Å; Y248-S290 PolarHBondContact N-O 3.26Å; Y248-D296 HydrophobicContact CD1-CB 3.85Å; Y248-D296 WeakPolarHBondContact CD1-OD2 3.37Å; Y248-D296 HydrophobicContact CE1-CB 3.89Å; Y248-D296 PolarHBondContact N-OD2 3.5Å; Y248-D300 PolarHBondContact OH-OD1 3Å; Y248-D300 PolarHBondContact OH-OD2 3.32Å
249	T	97.4	Very high	97.1	Very high	37 Å²	37	40.4 Å²	40.4	23%	0.227	22%	0.219	C	C	.	.			trans	-151	155.7	-179	-176.3	0	0	0	0	111.2	Y246 G247 N251	Y246-T249 HydrophobicContact CD2-CG2 4.19Å; Y246-T249 HydrophobicContact CG-CG2 4.06Å; G247-T249 VanDerWaalsContact C-N 3.33Å; G247-T249 PolarHBondContact O-N 3.14Å; T249-N251 VanDerWaalsContact C-N 3.32Å; T249-N251 HydrophobicContact CG2-CB 3.93Å; T249-N251 PolarHBondContact OG1-N 2.94Å; T249-N251 VanDerWaalsContact OG1-N 3.16Å
250	K	95.7	Very high	97.1	Very high	152 Å²	152	41.6 Å²	41.6	66%	0.661	22%	0.219	S	C	*	.	S	Bend	trans	-81.8	-11.7	169.9	-68.9	-169.4	175.5	-174.1	0	113	K252 A284	K250-K252 WeakPolarHBondContact O-CD 3.48Å; K250-K252 WeakPolarHBondContact O-CE 3.19Å; K250-A284 HydrophobicContact CG-CB 4.4Å
251	N	95.3	Very high	97.1	Very high	121 Å²	121	45.5 Å²	45.5	65%	0.647	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-59.9	143.1	172.1	-67.4	-11.1	0	0	0	109.6	Y246 T249	Y246-N251 WeakPolarHBondContact CD2-O 3.45Å; T249-N251 VanDerWaalsContact C-N 3.32Å; T249-N251 HydrophobicContact CG2-CB 3.93Å; T249-N251 PolarHBondContact OG1-N 2.94Å; T249-N251 VanDerWaalsContact OG1-N 3.16Å
252	K	93.4	Very high	97.1	Very high	81 Å²	81	45.5 Å²	45.5	35%	0.352	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-100.4	146	-177.3	-55.2	-49.8	-173.4	-165	0	110.4	K250 H256 S282 D285	K250-K252 WeakPolarHBondContact O-CD 3.48Å; K250-K252 WeakPolarHBondContact O-CE 3.19Å; K252-H256 HydrophobicContact CB-CB 3.78Å; K252-S282 PolarHBondContact NZ-OG 2.86Å; K252-D285 IonicContact NZ-OD1 2.74Å; K252-D285 PolarHBondContact NZ-OD1 3.45Å; K252-D285 VanDerWaalsContact NZ-OD1 3.1Å; K252-D285 IonicContact NZ-OD2 3.65Å; K252-D285 PolarHBondContact NZ-OD2 3.24Å
253	S	92	Very high	97.1	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.063	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-66.8	157.6	168.4	69.7	0	0	0	0	110.4	N255 H256 M259	S253-N255 PolarHBondContact O-N 3.39Å; S253-N255 VanDerWaalsContact O-N 3.13Å; S253-N255 PolarHBondContact OG-OD1 2.88Å; S253-H256 WeakPolarHBondContact O-CB 3.45Å; S253-H256 PolarHBondContact O-N 3.44Å; S253-H256 PolarHBondContact OG-N 2.98Å; S253-M259 WeakPolarHBondContact OG-CE 3.38Å
254	S	93.5	Very high	97.1	Very high	115 Å²	115	49.3 Å²	49.3	80%	0.804	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.8	-179.8	53.6	0	0	0	0	113.9	R299	S254-R299 PolarHBondContact OG-NH2 3.15Å
255	N	95.4	Very high	97.1	Very high	22 Å²	22	53.3 Å²	53.3	12%	0.118	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	17.5	179	70.9	-40.2	0	0	0	113.6	S253 E258 M259 R299 P304	S253-N255 PolarHBondContact O-N 3.39Å; S253-N255 VanDerWaalsContact O-N 3.13Å; S253-N255 PolarHBondContact OG-OD1 2.88Å; N255-E258 PolarHBondContact O-N 3.16Å; N255-M259 PolarHBondContact O-N 3.09Å; N255-M259 VanDerWaalsContact O-N 3.07Å; N255-R299 PolarHBondContact OD1-NE 3.18Å; N255-R299 PolarHBondContact OD1-NH2 3.5Å; N255-P304 PolarHBondContact ND2-O 2.91Å
256	H	96.8	Very high	97.1	Very high	24 Å²	24	53.3 Å²	53.3	11%	0.111	27%	0.272	C	S	.	.	H	α-helix	trans	-56.1	-44.6	-179.3	178.4	82	0	0	0	114.3	K252 S253 E258 M259 I260	K252-H256 HydrophobicContact CB-CB 3.78Å; S253-H256 WeakPolarHBondContact O-CB 3.45Å; S253-H256 PolarHBondContact O-N 3.44Å; S253-H256 PolarHBondContact OG-N 2.98Å; H256-E258 VanDerWaalsContact C-N 3.26Å; H256-E258 PolarHBondContact O-N 3.37Å; H256-M259 PolarHBondContact O-N 2.9Å; H256-M259 VanDerWaalsContact O-N 3.16Å; H256-I260 WeakPolarHBondContact O-CG1 3.37Å; H256-I260 PolarHBondContact O-N 2.88Å
257	P	98.1	Very high	97.1	Very high	97 Å²	97	52.4 Å²	52.4	63%	0.63	27%	0.269	S	S	*	.	H	α-helix	trans	-57.6	-39.1	178.2	-25.6	35.5	0	0	0	113.2	I260 Q261	P257-I260 PolarHBondContact O-N 3.35Å; P257-Q261 PolarHBondContact O-N 3Å
258	E	98	Very high	97.2	Very high	53 Å²	53	56.7 Å²	56.7	25%	0.248	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-43.7	177	-178.6	-179.2	-132	0	0	111.5	N255 H256 I260 Q261 V262 F305 K347	N255-E258 PolarHBondContact O-N 3.16Å; H256-E258 VanDerWaalsContact C-N 3.26Å; H256-E258 PolarHBondContact O-N 3.37Å; E258-I260 VanDerWaalsContact C-N 3.28Å; E258-I260 PolarHBondContact O-N 2.88Å; E258-Q261 WeakPolarHBondContact O-CB 3.37Å; E258-Q261 PolarHBondContact O-N 3.48Å; E258-Q261 VanDerWaalsContact O-N 3.15Å; E258-V262 WeakPolarHBondContact O-CG2 3.12Å; E258-V262 PolarHBondContact O-N 2.79Å; E258-F305 HydrophobicContact CG-CE1 4.14Å; E258-F305 HydrophobicContact CG-CZ 4.42Å; E258-K347 WeakPolarHBondContact OE1-CD 3.48Å; E258-K347 IonicContact OE1-NZ 2.74Å; E258-K347 PolarHBondContact OE1-NZ 3.25Å; E258-K347 IonicContact OE2-NZ 3.38Å; E258-K347 PolarHBondContact OE2-NZ 2.85Å
259	M	98.3	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-36.7	176.6	-68.2	-171.3	-58.9	0	0	112.3	T244 P245 S253 N255 H256 G263 F305 Y307	T244-M259 HydrophobicContact CG2-CB 3.95Å; P245-M259 HydrophobicContact CG-CE 4.32Å; S253-M259 WeakPolarHBondContact OG-CE 3.38Å; N255-M259 PolarHBondContact O-N 3.09Å; N255-M259 VanDerWaalsContact O-N 3.07Å; H256-M259 PolarHBondContact O-N 2.9Å; H256-M259 VanDerWaalsContact O-N 3.16Å; M259-G263 PolarHBondContact O-N 2.87Å; M259-F305 HydrophobicContact CG-CD1 4.15Å; M259-Y307 VanDerWaalsContact CA-OH 3.24Å; M259-Y307 WeakPolarHBondContact CA-OH 3.4Å; M259-Y307 HydrophobicContact CB-CE1 4.18Å; M259-Y307 WeakPolarHBondContact O-CE1 3.46Å; M259-Y307 PolarHBondContact O-OH 3.06Å; M259-Y307 VanDerWaalsContact O-OH 3.11Å
260	I	98.6	Very high	97.3	Very high	50 Å²	50	53.7 Å²	53.7	26%	0.256	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-44.4	173.3	-67.9	-62.9	0	0	0	110.8	T244 H256 P257 E258 G263 Q264 V280	T244-I260 HydrophobicContact CG2-CD1 4.19Å; H256-I260 WeakPolarHBondContact O-CG1 3.37Å; H256-I260 PolarHBondContact O-N 2.88Å; P257-I260 PolarHBondContact O-N 3.35Å; E258-I260 VanDerWaalsContact C-N 3.28Å; E258-I260 PolarHBondContact O-N 2.88Å; I260-G263 PolarHBondContact O-N 2.87Å; I260-Q264 WeakPolarHBondContact O-CB 3.32Å; I260-Q264 PolarHBondContact O-N 3.15Å; I260-V280 HydrophobicContact CD1-CG1 4.36Å
261	Q	98.7	Very high	97.4	Very high	114 Å²	114	51 Å²	51	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-47.7	177.7	-175.6	-177	5	0	0	112	P257 E258 Q264 K265	P257-Q261 PolarHBondContact O-N 3Å; E258-Q261 WeakPolarHBondContact O-CB 3.37Å; E258-Q261 PolarHBondContact O-N 3.48Å; E258-Q261 VanDerWaalsContact O-N 3.15Å; Q261-Q264 PolarHBondContact O-N 3.37Å; Q261-K265 WeakPolarHBondContact O-CG 3.26Å; Q261-K265 PolarHBondContact O-N 3.21Å
262	V	98.8	Very high	97.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-45.5	177.9	171.2	0	0	0	0	110.8	E258 Q264 K265 A266 F305 Y307 V340 D343	E258-V262 WeakPolarHBondContact O-CG2 3.12Å; E258-V262 PolarHBondContact O-N 2.79Å; V262-Q264 VanDerWaalsContact C-N 3.32Å; V262-Q264 PolarHBondContact O-N 3.37Å; V262-K265 PolarHBondContact O-N 3.21Å; V262-A266 PolarHBondContact O-N 3.14Å; V262-F305 HydrophobicContact CG2-CE1 4.08Å; V262-Y307 WeakPolarHBondContact CB-OH 3.26Å; V262-Y307 HydrophobicContact CG1-CE2 4.45Å; V262-Y307 WeakPolarHBondContact CG1-OH 3.48Å; V262-V340 HydrophobicContact CG1-CB 4.25Å; V262-V340 HydrophobicContact CG1-CG1 4.05Å; V262-V340 HydrophobicContact CG1-CG2 4.1Å; V262-D343 HydrophobicContact CB-CB 4.42Å; V262-D343 HydrophobicContact CG1-CB 4.01Å; V262-D343 HydrophobicContact CG2-CB 3.64Å
263	G	98.8	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-39.7	175.3	0	0	0	0	0	112.8	M259 I260 A266 A267 V280	M259-G263 PolarHBondContact O-N 2.87Å; I260-G263 PolarHBondContact O-N 2.87Å; G263-A266 WeakPolarHBondContact O-CB 3.33Å; G263-A266 PolarHBondContact O-N 2.81Å; G263-A267 PolarHBondContact O-N 3.1Å; G263-V280 WeakPolarHBondContact O-CG2 3.34Å
264	Q	98.9	Very high	98.1	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-68.6	-38	178.5	-170.1	60.7	62	0	0	112.4	I260 Q261 V262 A266 A267 N268	I260-Q264 WeakPolarHBondContact O-CB 3.32Å; I260-Q264 PolarHBondContact O-N 3.15Å; Q261-Q264 PolarHBondContact O-N 3.37Å; V262-Q264 VanDerWaalsContact C-N 3.32Å; V262-Q264 PolarHBondContact O-N 3.37Å; Q264-A266 VanDerWaalsContact C-N 3.34Å; Q264-A267 PolarHBondContact O-N 2.9Å; Q264-N268 PolarHBondContact NE2-OD1 2.99Å; Q264-N268 VanDerWaalsContact NE2-OD1 3.16Å; Q264-N268 WeakPolarHBondContact O-CB 3.45Å; Q264-N268 PolarHBondContact O-N 3.22Å; Q264-N268 PolarHBondContact O-ND2 2.85Å; Q264-N268 PolarHBondContact O-OD1 3.16Å
265	K	98.8	Very high	98.3	Very high	84 Å²	84	50.9 Å²	50.9	37%	0.365	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-44.9	171	-72.3	177.1	-179.5	-177	0	111.1	Q261 V262 N268 A269 D343	Q261-K265 WeakPolarHBondContact O-CG 3.26Å; Q261-K265 PolarHBondContact O-N 3.21Å; V262-K265 PolarHBondContact O-N 3.21Å; K265-N268 PolarHBondContact O-N 2.61Å; K265-A269 PolarHBondContact O-N 3.04Å; K265-D343 WeakPolarHBondContact CD-OD2 3.45Å; K265-D343 IonicContact NZ-OD1 3.51Å; K265-D343 PolarHBondContact NZ-OD1 3.37Å; K265-D343 IonicContact NZ-OD2 3.31Å
266	A	98.9	Very high	98.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-45.9	176.7	0	0	0	0	0	112.5	I242 V262 G263 Q264 N268 A269 L270 A336 V340	I242-A266 HydrophobicContact CD1-CB 3.94Å; V262-A266 PolarHBondContact O-N 3.14Å; G263-A266 WeakPolarHBondContact O-CB 3.33Å; G263-A266 PolarHBondContact O-N 2.81Å; Q264-A266 VanDerWaalsContact C-N 3.34Å; A266-N268 VanDerWaalsContact C-N 3.3Å; A266-N268 PolarHBondContact O-N 3.16Å; A266-A269 PolarHBondContact O-N 3.17Å; A266-L270 WeakPolarHBondContact O-CB 3.48Å; A266-L270 PolarHBondContact O-N 3.27Å; A266-A336 HydrophobicContact CB-CB 4.18Å; A266-A336 WeakPolarHBondContact CB-O 3.45Å; A266-V340 HydrophobicContact CB-CG2 3.68Å
267	A	98.9	Very high	98.6	Very high	4 Å²	4	54 Å²	54	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-37.4	175.7	0	0	0	0	0	112.4	I242 G263 Q264 K271 V280	I242-A267 HydrophobicContact CD1-CB 3.98Å; G263-A267 PolarHBondContact O-N 3.1Å; Q264-A267 PolarHBondContact O-N 2.9Å; A267-K271 VanDerWaalsContact O-CB 3.28Å; A267-K271 WeakPolarHBondContact O-CB 3.25Å; A267-K271 PolarHBondContact O-N 3.3Å; A267-V280 HydrophobicContact CB-CG2 3.66Å
268	N	98.9	Very high	98.6	Very high	90 Å²	90	50 Å²	50	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-41.1	176.2	-68.7	-15.4	0	0	0	112	Q264 K265 A266 K271 A272	Q264-N268 PolarHBondContact NE2-OD1 2.99Å; Q264-N268 VanDerWaalsContact NE2-OD1 3.16Å; Q264-N268 WeakPolarHBondContact O-CB 3.45Å; Q264-N268 PolarHBondContact O-N 3.22Å; Q264-N268 PolarHBondContact O-ND2 2.85Å; Q264-N268 PolarHBondContact O-OD1 3.16Å; K265-N268 PolarHBondContact O-N 2.61Å; A266-N268 VanDerWaalsContact C-N 3.3Å; A266-N268 PolarHBondContact O-N 3.16Å; N268-K271 PolarHBondContact O-N 3.13Å; N268-A272 PolarHBondContact O-N 3.1Å
269	A	98.8	Very high	98.6	Very high	27 Å²	27	54.1 Å²	54.1	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-44.3	175.7	0	0	0	0	0	111.5	K265 A266 A272 E335	K265-A269 PolarHBondContact O-N 3.04Å; A266-A269 PolarHBondContact O-N 3.17Å; A269-A272 PolarHBondContact O-N 2.89Å; A269-E335 HydrophobicContact CB-CB 4.33Å
270	L	98.7	Very high	98.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.5	-53.3	172.4	-171.5	156.9	0	0	0	111	A266 A272 K273 T276 Y278 E332 A336	A266-L270 WeakPolarHBondContact O-CB 3.48Å; A266-L270 PolarHBondContact O-N 3.27Å; L270-A272 PolarHBondContact O-N 3.32Å; L270-K273 WeakPolarHBondContact O-CB 3.38Å; L270-K273 PolarHBondContact O-N 2.98Å; L270-T276 HydrophobicContact CD2-CG2 4.42Å; L270-Y278 HydrophobicContact CD1-CD1 3.99Å; L270-Y278 HydrophobicContact CD1-CD2 3.74Å; L270-Y278 HydrophobicContact CD1-CE1 3.87Å; L270-Y278 HydrophobicContact CD1-CE2 3.63Å; L270-Y278 HydrophobicContact CD1-CG 3.93Å; L270-Y278 HydrophobicContact CD2-CD2 3.55Å; L270-Y278 HydrophobicContact CD2-CE2 3.63Å; L270-Y278 HydrophobicContact CD2-CG 4.39Å; L270-Y278 HydrophobicContact CG-CD2 4.31Å; L270-Y278 HydrophobicContact CG-CE2 4.32Å; L270-E332 HydrophobicContact CD1-CG 4.24Å; L270-E332 HydrophobicContact CD2-CB 4.02Å; L270-E332 HydrophobicContact CD2-CG 3.81Å; L270-E332 HydrophobicContact CG-CB 3.78Å; L270-E332 HydrophobicContact CG-CG 3.73Å; L270-E332 WeakPolarHBondContact CG-O 3.43Å; L270-A336 HydrophobicContact CB-CB 3.89Å; L270-A336 HydrophobicContact CD1-CB 3.96Å; L270-A336 HydrophobicContact CG-CB 4.4Å
271	K	98.8	Very high	98.6	Very high	96 Å²	96	53.1 Å²	53.1	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-35.2	-179.4	-178.9	176.2	178.4	165.7	0	112.4	A267 N268 K273 G275 T276 N277	A267-K271 VanDerWaalsContact O-CB 3.28Å; A267-K271 WeakPolarHBondContact O-CB 3.25Å; A267-K271 PolarHBondContact O-N 3.3Å; N268-K271 PolarHBondContact O-N 3.13Å; K271-K273 PolarHBondContact O-N 3.14Å; K271-G275 WeakPolarHBondContact O-CA 3.21Å; K271-G275 PolarHBondContact O-N 3.02Å; K271-T276 WeakPolarHBondContact CA-O 3.43Å; K271-T276 WeakPolarHBondContact CB-O 3.2Å; K271-N277 VanDerWaalsContact CD-OD1 3.29Å; K271-N277 WeakPolarHBondContact CD-OD1 3.34Å; K271-N277 WeakPolarHBondContact CE-OD1 3.46Å; K271-N277 PolarHBondContact NZ-OD1 3.07Å
272	A	98.7	Very high	98.6	Very high	88 Å²	88	47.7 Å²	47.7	73%	0.727	25%	0.251	S	S	*	.	H	α-helix	trans	-63.3	-23	179	0	0	0	0	0	113.2	N268 A269 L270	N268-A272 PolarHBondContact O-N 3.1Å; A269-A272 PolarHBondContact O-N 2.89Å; L270-A272 PolarHBondContact O-N 3.32Å
273	K	98.1	Very high	98.3	Very high	88 Å²	88	47.7 Å²	47.7	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-73.6	-53.8	179.8	-168.1	76.5	-179.5	-165.3	0	112.5	L270 K271 E332 E335	L270-K273 WeakPolarHBondContact O-CB 3.38Å; L270-K273 PolarHBondContact O-N 2.98Å; K271-K273 PolarHBondContact O-N 3.14Å; K273-E332 HydrophobicContact CB-CB 3.9Å; K273-E332 HydrophobicContact CG-CB 4.19Å; K273-E335 HydrophobicContact CD-CG 4.33Å
274	Y	98.3	Very high	98.2	Very high	105 Å²	105	48.4 Å²	48.4	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-134.8	6	-172	-65.2	-50.4	0	0	0	115.1	T276 P328 E331 E332	Y274-T276 VanDerWaalsContact C-N 3.27Å; Y274-T276 PolarHBondContact O-N 3.3Å; Y274-P328 HydrophobicContact CD2-CB 4.1Å; Y274-P328 WeakPolarHBondContact CD2-O 3.22Å; Y274-P328 HydrophobicContact CE2-CB 4.03Å; Y274-P328 WeakPolarHBondContact CE2-O 3.45Å; Y274-E331 HydrophobicContact CE2-CB 4.04Å; Y274-E331 PolarHBondContact OH-OE2 2.59Å; Y274-E332 HydrophobicContact CD2-CB 4.04Å
275	G	98.3	Very high	98	Very high	42 Å²	42	48.7 Å²	48.7	43%	0.433	26%	0.261	S	S	.	.			trans	80.2	2.2	-179	0	0	0	0	0	114.8	K271 N277	K271-G275 WeakPolarHBondContact O-CA 3.21Å; K271-G275 PolarHBondContact O-N 3.02Å; G275-N277 PolarHBondContact O-N 2.99Å; G275-N277 PolarHBondContact O-ND2 2.96Å
276	T	98.4	Very high	97.9	Very high	16 Å²	16	46.6 Å²	46.6	10%	0.098	25%	0.253	C	S	.	.			trans	-66.5	130.8	-179.7	-43.1	0	0	0	0	111	Q240 L270 K271 Y274 Y278 R312 E332	Q240-T276 HydrophobicContact CG-CG2 4.37Å; L270-T276 HydrophobicContact CD2-CG2 4.42Å; K271-T276 WeakPolarHBondContact CA-O 3.43Å; K271-T276 WeakPolarHBondContact CB-O 3.2Å; Y274-T276 VanDerWaalsContact C-N 3.27Å; Y274-T276 PolarHBondContact O-N 3.3Å; T276-Y278 HydrophobicContact CG2-CD2 4.11Å; T276-Y278 HydrophobicContact CG2-CE2 3.73Å; T276-R312 HydrophobicContact CG2-CG 4.46Å; T276-R312 PolarHBondContact OG1-NH2 3.05Å; T276-E332 WeakPolarHBondContact CB-OE2 3.27Å; T276-E332 PolarHBondContact OG1-OE1 3.47Å; T276-E332 PolarHBondContact OG1-OE2 3.13Å
277	N	98.2	Very high	97.8	Very high	94 Å²	94	49.8 Å²	49.8	50%	0.503	27%	0.27	S	S	.	.			trans	-98.3	121	-177.1	-65.7	-72.2	0	0	0	110.5	Q240 K271 G275	Q240-N277 PolarHBondContact NE2-O 3.45Å; Q240-N277 VanDerWaalsContact NE2-O 3.12Å; K271-N277 VanDerWaalsContact CD-OD1 3.29Å; K271-N277 WeakPolarHBondContact CD-OD1 3.34Å; K271-N277 WeakPolarHBondContact CE-OD1 3.46Å; K271-N277 PolarHBondContact NZ-OD1 3.07Å; G275-N277 PolarHBondContact O-N 2.99Å; G275-N277 PolarHBondContact O-ND2 2.96Å
278	Y	98.8	Very high	97.6	Very high	15 Å²	15	54.7 Å²	54.7	6%	0.059	29%	0.288	C	S	.	.			trans	-107.9	137.3	171	-82.3	-127.9	0	0	0	110.2	Q240 I242 L270 T276 E310 L311 R312	Q240-Y278 HydrophobicContact CB-CD1 4.27Å; Q240-Y278 HydrophobicContact CB-CD2 3.66Å; Q240-Y278 HydrophobicContact CB-CE1 4.28Å; Q240-Y278 HydrophobicContact CB-CE2 3.63Å; Q240-Y278 HydrophobicContact CB-CG 3.98Å; Q240-Y278 HydrophobicContact CG-CD2 4.17Å; Q240-Y278 HydrophobicContact CG-CE2 3.65Å; Q240-Y278 WeakPolarHBondContact O-CA 3.37Å; I242-Y278 HydrophobicContact CG1-CD1 4.02Å; L270-Y278 HydrophobicContact CD1-CD1 3.99Å; L270-Y278 HydrophobicContact CD1-CD2 3.74Å; L270-Y278 HydrophobicContact CD1-CE1 3.87Å; L270-Y278 HydrophobicContact CD1-CE2 3.63Å; L270-Y278 HydrophobicContact CD1-CG 3.93Å; L270-Y278 HydrophobicContact CD2-CD2 3.55Å; L270-Y278 HydrophobicContact CD2-CE2 3.63Å; L270-Y278 HydrophobicContact CD2-CG 4.39Å; L270-Y278 HydrophobicContact CG-CD2 4.31Å; L270-Y278 HydrophobicContact CG-CE2 4.32Å; T276-Y278 HydrophobicContact CG2-CD2 4.11Å; T276-Y278 HydrophobicContact CG2-CE2 3.73Å; Y278-E310 VanDerWaalsContact CE1-O 3.24Å; Y278-E310 WeakPolarHBondContact CE1-O 3.39Å; Y278-L311 VanDerWaalsContact OH-CA 3.32Å; Y278-L311 WeakPolarHBondContact OH-CA 3.33Å; Y278-R312 PolarHBondContact OH-N 3.15Å
279	R	98.6	Very high	97.5	Very high	139 Å²	139	52.2 Å²	52.2	53%	0.525	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	147.1	171.3	-56.6	-176.4	-56.1	150.9	10.2	110.4	Q240 L241 I242 I286	Q240-R279 PolarHBondContact O-N 2.82Å; Q240-R279 VanDerWaalsContact O-N 3.07Å; L241-R279 CarbonylContact C-O 3.51Å; L241-R279 WeakPolarHBondContact CA-O 3.49Å; L241-R279 HydrophobicContact CD2-CB 3.83Å; L241-R279 HydrophobicContact CD2-CG 4.38Å; L241-R279 VanDerWaalsContact CD2-NH2 3.32Å; I242-R279 PolarHBondContact N-O 3.03Å; R279-I286 HydrophobicContact CB-CD1 4.21Å; R279-I286 PolarHBondContact NH2-O 3.17Å
280	V	98.8	Very high	97.4	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.139	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.4	-178.5	-171.4	0	0	0	0	109.6	I242 I260 G263 A267	I242-V280 HydrophobicContact CB-CG1 4.47Å; I242-V280 HydrophobicContact CB-CG2 4.19Å; I242-V280 HydrophobicContact CD1-CG2 4.46Å; I242-V280 WeakPolarHBondContact O-CA 3.32Å; I260-V280 HydrophobicContact CD1-CG1 4.36Å; G263-V280 WeakPolarHBondContact O-CG2 3.34Å; A267-V280 HydrophobicContact CB-CG2 3.66Å
281	G	98.3	Very high	97.4	Very high	6 Å²	6	51.1 Å²	51.1	6%	0.062	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	168.9	-178.5	0	0	0	0	0	112.6	I242 L243 T244	I242-G281 PolarHBondContact O-N 3.38Å; L243-G281 CarbonylContact C-O 3.57Å; L243-G281 VanDerWaalsContact CA-O 3.27Å; L243-G281 WeakPolarHBondContact CA-O 3.33Å; T244-G281 PolarHBondContact N-O 2.74Å; T244-G281 PolarHBondContact OG1-O 3.43Å
282	S	97.4	Very high	97.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.8	173.3	56.6	0	0	0	0	110.7	T244 K252 A284 D285 I286	T244-S282 VanDerWaalsContact O-CA 3.25Å; T244-S282 WeakPolarHBondContact O-CA 3.28Å; T244-S282 WeakPolarHBondContact OG1-CA 3.3Å; T244-S282 PolarHBondContact OG1-N 3.3Å; K252-S282 PolarHBondContact NZ-OG 2.86Å; S282-A284 PolarHBondContact O-N 3.35Å; S282-A284 VanDerWaalsContact O-N 3.17Å; S282-D285 PolarHBondContact O-N 3.4Å; S282-D285 PolarHBondContact OG-OD2 3.13Å; S282-I286 PolarHBondContact O-N 3.26Å; S282-I286 VanDerWaalsContact O-N 3.14Å
283	S	93.3	Very high	97.4	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-53.1	-41.1	-179.3	-176.1	0	0	0	0	112.5	T244 D285 L287 Y288	T244-S283 PolarHBondContact O-N 3.4Å; S283-D285 PolarHBondContact O-N 3.46Å; S283-L287 CarbonylContact O-C 3.24Å; S283-L287 PolarHBondContact O-N 3Å; S283-Y288 CarbonylContact C-O 3.54Å; S283-Y288 CarbonylContact O-C 3.58Å; S283-Y288 PolarHBondContact O-N 3.05Å; S283-Y288 VanDerWaalsContact O-O 3.04Å; S283-Y288 PolarHBondContact OG-O 2.85Å
284	A	95.7	Very high	97.4	Very high	15 Å²	15	38.2 Å²	38.2	12%	0.124	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-20.2	178.3	0	0	0	0	0	114.7	Y246 K250 S282	Y246-A284 WeakPolarHBondContact O-CB 3.15Å; Y246-A284 PolarHBondContact O-N 2.88Å; K250-A284 HydrophobicContact CG-CB 4.4Å; S282-A284 PolarHBondContact O-N 3.35Å; S282-A284 VanDerWaalsContact O-N 3.17Å
285	D	96	Very high	97.4	Very high	86 Å²	86	33.4 Å²	33.4	46%	0.46	18%	0.18	S	C	.	.	H	α-helix	trans	-96	-42.3	-177.5	-74.9	3.6	0	0	0	112.2	K252 S282 S283	K252-D285 IonicContact NZ-OD1 2.74Å; K252-D285 PolarHBondContact NZ-OD1 3.45Å; K252-D285 VanDerWaalsContact NZ-OD1 3.1Å; K252-D285 IonicContact NZ-OD2 3.65Å; K252-D285 PolarHBondContact NZ-OD2 3.24Å; S282-D285 PolarHBondContact O-N 3.4Å; S282-D285 PolarHBondContact OG-OD2 3.13Å; S283-D285 PolarHBondContact O-N 3.46Å
286	I	96.5	Very high	97.5	Very high	41 Å²	41	31.4 Å²	31.4	21%	0.21	16%	0.159	C	C	.	.	H	α-helix	trans	-113.3	-10.5	-168	69.1	161.2	0	0	0	114.4	L241 L243 R279 S282	L241-I286 HydrophobicContact CD2-CD1 4.37Å; L243-I286 HydrophobicContact CD2-CD1 3.77Å; L243-I286 HydrophobicContact CD2-CG1 3.81Å; R279-I286 HydrophobicContact CB-CD1 4.21Å; R279-I286 PolarHBondContact NH2-O 3.17Å; S282-I286 PolarHBondContact O-N 3.26Å; S282-I286 VanDerWaalsContact O-N 3.14Å
287	L	95.6	Very high	97.5	Very high	66 Å²	66	30.8 Å²	30.8	35%	0.346	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-84.8	-179.8	-178.2	59	0	0	0	110.7	L241 L243 S283	L241-L287 HydrophobicContact CD1-CB 4.34Å; L241-L287 HydrophobicContact CD1-CD1 3.94Å; L241-L287 HydrophobicContact CD1-CD2 4.21Å; L241-L287 HydrophobicContact CD1-CG 4.37Å; L243-L287 HydrophobicContact CD1-CD2 3.66Å; L243-L287 HydrophobicContact CD2-CB 4.33Å; S283-L287 CarbonylContact O-C 3.24Å; S283-L287 PolarHBondContact O-N 3Å
288	Y	95.1	Very high	97.5	Very high	108 Å²	108	26.3 Å²	26.3	42%	0.424	13%	0.131	S	C	.	.			trans	-164.7	161.6	171.6	55.2	-99.5	0	0	0	109.6	R184 S283	R184-Y288 PolarHBondContact NH2-OH 2.82Å; R184-Y288 VanDerWaalsContact NH2-OH 3.14Å; S283-Y288 CarbonylContact C-O 3.54Å; S283-Y288 CarbonylContact O-C 3.58Å; S283-Y288 PolarHBondContact O-N 3.05Å; S283-Y288 VanDerWaalsContact O-O 3.04Å; S283-Y288 PolarHBondContact OG-O 2.85Å
289	A	97	Very high	97.5	Very high	38 Å²	38	27.3 Å²	27.3	31%	0.314	14%	0.135	S	C	.	.			trans	-74.4	131	175.5	0	0	0	0	0	111.1	I193 G194 G247	I193-A289 HydrophobicContact CD1-CB 3.72Å; I193-A289 HydrophobicContact CG1-CB 4.11Å; G194-A289 WeakPolarHBondContact CA-O 3.45Å; G247-A289 CarbonylContact O-C 3.28Å; G247-A289 VanDerWaalsContact O-CA 3.26Å; G247-A289 WeakPolarHBondContact O-CA 3.26Å
290	S	97.5	Very high	97.5	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.028	13%	0.126	C	C	.	.			trans	-152.3	139.4	-177.3	64.1	0	0	0	0	112.1	I193 G247 Y248	I193-S290 CarbonylContact O-C 3.58Å; G247-S290 CarbonylContact C-O 3.59Å; G247-S290 PolarHBondContact O-N 3.04Å; Y248-S290 VanDerWaalsContact CA-O 3.27Å; Y248-S290 WeakPolarHBondContact CA-O 3.31Å; Y248-S290 PolarHBondContact N-O 3.26Å
291	S	98.3	Very high	97.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-105	163.7	176.3	56.5	0	0	0	0	113.3	R184 S189 C191 S192 I193 S293	R184-S291 WeakPolarHBondContact CD-O 3.47Å; S189-S291 WeakPolarHBondContact O-CB 3.36Å; C191-S291 PolarHBondContact N-OG 3.06Å; S192-S291 PolarHBondContact N-OG 3.35Å; S192-S291 VanDerWaalsContact N-OG 3.09Å; S192-S291 WeakPolarHBondContact OG-CB 3.42Å; I193-S291 PolarHBondContact N-OG 3.02Å; I193-S291 VanDerWaalsContact N-OG 3.16Å; I193-S291 WeakPolarHBondContact O-CB 3.38Å; I193-S291 PolarHBondContact O-N 3.38Å; I193-S291 PolarHBondContact O-OG 3.48Å; S291-S293 VanDerWaalsContact C-N 3.29Å; S291-S293 PolarHBondContact O-N 2.85Å
292	G	98.6	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	70.4	20.7	175.3	0	0	0	0	0	115.1	N183 R184 N185 F186 A188	N183-G292 CarbonylContact C-O 3.56Å; N183-G292 VanDerWaalsContact C-O 3.28Å; N183-G292 CarbonylContact O-C 3.54Å; R184-G292 CarbonylContact C-O 3.52Å; R184-G292 VanDerWaalsContact C-O 3.24Å; R184-G292 WeakPolarHBondContact CA-O 3.4Å; R184-G292 PolarHBondContact N-O 3.45Å; N185-G292 PolarHBondContact N-O 2.93Å; F186-G292 WeakPolarHBondContact CB-O 3.39Å; F186-G292 PolarHBondContact N-O 3.34Å; F186-G292 VanDerWaalsContact O-CA 3.24Å; F186-G292 WeakPolarHBondContact O-CA 3.37Å; A188-G292 PolarHBondContact O-N 3.2Å
293	S	98.8	Very high	97.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	15%	0.148	C	C	.	.			trans	-77.4	146	176.8	74.1	0	0	0	0	112.1	N183 S291 R295 D296 W297	N183-S293 WeakPolarHBondContact O-CA 3.41Å; N183-S293 WeakPolarHBondContact OD1-CA 3.25Å; N183-S293 WeakPolarHBondContact OD1-CB 3.48Å; S291-S293 VanDerWaalsContact C-N 3.29Å; S291-S293 PolarHBondContact O-N 2.85Å; S293-R295 VanDerWaalsContact C-N 3.32Å; S293-R295 PolarHBondContact O-N 3.07Å; S293-D296 PolarHBondContact O-N 3.36Å; S293-D296 WeakPolarHBondContact OG-CB 3.27Å; S293-D296 PolarHBondContact OG-N 3.18Å; S293-D296 PolarHBondContact OG-OD2 2.94Å; S293-W297 PolarHBondContact O-N 2.94Å; S293-W297 VanDerWaalsContact O-N 3.1Å
294	S	98.8	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-41.9	177.7	58.9	0	0	0	0	111.6	N183 D296 W297 A298	N183-S294 PolarHBondContact OD1-N 3.47Å; N183-S294 PolarHBondContact OD1-OG 2.95Å; S294-D296 PolarHBondContact O-N 2.79Å; S294-W297 PolarHBondContact O-N 3.41Å; S294-A298 WeakPolarHBondContact O-CB 3.19Å; S294-A298 PolarHBondContact O-N 3.47Å
295	R	98.6	Very high	97.9	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-48	178.4	-179.5	-157.3	58.6	-113.1	-3.4	112.3	T234 L243 T244 P245 S293 R299 S306 T308	T234-R295 HydrophobicContact CG2-CB 4.32Å; L243-R295 VanDerWaalsContact O-CD 3.26Å; L243-R295 WeakPolarHBondContact O-CD 3.41Å; T244-R295 PolarHBondContact O-NE 3.4Å; P245-R295 HydrophobicContact CG-CG 4.08Å; S293-R295 VanDerWaalsContact C-N 3.32Å; S293-R295 PolarHBondContact O-N 3.07Å; R295-R299 PolarHBondContact O-N 2.65Å; R295-S306 VanDerWaalsContact CA-OG 3.32Å; R295-S306 WeakPolarHBondContact CA-OG 3.16Å; R295-S306 WeakPolarHBondContact CG-OG 3.4Å; R295-S306 PolarHBondContact O-OG 3.04Å; R295-T308 WeakPolarHBondContact CB-OG1 3.27Å; R295-T308 WeakPolarHBondContact CD-OG1 3.31Å; R295-T308 PolarHBondContact NH1-OG1 2.86Å
296	D	98.7	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.9	-43.8	-179.1	-68.6	-8.6	0	0	0	110.7	A188 Y246 G247 Y248 S293 S294 A298 R299 D300	A188-D296 HydrophobicContact CB-CB 3.95Å; Y246-D296 WeakPolarHBondContact CA-OD1 3.44Å; Y246-D296 HydrophobicContact CD1-CB 3.97Å; Y246-D296 HydrophobicContact CE1-CB 4.47Å; G247-D296 VanDerWaalsContact CA-OD2 3.26Å; G247-D296 WeakPolarHBondContact CA-OD2 3.42Å; G247-D296 VanDerWaalsContact N-CG 3.29Å; G247-D296 PolarHBondContact N-OD1 2.55Å; G247-D296 VanDerWaalsContact N-OD1 3.1Å; G247-D296 PolarHBondContact N-OD2 2.74Å; Y248-D296 HydrophobicContact CD1-CB 3.85Å; Y248-D296 WeakPolarHBondContact CD1-OD2 3.37Å; Y248-D296 HydrophobicContact CE1-CB 3.89Å; Y248-D296 PolarHBondContact N-OD2 3.5Å; S293-D296 PolarHBondContact O-N 3.36Å; S293-D296 WeakPolarHBondContact OG-CB 3.27Å; S293-D296 PolarHBondContact OG-N 3.18Å; S293-D296 PolarHBondContact OG-OD2 2.94Å; S294-D296 PolarHBondContact O-N 2.79Å; D296-A298 PolarHBondContact O-N 3.23Å; D296-R299 WeakPolarHBondContact O-CB 3.24Å; D296-R299 PolarHBondContact O-N 3.28Å; D296-R299 VanDerWaalsContact O-N 3.13Å; D296-D300 PolarHBondContact O-N 2.92Å
297	W	98.8	Very high	98.1	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-44.5	176.1	162.5	80.9	0	0	0	112.4	F186 A188 A219 V222 E223 F232 S293 S294 R299 D300 I301	F186-W297 HydrophobicContact CB-CB 3.72Å; F186-W297 HydrophobicContact CB-CD2 4.48Å; F186-W297 HydrophobicContact CB-CG 3.98Å; F186-W297 HydrophobicContact CD1-CB 4.39Å; F186-W297 AromaticContact CD1-CD2 3.61Å; F186-W297 HydrophobicContact CD1-CD2 3.61Å; F186-W297 AromaticContact CD1-CE3 3.51Å; F186-W297 HydrophobicContact CD1-CE3 3.51Å; F186-W297 HydrophobicContact CD1-CG 4.01Å; F186-W297 HydrophobicContact CD1-CZ3 4.04Å; F186-W297 HydrophobicContact CE1-CD2 4.34Å; F186-W297 AromaticContact CE1-CE3 3.85Å; F186-W297 HydrophobicContact CE1-CE3 3.85Å; F186-W297 HydrophobicContact CE1-CH2 4.46Å; F186-W297 AromaticContact CE1-CZ3 3.94Å; F186-W297 HydrophobicContact CE1-CZ3 3.94Å; F186-W297 HydrophobicContact CG-CB 4.39Å; F186-W297 HydrophobicContact CG-CD2 4.44Å; F186-W297 HydrophobicContact CG-CE3 4.45Å; F186-W297 HydrophobicContact CG-CG 4.43Å; A188-W297 HydrophobicContact CB-CB 3.81Å; A219-W297 VanDerWaalsContact CA-CH2 3.49Å; A219-W297 HydrophobicContact CB-CH2 4.08Å; A219-W297 HydrophobicContact CB-CZ2 3.68Å; V222-W297 HydrophobicContact CB-CH2 3.77Å; V222-W297 HydrophobicContact CB-CZ3 4.35Å; V222-W297 HydrophobicContact CG1-CH2 3.57Å; V222-W297 HydrophobicContact CG1-CZ3 3.92Å; E223-W297 HydrophobicContact CG-CZ2 3.82Å; E223-W297 WeakPolarHBondContact OE1-CZ2 3.47Å; E223-W297 PolarHBondContact OE1-NE1 3.22Å; F232-W297 HydrophobicContact CE2-CZ3 4.2Å; S293-W297 PolarHBondContact O-N 2.94Å; S293-W297 VanDerWaalsContact O-N 3.1Å; S294-W297 PolarHBondContact O-N 3.41Å; W297-R299 PolarHBondContact O-N 3.15Å; W297-D300 PolarHBondContact O-N 3.41Å; W297-I301 HydrophobicContact CH2-CD1 3.94Å; W297-I301 HydrophobicContact CZ2-CD1 3.8Å; W297-I301 HydrophobicContact CZ3-CD1 4.44Å; W297-I301 PolarHBondContact O-N 3.38Å
298	A	98.8	Very high	98.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.7	-39.1	175.9	0	0	0	0	0	111.4	F232 S294 D296 I301 I303	F232-A298 HydrophobicContact CB-CB 3.87Å; F232-A298 HydrophobicContact CD1-CB 3.81Å; F232-A298 HydrophobicContact CD2-CB 3.76Å; F232-A298 HydrophobicContact CE1-CB 4.3Å; F232-A298 HydrophobicContact CE2-CB 4.26Å; F232-A298 HydrophobicContact CG-CB 3.53Å; S294-A298 WeakPolarHBondContact O-CB 3.19Å; S294-A298 PolarHBondContact O-N 3.47Å; D296-A298 PolarHBondContact O-N 3.23Å; A298-I301 VanDerWaalsContact O-CG1 3.26Å; A298-I301 WeakPolarHBondContact O-CG1 3.47Å; A298-I303 HydrophobicContact CB-CD1 4.05Å; A298-I303 VanDerWaalsContact O-CB 3.28Å; A298-I303 WeakPolarHBondContact O-CB 3.33Å; A298-I303 PolarHBondContact O-N 3.18Å
299	R	98.2	Very high	98.4	Very high	35 Å²	35	13.2 Å²	13.2	13%	0.132	9%	0.086	C	C	.	.	H	α-helix	trans	-69.9	-38.8	176	-177.5	59.4	-172.3	82.6	-4.6	112.6	P245 Y246 S254 N255 R295 D296 W297 G302 I303	P245-R299 HydrophobicContact CB-CB 4.1Å; P245-R299 HydrophobicContact CB-CG 4.11Å; P245-R299 HydrophobicContact CG-CB 3.67Å; P245-R299 HydrophobicContact CG-CG 3.94Å; Y246-R299 HydrophobicContact CE1-CB 4.23Å; Y246-R299 HydrophobicContact CE1-CG 4.13Å; S254-R299 PolarHBondContact OG-NH2 3.15Å; N255-R299 PolarHBondContact OD1-NE 3.18Å; N255-R299 PolarHBondContact OD1-NH2 3.5Å; R295-R299 PolarHBondContact O-N 2.65Å; D296-R299 WeakPolarHBondContact O-CB 3.24Å; D296-R299 PolarHBondContact O-N 3.28Å; D296-R299 VanDerWaalsContact O-N 3.13Å; W297-R299 PolarHBondContact O-N 3.15Å; R299-G302 PolarHBondContact O-N 3.15Å; R299-G302 VanDerWaalsContact O-N 3.17Å; R299-I303 WeakPolarHBondContact CD-O 3.02Å
300	D	98.2	Very high	98.5	Very high	65 Å²	65	12.4 Å²	12.4	35%	0.348	8%	0.075	S	C	.	.	H	α-helix	trans	-67	-34.5	-179.6	-74	-18.2	0	0	0	112.8	Y246 Y248 D296 W297 G302	Y246-D300 WeakPolarHBondContact CE1-OD1 3.34Å; Y246-D300 VanDerWaalsContact CZ-OD1 3.27Å; Y246-D300 PolarHBondContact OH-OD1 3.31Å; Y248-D300 PolarHBondContact OH-OD1 3Å; Y248-D300 PolarHBondContact OH-OD2 3.32Å; D296-D300 PolarHBondContact O-N 2.92Å; W297-D300 PolarHBondContact O-N 3.41Å; D300-G302 PolarHBondContact O-N 3.41Å
301	I	98.3	Very high	98.6	Very high	35 Å²	35	12.2 Å²	12.2	18%	0.179	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.2	174.7	68.3	169.4	0	0	0	113.6	V222 E223 K226 W297 A298 I303	V222-I301 HydrophobicContact CG1-CD1 3.95Å; E223-I301 HydrophobicContact CG-CD1 3.92Å; E223-I301 HydrophobicContact CG-CG2 4.4Å; K226-I301 HydrophobicContact CB-CD1 4.23Å; W297-I301 HydrophobicContact CH2-CD1 3.94Å; W297-I301 HydrophobicContact CZ2-CD1 3.8Å; W297-I301 HydrophobicContact CZ3-CD1 4.44Å; W297-I301 PolarHBondContact O-N 3.38Å; A298-I301 VanDerWaalsContact O-CG1 3.26Å; A298-I301 WeakPolarHBondContact O-CG1 3.47Å; I301-I303 HydrophobicContact CD1-CD1 4.13Å; I301-I303 HydrophobicContact CG1-CD1 4.41Å; I301-I303 HydrophobicContact CG1-CG1 4.43Å
302	G	98.1	Very high	98.6	Very high	46 Å²	46	13.6 Å²	13.6	47%	0.474	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.8	6.1	169.9	0	0	0	0	0	116.4	R299 D300	R299-G302 PolarHBondContact O-N 3.15Å; R299-G302 VanDerWaalsContact O-N 3.17Å; D300-G302 PolarHBondContact O-N 3.41Å
303	I	98.6	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.			trans	-68.2	124.1	175.3	-62.4	168.3	0	0	0	108.6	V222 I229 F232 A298 R299 I301	V222-I303 HydrophobicContact CG1-CD1 3.71Å; I229-I303 HydrophobicContact CB-CD1 4.15Å; I229-I303 HydrophobicContact CB-CG1 4.23Å; I229-I303 HydrophobicContact CD1-CD1 4.4Å; I229-I303 HydrophobicContact CG2-CD1 3.83Å; I229-I303 HydrophobicContact CG2-CG1 4.14Å; I229-I303 HydrophobicContact CG2-CG2 3.94Å; F232-I303 HydrophobicContact CB-CD1 4.36Å; F232-I303 HydrophobicContact CB-CG2 4.09Å; F232-I303 HydrophobicContact CD2-CD1 4.31Å; A298-I303 HydrophobicContact CB-CD1 4.05Å; A298-I303 VanDerWaalsContact O-CB 3.28Å; A298-I303 WeakPolarHBondContact O-CB 3.33Å; A298-I303 PolarHBondContact O-N 3.18Å; R299-I303 WeakPolarHBondContact CD-O 3.02Å; I301-I303 HydrophobicContact CD1-CD1 4.13Å; I301-I303 HydrophobicContact CG1-CD1 4.41Å; I301-I303 HydrophobicContact CG1-CG1 4.43Å
304	P	98	Very high	98.5	Very high	40 Å²	40	18.4 Å²	18.4	26%	0.26	11%	0.112	S	C	.	.	S	Bend	trans	-70.5	-43	-167.4	21.1	-27.7	0	0	0	112.5	L230 N255	L230-P304 HydrophobicContact CD2-CG 4.48Å; L230-P304 WeakPolarHBondContact O-CG 3.45Å; N255-P304 PolarHBondContact ND2-O 2.91Å
305	F	98.8	Very high	98.4	Very high	5 Å²	5	20.2 Å²	20.2	2%	0.022	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.5	178.4	-64.5	-81.4	0	0	0	110.6	L230 C231 F232 E258 M259 V262 Y307 V344 K347	L230-F305 PolarHBondContact O-N 3.41Å; C231-F305 CarbonylContact C-O 3.6Å; C231-F305 VanDerWaalsContact CA-O 3.24Å; C231-F305 WeakPolarHBondContact CA-O 3.37Å; C231-F305 HydrophobicContact CB-CB 4.1Å; F232-F305 PolarHBondContact N-O 3.48Å; E258-F305 HydrophobicContact CG-CE1 4.14Å; E258-F305 HydrophobicContact CG-CZ 4.42Å; M259-F305 HydrophobicContact CG-CD1 4.15Å; V262-F305 HydrophobicContact CG2-CE1 4.08Å; F305-Y307 HydrophobicContact CB-CE2 3.98Å; F305-Y307 HydrophobicContact CD1-CE2 4.22Å; F305-V344 HydrophobicContact CB-CG2 4.22Å; F305-V344 HydrophobicContact CD1-CG2 4.41Å; F305-V344 HydrophobicContact CD2-CB 4.43Å; F305-V344 HydrophobicContact CD2-CG1 4.32Å; F305-V344 HydrophobicContact CD2-CG2 3.62Å; F305-V344 HydrophobicContact CE2-CB 4.44Å; F305-V344 HydrophobicContact CE2-CG2 3.93Å; F305-V344 HydrophobicContact CG-CG2 3.84Å; F305-V344 HydrophobicContact CZ-CG2 4.44Å; F305-K347 HydrophobicContact CE2-CD 3.61Å; F305-K347 HydrophobicContact CZ-CD 3.51Å
306	S	98.7	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.6	178.9	-175.7	0	0	0	0	109.5	F232 P245 R295	F232-S306 CarbonylContact O-C 3.54Å; F232-S306 WeakPolarHBondContact O-CA 3.49Å; P245-S306 WeakPolarHBondContact CD-O 3.25Å; R295-S306 VanDerWaalsContact CA-OG 3.32Å; R295-S306 WeakPolarHBondContact CA-OG 3.16Å; R295-S306 WeakPolarHBondContact CG-OG 3.4Å; R295-S306 PolarHBondContact O-OG 3.04Å
307	Y	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.4	-177.5	-59.9	-82.7	0	0	0	112	F232 L233 T234 I242 L243 T244 M259 V262 F305 V340	F232-Y307 PolarHBondContact O-N 2.87Å; L233-Y307 HydrophobicContact CD2-CD2 3.95Å; L233-Y307 HydrophobicContact CD2-CG 4.47Å; T234-Y307 PolarHBondContact N-O 3.34Å; I242-Y307 HydrophobicContact CG2-CD1 3.89Å; I242-Y307 HydrophobicContact CG2-CG 4.48Å; L243-Y307 WeakPolarHBondContact O-CA 3.25Å; T244-Y307 HydrophobicContact CG2-CD1 3.83Å; T244-Y307 HydrophobicContact CG2-CE1 3.59Å; M259-Y307 VanDerWaalsContact CA-OH 3.24Å; M259-Y307 WeakPolarHBondContact CA-OH 3.4Å; M259-Y307 HydrophobicContact CB-CE1 4.18Å; M259-Y307 WeakPolarHBondContact O-CE1 3.46Å; M259-Y307 PolarHBondContact O-OH 3.06Å; M259-Y307 VanDerWaalsContact O-OH 3.11Å; V262-Y307 WeakPolarHBondContact CB-OH 3.26Å; V262-Y307 HydrophobicContact CG1-CE2 4.45Å; V262-Y307 WeakPolarHBondContact CG1-OH 3.48Å; F305-Y307 HydrophobicContact CB-CE2 3.98Å; F305-Y307 HydrophobicContact CD1-CE2 4.22Å; Y307-V340 HydrophobicContact CD2-CG1 4.21Å; Y307-V340 HydrophobicContact CE2-CG1 3.88Å
308	T	98.9	Very high	98.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.9	161.7	-58.5	0	0	0	0	108.2	T234 H236 I242 L243 R295 E310	T234-T308 HydrophobicContact CG2-CG2 4.28Å; T234-T308 WeakPolarHBondContact CG2-OG1 3.26Å; T234-T308 VanDerWaalsContact O-CA 3.31Å; T234-T308 WeakPolarHBondContact O-CA 3.38Å; H236-T308 HydrophobicContact CB-CG2 4.29Å; H236-T308 VanDerWaalsContact CD2-CG2 3.45Å; H236-T308 WeakPolarHBondContact CD2-CG2 3.42Å; I242-T308 CarbonylContact C-O 3.38Å; L243-T308 HydrophobicContact CD1-CG2 4.23Å; L243-T308 PolarHBondContact N-O 3.47Å; L243-T308 PolarHBondContact O-N 2.63Å; R295-T308 WeakPolarHBondContact CB-OG1 3.27Å; R295-T308 WeakPolarHBondContact CD-OG1 3.31Å; R295-T308 PolarHBondContact NH1-OG1 2.86Å; T308-E310 HydrophobicContact CG2-CG 4.48Å
309	F	98.9	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.8	170	-80.4	-104.1	0	0	0	109.1	L233 T234 M235 H236 L241 I242 L311 A336 V337 V340	L233-F309 HydrophobicContact CD2-CE2 3.98Å; T234-F309 PolarHBondContact O-N 2.89Å; M235-F309 HydrophobicContact CE-CB 3.28Å; M235-F309 HydrophobicContact CE-CD1 4.23Å; M235-F309 HydrophobicContact CE-CD2 4.16Å; M235-F309 HydrophobicContact CE-CG 3.65Å; M235-F309 HydrophobicContact SD-CB 3.81Å; M235-F309 HydrophobicContact SD-CD2 3.96Å; M235-F309 HydrophobicContact SD-CG 4.05Å; H236-F309 CarbonylContact C-O 3.59Å; H236-F309 WeakPolarHBondContact CA-O 3.33Å; H236-F309 WeakPolarHBondContact CB-O 3.08Å; H236-F309 PolarHBondContact N-O 3.16Å; H236-F309 VanDerWaalsContact O-O 3.09Å; L241-F309 WeakPolarHBondContact O-CA 3.39Å; I242-F309 HydrophobicContact CD1-CD1 4.3Å; I242-F309 HydrophobicContact CD1-CE1 3.6Å; I242-F309 HydrophobicContact CD1-CZ 4.09Å; I242-F309 HydrophobicContact CG1-CD1 3.92Å; I242-F309 HydrophobicContact CG1-CE1 3.7Å; I242-F309 HydrophobicContact CG1-CZ 4.29Å; I242-F309 HydrophobicContact CG2-CE1 4.25Å; I242-F309 HydrophobicContact CG2-CE2 4.19Å; I242-F309 HydrophobicContact CG2-CZ 3.99Å; F309-L311 HydrophobicContact CB-CD2 4.09Å; F309-A336 HydrophobicContact CE1-CB 3.89Å; F309-V337 HydrophobicContact CZ-CG2 4.48Å; F309-V340 HydrophobicContact CZ-CG2 4.23Å
310	E	98.9	Very high	98.3	Very high	22 Å²	22	35.1 Å²	35.1	10%	0.103	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	103.5	168.2	-62.2	-71.3	178.8	0	0	107.5	H236 S237 Q240 L241 L243 Y278 T308	H236-E310 VanDerWaalsContact CB-OE2 3.23Å; H236-E310 WeakPolarHBondContact CB-OE2 3.48Å; S237-E310 PolarHBondContact N-OE2 2.8Å; Q240-E310 CarbonylContact C-O 3.54Å; Q240-E310 WeakPolarHBondContact CA-O 3.45Å; Q240-E310 PolarHBondContact N-O 3.41Å; L241-E310 HydrophobicContact CB-CB 3.91Å; L241-E310 HydrophobicContact CB-CG 4.08Å; L241-E310 HydrophobicContact CD1-CG 4.27Å; L241-E310 HydrophobicContact CG-CB 4.28Å; L241-E310 HydrophobicContact CG-CG 4.49Å; L241-E310 PolarHBondContact N-O 3.08Å; L241-E310 PolarHBondContact O-N 2.85Å; L243-E310 HydrophobicContact CD1-CG 4.13Å; Y278-E310 VanDerWaalsContact CE1-O 3.24Å; Y278-E310 WeakPolarHBondContact CE1-O 3.39Å; T308-E310 HydrophobicContact CG2-CG 4.48Å
311	L	98.9	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-172.7	-173.8	-59.1	-173.5	0	0	0	112.7	I113 F117 M235 H236 Y238 G239 Q240 Y278 F309 T329 T333	I113-L311 HydrophobicContact CG1-CD1 4.26Å; I113-L311 HydrophobicContact CG2-CB 4.11Å; I113-L311 HydrophobicContact CG2-CD1 4.37Å; F117-L311 HydrophobicContact CB-CD1 3.93Å; F117-L311 HydrophobicContact CG-CD1 4.33Å; M235-L311 HydrophobicContact CE-CD1 4.38Å; M235-L311 HydrophobicContact CE-CD2 3.83Å; M235-L311 HydrophobicContact CE-CG 4.37Å; H236-L311 WeakPolarHBondContact O-CB 3.43Å; H236-L311 VanDerWaalsContact O-CG 3.26Å; H236-L311 WeakPolarHBondContact O-CG 3.32Å; H236-L311 PolarHBondContact O-N 3.31Å; Y238-L311 WeakPolarHBondContact CA-O 3.42Å; G239-L311 PolarHBondContact N-O 2.76Å; G239-L311 VanDerWaalsContact N-O 3.17Å; Q240-L311 PolarHBondContact N-O 3.16Å; Y278-L311 VanDerWaalsContact OH-CA 3.32Å; Y278-L311 WeakPolarHBondContact OH-CA 3.33Å; F309-L311 HydrophobicContact CB-CD2 4.09Å; L311-T329 HydrophobicContact CB-CG2 4.16Å; L311-T329 HydrophobicContact CD1-CG2 4.42Å; L311-T333 HydrophobicContact CD2-CG2 3.58Å; L311-T333 WeakPolarHBondContact CD2-OG1 3.31Å
312	R	98.8	Very high	98.4	Very high	29 Å²	29	32.6 Å²	32.6	11%	0.109	20%	0.201	C	C	.	.	S	Bend	trans	-56.6	152.6	176.9	-71.6	-160.5	-168.4	-176.6	1.6	111.9	T276 Y278 L321 T329 E332	T276-R312 HydrophobicContact CG2-CG 4.46Å; T276-R312 PolarHBondContact OG1-NH2 3.05Å; Y278-R312 PolarHBondContact OH-N 3.15Å; R312-L321 HydrophobicContact CB-CD1 4.38Å; R312-L321 HydrophobicContact CB-CD2 3.99Å; R312-T329 HydrophobicContact CB-CG2 4.03Å; R312-T329 WeakPolarHBondContact CD-OG1 3.45Å; R312-T329 HydrophobicContact CG-CG2 4.02Å; R312-E332 IonicContact CZ-OE1 3.98Å; R312-E332 IonicContact CZ-OE2 2.76Å; R312-E332 IonicContact NE-OE1 3.8Å; R312-E332 PolarHBondContact NE-OE1 2.83Å; R312-E332 IonicContact NE-OE2 3.32Å; R312-E332 VanDerWaalsContact NH2-CD 3.29Å; R312-E332 IonicContact NH2-OE1 3.56Å; R312-E332 PolarHBondContact NH2-OE1 2.89Å; R312-E332 IonicContact NH2-OE2 3.17Å; R312-E332 PolarHBondContact NH2-OE2 3.15Å
313	D	98.5	Very high	98.4	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	20%	0.198	C	C	.	.			cis	-108	-152.9	-3.4	63.8	10.3	0	0	0	111.7	Y238 G239 G315 T316 Y317 G318 L321	Y238-D313 WeakPolarHBondContact CB-O 3.24Å; G239-D313 WeakPolarHBondContact CA-O 3.02Å; G239-D313 PolarHBondContact N-O 2.96Å; D313-G315 WeakPolarHBondContact OD1-CA 3.48Å; D313-G315 PolarHBondContact OD1-N 3.32Å; D313-T316 PolarHBondContact OD1-N 3.24Å; D313-T316 WeakPolarHBondContact OD2-CB 3.42Å; D313-T316 PolarHBondContact OD2-N 2.73Å; D313-Y317 WeakPolarHBondContact OD2-CB 3.39Å; D313-Y317 VanDerWaalsContact OD2-CD2 3.27Å; D313-Y317 WeakPolarHBondContact OD2-CD2 3.22Å; D313-Y317 PolarHBondContact OD2-N 3.24Å; D313-G318 WeakPolarHBondContact OD1-CA 3.19Å; D313-G318 PolarHBondContact OD1-N 3.4Å; D313-L321 HydrophobicContact CB-CD1 4.13Å
314	S	96.7	Very high	98.4	Very high	88 Å²	88	38.7 Å²	38.7	62%	0.615	23%	0.232	S	C	*	.	S	Bend	trans	-100.8	19.3	174.4	64.2	0	0	0	0	113.5
315	G	96.1	Very high	98.4	Very high	39 Å²	39	39.6 Å²	39.6	40%	0.402	23%	0.232	S	C	.	.	S	Bend	trans	115.8	1.3	173.9	0	0	0	0	0	116.4	D313	D313-G315 WeakPolarHBondContact OD1-CA 3.48Å; D313-G315 PolarHBondContact OD1-N 3.32Å
316	T	97.9	Very high	98.4	Very high	112 Å²	112	39.3 Å²	39.3	69%	0.687	23%	0.231	S	C	*	.	S	Bend	trans	-66.4	-48.7	177.2	-58.5	0	0	0	0	111	D313	D313-T316 PolarHBondContact OD1-N 3.24Å; D313-T316 WeakPolarHBondContact OD2-CB 3.42Å; D313-T316 PolarHBondContact OD2-N 2.73Å
317	Y	98.2	Very high	98.4	Very high	115 Å²	115	42.8 Å²	42.8	45%	0.451	25%	0.248	S	C	.	.	S	Bend	trans	-109.7	-27.9	174.5	-57.3	-74.7	0	0	0	111.4	D313 F319 V320 L321 P322	D313-Y317 WeakPolarHBondContact OD2-CB 3.39Å; D313-Y317 VanDerWaalsContact OD2-CD2 3.27Å; D313-Y317 WeakPolarHBondContact OD2-CD2 3.22Å; D313-Y317 PolarHBondContact OD2-N 3.24Å; Y317-F319 PolarHBondContact O-N 3.25Å; Y317-V320 WeakPolarHBondContact O-CG2 3.32Å; Y317-V320 PolarHBondContact O-N 3.01Å; Y317-V320 VanDerWaalsContact O-N 3.16Å; Y317-L321 HydrophobicContact CD2-CD1 4.13Å; Y317-P322 HydrophobicContact CD1-CG 3.75Å; Y317-P322 HydrophobicContact CD2-CG 4.19Å; Y317-P322 HydrophobicContact CE1-CG 3.62Å; Y317-P322 HydrophobicContact CE2-CG 4.07Å; Y317-P322 VanDerWaalsContact CG-CD 3.43Å; Y317-P322 HydrophobicContact CG-CG 4.03Å
318	G	98.4	Very high	98.4	Very high	5 Å²	5	44.3 Å²	44.3	5%	0.052	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	55.3	-121.2	-176.7	0	0	0	0	0	111.6	Y238 D313 V320	Y238-G318 VanDerWaalsContact CE1-CA 3.46Å; D313-G318 WeakPolarHBondContact OD1-CA 3.19Å; D313-G318 PolarHBondContact OD1-N 3.4Å; G318-V320 VanDerWaalsContact C-N 3.26Å; G318-V320 PolarHBondContact O-N 2.97Å
319	F	98.6	Very high	98.4	Very high	44 Å²	44	44.3 Å²	44.3	19%	0.193	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-74.9	-9.9	-175.9	-51.8	-61.4	0	0	0	114.7	R110 E111 R163 L164 S237 Y238 Y317	R110-F319 HydrophobicContact CB-CB 4.43Å; R110-F319 HydrophobicContact CG-CB 4.23Å; R110-F319 HydrophobicContact CG-CD1 4Å; R110-F319 HydrophobicContact CG-CD2 4.33Å; R110-F319 HydrophobicContact CG-CE1 4.46Å; R110-F319 HydrophobicContact CG-CG 3.93Å; E111-F319 HydrophobicContact CG-CD1 3.85Å; E111-F319 HydrophobicContact CG-CE1 3.97Å; R163-F319 PolarHBondContact NH2-O 3.39Å; L164-F319 HydrophobicContact CD2-CB 4.43Å; S237-F319 VanDerWaalsContact O-CE1 3.24Å; S237-F319 WeakPolarHBondContact O-CE1 3.37Å; Y238-F319 AromaticContact CD1-CD1 3.67Å; Y238-F319 HydrophobicContact CD1-CD1 3.67Å; Y238-F319 HydrophobicContact CD1-CD2 4.41Å; Y238-F319 AromaticContact CD1-CE1 3.49Å; Y238-F319 HydrophobicContact CD1-CE1 3.49Å; Y238-F319 VanDerWaalsContact CD1-CE1 3.49Å; Y238-F319 HydrophobicContact CD1-CE2 4.25Å; Y238-F319 HydrophobicContact CD1-CG 4.13Å; Y238-F319 AromaticContact CD1-CZ 3.79Å; Y238-F319 HydrophobicContact CD1-CZ 3.79Å; Y238-F319 HydrophobicContact CE1-CD1 4.07Å; Y238-F319 HydrophobicContact CE1-CD2 4.01Å; Y238-F319 AromaticContact CE1-CE1 3.74Å; Y238-F319 HydrophobicContact CE1-CE1 3.74Å; Y238-F319 AromaticContact CE1-CE2 3.66Å; Y238-F319 HydrophobicContact CE1-CE2 3.66Å; Y238-F319 HydrophobicContact CE1-CG 4.2Å; Y238-F319 AromaticContact CE1-CZ 3.5Å; Y238-F319 HydrophobicContact CE1-CZ 3.5Å; Y317-F319 PolarHBondContact O-N 3.25Å
320	V	98.4	Very high	98.4	Very high	78 Å²	78	44.3 Å²	44.3	47%	0.473	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-108.8	41.2	178.4	-66.8	0	0	0	0	111.4	R163 L164 Y317 G318	R163-V320 HydrophobicContact CG-CG1 4.47Å; L164-V320 HydrophobicContact CD2-CG1 4.48Å; Y317-V320 WeakPolarHBondContact O-CG2 3.32Å; Y317-V320 PolarHBondContact O-N 3.01Å; Y317-V320 VanDerWaalsContact O-N 3.16Å; G318-V320 VanDerWaalsContact C-N 3.26Å; G318-V320 PolarHBondContact O-N 2.97Å
321	L	98.7	Very high	98.4	Very high	3 Å²	3	45 Å²	45	2%	0.016	26%	0.261	C	S	.	.			trans	-55.2	124.9	178.5	-172.1	71.9	0	0	0	111	Y50 I113 R312 D313 Y317 Q325	Y50-L321 WeakPolarHBondContact CE2-O 3.41Å; Y50-L321 PolarHBondContact OH-O 3.36Å; I113-L321 HydrophobicContact CB-CD2 4.22Å; I113-L321 HydrophobicContact CD1-CD2 4.16Å; I113-L321 HydrophobicContact CG1-CD2 3.91Å; R312-L321 HydrophobicContact CB-CD1 4.38Å; R312-L321 HydrophobicContact CB-CD2 3.99Å; D313-L321 HydrophobicContact CB-CD1 4.13Å; Y317-L321 HydrophobicContact CD2-CD1 4.13Å; L321-Q325 HydrophobicContact CD1-CB 3.91Å; L321-Q325 HydrophobicContact CD1-CG 4.12Å; L321-Q325 HydrophobicContact CD2-CB 4.03Å; L321-Q325 HydrophobicContact CG-CB 3.78Å; L321-Q325 HydrophobicContact CG-CG 4.44Å
322	P	98.8	Very high	98.4	Very high	44 Å²	44	45 Å²	45	29%	0.286	26%	0.261	S	S	.	.			trans	-60.7	150.3	-176.4	-25.4	33.7	0	0	0	113.5	Y317 A324 Q325	Y317-P322 HydrophobicContact CD1-CG 3.75Å; Y317-P322 HydrophobicContact CD2-CG 4.19Å; Y317-P322 HydrophobicContact CE1-CG 3.62Å; Y317-P322 HydrophobicContact CE2-CG 4.07Å; Y317-P322 VanDerWaalsContact CG-CD 3.43Å; Y317-P322 HydrophobicContact CG-CG 4.03Å; P322-A324 PolarHBondContact O-N 2.83Å; P322-Q325 WeakPolarHBondContact O-CB 3.29Å; P322-Q325 PolarHBondContact O-N 2.87Å
323	E	98.7	Very high	98.4	Very high	89 Å²	89	43.6 Å²	43.6	42%	0.416	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-57.9	-34.3	179.5	-68.3	-173.4	150.6	0	0	113.2	I49 Y50 Q325 I326	I49-E323 WeakPolarHBondContact CA-OE1 3.09Å; I49-E323 VanDerWaalsContact CB-OE1 3.3Å; I49-E323 WeakPolarHBondContact CB-OE1 3.42Å; I49-E323 WeakPolarHBondContact CG2-OE2 3.45Å; Y50-E323 HydrophobicContact CD2-CG 3.87Å; Y50-E323 HydrophobicContact CE2-CG 4.08Å; Y50-E323 PolarHBondContact N-OE1 3.1Å; Y50-E323 VanDerWaalsContact N-OE1 3.15Å; E323-Q325 PolarHBondContact O-N 2.96Å; E323-I326 HydrophobicContact CB-CD1 4.1Å; E323-I326 HydrophobicContact CG-CD1 4.08Å; E323-I326 WeakPolarHBondContact O-CB 3.36Å; E323-I326 WeakPolarHBondContact O-CG1 3.44Å; E323-I326 PolarHBondContact O-N 3.46Å
324	A	98.6	Very high	98.5	Very high	86 Å²	86	43.4 Å²	43.4	71%	0.711	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59.5	-17.6	174	0	0	0	0	0	114.1	P322 P328	P322-A324 PolarHBondContact O-N 2.83Å; A324-P328 WeakPolarHBondContact O-CD 3.3Å
325	Q	98.8	Very high	98.6	Very high	58 Å²	58	42.1 Å²	42.1	27%	0.271	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-94.5	-7.7	175.9	-65.9	-74.8	-18.8	0	0	112.9	L321 P322 E323 T329	L321-Q325 HydrophobicContact CD1-CB 3.91Å; L321-Q325 HydrophobicContact CD1-CG 4.12Å; L321-Q325 HydrophobicContact CD2-CB 4.03Å; L321-Q325 HydrophobicContact CG-CB 3.78Å; L321-Q325 HydrophobicContact CG-CG 4.44Å; P322-Q325 WeakPolarHBondContact O-CB 3.29Å; P322-Q325 PolarHBondContact O-N 2.87Å; E323-Q325 PolarHBondContact O-N 2.96Å; Q325-T329 VanDerWaalsContact O-CB 3.23Å; Q325-T329 WeakPolarHBondContact O-CB 3.44Å; Q325-T329 PolarHBondContact O-N 3.05Å; Q325-T329 PolarHBondContact O-OG1 3.38Å
326	I	98.9	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-55.4	-179.6	-67.5	170.5	0	0	0	110.1	Y47 Y50 I113 A116 E323 T329 C330	Y47-I326 VanDerWaalsContact O-CG2 3.28Å; Y47-I326 WeakPolarHBondContact O-CG2 3.48Å; Y50-I326 HydrophobicContact CD1-CD1 3.8Å; Y50-I326 HydrophobicContact CD2-CD1 4.09Å; Y50-I326 HydrophobicContact CE1-CD1 3.62Å; Y50-I326 HydrophobicContact CE1-CG1 3.84Å; Y50-I326 HydrophobicContact CE2-CD1 3.94Å; Y50-I326 HydrophobicContact CE2-CG1 4.38Å; Y50-I326 HydrophobicContact CG-CD1 4.04Å; I113-I326 HydrophobicContact CD1-CB 4.26Å; I113-I326 HydrophobicContact CD1-CG1 4Å; I113-I326 HydrophobicContact CD1-CG2 4.26Å; A116-I326 HydrophobicContact CB-CG2 4.15Å; E323-I326 HydrophobicContact CB-CD1 4.1Å; E323-I326 HydrophobicContact CG-CD1 4.08Å; E323-I326 WeakPolarHBondContact O-CB 3.36Å; E323-I326 WeakPolarHBondContact O-CG1 3.44Å; E323-I326 PolarHBondContact O-N 3.46Å; I326-T329 PolarHBondContact O-N 2.85Å; I326-C330 WeakPolarHBondContact O-CB 3.16Å; I326-C330 PolarHBondContact O-N 3.21Å; I326-C330 PolarHBondContact O-SG 2.9Å
327	Q	98.8	Very high	98.7	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-59.6	-52.4	-178.7	170.3	169.3	3.9	0	0	112.6	N48 W120 T329 C330 E331	N48-Q327 PolarHBondContact ND2-OE1 3.09Å; N48-Q327 VanDerWaalsContact ND2-OE1 3.15Å; N48-Q327 WeakPolarHBondContact OD1-CB 3.39Å; W120-Q327 HydrophobicContact CH2-CB 3.97Å; W120-Q327 HydrophobicContact CH2-CG 3.61Å; W120-Q327 HydrophobicContact CZ2-CG 4.27Å; W120-Q327 HydrophobicContact CZ3-CB 4.1Å; W120-Q327 HydrophobicContact CZ3-CG 4.26Å; Q327-T329 VanDerWaalsContact C-N 3.29Å; Q327-T329 PolarHBondContact O-N 3.48Å; Q327-C330 PolarHBondContact O-N 3.01Å; Q327-C330 VanDerWaalsContact O-N 3.16Å; Q327-E331 HydrophobicContact CG-CG 4.2Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.48Å; Q327-E331 PolarHBondContact NE2-OE1 2.68Å; Q327-E331 WeakPolarHBondContact O-CB 3.11Å; Q327-E331 WeakPolarHBondContact O-CG 3.08Å; Q327-E331 PolarHBondContact O-N 3.14Å
328	P	98.8	Very high	98.8	Very high	32 Å²	32	29.9 Å²	29.9	21%	0.208	17%	0.167	C	C	.	.	H	α-helix	trans	-56	-41.7	176.6	-27.4	34.2	0	0	0	113.5	Y274 A324 E332	Y274-P328 HydrophobicContact CD2-CB 4.1Å; Y274-P328 WeakPolarHBondContact CD2-O 3.22Å; Y274-P328 HydrophobicContact CE2-CB 4.03Å; Y274-P328 WeakPolarHBondContact CE2-O 3.45Å; A324-P328 WeakPolarHBondContact O-CD 3.3Å; P328-E332 WeakPolarHBondContact O-CG 3.45Å; P328-E332 PolarHBondContact O-N 3.35Å
329	T	98.9	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-43.4	178.1	-56	0	0	0	0	111.3	I113 L311 R312 Q325 I326 Q327 E332 T333	I113-T329 HydrophobicContact CD1-CG2 4.1Å; I113-T329 HydrophobicContact CG1-CG2 3.73Å; L311-T329 HydrophobicContact CB-CG2 4.16Å; L311-T329 HydrophobicContact CD1-CG2 4.42Å; R312-T329 HydrophobicContact CB-CG2 4.03Å; R312-T329 WeakPolarHBondContact CD-OG1 3.45Å; R312-T329 HydrophobicContact CG-CG2 4.02Å; Q325-T329 VanDerWaalsContact O-CB 3.23Å; Q325-T329 WeakPolarHBondContact O-CB 3.44Å; Q325-T329 PolarHBondContact O-N 3.05Å; Q325-T329 PolarHBondContact O-OG1 3.38Å; I326-T329 PolarHBondContact O-N 2.85Å; Q327-T329 VanDerWaalsContact C-N 3.29Å; Q327-T329 PolarHBondContact O-N 3.48Å; T329-E332 WeakPolarHBondContact O-CG 3.42Å; T329-T333 VanDerWaalsContact O-CB 3.22Å; T329-T333 WeakPolarHBondContact O-CB 3.22Å; T329-T333 PolarHBondContact O-N 2.95Å; T329-T333 VanDerWaalsContact O-N 3.07Å; T329-T333 PolarHBondContact O-OG1 3.29Å
330	C	98.9	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71.1	-40.5	-176.8	-65.9	0	0	0	0	112.2	F117 W120 I326 Q327 T333 M334	F117-C330 HydrophobicContact CD2-CB 4.22Å; W120-C330 HydrophobicContact CB-CB 3.75Å; W120-C330 HydrophobicContact CD2-CB 3.42Å; W120-C330 VanDerWaalsContact CD2-CB 3.42Å; W120-C330 HydrophobicContact CE3-CB 3.91Å; W120-C330 HydrophobicContact CG-CB 3.31Å; I326-C330 WeakPolarHBondContact O-CB 3.16Å; I326-C330 PolarHBondContact O-N 3.21Å; I326-C330 PolarHBondContact O-SG 2.9Å; Q327-C330 PolarHBondContact O-N 3.01Å; Q327-C330 VanDerWaalsContact O-N 3.16Å; C330-T333 PolarHBondContact O-N 3.16Å; C330-M334 WeakPolarHBondContact O-CB 3.22Å; C330-M334 PolarHBondContact O-N 2.8Å
331	E	98.9	Very high	98.8	Very high	37 Å²	37	24.6 Å²	24.6	17%	0.173	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-42	179.5	-71.5	172.5	158.8	0	0	112.5	W120 Y274 Q327 M334 E335	W120-E331 HydrophobicContact CH2-CG 4.37Å; W120-E331 HydrophobicContact CZ2-CG 3.54Å; Y274-E331 HydrophobicContact CE2-CB 4.04Å; Y274-E331 PolarHBondContact OH-OE2 2.59Å; Q327-E331 HydrophobicContact CG-CG 4.2Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.48Å; Q327-E331 PolarHBondContact NE2-OE1 2.68Å; Q327-E331 WeakPolarHBondContact O-CB 3.11Å; Q327-E331 WeakPolarHBondContact O-CG 3.08Å; Q327-E331 PolarHBondContact O-N 3.14Å; E331-M334 WeakPolarHBondContact O-CB 3.41Å; E331-M334 PolarHBondContact O-N 3.43Å; E331-E335 PolarHBondContact O-N 3.25Å
332	E	98.9	Very high	98.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70.9	-36.5	176.2	73.2	-176.9	-170.8	0	0	111.9	L270 K273 Y274 T276 R312 P328 T329 M334 E335 A336	L270-E332 HydrophobicContact CD1-CG 4.24Å; L270-E332 HydrophobicContact CD2-CB 4.02Å; L270-E332 HydrophobicContact CD2-CG 3.81Å; L270-E332 HydrophobicContact CG-CB 3.78Å; L270-E332 HydrophobicContact CG-CG 3.73Å; L270-E332 WeakPolarHBondContact CG-O 3.43Å; K273-E332 HydrophobicContact CB-CB 3.9Å; K273-E332 HydrophobicContact CG-CB 4.19Å; Y274-E332 HydrophobicContact CD2-CB 4.04Å; T276-E332 WeakPolarHBondContact CB-OE2 3.27Å; T276-E332 PolarHBondContact OG1-OE1 3.47Å; T276-E332 PolarHBondContact OG1-OE2 3.13Å; R312-E332 IonicContact CZ-OE1 3.98Å; R312-E332 IonicContact CZ-OE2 2.76Å; R312-E332 IonicContact NE-OE1 3.8Å; R312-E332 PolarHBondContact NE-OE1 2.83Å; R312-E332 IonicContact NE-OE2 3.32Å; R312-E332 VanDerWaalsContact NH2-CD 3.29Å; R312-E332 IonicContact NH2-OE1 3.56Å; R312-E332 PolarHBondContact NH2-OE1 2.89Å; R312-E332 IonicContact NH2-OE2 3.17Å; R312-E332 PolarHBondContact NH2-OE2 3.15Å; P328-E332 WeakPolarHBondContact O-CG 3.45Å; P328-E332 PolarHBondContact O-N 3.35Å; T329-E332 WeakPolarHBondContact O-CG 3.42Å; E332-M334 VanDerWaalsContact C-N 3.29Å; E332-M334 PolarHBondContact O-N 2.9Å; E332-E335 PolarHBondContact O-N 3.41Å; E332-A336 PolarHBondContact O-N 3.43Å
333	T	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-34.6	176.3	-56	0	0	0	0	110.7	F117 M235 L311 T329 C330 E335 A336 V337	F117-T333 HydrophobicContact CD1-CG2 4.23Å; F117-T333 HydrophobicContact CD2-CG2 3.73Å; F117-T333 HydrophobicContact CE1-CG2 3.93Å; F117-T333 HydrophobicContact CE2-CG2 3.39Å; F117-T333 HydrophobicContact CG-CG2 4.13Å; F117-T333 HydrophobicContact CZ-CG2 3.5Å; F117-T333 VanDerWaalsContact CZ-CG2 3.5Å; M235-T333 HydrophobicContact CE-CG2 3.71Å; L311-T333 HydrophobicContact CD2-CG2 3.58Å; L311-T333 WeakPolarHBondContact CD2-OG1 3.31Å; T329-T333 VanDerWaalsContact O-CB 3.22Å; T329-T333 WeakPolarHBondContact O-CB 3.22Å; T329-T333 PolarHBondContact O-N 2.95Å; T329-T333 VanDerWaalsContact O-N 3.07Å; T329-T333 PolarHBondContact O-OG1 3.29Å; C330-T333 PolarHBondContact O-N 3.16Å; T333-E335 VanDerWaalsContact C-N 3.34Å; T333-E335 PolarHBondContact O-N 3.04Å; T333-A336 WeakPolarHBondContact O-CB 3.02Å; T333-A336 PolarHBondContact O-N 2.95Å; T333-V337 HydrophobicContact CG2-CG2 4.36Å; T333-V337 WeakPolarHBondContact O-CG2 3.04Å; T333-V337 PolarHBondContact O-N 3.1Å
334	M	98.8	Very high	98.7	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.044	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-42.8	174.6	-170.9	66	-177	0	0	111.6	F121 E124 I125 C330 E331 E332 A336 V337 L338	F121-M334 HydrophobicContact CD2-CE 4.06Å; F121-M334 HydrophobicContact CD2-SD 3.63Å; F121-M334 HydrophobicContact CE2-CE 4.23Å; F121-M334 HydrophobicContact CE2-SD 4.26Å; E124-M334 HydrophobicContact CB-CE 3.68Å; E124-M334 HydrophobicContact CB-CG 4.48Å; E124-M334 HydrophobicContact CB-SD 4.13Å; E124-M334 HydrophobicContact CG-CG 4.47Å; I125-M334 HydrophobicContact CD1-CE 3.77Å; I125-M334 HydrophobicContact CG1-CE 4.19Å; C330-M334 WeakPolarHBondContact O-CB 3.22Å; C330-M334 PolarHBondContact O-N 2.8Å; E331-M334 WeakPolarHBondContact O-CB 3.41Å; E331-M334 PolarHBondContact O-N 3.43Å; E332-M334 VanDerWaalsContact C-N 3.29Å; E332-M334 PolarHBondContact O-N 2.9Å; M334-A336 VanDerWaalsContact C-N 3.32Å; M334-A336 PolarHBondContact O-N 3.18Å; M334-V337 PolarHBondContact O-N 3.43Å; M334-L338 HydrophobicContact CE-CD1 3.91Å; M334-L338 HydrophobicContact CE-CD2 3.97Å; M334-L338 HydrophobicContact CE-CG 3.9Å; M334-L338 HydrophobicContact CG-CD1 4.07Å; M334-L338 HydrophobicContact CG-CG 4.39Å; M334-L338 WeakPolarHBondContact O-CB 3.44Å; M334-L338 VanDerWaalsContact O-CG 3.3Å; M334-L338 WeakPolarHBondContact O-CG 3.37Å; M334-L338 PolarHBondContact O-N 3.49Å; M334-L338 HydrophobicContact SD-CG 4.47Å
335	E	98.8	Very high	98.6	Very high	60 Å²	60	19 Å²	19	28%	0.28	10%	0.096	S	C	.	.	H	α-helix	trans	-62.8	-40.4	175.3	-66	-57.4	159.7	0	0	112	R134 A269 K273 E331 E332 T333 S339	R134-E335 IonicContact NH1-OE2 2.65Å; R134-E335 PolarHBondContact NH1-OE2 2.68Å; A269-E335 HydrophobicContact CB-CB 4.33Å; K273-E335 HydrophobicContact CD-CG 4.33Å; E331-E335 PolarHBondContact O-N 3.25Å; E332-E335 PolarHBondContact O-N 3.41Å; T333-E335 VanDerWaalsContact C-N 3.34Å; T333-E335 PolarHBondContact O-N 3.04Å; E335-S339 WeakPolarHBondContact O-CB 3.36Å; E335-S339 PolarHBondContact O-N 2.94Å
336	A	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-51.4	176	0	0	0	0	0	111.5	A266 L270 F309 E332 T333 M334 S339 V340	A266-A336 HydrophobicContact CB-CB 4.18Å; A266-A336 WeakPolarHBondContact CB-O 3.45Å; L270-A336 HydrophobicContact CB-CB 3.89Å; L270-A336 HydrophobicContact CD1-CB 3.96Å; L270-A336 HydrophobicContact CG-CB 4.4Å; F309-A336 HydrophobicContact CE1-CB 3.89Å; E332-A336 PolarHBondContact O-N 3.43Å; T333-A336 WeakPolarHBondContact O-CB 3.02Å; T333-A336 PolarHBondContact O-N 2.95Å; M334-A336 VanDerWaalsContact C-N 3.32Å; M334-A336 PolarHBondContact O-N 3.18Å; A336-S339 WeakPolarHBondContact O-CB 3.47Å; A336-S339 PolarHBondContact O-N 3.33Å; A336-V340 PolarHBondContact O-N 3.13Å
337	V	98.9	Very high	98.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-48.2	-179.3	167.8	0	0	0	0	110.3	M103 F117 F121 L233 F309 T333 M334 S339 V340 L341	M103-V337 HydrophobicContact CE-CG1 3.84Å; M103-V337 HydrophobicContact CE-CG2 4.29Å; F117-V337 HydrophobicContact CE1-CG2 4.13Å; F117-V337 HydrophobicContact CZ-CB 4.4Å; F117-V337 HydrophobicContact CZ-CG2 3.74Å; F121-V337 HydrophobicContact CD2-CG1 4.16Å; F121-V337 HydrophobicContact CE2-CG1 3.75Å; L233-V337 HydrophobicContact CD1-CG1 4.05Å; F309-V337 HydrophobicContact CZ-CG2 4.48Å; T333-V337 HydrophobicContact CG2-CG2 4.36Å; T333-V337 WeakPolarHBondContact O-CG2 3.04Å; T333-V337 PolarHBondContact O-N 3.1Å; M334-V337 PolarHBondContact O-N 3.43Å; V337-S339 PolarHBondContact O-N 3.48Å; V337-V340 WeakPolarHBondContact O-CB 3.46Å; V337-V340 PolarHBondContact O-N 3.13Å; V337-L341 HydrophobicContact CG1-CD1 3.97Å; V337-L341 HydrophobicContact CG1-CG 4.24Å; V337-L341 VanDerWaalsContact O-CG 3.29Å; V337-L341 WeakPolarHBondContact O-CG 3.39Å; V337-L341 PolarHBondContact O-N 3.07Å
338	L	98.8	Very high	98	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-34.3	177.3	-70.2	172.7	0	0	0	112	R134 I135 L138 M334 L341 D342	R134-L338 VanDerWaalsContact NH2-CB 3.3Å; R134-L338 PolarHBondContact NH2-O 3.13Å; I135-L338 HydrophobicContact CG1-CD2 4.29Å; L138-L338 HydrophobicContact CD1-CD2 3.91Å; M334-L338 HydrophobicContact CE-CD1 3.91Å; M334-L338 HydrophobicContact CE-CD2 3.97Å; M334-L338 HydrophobicContact CE-CG 3.9Å; M334-L338 HydrophobicContact CG-CD1 4.07Å; M334-L338 HydrophobicContact CG-CG 4.39Å; M334-L338 WeakPolarHBondContact O-CB 3.44Å; M334-L338 VanDerWaalsContact O-CG 3.3Å; M334-L338 WeakPolarHBondContact O-CG 3.37Å; M334-L338 PolarHBondContact O-N 3.49Å; M334-L338 HydrophobicContact SD-CG 4.47Å; L338-L341 HydrophobicContact CD2-CD1 4.32Å; L338-L341 PolarHBondContact O-N 2.69Å; L338-D342 VanDerWaalsContact O-CG 3.25Å; L338-D342 PolarHBondContact O-N 3.49Å
339	S	98.8	Very high	97.7	Very high	16 Å²	16	23.9 Å²	23.9	11%	0.112	12%	0.118	C	C	.	.	H	α-helix	trans	-63.4	-43.4	173.4	-174.6	0	0	0	0	111.8	R134 E335 A336 V337 L341 D342 D343	R134-S339 VanDerWaalsContact NH2-N 3.15Å; E335-S339 WeakPolarHBondContact O-CB 3.36Å; E335-S339 PolarHBondContact O-N 2.94Å; A336-S339 WeakPolarHBondContact O-CB 3.47Å; A336-S339 PolarHBondContact O-N 3.33Å; V337-S339 PolarHBondContact O-N 3.48Å; S339-L341 VanDerWaalsContact C-N 3.31Å; S339-L341 PolarHBondContact O-N 2.94Å; S339-D342 PolarHBondContact O-N 2.5Å; S339-D343 PolarHBondContact O-N 3.16Å
340	V	98.8	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173.7	175.7	0	0	0	0	110.3	V262 A266 Y307 F309 A336 V337 D342 D343 V344	V262-V340 HydrophobicContact CG1-CB 4.25Å; V262-V340 HydrophobicContact CG1-CG1 4.05Å; V262-V340 HydrophobicContact CG1-CG2 4.1Å; A266-V340 HydrophobicContact CB-CG2 3.68Å; Y307-V340 HydrophobicContact CD2-CG1 4.21Å; Y307-V340 HydrophobicContact CE2-CG1 3.88Å; F309-V340 HydrophobicContact CZ-CG2 4.23Å; A336-V340 PolarHBondContact O-N 3.13Å; V337-V340 WeakPolarHBondContact O-CB 3.46Å; V337-V340 PolarHBondContact O-N 3.13Å; V340-D342 VanDerWaalsContact C-N 3.33Å; V340-D342 PolarHBondContact O-N 2.86Å; V340-D343 PolarHBondContact O-N 3.09Å; V340-V344 HydrophobicContact CG1-CG2 4.08Å; V340-V344 VanDerWaalsContact O-CG2 3.23Å; V340-V344 WeakPolarHBondContact O-CG2 3.47Å; V340-V344 PolarHBondContact O-N 2.74Å
341	L	98.6	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-37	-178.5	-64.1	177.9	0	0	0	112.7	I101 F121 L138 F144 V337 L338 S339 Y345	I101-L341 HydrophobicContact CB-CD2 4.32Å; I101-L341 HydrophobicContact CD1-CD2 3.8Å; I101-L341 HydrophobicContact CG1-CD2 3.75Å; I101-L341 HydrophobicContact CG2-CD2 3.72Å; F121-L341 HydrophobicContact CE2-CD1 4.36Å; F121-L341 HydrophobicContact CZ-CD1 4.48Å; L138-L341 HydrophobicContact CD1-CB 3.91Å; L138-L341 HydrophobicContact CD1-CD1 4.1Å; L138-L341 HydrophobicContact CD2-CB 4.01Å; F144-L341 HydrophobicContact CE1-CD1 3.55Å; F144-L341 HydrophobicContact CE1-CD2 4.08Å; F144-L341 HydrophobicContact CE1-CG 4.43Å; F144-L341 HydrophobicContact CZ-CD1 3.91Å; V337-L341 HydrophobicContact CG1-CD1 3.97Å; V337-L341 HydrophobicContact CG1-CG 4.24Å; V337-L341 VanDerWaalsContact O-CG 3.29Å; V337-L341 WeakPolarHBondContact O-CG 3.39Å; V337-L341 PolarHBondContact O-N 3.07Å; L338-L341 HydrophobicContact CD2-CD1 4.32Å; L338-L341 PolarHBondContact O-N 2.69Å; S339-L341 VanDerWaalsContact C-N 3.31Å; S339-L341 PolarHBondContact O-N 2.94Å; L341-Y345 WeakPolarHBondContact O-CB 3.36Å; L341-Y345 PolarHBondContact O-N 3.44Å
342	D	98.2	Very high	92.8	Very high	54 Å²	54	33.9 Å²	33.9	29%	0.289	18%	0.177	S	C	.	.	H	α-helix	trans	-63.9	-44.7	175.5	-69.9	-31.1	0	0	0	111.8	R134 L338 S339 V340 Y345 A346	R134-D342 IonicContact CZ-OD2 3.33Å; R134-D342 IonicContact NE-OD1 2.76Å; R134-D342 IonicContact NE-OD2 3.11Å; R134-D342 PolarHBondContact NE-OD2 3.3Å; R134-D342 IonicContact NH2-OD2 3.54Å; R134-D342 PolarHBondContact NH2-OD2 3.04Å; L338-D342 VanDerWaalsContact O-CG 3.25Å; L338-D342 PolarHBondContact O-N 3.49Å; S339-D342 PolarHBondContact O-N 2.5Å; V340-D342 VanDerWaalsContact C-N 3.33Å; V340-D342 PolarHBondContact O-N 2.86Å; D342-Y345 PolarHBondContact O-N 3.13Å; D342-A346 VanDerWaalsContact O-CB 3.3Å; D342-A346 WeakPolarHBondContact O-CB 3.46Å; D342-A346 PolarHBondContact O-N 2.71Å
343	D	98	Very high	90.2	Very high	31 Å²	31	37 Å²	37	17%	0.166	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-42	177.5	-79	-69.9	0	0	0	111.8	V262 K265 S339 V340 Y345 A346 K347	V262-D343 HydrophobicContact CB-CB 4.42Å; V262-D343 HydrophobicContact CG1-CB 4.01Å; V262-D343 HydrophobicContact CG2-CB 3.64Å; K265-D343 WeakPolarHBondContact CD-OD2 3.45Å; K265-D343 IonicContact NZ-OD1 3.51Å; K265-D343 PolarHBondContact NZ-OD1 3.37Å; K265-D343 IonicContact NZ-OD2 3.31Å; S339-D343 PolarHBondContact O-N 3.16Å; V340-D343 PolarHBondContact O-N 3.09Å; D343-Y345 VanDerWaalsContact C-N 3.35Å; D343-A346 PolarHBondContact O-N 3.09Å; D343-K347 WeakPolarHBondContact O-CB 3.28Å; D343-K347 PolarHBondContact O-N 3.2Å
344	V	97.4	Very high	87.7	Confident	2 Å²	2	40 Å²	40	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-45.4	175	172.3	0	0	0	0	110.6	I101 L230 C231 F305 V340 H348	I101-V344 HydrophobicContact CD1-CG1 4.11Å; L230-V344 HydrophobicContact CB-CG1 3.74Å; L230-V344 HydrophobicContact CD1-CG1 4.15Å; C231-V344 HydrophobicContact CB-CG1 4.43Å; C231-V344 HydrophobicContact CB-CG2 4.15Å; F305-V344 HydrophobicContact CB-CG2 4.22Å; F305-V344 HydrophobicContact CD1-CG2 4.41Å; F305-V344 HydrophobicContact CD2-CB 4.43Å; F305-V344 HydrophobicContact CD2-CG1 4.32Å; F305-V344 HydrophobicContact CD2-CG2 3.62Å; F305-V344 HydrophobicContact CE2-CB 4.44Å; F305-V344 HydrophobicContact CE2-CG2 3.93Å; F305-V344 HydrophobicContact CG-CG2 3.84Å; F305-V344 HydrophobicContact CZ-CG2 4.44Å; V340-V344 HydrophobicContact CG1-CG2 4.08Å; V340-V344 VanDerWaalsContact O-CG2 3.23Å; V340-V344 WeakPolarHBondContact O-CG2 3.47Å; V340-V344 PolarHBondContact O-N 2.74Å; V344-H348 PolarHBondContact O-N 3.22Å
345	Y	96.8	Very high	84.9	Confident	17 Å²	17	41.3 Å²	41.3	7%	0.067	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-50.1	177.3	-176.9	-71.3	0	0	0	110.8	K137 L138 N141 L142 L341 D342 D343 K347 H348 W349	K137-Y345 HydrophobicContact CD-CE1 4.28Å; K137-Y345 VanDerWaalsContact CE-CD1 3.48Å; K137-Y345 HydrophobicContact CG-CE1 4.25Å; K137-Y345 HydrophobicContact CG-CE2 4.04Å; K137-Y345 WeakPolarHBondContact O-CE2 3.31Å; L138-Y345 HydrophobicContact CD2-CD2 3.99Å; L138-Y345 HydrophobicContact CD2-CG 4.25Å; N141-Y345 HydrophobicContact CB-CE2 3.89Å; N141-Y345 PolarHBondContact ND2-OH 3.04Å; L142-Y345 HydrophobicContact CD1-CD2 4.26Å; L341-Y345 WeakPolarHBondContact O-CB 3.36Å; L341-Y345 PolarHBondContact O-N 3.44Å; D342-Y345 PolarHBondContact O-N 3.13Å; D343-Y345 VanDerWaalsContact C-N 3.35Å; Y345-K347 VanDerWaalsContact C-N 3.32Å; Y345-K347 PolarHBondContact O-N 3.23Å; Y345-H348 PolarHBondContact O-N 3.26Å; Y345-H348 VanDerWaalsContact O-N 3.11Å; Y345-W349 HydrophobicContact CD1-CB 4.37Å; Y345-W349 HydrophobicContact CD1-CE3 4.48Å; Y345-W349 HydrophobicContact CD2-CE3 4.01Å; Y345-W349 HydrophobicContact CD2-CZ3 4.36Å; Y345-W349 HydrophobicContact CE1-CB 3.88Å; Y345-W349 HydrophobicContact CE1-CG 4.47Å; Y345-W349 HydrophobicContact CE2-CE3 4.25Å; Y345-W349 HydrophobicContact CG-CE3 4.15Å; Y345-W349 PolarHBondContact O-N 2.81Å
346	A	95.8	Very high	82.2	Confident	35 Å²	35	47.9 Å²	47.9	29%	0.289	26%	0.262	S	S	.	.	I	π-helix	trans	-61.6	-41.4	-177.4	0	0	0	0	0	111.5	D342 D343 H348 D350 S351	D342-A346 VanDerWaalsContact O-CB 3.3Å; D342-A346 WeakPolarHBondContact O-CB 3.46Å; D342-A346 PolarHBondContact O-N 2.71Å; D343-A346 PolarHBondContact O-N 3.09Å; A346-H348 VanDerWaalsContact C-N 3.28Å; A346-H348 PolarHBondContact O-N 3.22Å; A346-D350 WeakPolarHBondContact CA-OD2 3.12Å; A346-D350 HydrophobicContact CB-CB 4.35Å; A346-D350 WeakPolarHBondContact O-CA 3.35Å; A346-D350 VanDerWaalsContact O-CB 3.3Å; A346-D350 WeakPolarHBondContact O-CB 3.13Å; A346-D350 PolarHBondContact O-N 3.16Å; A346-S351 PolarHBondContact O-N 3Å
347	K	94.2	Very high	79.6	Confident	94 Å²	94	52.4 Å²	52.4	41%	0.409	29%	0.289	S	S	.	.	I	π-helix	trans	-60.6	-36.5	175.3	-176.7	-173.9	178.6	105.2	0	112.6	E258 F305 D343 Y345 S351	E258-K347 WeakPolarHBondContact OE1-CD 3.48Å; E258-K347 IonicContact OE1-NZ 2.74Å; E258-K347 PolarHBondContact OE1-NZ 3.25Å; E258-K347 IonicContact OE2-NZ 3.38Å; E258-K347 PolarHBondContact OE2-NZ 2.85Å; F305-K347 HydrophobicContact CE2-CD 3.61Å; F305-K347 HydrophobicContact CZ-CD 3.51Å; D343-K347 WeakPolarHBondContact O-CB 3.28Å; D343-K347 PolarHBondContact O-N 3.2Å; Y345-K347 VanDerWaalsContact C-N 3.32Å; Y345-K347 PolarHBondContact O-N 3.23Å; K347-S351 PolarHBondContact O-OG 2.79Å
348	H	93.5	Very high	77	Confident	70 Å²	70	56.3 Å²	56.3	32%	0.324	31%	0.313	S	S	.	.	I	π-helix	trans	-89.5	-33.2	-173.8	-165.2	73.6	0	0	0	113.5	L230 V344 Y345 A346	L230-H348 HydrophobicContact CD1-CB 3.91Å; V344-H348 PolarHBondContact O-N 3.22Å; Y345-H348 PolarHBondContact O-N 3.26Å; Y345-H348 VanDerWaalsContact O-N 3.11Å; A346-H348 VanDerWaalsContact C-N 3.28Å; A346-H348 PolarHBondContact O-N 3.22Å
349	W	92.6	Very high	74.5	Confident	67 Å²	67	59.3 Å²	59.3	25%	0.254	34%	0.335	S	S	.	.	I	π-helix	trans	-112.1	-30.5	-176.2	-79.2	-82.1	0	0	0	114.8	K99 N141 L142 L230 Y345	K99-W349 HydrophobicContact CB-CH2 3.86Å; K99-W349 HydrophobicContact CG-CH2 3.84Å; K99-W349 HydrophobicContact CG-CZ2 4.22Å; N141-W349 HydrophobicContact CB-CD2 4.14Å; N141-W349 HydrophobicContact CB-CE3 4.37Å; N141-W349 HydrophobicContact CB-CH2 3.77Å; N141-W349 HydrophobicContact CB-CZ2 3.52Å; N141-W349 HydrophobicContact CB-CZ3 4.2Å; N141-W349 WeakPolarHBondContact O-CH2 3.38Å; L142-W349 HydrophobicContact CD2-CH2 3.78Å; L142-W349 HydrophobicContact CD2-CZ3 3.72Å; L142-W349 HydrophobicContact CG-CH2 4.45Å; L142-W349 HydrophobicContact CG-CZ3 4.25Å; L230-W349 HydrophobicContact CD1-CH2 4.16Å; L230-W349 HydrophobicContact CD1-CZ3 3.94Å; Y345-W349 HydrophobicContact CD1-CB 4.37Å; Y345-W349 HydrophobicContact CD1-CE3 4.48Å; Y345-W349 HydrophobicContact CD2-CE3 4.01Å; Y345-W349 HydrophobicContact CD2-CZ3 4.36Å; Y345-W349 HydrophobicContact CE1-CB 3.88Å; Y345-W349 HydrophobicContact CE1-CG 4.47Å; Y345-W349 HydrophobicContact CE2-CE3 4.25Å; Y345-W349 HydrophobicContact CG-CE3 4.15Å; Y345-W349 PolarHBondContact O-N 2.81Å
350	D	82.8	Confident	72	Confident	68 Å²	68	61.3 Å²	61.3	36%	0.364	35%	0.352	S	S	.	.	I	π-helix	trans	-86.8	-24.6	-176.1	-60	-24.1	0	0	0	111	K137 A346 D352 S353	K137-D350 IonicContact NZ-OD2 2.67Å; A346-D350 WeakPolarHBondContact CA-OD2 3.12Å; A346-D350 HydrophobicContact CB-CB 4.35Å; A346-D350 WeakPolarHBondContact O-CA 3.35Å; A346-D350 VanDerWaalsContact O-CB 3.3Å; A346-D350 WeakPolarHBondContact O-CB 3.13Å; A346-D350 PolarHBondContact O-N 3.16Å; D350-D352 PolarHBondContact O-N 2.89Å; D350-S353 PolarHBondContact O-N 2.73Å; D350-S353 PolarHBondContact O-OG 2.8Å
351	S	60.4	Low	69.7	Low	65 Å²	65	65.6 Å²	65.6	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-29.9	176.2	66.5	0	0	0	0	114.4	A346 K347 S353	A346-S351 PolarHBondContact O-N 3Å; K347-S351 PolarHBondContact O-OG 2.79Å; S351-S353 VanDerWaalsContact C-N 3.29Å; S351-S353 PolarHBondContact O-N 3.49Å
352	D	50.1	Low	67.3	Low	113 Å²	113	69.8 Å²	69.8	60%	0.604	40%	0.404	S	S	*	.	H	α-helix	trans	-75.4	-19.4	178.8	-86.9	-3	0	0	0	113	D350 R356	D350-D352 PolarHBondContact O-N 2.89Å; D352-R356 PolarHBondContact O-N 3Å
353	S	45.8	Very low	64.9	Low	66 Å²	66	72.6 Å²	72.6	46%	0.462	42%	0.419	S	S	.	.	H	α-helix	trans	-73	-32.7	177.3	69.4	0	0	0	0	112.2	D350 S351 R356 V357	D350-S353 PolarHBondContact O-N 2.73Å; D350-S353 PolarHBondContact O-OG 2.8Å; S351-S353 VanDerWaalsContact C-N 3.29Å; S351-S353 PolarHBondContact O-N 3.49Å; S353-R356 PolarHBondContact O-N 2.87Å; S353-V357 VanDerWaalsContact O-CG2 3.3Å; S353-V357 WeakPolarHBondContact O-CG2 3.28Å; S353-V357 PolarHBondContact O-N 3.31Å; S353-V357 VanDerWaalsContact O-N 3.13Å
354	A	44.7	Very low	62.7	Low	62 Å²	62	76.8 Å²	76.8	51%	0.512	44%	0.44	S	S	.	.	H	α-helix	trans	-67.7	-38.8	175.6	0	0	0	0	0	112.4	V357 T358	A354-V357 PolarHBondContact O-N 2.92Å; A354-T358 PolarHBondContact O-N 2.93Å; A354-T358 PolarHBondContact O-OG1 3.18Å
355	G	40.9	Very low	60.4	Low	37 Å²	37	78.8 Å²	78.8	38%	0.381	46%	0.461	S	S	.	.	H	α-helix	trans	-67.4	-36.8	176.4	0	0	0	0	0	113.5	T358 S359	G355-T358 WeakPolarHBondContact CA-OG1 2.98Å; G355-T358 PolarHBondContact O-OG1 3.1Å; G355-S359 PolarHBondContact O-N 3.22Å; G355-S359 PolarHBondContact O-OG 3.44Å
356	R	42.7	Very low	58.1	Low	199 Å²	199	83.2 Å²	83.2	75%	0.751	49%	0.486	S	S	*	.	H	α-helix	trans	-70.3	-36.3	175.6	-76.5	-175.1	-179.4	-170.7	1.5	113.1	D352 S353 S359 A360	D352-R356 PolarHBondContact O-N 3Å; S353-R356 PolarHBondContact O-N 2.87Å; R356-S359 PolarHBondContact O-N 3.35Å; R356-A360 WeakPolarHBondContact O-CB 3.16Å; R356-A360 PolarHBondContact O-N 3.38Å; R356-A360 VanDerWaalsContact O-N 3.1Å
357	V	44.7	Very low	55.9	Low	95 Å²	95	87 Å²	87	58%	0.576	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-42.7	175.8	174.5	0	0	0	0	110.2	S353 A354 S359 A360 T361	S353-V357 VanDerWaalsContact O-CG2 3.3Å; S353-V357 WeakPolarHBondContact O-CG2 3.28Å; S353-V357 PolarHBondContact O-N 3.31Å; S353-V357 VanDerWaalsContact O-N 3.13Å; A354-V357 PolarHBondContact O-N 2.92Å; V357-S359 PolarHBondContact O-N 2.7Å; V357-A360 PolarHBondContact O-N 2.82Å; V357-T361 PolarHBondContact O-N 2.96Å; V357-T361 PolarHBondContact O-OG1 2.99Å
358	T	42.7	Very low	53.9	Low	81 Å²	81	87.5 Å²	87.5	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177.6	43.4	0	0	0	0	113.3	A354 G355 T361 V362	A354-T358 PolarHBondContact O-N 2.93Å; A354-T358 PolarHBondContact O-OG1 3.18Å; G355-T358 WeakPolarHBondContact CA-OG1 2.98Å; G355-T358 PolarHBondContact O-OG1 3.1Å; T358-T361 WeakPolarHBondContact CA-OG1 2.98Å; T358-T361 PolarHBondContact O-N 3.32Å; T358-T361 PolarHBondContact O-OG1 3.03Å; T358-V362 VanDerWaalsContact O-CG2 3.25Å; T358-V362 WeakPolarHBondContact O-CG2 3.49Å; T358-V362 PolarHBondContact O-N 2.73Å
359	S	46.1	Very low	51.7	Low	74 Å²	74	87 Å²	87	52%	0.517	52%	0.515	S	S	.	.	H	α-helix	trans	-68.9	-34.3	178	-64.1	0	0	0	0	113	G355 R356 V357 L363	G355-S359 PolarHBondContact O-N 3.22Å; G355-S359 PolarHBondContact O-OG 3.44Å; R356-S359 PolarHBondContact O-N 3.35Å; V357-S359 PolarHBondContact O-N 2.7Å; S359-L363 WeakPolarHBondContact O-CD1 3.13Å; S359-L363 PolarHBondContact O-N 2.98Å
360	A	47.3	Very low	49.6	Very low	57 Å²	57	88.1 Å²	88.1	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-70.3	-39.6	175.7	0	0	0	0	0	112.3	R356 V357 L364	R356-A360 WeakPolarHBondContact O-CB 3.16Å; R356-A360 PolarHBondContact O-N 3.38Å; R356-A360 VanDerWaalsContact O-N 3.1Å; V357-A360 PolarHBondContact O-N 2.82Å; A360-L364 PolarHBondContact O-N 3.19Å
361	T	49.8	Very low	48	Very low	90 Å²	90	93 Å²	93	55%	0.552	56%	0.555	S	S	*	*	H	α-helix	trans	-69	-33.5	174.2	36.6	0	0	0	0	113.3	V357 T358 G365	V357-T361 PolarHBondContact O-N 2.96Å; V357-T361 PolarHBondContact O-OG1 2.99Å; T358-T361 WeakPolarHBondContact CA-OG1 2.98Å; T358-T361 PolarHBondContact O-N 3.32Å; T358-T361 PolarHBondContact O-OG1 3.03Å; T361-G365 PolarHBondContact O-N 3.49Å
362	V	49.8	Very low	47.5	Very low	89 Å²	89	94.3 Å²	94.3	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-71.2	-39.2	175.6	171.9	0	0	0	0	111.2	T358 G365 L366	T358-V362 VanDerWaalsContact O-CG2 3.25Å; T358-V362 WeakPolarHBondContact O-CG2 3.49Å; T358-V362 PolarHBondContact O-N 2.73Å; V362-G365 PolarHBondContact O-N 3.13Å; V362-L366 HydrophobicContact CG1-CD1 4.1Å; V362-L366 PolarHBondContact O-N 2.75Å
363	L	47.2	Very low	47.4	Very low	113 Å²	113	96.4 Å²	96.4	59%	0.592	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-39.6	173.9	-104.9	92.4	0	0	0	112.8	S359 L366 L367	S359-L363 WeakPolarHBondContact O-CD1 3.13Å; S359-L363 PolarHBondContact O-N 2.98Å; L363-L366 PolarHBondContact O-N 2.01Å; L363-L367 PolarHBondContact O-N 3.46Å; L363-L367 VanDerWaalsContact O-N 3.17Å
364	L	51.6	Low	47.2	Very low	118 Å²	118	104 Å²	104	62%	0.618	61%	0.609	S	S	*	*	H	α-helix	trans	-66.9	-39	175.6	-112.7	83.4	0	0	0	111.9	A360 L366 L367 V368	A360-L364 PolarHBondContact O-N 3.19Å; L364-L366 VanDerWaalsContact C-N 3.33Å; L364-L366 PolarHBondContact O-N 3.23Å; L364-L367 PolarHBondContact O-N 3.43Å; L364-V368 WeakPolarHBondContact O-CG2 3.41Å; L364-V368 PolarHBondContact O-N 3.2Å; L364-V368 VanDerWaalsContact O-N 3.09Å
365	G	48	Very low	47.3	Very low	44 Å²	44	106.1 Å²	106.1	45%	0.454	61%	0.614	S	S	.	*	H	α-helix	trans	-62.5	-36.8	177.1	0	0	0	0	0	113.5	T361 V362 S369	T361-G365 PolarHBondContact O-N 3.49Å; V362-G365 PolarHBondContact O-N 3.13Å; G365-S369 PolarHBondContact O-N 2.03Å
366	L	49.1	Very low	47.6	Very low	110 Å²	110	109.7 Å²	109.7	58%	0.576	63%	0.626	S	S	*	*	H	α-helix	trans	-75.6	-30.6	177.3	-76.7	162.1	0	0	0	113.3	V362 L363 L364 S369	V362-L366 HydrophobicContact CG1-CD1 4.1Å; V362-L366 PolarHBondContact O-N 2.75Å; L363-L366 PolarHBondContact O-N 2.01Å; L364-L366 VanDerWaalsContact C-N 3.33Å; L364-L366 PolarHBondContact O-N 3.23Å; L366-S369 PolarHBondContact O-OG 3.43Å; L366-S369 VanDerWaalsContact O-OG 3.14Å
367	L	50	Low	47.9	Very low	115 Å²	115	104.7 Å²	104.7	60%	0.602	62%	0.619	S	S	*	*	H	α-helix	trans	-74.2	-34.6	175.6	-78.1	163.5	0	0	0	112.2	L363 L364 C370	L363-L367 PolarHBondContact O-N 3.46Å; L363-L367 VanDerWaalsContact O-N 3.17Å; L364-L367 PolarHBondContact O-N 3.43Å; L367-C370 PolarHBondContact O-N 3.19Å
368	V	52.8	Low	48.1	Very low	104 Å²	104	105.3 Å²	105.3	63%	0.63	62%	0.621	S	S	*	*	H	α-helix	trans	-72.8	-32.1	177.6	177.3	0	0	0	0	111.7	L364 C370 M371 S372	L364-V368 WeakPolarHBondContact O-CG2 3.41Å; L364-V368 PolarHBondContact O-N 3.2Å; L364-V368 VanDerWaalsContact O-N 3.09Å; V368-C370 VanDerWaalsContact C-N 3.32Å; V368-C370 PolarHBondContact O-N 2.94Å; V368-M371 PolarHBondContact O-N 3.21Å; V368-S372 PolarHBondContact O-OG 3.31Å
369	S	47.7	Very low	48.4	Very low	59 Å²	59	106.8 Å²	106.8	41%	0.413	63%	0.629	S	S	.	*	H	α-helix	trans	-71.9	-22.2	176.2	65.8	0	0	0	0	114.3	G365 L366 S372	G365-S369 PolarHBondContact O-N 2.03Å; L366-S369 PolarHBondContact O-OG 3.43Å; L366-S369 VanDerWaalsContact O-OG 3.14Å; S369-S372 PolarHBondContact O-OG 3.34Å
370	C	47.6	Very low	48.6	Very low	91 Å²	91	109 Å²	109	62%	0.615	64%	0.637	S	S	*	*	H	α-helix	trans	-84.5	-15.2	177.8	-85	0	0	0	0	114.2	L367 V368	L367-C370 PolarHBondContact O-N 3.19Å; V368-C370 VanDerWaalsContact C-N 3.32Å; V368-C370 PolarHBondContact O-N 2.94Å
371	M	50	Low	48.7	Very low	171 Å²	171	112.7 Å²	112.7	84%	0.842	65%	0.648	S	S	*	*	S	Bend	trans	-94.3	-4.2	177.2	-66.8	-156.4	86	0	0	114.1	V368	V368-M371 PolarHBondContact O-N 3.21Å
372	S	48.4	Very low	48.6	Very low	93 Å²	93	114.5 Å²	114.5	65%	0.65	66%	0.656	S	S	*	*	S	Bend	trans	-99.3	13.6	176.4	41.5	0	0	0	0	114.1	V368 S369	V368-S372 PolarHBondContact O-OG 3.31Å; S369-S372 PolarHBondContact O-OG 3.34Å
373	L	48.1	Very low	48.5	Very low	156 Å²	156	116.6 Å²	116.6	82%	0.817	67%	0.666	S	S	*	*			trans	-130.2	22.6	-178.5	-87.1	162.8	0	0	0	113.9
374	L	41.3	Very low	48.6	Very low	225 Å²	225	116.9 Å²	116.9	100%	1.178	67%	0.672	S	S	*	*			trans	-125	0	171.7	-89.7	160.2	0	0	0	111.5

Retrieved 374 of 374 residues in 127.7 ms (Link to these results)

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