A0A096MMR1_PAPAN Loading...

Sulfotransferase

Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to position 3 of glucosamine residues in heparan. Catalyzes the rate limiting step in the biosynthesis of heparan sulfate (HSact). This modification is a crucial step in the biosynthesis of anticoagulant heparan sulfate as it completes the structure of the antithrombin pentasaccharide binding site.

AlphaFold DB , UniProt , Accession A0A096MMR1, Species PAPAN (Papio anubis, Olive baboon), Gene HS3ST1, Length 307 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	36.6	Very low	36.7	Very low	242 Å²	242	137.7 Å²	137.7	100%	1.192	84%	0.838	S	S	*	*				0	134.9	0	-80.7	-141.5	-78.9	0	0	108.6
2	A	37.3	Very low	36.9	Very low	100 Å²	100	136.8 Å²	136.8	83%	0.826	83%	0.833	S	S	*	*			trans	59.5	112.6	165.7	0	0	0	0	0	117.4
3	A	36	Very low	37.1	Very low	89 Å²	89	133.3 Å²	133.3	74%	0.736	83%	0.826	S	S	*	*				83.3	111.1	56.8	0	0	0	0	0	114.9
4	L	37.3	Very low	37	Very low	149 Å²	149	136.4 Å²	136.4	78%	0.78	83%	0.826	S	S	*	*			trans	64	125.1	138.4	-80.2	146.9	0	0	0	121.9
5	L	37	Very low	36.8	Very low	152 Å²	152	135.4 Å²	135.4	80%	0.796	82%	0.824	S	S	*	*				169	107.1	112.5	-84.7	163.2	0	0	0	109
6	L	36.4	Very low	36.5	Very low	155 Å²	155	138.4 Å²	138.4	81%	0.812	83%	0.826	S	S	*	*				67	112.3	93.3	-93.7	158.1	0	0	0	115.6
7	G	32.7	Very low	36.3	Very low	79 Å²	79	140.3 Å²	140.3	81%	0.814	83%	0.83	S	S	*	*			trans	-168.6	89.7	166.9	0	0	0	0	0	110.8
8	A	37.9	Very low	36.4	Very low	92 Å²	92	139.5 Å²	139.5	76%	0.76	83%	0.826	S	S	*	*			trans	-84.8	134.3	-179.2	0	0	0	0	0	111.4
9	V	39.7	Very low	36.2	Very low	137 Å²	137	138.7 Å²	138.7	83%	0.83	83%	0.825	S	S	*	*			trans	-112	113.9	165.1	176.5	0	0	0	0	107.9	L11	V9-L11 PolarHBondContact O-N 3.5Å
10	L	33.5	Very low	36.2	Very low	157 Å²	157	137.3 Å²	137.3	82%	0.822	82%	0.822	S	S	*	*			trans	-75.2	113.5	174.1	-86.7	126.4	0	0	0	110
11	L	39.1	Very low	36.4	Very low	163 Å²	163	142.2 Å²	142.2	85%	0.853	83%	0.826	S	S	*	*			trans	-91.7	110.5	158.6	-106.8	140.3	0	0	0	107.8	V9 A13	V9-L11 PolarHBondContact O-N 3.5Å; L11-A13 PolarHBondContact O-N 3.24Å
12	V	39.3	Very low	36.7	Very low	127 Å²	127	135.1 Å²	135.1	77%	0.77	80%	0.798	S	S	*	*			trans	-70.8	104.9	171.8	177.3	0	0	0	0	107.9
13	A	39.2	Very low	37.2	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	79%	0.792	S	S	*	*			trans	-113.2	115.5	160.9	0	0	0	0	0	107.2	L11	L11-A13 PolarHBondContact O-N 3.24Å
14	Q	36.3	Very low	37.2	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	79%	0.787	S	S	*	*			trans	-61.2	133.9	179.1	-68	179.4	-32.9	0	0	110.2	Q16	Q14-Q16 PolarHBondContact O-N 3.19Å
15	P	33.4	Very low	37.2	Very low	122 Å²	122	136.5 Å²	136.5	79%	0.792	79%	0.787	S	S	*	*			trans	-73.3	115.6	171.4	29.3	-31	0	0	0	108.7	L17	P15-L17 PolarHBondContact O-N 2.78Å
16	Q	32.8	Very low	37.3	Very low	184 Å²	184	131.1 Å²	131.1	86%	0.86	77%	0.769	S	S	*	*			trans	-66.2	121.3	164.5	-73	-165.5	-40.4	0	0	108.5	Q14 V18	Q14-Q16 PolarHBondContact O-N 3.19Å; Q16-V18 PolarHBondContact O-N 3.18Å; Q16-V18 VanDerWaalsContact O-N 3.07Å
17	L	31.9	Very low	37.6	Very low	170 Å²	170	130 Å²	130	89%	0.89	76%	0.759	S	S	*	*			trans	-56.1	109	167.7	-88.9	129.1	0	0	0	109.2	P15 P19	P15-L17 PolarHBondContact O-N 2.78Å; L17-P19 WeakPolarHBondContact O-CD 3.16Å
18	V	38.4	Very low	38.1	Very low	126 Å²	126	132.5 Å²	132.5	76%	0.764	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-75.4	119.8	165	178.7	0	0	0	0	107.3	Q16 S20	Q16-V18 PolarHBondContact O-N 3.18Å; Q16-V18 VanDerWaalsContact O-N 3.07Å; V18-S20 PolarHBondContact O-N 3.12Å
19	P	33.5	Very low	38.5	Very low	124 Å²	124	133.5 Å²	133.5	81%	0.805	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-72.4	130.1	174.2	6	6.7	0	0	0	109.7	L17	L17-P19 WeakPolarHBondContact O-CD 3.16Å
20	S	36.5	Very low	38.9	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-86.6	125	175.3	46.7	0	0	0	0	112	V18	V18-S20 PolarHBondContact O-N 3.12Å
21	R	39.7	Very low	39.4	Very low	241 Å²	241	131 Å²	131	91%	0.909	72%	0.72	S	S	*	*			trans	78.7	154.6	160.5	-75.4	-171.8	170.3	-175.1	-2.2	119.7
22	P	43.3	Very low	39.6	Very low	93 Å²	93	132.8 Å²	132.8	60%	0.604	72%	0.715	S	S	*	*			cis	-139.5	178	-34.3	37.2	-18.5	0	0	0	114.6	E24	P22-E24 VanDerWaalsContact C-N 3.26Å; P22-E24 PolarHBondContact O-N 3.34Å
23	A	47	Very low	39.9	Very low	83 Å²	83	132.7 Å²	132.7	69%	0.686	70%	0.704	S	S	*	*			trans	-53.1	51	175.7	0	0	0	0	0	118
24	E	36.3	Very low	40.2	Very low	135 Å²	135	130.6 Å²	130.6	63%	0.631	69%	0.687	S	S	*	*	H	α-helix	trans	-89.3	-32.6	176.4	-72.9	-168.3	161.6	0	0	113.9	P22 G26 Q27 Q28	P22-E24 VanDerWaalsContact C-N 3.26Å; P22-E24 PolarHBondContact O-N 3.34Å; E24-G26 PolarHBondContact O-N 3.32Å; E24-Q27 PolarHBondContact O-N 3.39Å; E24-Q28 PolarHBondContact O-N 3.35Å; E24-Q28 VanDerWaalsContact O-N 3.15Å
25	L	37.8	Very low	40.2	Very low	149 Å²	149	123.4 Å²	123.4	78%	0.78	66%	0.66	S	S	*	*	H	α-helix	trans	-65	-41.8	-178.1	-114.8	89.2	0	0	0	112.8	E29	L25-E29 WeakPolarHBondContact O-CB 3.47Å; L25-E29 PolarHBondContact O-N 2.77Å; L25-E29 VanDerWaalsContact O-N 3.11Å
26	G	39.6	Very low	40.5	Very low	40 Å²	40	121.5 Å²	121.5	41%	0.412	65%	0.646	S	S	.	*	H	α-helix	trans	-72.2	-30.5	-178.3	0	0	0	0	0	113.5	E24 L30	E24-G26 PolarHBondContact O-N 3.32Å; G26-L30 WeakPolarHBondContact O-CB 3.31Å; G26-L30 WeakPolarHBondContact O-CD1 3.36Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 2.87Å
27	Q	42.8	Very low	41.1	Very low	132 Å²	132	118.8 Å²	118.8	62%	0.617	64%	0.637	S	S	*	*	H	α-helix	trans	-78.1	-36.7	179.2	-160.6	130.3	33.1	0	0	111.3	E24 L31	E24-Q27 PolarHBondContact O-N 3.39Å; Q27-L31 HydrophobicContact CG-CD1 4.11Å; Q27-L31 WeakPolarHBondContact O-CB 3.43Å; Q27-L31 WeakPolarHBondContact O-CD1 3.47Å; Q27-L31 WeakPolarHBondContact O-CG 3.2Å; Q27-L31 PolarHBondContact O-N 2.76Å
28	Q	41.8	Very low	41.5	Very low	131 Å²	131	117.7 Å²	117.7	61%	0.612	63%	0.628	S	S	*	*	H	α-helix	trans	-67.6	-33.2	171	-88	178.4	-12.6	0	0	112.9	E24 R32	E24-Q28 PolarHBondContact O-N 3.35Å; E24-Q28 VanDerWaalsContact O-N 3.15Å; Q28-R32 VanDerWaalsContact O-CB 3.23Å; Q28-R32 WeakPolarHBondContact O-CB 3.37Å; Q28-R32 PolarHBondContact O-N 3.2Å
29	E	46	Very low	41.4	Very low	113 Å²	113	117.1 Å²	117.1	53%	0.528	62%	0.62	S	S	.	*	H	α-helix	trans	-75.2	-35.9	176.6	-158.1	176.3	175.9	0	0	112.2	L25 K33	L25-E29 WeakPolarHBondContact O-CB 3.47Å; L25-E29 PolarHBondContact O-N 2.77Å; L25-E29 VanDerWaalsContact O-N 3.11Å; E29-K33 WeakPolarHBondContact O-CB 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.48Å; E29-K33 PolarHBondContact O-N 3.37Å
30	L	48.4	Very low	41.7	Very low	123 Å²	123	117.3 Å²	117.3	64%	0.644	62%	0.615	S	S	*	*	H	α-helix	trans	-68.5	-39.4	170	-79.4	162	0	0	0	112.3	G26 K33 A34	G26-L30 WeakPolarHBondContact O-CB 3.31Å; G26-L30 WeakPolarHBondContact O-CD1 3.36Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 2.87Å; L30-K33 PolarHBondContact O-N 2.98Å; L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.29Å; L30-A34 PolarHBondContact O-N 3.21Å
31	L	44.1	Very low	42.2	Very low	117 Å²	117	117.1 Å²	117.1	61%	0.613	61%	0.608	S	S	*	*	H	α-helix	trans	-70.5	-34.3	174.1	-73.4	164	0	0	0	111.8	Q27 A34 G35	Q27-L31 HydrophobicContact CG-CD1 4.11Å; Q27-L31 WeakPolarHBondContact O-CB 3.43Å; Q27-L31 WeakPolarHBondContact O-CD1 3.47Å; Q27-L31 WeakPolarHBondContact O-CG 3.2Å; Q27-L31 PolarHBondContact O-N 2.76Å; L31-A34 PolarHBondContact O-N 2.74Å; L31-G35 PolarHBondContact O-N 2.71Å
32	R	44.1	Very low	42.5	Very low	201 Å²	201	115.7 Å²	115.7	76%	0.758	60%	0.603	S	S	*	*	H	α-helix	trans	-67.7	-40.5	170.8	-94.7	-175.6	166	-166.5	-3.3	112	Q28 G35 T36	Q28-R32 VanDerWaalsContact O-CB 3.23Å; Q28-R32 WeakPolarHBondContact O-CB 3.37Å; Q28-R32 PolarHBondContact O-N 3.2Å; R32-G35 PolarHBondContact O-N 3.41Å; R32-T36 PolarHBondContact O-N 3.33Å; R32-T36 PolarHBondContact O-OG1 2.94Å
33	K	46.1	Very low	43.1	Very low	125 Å²	125	119.2 Å²	119.2	54%	0.543	62%	0.617	S	S	.	*	H	α-helix	trans	-67.6	-37.1	173.6	-82.1	178.7	176.1	172.1	0	112.2	E29 L30 T36 L37	E29-K33 WeakPolarHBondContact O-CB 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.48Å; E29-K33 PolarHBondContact O-N 3.37Å; L30-K33 PolarHBondContact O-N 2.98Å; K33-T36 WeakPolarHBondContact CA-OG1 3.39Å; K33-T36 PolarHBondContact O-OG1 3.47Å; K33-L37 WeakPolarHBondContact O-CB 3.25Å; K33-L37 WeakPolarHBondContact O-CD1 3.29Å; K33-L37 VanDerWaalsContact O-CG 3.23Å; K33-L37 WeakPolarHBondContact O-CG 3.5Å; K33-L37 PolarHBondContact O-N 3.08Å
34	A	45.1	Very low	43.8	Very low	48 Å²	48	117.4 Å²	117.4	40%	0.397	61%	0.606	S	S	.	*	H	α-helix	trans	-69.6	-35.2	172.8	0	0	0	0	0	112.5	L30 L31 Q38	L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.29Å; L30-A34 PolarHBondContact O-N 3.21Å; L31-A34 PolarHBondContact O-N 2.74Å; A34-Q38 PolarHBondContact O-N 3.11Å
35	G	36.1	Very low	45.7	Very low	24 Å²	24	113.9 Å²	113.9	25%	0.247	60%	0.6	C	S	.	*	H	α-helix	trans	-72.2	-40.7	174.9	0	0	0	0	0	113.3	L31 R32 L37 Q38 D39	L31-G35 PolarHBondContact O-N 2.71Å; R32-G35 PolarHBondContact O-N 3.41Å; G35-L37 VanDerWaalsContact C-N 3.35Å; G35-Q38 PolarHBondContact O-N 3.18Å; G35-Q38 VanDerWaalsContact O-N 3.08Å; G35-D39 PolarHBondContact O-N 3.05Å
36	T	39.7	Very low	48	Very low	82 Å²	82	108 Å²	108	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-34.1	173.7	28.9	0	0	0	0	112.2	R32 K33 Q38 D40	R32-T36 PolarHBondContact O-N 3.33Å; R32-T36 PolarHBondContact O-OG1 2.94Å; K33-T36 WeakPolarHBondContact CA-OG1 3.39Å; K33-T36 PolarHBondContact O-OG1 3.47Å; T36-Q38 VanDerWaalsContact C-N 3.27Å; T36-Q38 PolarHBondContact O-N 2.84Å; T36-D40 PolarHBondContact O-N 3.31Å
37	L	46.1	Very low	50.2	Low	128 Å²	128	113.1 Å²	113.1	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-69.3	-19.9	170.1	-73.9	167	0	0	0	113.8	K33 G35 V41	K33-L37 WeakPolarHBondContact O-CB 3.25Å; K33-L37 WeakPolarHBondContact O-CD1 3.29Å; K33-L37 VanDerWaalsContact O-CG 3.23Å; K33-L37 WeakPolarHBondContact O-CG 3.5Å; K33-L37 PolarHBondContact O-N 3.08Å; G35-L37 VanDerWaalsContact C-N 3.35Å; L37-V41 WeakPolarHBondContact O-CG2 3.4Å
38	Q	40.3	Very low	52.4	Low	147 Å²	147	111.5 Å²	111.5	69%	0.687	60%	0.595	S	S	*	*	H	α-helix	trans	-90	-31.6	175.1	-86.5	178.4	-2.4	0	0	112.9	A34 G35 T36	A34-Q38 PolarHBondContact O-N 3.11Å; G35-Q38 PolarHBondContact O-N 3.18Å; G35-Q38 VanDerWaalsContact O-N 3.08Å; T36-Q38 VanDerWaalsContact C-N 3.27Å; T36-Q38 PolarHBondContact O-N 2.84Å
39	D	35	Very low	54.7	Low	114 Å²	114	107.3 Å²	107.3	61%	0.61	59%	0.587	S	S	*	*	H	α-helix	trans	-78.2	-31.5	178.6	-78	-32.5	0	0	0	112.7	G35 V41 R42	G35-D39 PolarHBondContact O-N 3.05Å; D39-V41 PolarHBondContact O-N 3.02Å; D39-R42 PolarHBondContact O-N 3.5Å
40	D	40.8	Very low	57.1	Low	128 Å²	128	102.2 Å²	102.2	68%	0.684	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-71.7	-12.5	173.9	-78	-24.1	0	0	0	113.7	T36 R42	T36-D40 PolarHBondContact O-N 3.31Å; D40-R42 VanDerWaalsContact C-N 3.33Å
41	V	47.2	Very low	59.4	Low	105 Å²	105	97.8 Å²	97.8	64%	0.636	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-81	-13.8	-180	174.3	0	0	0	0	112.3	L37 D39 D43	L37-V41 WeakPolarHBondContact O-CG2 3.4Å; D39-V41 PolarHBondContact O-N 3.02Å; V41-D43 VanDerWaalsContact C-N 3.26Å; V41-D43 PolarHBondContact O-N 3.39Å
42	R	44.9	Very low	61.9	Low	212 Å²	212	95.1 Å²	95.1	80%	0.8	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-75.8	-11.5	177.7	-73.6	-175.3	175.7	-169.5	0.7	114.1	D39 D40	D39-R42 PolarHBondContact O-N 3.5Å; D40-R42 VanDerWaalsContact C-N 3.33Å
43	D	55.9	Low	64.5	Low	166 Å²	166	87.7 Å²	87.7	89%	0.888	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-89.4	1.9	179.9	-118.3	-3.5	0	0	0	114.1	V41	V41-D43 VanDerWaalsContact C-N 3.26Å; V41-D43 PolarHBondContact O-N 3.39Å
44	G	62.1	Low	67	Low	46 Å²	46	84.6 Å²	84.6	47%	0.474	49%	0.492	S	S	.	.	S	Bend	trans	-115.2	-0.2	-176.5	0	0	0	0	0	116.1
45	A	76.8	Confident	69.5	Low	61 Å²	61	82.5 Å²	82.5	50%	0.504	47%	0.474	S	S	.	.			trans	-82.6	125.3	-179.9	0	0	0	0	0	110.7
46	A	84.8	Confident	72.5	Confident	26 Å²	26	84.2 Å²	84.2	22%	0.215	48%	0.476	C	S	.	.			trans	-65.5	157.3	171.7	0	0	0	0	0	110.6	N48 G49 S50 F109	A46-N48 WeakPolarHBondContact CB-OD1 3.22Å; A46-N48 PolarHBondContact O-N 3.1Å; A46-G49 PolarHBondContact O-N 2.78Å; A46-S50 PolarHBondContact N-O 3.32Å; A46-F109 HydrophobicContact CB-CD1 3.96Å; A46-F109 HydrophobicContact CB-CE1 3.85Å
47	P	85.6	Confident	75.3	Confident	147 Å²	147	80.4 Å²	80.4	96%	0.955	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.7	-178	-26.7	34.7	0	0	0	115	G49	P47-G49 VanDerWaalsContact C-N 3.28Å
48	N	88.9	Confident	77.9	Confident	98 Å²	98	74.3 Å²	74.3	52%	0.524	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.1	176.4	68.1	-3.9	0	0	0	113.9	A46 S50	A46-N48 WeakPolarHBondContact CB-OD1 3.22Å; A46-N48 PolarHBondContact O-N 3.1Å; N48-S50 PolarHBondContact ND2-OG 3.17Å; N48-S50 WeakPolarHBondContact OD1-CB 3.42Å; N48-S50 PolarHBondContact OD1-N 3.31Å; N48-S50 PolarHBondContact OD1-OG 3.34Å
49	G	90.8	Very high	80.7	Confident	43 Å²	43	67.3 Å²	67.3	44%	0.443	39%	0.388	S	S	.	.	S	Bend	trans	83.7	2.5	-180	0	0	0	0	0	115.4	A46 P47	A46-G49 PolarHBondContact O-N 2.78Å; P47-G49 VanDerWaalsContact C-N 3.28Å
50	S	95.4	Very high	83.7	Confident	5 Å²	5	61.9 Å²	61.9	4%	0.035	36%	0.359	C	S	.	.			trans	-85.3	153.2	173.8	66.9	0	0	0	0	111.8	A46 N48 S110	A46-S50 PolarHBondContact N-O 3.32Å; N48-S50 PolarHBondContact ND2-OG 3.17Å; N48-S50 WeakPolarHBondContact OD1-CB 3.42Å; N48-S50 PolarHBondContact OD1-N 3.31Å; N48-S50 PolarHBondContact OD1-OG 3.34Å; S50-S110 WeakPolarHBondContact CA-O 3.48Å
51	A	97.1	Very high	86.5	Confident	30 Å²	30	55.8 Å²	55.8	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.1	175.5	0	0	0	0	0	110.6	S110	A51-S110 PolarHBondContact N-O 2.93Å; A51-S110 PolarHBondContact O-N 3.32Å; A51-S110 VanDerWaalsContact O-O 3.13Å; A51-S110 PolarHBondContact O-OG 3.06Å
52	Q	97.8	Very high	88.9	Confident	61 Å²	61	50.8 Å²	50.8	29%	0.285	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	137.2	167.4	-63.7	-178.6	-65.9	0	0	108.8	L104 S105 M107 F109	Q52-L104 HydrophobicContact CB-CD1 3.9Å; Q52-L104 HydrophobicContact CB-CG 4.13Å; Q52-L104 PolarHBondContact NE2-O 2.77Å; Q52-S105 VanDerWaalsContact NE2-C 3.26Å; Q52-S105 PolarHBondContact NE2-O 2.88Å; Q52-M107 HydrophobicContact CB-CB 4.49Å; Q52-M107 WeakPolarHBondContact CG-O 3.5Å; Q52-M107 PolarHBondContact NE2-O 3.42Å; Q52-F109 HydrophobicContact CG-CD1 4.44Å; Q52-F109 HydrophobicContact CG-CD2 4.08Å; Q52-F109 HydrophobicContact CG-CE1 4.3Å; Q52-F109 HydrophobicContact CG-CE2 3.94Å; Q52-F109 HydrophobicContact CG-CG 4.32Å; Q52-F109 HydrophobicContact CG-CZ 4.06Å
53	Q	97.8	Very high	91.5	Very high	46 Å²	46	44.7 Å²	44.7	22%	0.215	27%	0.273	C	S	.	.			trans	-129.6	143.4	177.8	-63.4	-176.2	69.6	0	0	109	L104 M107 S110 W111	Q53-L104 VanDerWaalsContact C-CD1 3.44Å; Q53-M107 WeakPolarHBondContact O-CB 3.46Å; Q53-M107 VanDerWaalsContact O-CG 3.24Å; Q53-M107 WeakPolarHBondContact O-CG 3.29Å; Q53-S110 PolarHBondContact NE2-OG 3.35Å; Q53-W111 PolarHBondContact NE2-O 3.08Å
54	L	98.6	Very high	93.5	Very high	60 Å²	60	38.7 Å²	38.7	31%	0.314	24%	0.239	S	C	.	.			trans	-61.5	146.5	169.3	-72.7	179.1	0	0	0	109.6	Q56 Y103 L104 M136	L54-Q56 PolarHBondContact O-N 2.91Å; L54-Q56 PolarHBondContact O-NE2 3.25Å; L54-Y103 HydrophobicContact CD2-CD1 3.65Å; L54-Y103 HydrophobicContact CD2-CE1 4.18Å; L54-Y103 HydrophobicContact CD2-CG 4.42Å; L54-L104 HydrophobicContact CD2-CB 4.05Å; L54-L104 HydrophobicContact CD2-CD1 4.28Å; L54-L104 HydrophobicContact CG-CD1 4.23Å; L54-M136 HydrophobicContact CD1-CG 4.32Å; L54-M136 HydrophobicContact CD1-SD 4.2Å; L54-M136 HydrophobicContact CD2-SD 4.36Å
55	P	98.6	Very high	95.2	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	22%	0.216	C	C	.	.			trans	-66.2	132.8	-174.2	24.8	-30.7	0	0	0	111.4	I58 Y103 M107 T116 E118 I140	P55-I58 HydrophobicContact CB-CG1 4.44Å; P55-I58 HydrophobicContact CG-CG1 4.34Å; P55-Y103 HydrophobicContact CG-CE1 3.89Å; P55-Y103 WeakPolarHBondContact CG-OH 3.49Å; P55-M107 HydrophobicContact CB-SD 4.37Å; P55-M107 HydrophobicContact CG-SD 4.17Å; P55-T116 WeakPolarHBondContact CA-O 3.2Å; P55-T116 HydrophobicContact CB-CG2 4.36Å; P55-E118 WeakPolarHBondContact CB-OE2 3.32Å; P55-E118 WeakPolarHBondContact CG-OE2 3.45Å; P55-I140 WeakPolarHBondContact O-CD1 3.5Å
56	Q	98.8	Very high	96.2	Very high	60 Å²	60	34.8 Å²	34.8	28%	0.28	21%	0.205	S	C	.	.	S	Bend	trans	-87	-13.6	173	-59.2	82.8	10.4	0	0	111.8	L54 L115 T116 I140 R141	L54-Q56 PolarHBondContact O-N 2.91Å; L54-Q56 PolarHBondContact O-NE2 3.25Å; Q56-L115 HydrophobicContact CB-CD2 3.93Å; Q56-L115 HydrophobicContact CG-CD2 4.27Å; Q56-T116 PolarHBondContact N-O 3.48Å; Q56-T116 VanDerWaalsContact N-O 3.1Å; Q56-T116 PolarHBondContact OE1-O 3.03Å; Q56-I140 WeakPolarHBondContact O-CG1 3.44Å; Q56-R141 PolarHBondContact O-N 3.12Å
57	T	98.9	Very high	96.9	Very high	2 Å²	2	34 Å²	34	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.1	170.3	-175	0	0	0	0	112.1	V117 R141 L235	T57-V117 HydrophobicContact CG2-CB 3.77Å; T57-V117 HydrophobicContact CG2-CG2 3.81Å; T57-V117 WeakPolarHBondContact O-CA 3.34Å; T57-R141 WeakPolarHBondContact CA-O 3.43Å; T57-R141 PolarHBondContact OG1-O 3.16Å; T57-L235 HydrophobicContact CG2-CD1 4.06Å; T57-L235 HydrophobicContact CG2-CD2 3.97Å
58	I	98.9	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.8	179.6	-52.5	179.3	0	0	0	110.1	P55 I60 F90 E118 Y123 V133 M136 I140 R141 L142 L143	P55-I58 HydrophobicContact CB-CG1 4.44Å; P55-I58 HydrophobicContact CG-CG1 4.34Å; I58-I60 HydrophobicContact CB-CG2 4.02Å; I58-I60 HydrophobicContact CG2-CG2 3.65Å; I58-I60 PolarHBondContact O-N 3.34Å; I58-F90 HydrophobicContact CD1-CE2 3.93Å; I58-E118 WeakPolarHBondContact CD1-OE1 3.22Å; I58-E118 VanDerWaalsContact CG1-OE1 3.29Å; I58-E118 WeakPolarHBondContact CG1-OE1 3.19Å; I58-E118 WeakPolarHBondContact CG1-OE2 3.34Å; I58-E118 WeakPolarHBondContact CG2-OE1 3.49Å; I58-Y123 HydrophobicContact CG2-CD2 3.88Å; I58-Y123 HydrophobicContact CG2-CE2 3.97Å; I58-V133 HydrophobicContact CD1-CG1 3.97Å; I58-V133 HydrophobicContact CD1-CG2 4.49Å; I58-M136 HydrophobicContact CD1-CE 4.42Å; I58-I140 HydrophobicContact CD1-CD1 3.65Å; I58-I140 HydrophobicContact CG1-CD1 3.67Å; I58-R141 PolarHBondContact N-O 3.33Å; I58-L142 HydrophobicContact CB-CD2 4.06Å; I58-L143 PolarHBondContact O-N 3.45Å
59	I	98.9	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	97.1	165.4	-55.7	171	0	0	0	108.4	G61 T67 L70 L71 V117 E118 K119 T120 L143	I59-G61 VanDerWaalsContact C-N 3.35Å; I59-G61 PolarHBondContact O-N 2.98Å; I59-T67 HydrophobicContact CG2-CG2 3.95Å; I59-L70 HydrophobicContact CD1-CB 4.35Å; I59-L70 HydrophobicContact CD1-CD2 4Å; I59-L70 HydrophobicContact CD1-CG 3.87Å; I59-L70 HydrophobicContact CG1-CD2 4.17Å; I59-L70 HydrophobicContact CG2-CD2 4.1Å; I59-L71 HydrophobicContact CD1-CB 3.86Å; I59-L71 HydrophobicContact CD1-CD1 3.85Å; I59-L71 HydrophobicContact CD1-CG 4.49Å; I59-V117 HydrophobicContact CD1-CG2 4.35Å; I59-V117 HydrophobicContact CG1-CG2 4.19Å; I59-E118 PolarHBondContact N-O 2.94Å; I59-K119 HydrophobicContact CB-CB 3.89Å; I59-K119 HydrophobicContact CB-CG 4.06Å; I59-K119 HydrophobicContact CD1-CB 4.36Å; I59-K119 HydrophobicContact CG2-CB 4.47Å; I59-K119 HydrophobicContact CG2-CG 4.08Å; I59-K119 WeakPolarHBondContact O-CA 3.36Å; I59-T120 PolarHBondContact O-N 3.08Å; I59-T120 VanDerWaalsContact O-N 3.16Å; I59-L143 WeakPolarHBondContact CA-O 3.21Å; I59-L143 HydrophobicContact CB-CB 4.49Å; I59-L143 HydrophobicContact CG1-CB 3.95Å; I59-L143 HydrophobicContact CG1-CD1 3.9Å
60	I	98.9	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-14	-170	57.8	168.9	0	0	0	113.5	I58 T120 Y123 F124 L142 L143 L144 W203	I58-I60 HydrophobicContact CB-CG2 4.02Å; I58-I60 HydrophobicContact CG2-CG2 3.65Å; I58-I60 PolarHBondContact O-N 3.34Å; I60-T120 CarbonylContact C-O 3.6Å; I60-Y123 HydrophobicContact CG2-CD2 4.47Å; I60-Y123 WeakPolarHBondContact O-CB 3.41Å; I60-F124 HydrophobicContact CD1-CD2 4.08Å; I60-F124 VanDerWaalsContact O-CB 3.29Å; I60-F124 WeakPolarHBondContact O-CB 3.42Å; I60-F124 PolarHBondContact O-N 2.88Å; I60-L142 HydrophobicContact CD1-CB 4.42Å; I60-L142 HydrophobicContact CG2-CD2 3.85Å; I60-L143 WeakPolarHBondContact CG1-O 3.2Å; I60-L143 PolarHBondContact N-O 3.33Å; I60-L144 HydrophobicContact CD1-CB 4.43Å; I60-L144 HydrophobicContact CD1-CD1 4.45Å; I60-L144 HydrophobicContact CG1-CB 4.34Å; I60-L144 HydrophobicContact CG1-CD1 4.24Å; I60-W203 HydrophobicContact CB-CH2 3.8Å; I60-W203 HydrophobicContact CB-CZ2 3.88Å; I60-W203 HydrophobicContact CB-CZ3 4.48Å; I60-W203 HydrophobicContact CD1-CD2 3.69Å; I60-W203 HydrophobicContact CD1-CE3 3.79Å; I60-W203 HydrophobicContact CD1-CG 4.4Å; I60-W203 HydrophobicContact CD1-CH2 3.84Å; I60-W203 HydrophobicContact CD1-CZ2 3.73Å; I60-W203 HydrophobicContact CD1-CZ3 3.87Å; I60-W203 HydrophobicContact CG1-CH2 4.43Å; I60-W203 HydrophobicContact CG1-CZ2 4.38Å; I60-W203 HydrophobicContact CG2-CH2 3.38Å; I60-W203 HydrophobicContact CG2-CZ2 4.01Å; I60-W203 HydrophobicContact CG2-CZ3 3.86Å
61	G	98.8	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-167.8	-172.9	0	0	0	0	0	113.5	I59 I145	I59-G61 VanDerWaalsContact C-N 3.35Å; I59-G61 PolarHBondContact O-N 2.98Å; G61-I145 CarbonylContact C-O 3.59Å; G61-I145 VanDerWaalsContact O-CG2 3.25Å; G61-I145 WeakPolarHBondContact O-CG2 3.46Å; G61-I145 PolarHBondContact O-N 3.09Å
62	V	98.6	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.			cis	-87.5	154.5	-5.4	71.3	0	0	0	0	111.3	K64 G65 T67 F124 T125 I145 L146 R152 Y196	V62-K64 PolarHBondContact O-N 3.38Å; V62-K64 VanDerWaalsContact O-N 3.13Å; V62-G65 PolarHBondContact O-N 3.43Å; V62-T67 WeakPolarHBondContact O-CG2 3.44Å; V62-F124 HydrophobicContact CB-CD1 4.07Å; V62-F124 HydrophobicContact CG2-CD1 3.88Å; V62-F124 HydrophobicContact CG2-CE1 4.44Å; V62-T125 HydrophobicContact CG2-CG2 4.35Å; V62-I145 PolarHBondContact N-O 3.47Å; V62-L146 HydrophobicContact CB-CD2 3.86Å; V62-L146 HydrophobicContact CG1-CD2 3.72Å; V62-R152 HydrophobicContact CG1-CG 4.29Å; V62-Y196 HydrophobicContact CB-CE1 4.41Å; V62-Y196 HydrophobicContact CG1-CE1 3.99Å; V62-Y196 HydrophobicContact CG2-CE1 4.24Å
63	R	98.7	Very high	98.6	Very high	84 Å²	84	20.8 Å²	20.8	32%	0.317	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	122.1	167.9	169.2	168.6	169.7	151.4	-1	110.6	G65 P121 R152 D156	R63-G65 VanDerWaalsContact C-N 3.27Å; R63-G65 PolarHBondContact O-N 2.98Å; R63-P121 HydrophobicContact CB-CB 4.13Å; R63-R152 WeakPolarHBondContact O-CD 3.45Å; R63-R152 WeakPolarHBondContact O-CG 3.32Å; R63-R152 PolarHBondContact O-NH1 3.48Å; R63-D156 IonicContact CZ-OD1 3.45Å; R63-D156 IonicContact NE-OD1 2.98Å; R63-D156 PolarHBondContact NE-OD1 3.08Å; R63-D156 IonicContact NE-OD2 3.81Å; R63-D156 PolarHBondContact NE-OD2 3.3Å; R63-D156 IonicContact NH2-OD1 3.45Å; R63-D156 PolarHBondContact NH2-OD1 2.67Å
64	K	98.5	Very high	98.7	Very high	40 Å²	40	18.6 Å²	18.6	17%	0.174	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	11.1	-176.1	-49.8	-59	-62.9	-176.4	0	116.2	V62 G66 R147 R152 S155 D156 Q159	V62-K64 PolarHBondContact O-N 3.38Å; V62-K64 VanDerWaalsContact O-N 3.13Å; K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 3.03Å; K64-R147 PolarHBondContact O-NH1 3.19Å; K64-R152 HydrophobicContact CB-CG 4.21Å; K64-S155 VanDerWaalsContact CE-O 3.25Å; K64-S155 WeakPolarHBondContact CE-O 3.42Å; K64-S155 WeakPolarHBondContact CE-OG 3.49Å; K64-D156 HydrophobicContact CG-CB 4.19Å; K64-Q159 HydrophobicContact CD-CB 4.15Å; K64-Q159 HydrophobicContact CD-CG 4.48Å
65	G	98.4	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.3	171.3	0	0	0	0	0	114.7	V62 R63 I145 R147	V62-G65 PolarHBondContact O-N 3.43Å; R63-G65 VanDerWaalsContact C-N 3.27Å; R63-G65 PolarHBondContact O-N 2.98Å; G65-I145 VanDerWaalsContact O-CD1 3.28Å; G65-I145 WeakPolarHBondContact O-CD1 3.42Å; G65-I145 VanDerWaalsContact O-CG1 3.32Å; G65-I145 WeakPolarHBondContact O-CG1 3.46Å; G65-R147 WeakPolarHBondContact O-CD 3.3Å; G65-R147 WeakPolarHBondContact O-CG 3.46Å
66	G	98.4	Very high	98.6	Very high	26 Å²	26	18.2 Å²	18.2	27%	0.268	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.5	16.1	-175.7	0	0	0	0	0	114	K64 R68 A69 L70	K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 3.03Å; G66-R68 VanDerWaalsContact C-N 3.28Å; G66-R68 PolarHBondContact O-N 3.34Å; G66-R68 VanDerWaalsContact O-N 3.13Å; G66-A69 WeakPolarHBondContact O-CA 3.3Å; G66-A69 WeakPolarHBondContact O-CB 3.37Å; G66-A69 PolarHBondContact O-N 3.05Å; G66-L70 PolarHBondContact O-N 3.03Å
67	T	98.6	Very high	98.6	Very high	9 Å²	9	15.4 Å²	15.4	6%	0.055	8%	0.081	C	C	.	.	H	α-helix	trans	-50.7	-39	-177	58.2	0	0	0	0	114.4	I59 V62 L71 K119 P121 I145	I59-T67 HydrophobicContact CG2-CG2 3.95Å; V62-T67 WeakPolarHBondContact O-CG2 3.44Å; T67-L71 PolarHBondContact O-N 3.43Å; T67-K119 VanDerWaalsContact CB-CD 3.46Å; T67-K119 WeakPolarHBondContact O-CD 3.42Å; T67-P121 HydrophobicContact CG2-CB 4.13Å; T67-P121 HydrophobicContact CG2-CG 4.04Å; T67-P121 WeakPolarHBondContact OG1-CG 3.26Å; T67-I145 HydrophobicContact CG2-CG2 3.52Å
68	R	98.4	Very high	98.5	Very high	46 Å²	46	18.9 Å²	18.9	17%	0.174	10%	0.103	C	C	.	.	H	α-helix	trans	-67.2	-41.8	173.9	175.4	64.3	70.6	-172.7	1.6	112	G66 L70 L71 E72 E84 L266 K270	G66-R68 VanDerWaalsContact C-N 3.28Å; G66-R68 PolarHBondContact O-N 3.34Å; G66-R68 VanDerWaalsContact O-N 3.13Å; R68-L70 VanDerWaalsContact C-N 3.35Å; R68-L71 PolarHBondContact O-N 3.49Å; R68-E72 WeakPolarHBondContact CD-OE1 3.26Å; R68-E72 HydrophobicContact CG-CG 4.18Å; R68-E72 IonicContact CZ-OE1 3.63Å; R68-E72 IonicContact NE-OE1 2.62Å; R68-E72 IonicContact NH1-OE1 3.14Å; R68-E72 PolarHBondContact NH1-OE1 3.28Å; R68-E72 VanDerWaalsContact O-CG 3.28Å; R68-E72 WeakPolarHBondContact O-CG 3.42Å; R68-E72 PolarHBondContact O-N 3.3Å; R68-E84 PolarHBondContact NH1-O 3.12Å; R68-E84 PolarHBondContact NH2-O 2.93Å; R68-L266 HydrophobicContact CG-CD2 4.38Å; R68-K270 HydrophobicContact CB-CD 4.45Å
69	A	98.6	Very high	98.5	Very high	16 Å²	16	21 Å²	21	13%	0.132	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-49.7	175.8	0	0	0	0	0	110.2	G66 L71 E72 M73 L220 L266	G66-A69 WeakPolarHBondContact O-CA 3.3Å; G66-A69 WeakPolarHBondContact O-CB 3.37Å; G66-A69 PolarHBondContact O-N 3.05Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.43Å; A69-E72 PolarHBondContact O-N 3.27Å; A69-M73 HydrophobicContact CB-CE 4.32Å; A69-M73 HydrophobicContact CB-SD 4.48Å; A69-M73 WeakPolarHBondContact O-CB 3.42Å; A69-M73 WeakPolarHBondContact O-CG 3.13Å; A69-M73 PolarHBondContact O-N 2.88Å; A69-L220 HydrophobicContact CB-CD2 4.3Å; A69-L266 HydrophobicContact CB-CD1 3.62Å
70	L	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.2	-47	177.4	179	59.8	0	0	0	112.6	I59 G66 R68 L74 L143 I145 V215 L220 I228 V231	I59-L70 HydrophobicContact CD1-CB 4.35Å; I59-L70 HydrophobicContact CD1-CD2 4Å; I59-L70 HydrophobicContact CD1-CG 3.87Å; I59-L70 HydrophobicContact CG1-CD2 4.17Å; I59-L70 HydrophobicContact CG2-CD2 4.1Å; G66-L70 PolarHBondContact O-N 3.03Å; R68-L70 VanDerWaalsContact C-N 3.35Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 PolarHBondContact O-N 3.43Å; L70-L143 HydrophobicContact CD2-CB 4.29Å; L70-L143 HydrophobicContact CD2-CD1 4.47Å; L70-I145 HydrophobicContact CB-CD1 4.24Å; L70-I145 HydrophobicContact CD2-CB 4.06Å; L70-I145 HydrophobicContact CD2-CG2 4.15Å; L70-V215 HydrophobicContact CD1-CG1 4.49Å; L70-V215 HydrophobicContact CD1-CG2 4.25Å; L70-V215 HydrophobicContact CD2-CG2 3.99Å; L70-L220 HydrophobicContact CB-CD2 4.35Å; L70-I228 HydrophobicContact CD1-CD1 3.9Å; L70-V231 HydrophobicContact CD1-CG2 4.03Å
71	L	98.8	Very high	98.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-52.4	177.8	-172.3	73.1	0	0	0	111.5	I59 T67 R68 A69 M73 L74 S75 A82 V117 K119	I59-L71 HydrophobicContact CD1-CB 3.86Å; I59-L71 HydrophobicContact CD1-CD1 3.85Å; I59-L71 HydrophobicContact CD1-CG 4.49Å; T67-L71 PolarHBondContact O-N 3.43Å; R68-L71 PolarHBondContact O-N 3.49Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.43Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 2.97Å; L71-L74 PolarHBondContact O-N 3.12Å; L71-S75 WeakPolarHBondContact O-CB 3.44Å; L71-S75 PolarHBondContact O-N 2.74Å; L71-S75 PolarHBondContact O-OG 3.16Å; L71-A82 HydrophobicContact CD1-CB 3.79Å; L71-A82 HydrophobicContact CD2-CB 4.45Å; L71-A82 HydrophobicContact CG-CB 4.09Å; L71-V117 HydrophobicContact CD1-CG1 3.84Å; L71-V117 HydrophobicContact CD1-CG2 3.97Å; L71-K119 HydrophobicContact CB-CD 4.26Å; L71-K119 HydrophobicContact CD1-CB 4.42Å; L71-K119 HydrophobicContact CD2-CB 4.22Å; L71-K119 HydrophobicContact CD2-CD 4.41Å
72	E	98.4	Very high	98.5	Very high	32 Å²	32	23.4 Å²	23.4	15%	0.15	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-34.3	-177	-63.2	-57.2	144.6	0	0	112.8	R68 A69 L257 R264 L266	R68-E72 WeakPolarHBondContact CD-OE1 3.26Å; R68-E72 HydrophobicContact CG-CG 4.18Å; R68-E72 IonicContact CZ-OE1 3.63Å; R68-E72 IonicContact NE-OE1 2.62Å; R68-E72 IonicContact NH1-OE1 3.14Å; R68-E72 PolarHBondContact NH1-OE1 3.28Å; R68-E72 VanDerWaalsContact O-CG 3.28Å; R68-E72 WeakPolarHBondContact O-CG 3.42Å; R68-E72 PolarHBondContact O-N 3.3Å; A69-E72 PolarHBondContact O-N 3.27Å; E72-L257 HydrophobicContact CB-CD1 3.73Å; E72-L257 WeakPolarHBondContact O-CD1 3.38Å; E72-R264 PolarHBondContact O-NH2 3.02Å; E72-R264 IonicContact OE2-CZ 3.71Å; E72-R264 VanDerWaalsContact OE2-CZ 3.31Å; E72-R264 IonicContact OE2-NH1 3.46Å; E72-R264 PolarHBondContact OE2-NH1 3.17Å; E72-R264 IonicContact OE2-NH2 2.95Å; E72-R264 PolarHBondContact OE2-NH2 3.06Å; E72-L266 HydrophobicContact CB-CD2 3.99Å; E72-L266 HydrophobicContact CG-CD2 3.65Å
73	M	98.7	Very high	98.5	Very high	11 Å²	11	23.7 Å²	23.7	5%	0.054	14%	0.136	C	C	.	.	H	α-helix	trans	-71.4	-42.9	176.3	-67.5	173.4	171.9	0	0	111.2	A69 L71 S75 L76 L220 P224 I228 I241 F246 L257	A69-M73 HydrophobicContact CB-CE 4.32Å; A69-M73 HydrophobicContact CB-SD 4.48Å; A69-M73 WeakPolarHBondContact O-CB 3.42Å; A69-M73 WeakPolarHBondContact O-CG 3.13Å; A69-M73 PolarHBondContact O-N 2.88Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 2.97Å; M73-S75 VanDerWaalsContact C-N 3.33Å; M73-S75 PolarHBondContact O-N 3.07Å; M73-L76 VanDerWaalsContact O-CB 3.26Å; M73-L76 WeakPolarHBondContact O-CB 3.46Å; M73-L76 WeakPolarHBondContact O-CD1 3.39Å; M73-L76 WeakPolarHBondContact O-CG 3.35Å; M73-L76 PolarHBondContact O-N 3.36Å; M73-L220 HydrophobicContact SD-CD1 3.85Å; M73-L220 HydrophobicContact SD-CD2 4.13Å; M73-L220 HydrophobicContact SD-CG 4.03Å; M73-P224 HydrophobicContact CE-CB 3.7Å; M73-P224 HydrophobicContact CE-CG 4.33Å; M73-P224 HydrophobicContact SD-CB 3.9Å; M73-I228 HydrophobicContact CB-CD1 3.56Å; M73-I228 HydrophobicContact CB-CG1 4.02Å; M73-I228 HydrophobicContact CG-CD1 4.48Å; M73-I228 HydrophobicContact SD-CD1 4.2Å; M73-I228 HydrophobicContact SD-CG1 4.3Å; M73-I241 WeakPolarHBondContact O-CD1 3.34Å; M73-F246 HydrophobicContact CB-CE1 4.2Å; M73-F246 HydrophobicContact CE-CD1 4.39Å; M73-F246 HydrophobicContact CE-CE1 4.24Å; M73-F246 HydrophobicContact CG-CE1 3.79Å; M73-F246 HydrophobicContact SD-CE1 4.03Å; M73-L257 HydrophobicContact CE-CD2 4.28Å; M73-L257 HydrophobicContact CG-CD1 4.48Å; M73-L257 HydrophobicContact CG-CD2 3.68Å
74	L	98.6	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-34.9	177.3	-177.2	59.5	0	0	0	112	L70 L71 L76 H77 V80 L143 V231 L235 L237	L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 PolarHBondContact O-N 3.43Å; L71-L74 PolarHBondContact O-N 3.12Å; L74-L76 PolarHBondContact O-N 3.18Å; L74-L76 VanDerWaalsContact O-N 3.1Å; L74-H77 WeakPolarHBondContact O-CB 3.34Å; L74-H77 PolarHBondContact O-N 2.91Å; L74-V80 HydrophobicContact CD1-CG2 4.2Å; L74-V80 HydrophobicContact CG-CG1 4.17Å; L74-V80 HydrophobicContact CG-CG2 4.18Å; L74-L143 HydrophobicContact CD2-CD1 3.94Å; L74-V231 HydrophobicContact CD1-CG1 3.85Å; L74-V231 HydrophobicContact CD2-CG1 4.17Å; L74-L235 HydrophobicContact CD1-CD1 4.13Å; L74-L235 HydrophobicContact CD2-CD1 3.81Å; L74-L237 HydrophobicContact CD1-CD1 4.17Å
75	S	97.8	Very high	98.1	Very high	37 Å²	37	30.2 Å²	30.2	26%	0.259	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-4.9	173.9	-62.3	0	0	0	0	114.7	L71 M73 A82	L71-S75 WeakPolarHBondContact O-CB 3.44Å; L71-S75 PolarHBondContact O-N 2.74Å; L71-S75 PolarHBondContact O-OG 3.16Å; M73-S75 VanDerWaalsContact C-N 3.33Å; M73-S75 PolarHBondContact O-N 3.07Å; S75-A82 WeakPolarHBondContact OG-CB 3.44Å
76	L	98.1	Very high	98.1	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.089	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-21.4	168.5	-64.3	170.5	0	0	0	112	M73 L74 I241 N245 F246 L257 D259	M73-L76 VanDerWaalsContact O-CB 3.26Å; M73-L76 WeakPolarHBondContact O-CB 3.46Å; M73-L76 WeakPolarHBondContact O-CD1 3.39Å; M73-L76 WeakPolarHBondContact O-CG 3.35Å; M73-L76 PolarHBondContact O-N 3.36Å; L74-L76 PolarHBondContact O-N 3.18Å; L74-L76 VanDerWaalsContact O-N 3.1Å; L76-I241 HydrophobicContact CB-CD1 4.16Å; L76-I241 HydrophobicContact CB-CG1 4.06Å; L76-N245 HydrophobicContact CD1-CB 3.87Å; L76-F246 HydrophobicContact CD1-CE1 4.42Å; L76-F246 HydrophobicContact CD1-CZ 4.32Å; L76-L257 HydrophobicContact CD1-CD2 4.2Å; L76-L257 HydrophobicContact CD2-CB 4.44Å; L76-D259 HydrophobicContact CD2-CB 3.75Å
77	H	98.4	Very high	98.1	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.181	C	C	.	.	S	Bend	trans	-73.9	130.1	178.7	-170.5	-72.4	0	0	0	110	L74 D79 V80 E232 S238 Q240 I241	L74-H77 WeakPolarHBondContact O-CB 3.34Å; L74-H77 PolarHBondContact O-N 2.91Å; H77-D79 IonicContact CE1-OD2 2.77Å; H77-D79 PolarHBondContact CE1-OD2 2.86Å; H77-D79 PolarHBondContact ND1-N 3.23Å; H77-D79 PolarHBondContact O-N 3.35Å; H77-V80 HydrophobicContact CB-CB 4.34Å; H77-V80 HydrophobicContact CB-CG2 3.83Å; H77-V80 PolarHBondContact O-N 2.82Å; H77-E232 IonicContact CD2-OE1 3.63Å; H77-E232 PolarHBondContact CD2-OE1 3.23Å; H77-S238 PolarHBondContact CD2-O 2.97Å; H77-S238 PolarHBondContact NE2-O 2.83Å; H77-Q240 WeakPolarHBondContact NE2-CG 3.47Å; H77-I241 HydrophobicContact CB-CD1 3.99Å; H77-I241 HydrophobicContact CB-CG1 4.11Å
78	P	98	Very high	98.1	Very high	74 Å²	74	34 Å²	34	48%	0.481	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.4	-175.8	24.1	-34.5	0	0	0	113.3	V80 Q114 Q240	P78-V80 VanDerWaalsContact C-N 3.28Å; P78-V80 PolarHBondContact O-N 3.32Å; P78-Q114 PolarHBondContact O-NE2 2.89Å; P78-Q240 HydrophobicContact CG-CB 4.23Å; P78-Q240 HydrophobicContact CG-CG 4.05Å
79	D	98.5	Very high	98.1	Very high	44 Å²	44	31.8 Å²	31.8	24%	0.235	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	21.3	177.1	-53.1	-29.3	0	0	0	114.4	H77 H113 Q114 L115 L237	H77-D79 IonicContact CE1-OD2 2.77Å; H77-D79 PolarHBondContact CE1-OD2 2.86Å; H77-D79 PolarHBondContact ND1-N 3.23Å; H77-D79 PolarHBondContact O-N 3.35Å; D79-H113 IonicContact OD1-CD2 3.49Å; D79-H113 PolarHBondContact OD1-CD2 3.3Å; D79-H113 IonicContact OD1-NE2 2.67Å; D79-Q114 CarbonylContact O-C 3.59Å; D79-Q114 WeakPolarHBondContact O-CA 3.45Å; D79-L115 PolarHBondContact O-N 3.18Å; D79-L237 HydrophobicContact CB-CD2 4.07Å
80	V	98.6	Very high	98.2	Very high	13 Å²	13	31.1 Å²	31.1	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.4	177.4	175.9	0	0	0	0	110.9	L74 H77 P78 L115 V117 L237	L74-V80 HydrophobicContact CD1-CG2 4.2Å; L74-V80 HydrophobicContact CG-CG1 4.17Å; L74-V80 HydrophobicContact CG-CG2 4.18Å; H77-V80 HydrophobicContact CB-CB 4.34Å; H77-V80 HydrophobicContact CB-CG2 3.83Å; H77-V80 PolarHBondContact O-N 2.82Å; P78-V80 VanDerWaalsContact C-N 3.28Å; P78-V80 PolarHBondContact O-N 3.32Å; V80-L115 WeakPolarHBondContact CA-O 3.37Å; V80-V117 HydrophobicContact CG1-CG1 3.57Å; V80-L237 HydrophobicContact CG2-CD1 3.62Å
81	A	98.6	Very high	98.2	Very high	12 Å²	12	31.9 Å²	31.9	10%	0.099	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.2	170.6	0	0	0	0	0	109.6	P108 L115 T116 V117	A81-P108 HydrophobicContact CB-CB 4.45Å; A81-P108 HydrophobicContact CB-CG 3.88Å; A81-L115 PolarHBondContact N-O 3.39Å; A81-T116 CarbonylContact O-C 3.54Å; A81-T116 VanDerWaalsContact O-CA 3.26Å; A81-T116 WeakPolarHBondContact O-CA 3.28Å; A81-V117 PolarHBondContact O-N 2.82Å
82	A	98.4	Very high	98.1	Very high	27 Å²	27	37.7 Å²	37.7	22%	0.223	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.3	-176.6	0	0	0	0	0	112.6	L71 S75 E84 V117	L71-A82 HydrophobicContact CD1-CB 3.79Å; L71-A82 HydrophobicContact CD2-CB 4.45Å; L71-A82 HydrophobicContact CG-CB 4.09Å; S75-A82 WeakPolarHBondContact OG-CB 3.44Å; A82-E84 PolarHBondContact O-N 3.47Å; A82-V117 CarbonylContact C-O 3.4Å; A82-V117 VanDerWaalsContact CA-O 3.31Å; A82-V117 WeakPolarHBondContact CA-O 3.32Å; A82-V117 HydrophobicContact CB-CG1 3.81Å
83	A	98.3	Very high	98.1	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.041	21%	0.213	C	C	.	.			trans	-64.1	129.1	165	0	0	0	0	0	109.6	N85 V87 M107 V117 E118	A83-N85 PolarHBondContact O-N 3.02Å; A83-V87 HydrophobicContact CB-CG2 4.35Å; A83-M107 HydrophobicContact CB-CE 4.45Å; A83-V117 PolarHBondContact N-O 3.02Å; A83-E118 HydrophobicContact CB-CB 3.71Å
84	E	93.2	Very high	98.1	Very high	151 Å²	151	47.3 Å²	47.3	71%	0.706	24%	0.242	S	C	*	.	S	Bend	trans	-66	-41.1	-173	-173.9	178	-175.8	0	0	112	R68 A82	R68-E84 PolarHBondContact NH1-O 3.12Å; R68-E84 PolarHBondContact NH2-O 2.93Å; A82-E84 PolarHBondContact O-N 3.47Å
85	N	96.4	Very high	98.1	Very high	110 Å²	110	49 Å²	49	59%	0.588	25%	0.249	S	C	*	.	S	Bend	trans	-106.4	162.4	-172	-67	-49.5	0	0	0	113	A83 V87	A83-N85 PolarHBondContact O-N 3.02Å; N85-V87 PolarHBondContact O-N 3.01Å
86	E	98.6	Very high	98.2	Very high	72 Å²	72	50.7 Å²	50.7	34%	0.336	25%	0.251	S	S	.	.			trans	-75.3	115.7	170.3	-56.6	-175.4	173.6	0	0	108	H88 K119 P121	E86-H88 IonicContact OE2-NE2 2.8Å; E86-K119 WeakPolarHBondContact CA-O 3.35Å; E86-K119 WeakPolarHBondContact CG-O 3.37Å; E86-P121 WeakPolarHBondContact OE1-CD 3.48Å; E86-P121 WeakPolarHBondContact OE1-CG 3.48Å; E86-P121 WeakPolarHBondContact OE2-CD 3.29Å
87	V	98.6	Very high	98.2	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.079	28%	0.28	C	S	.	.			trans	-78.6	-30.7	-167.6	-174.4	0	0	0	0	112	A83 N85 F89 H95 W102 Y103 Q106 M107 E118 T120	A83-V87 HydrophobicContact CB-CG2 4.35Å; N85-V87 PolarHBondContact O-N 3.01Å; V87-F89 HydrophobicContact CG1-CB 4.09Å; V87-F89 PolarHBondContact O-N 3.27Å; V87-H95 PolarHBondContact O-ND1 2.81Å; V87-W102 HydrophobicContact CG1-CH2 4.2Å; V87-W102 HydrophobicContact CG1-CZ3 4.04Å; V87-Y103 HydrophobicContact CB-CE2 4.39Å; V87-Y103 HydrophobicContact CG1-CD2 3.76Å; V87-Y103 HydrophobicContact CG1-CE2 3.85Å; V87-Q106 HydrophobicContact CG1-CB 3.85Å; V87-Q106 HydrophobicContact CG1-CG 3.84Å; V87-M107 HydrophobicContact CG1-CE 4.45Å; V87-M107 HydrophobicContact CG2-CE 3.93Å; V87-E118 HydrophobicContact CG2-CB 3.98Å; V87-E118 HydrophobicContact CG2-CG 3.9Å; V87-T120 PolarHBondContact N-OG1 2.84Å
88	H	98.8	Very high	98.2	Very high	29 Å²	29	58.1 Å²	58.1	13%	0.134	30%	0.303	C	S	.	.			trans	54.4	33.4	-179.3	-72.4	-77.6	0	0	0	114.8	E86 D91 W92 H95 T120	E86-H88 IonicContact OE2-NE2 2.8Å; H88-D91 WeakPolarHBondContact CA-OD1 3.46Å; H88-D91 WeakPolarHBondContact CB-OD1 3.49Å; H88-D91 IonicContact CE1-OD2 3.49Å; H88-D91 IonicContact CG-OD1 2.68Å; H88-D91 IonicContact CG-OD2 3.65Å; H88-D91 IonicContact ND1-OD1 2.78Å; H88-D91 PolarHBondContact ND1-OD1 3.29Å; H88-D91 IonicContact ND1-OD2 3.58Å; H88-D91 PolarHBondContact ND1-OD2 3.21Å; H88-W92 HydrophobicContact CB-CD2 3.69Å; H88-W92 HydrophobicContact CB-CE3 4.15Å; H88-W92 HydrophobicContact CB-CG 3.91Å; H88-W92 HydrophobicContact CB-CZ2 4.15Å; H88-W92 AromaticContact CD2-CZ2 3.89Å; H88-W92 AromaticContact CG-CE2 3.63Å; H88-W92 AromaticContact CG-CZ2 3.79Å; H88-W92 AromaticContact CG-NE1 3.7Å; H88-W92 AromaticContact ND1-CD1 4Å; H88-W92 AromaticContact ND1-CE2 3.75Å; H88-W92 AromaticContact ND1-NE1 3.35Å; H88-W92 PolarHBondContact ND1-NE1 3.48Å; H88-W92 WeakPolarHBondContact O-CB 3.19Å; H88-W92 PolarHBondContact O-N 3.35Å; H88-H95 WeakPolarHBondContact O-CB 3.47Å; H88-H95 PolarHBondContact O-ND1 3Å; H88-T120 HydrophobicContact CB-CG2 4.5Å; H88-T120 PolarHBondContact N-OG1 3.17Å; H88-T120 WeakPolarHBondContact ND1-CG2 3.48Å
89	F	98.9	Very high	98.2	Very high	1 Å²	1	56 Å²	56	0%	0.004	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-50.7	-176.9	176.6	-119.5	0	0	0	112.1	V87 H95 Y96 G99 L100 W102 Y103 Y123	V87-F89 HydrophobicContact CG1-CB 4.09Å; V87-F89 PolarHBondContact O-N 3.27Å; F89-H95 HydrophobicContact CD2-CB 4.47Å; F89-H95 WeakPolarHBondContact CE2-O 3.49Å; F89-Y96 HydrophobicContact CD1-CD2 4.43Å; F89-Y96 AromaticContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CE2 4.11Å; F89-Y96 HydrophobicContact CE2-CD2 4.18Å; F89-Y96 AromaticContact CZ-CD2 3.79Å; F89-Y96 HydrophobicContact CZ-CD2 3.79Å; F89-Y96 HydrophobicContact CZ-CE2 4.14Å; F89-Y96 WeakPolarHBondContact O-CA 3.36Å; F89-Y96 WeakPolarHBondContact O-CB 3.46Å; F89-Y96 PolarHBondContact O-N 3.19Å; F89-G99 WeakPolarHBondContact CE2-O 3.45Å; F89-L100 HydrophobicContact CE1-CD2 3.78Å; F89-L100 HydrophobicContact CZ-CD2 4.01Å; F89-W102 HydrophobicContact CB-CZ3 4.04Å; F89-W102 AromaticContact CD2-CE3 3.59Å; F89-W102 HydrophobicContact CD2-CE3 3.59Å; F89-W102 AromaticContact CD2-CZ3 3.63Å; F89-W102 HydrophobicContact CD2-CZ3 3.63Å; F89-W102 HydrophobicContact CE2-CE3 4.13Å; F89-W102 HydrophobicContact CG-CZ3 4.26Å; F89-Y103 HydrophobicContact CB-CD2 3.46Å; F89-Y103 VanDerWaalsContact CB-CD2 3.46Å; F89-Y103 HydrophobicContact CB-CE2 3.71Å; F89-Y103 HydrophobicContact CB-CG 4.06Å; F89-Y103 AromaticContact CD1-CD1 3.56Å; F89-Y103 HydrophobicContact CD1-CD1 3.56Å; F89-Y103 AromaticContact CD1-CD2 3.72Å; F89-Y103 HydrophobicContact CD1-CD2 3.72Å; F89-Y103 AromaticContact CD1-CE1 3.94Å; F89-Y103 HydrophobicContact CD1-CE1 3.94Å; F89-Y103 HydrophobicContact CD1-CE2 4.09Å; F89-Y103 AromaticContact CD1-CG 3.41Å; F89-Y103 HydrophobicContact CD1-CG 3.41Å; F89-Y103 VanDerWaalsContact CD1-CG 3.41Å; F89-Y103 HydrophobicContact CD2-CD2 4.28Å; F89-Y103 HydrophobicContact CD2-CG 4.12Å; F89-Y103 AromaticContact CE1-CD1 3.75Å; F89-Y103 HydrophobicContact CE1-CD1 3.75Å; F89-Y103 HydrophobicContact CE1-CE1 4.4Å; F89-Y103 AromaticContact CE1-CG 3.82Å; F89-Y103 HydrophobicContact CE1-CG 3.82Å; F89-Y103 HydrophobicContact CE2-CG 4.45Å; F89-Y103 HydrophobicContact CG-CD1 4.21Å; F89-Y103 AromaticContact CG-CD2 3.55Å; F89-Y103 HydrophobicContact CG-CD2 3.55Å; F89-Y103 HydrophobicContact CG-CE2 4.12Å; F89-Y103 AromaticContact CG-CG 3.58Å; F89-Y103 HydrophobicContact CG-CG 3.58Å; F89-Y103 HydrophobicContact CZ-CG 4.32Å; F89-Y123 PolarHBondContact N-OH 3.16Å
90	F	98.9	Very high	98.2	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-22	-171.8	-61	-69.6	0	0	0	113.7	I58 Y96 Y103 Y123 V129 R132 V133 M136	I58-F90 HydrophobicContact CD1-CE2 3.93Å; F90-Y96 HydrophobicContact CD1-CD2 4.21Å; F90-Y96 HydrophobicContact CD1-CE2 4.03Å; F90-Y96 HydrophobicContact CE1-CE2 4.46Å; F90-Y103 AromaticContact CE2-CE1 3.9Å; F90-Y103 HydrophobicContact CE2-CE1 3.9Å; F90-Y103 AromaticContact CE2-CZ 3.74Å; F90-Y103 VanDerWaalsContact CE2-OH 3.32Å; F90-Y103 WeakPolarHBondContact CE2-OH 3.47Å; F90-Y103 HydrophobicContact CZ-CD1 4.4Å; F90-Y103 AromaticContact CZ-CE1 3.74Å; F90-Y103 HydrophobicContact CZ-CE1 3.74Å; F90-Y123 HydrophobicContact CB-CD1 4.38Å; F90-Y123 HydrophobicContact CB-CE1 4Å; F90-Y123 HydrophobicContact CD2-CD2 4.38Å; F90-Y123 HydrophobicContact CD2-CE1 4.27Å; F90-Y123 AromaticContact CD2-CE2 3.72Å; F90-Y123 HydrophobicContact CD2-CE2 3.72Å; F90-Y123 AromaticContact CD2-CZ 3.66Å; F90-Y123 HydrophobicContact CE2-CE2 4.4Å; F90-V129 HydrophobicContact CB-CB 4.29Å; F90-V129 HydrophobicContact CB-CG1 3.74Å; F90-V129 HydrophobicContact CB-CG2 3.89Å; F90-V129 HydrophobicContact CG-CG1 4.45Å; F90-R132 HydrophobicContact CB-CB 4.47Å; F90-R132 HydrophobicContact CD1-CB 3.66Å; F90-R132 HydrophobicContact CE1-CB 4.35Å; F90-R132 HydrophobicContact CG-CB 4.45Å; F90-R132 WeakPolarHBondContact O-CD 3.35Å; F90-R132 PolarHBondContact O-NH1 2.85Å; F90-V133 HydrophobicContact CB-CG2 4.47Å; F90-V133 HydrophobicContact CD1-CG2 4.14Å; F90-V133 HydrophobicContact CD2-CG2 3.58Å; F90-V133 HydrophobicContact CE1-CG2 4.21Å; F90-V133 HydrophobicContact CE2-CG2 3.7Å; F90-V133 HydrophobicContact CG-CG2 3.81Å; F90-V133 HydrophobicContact CZ-CG2 4.01Å; F90-M136 HydrophobicContact CZ-CB 4.49Å; F90-M136 HydrophobicContact CZ-CE 3.99Å; F90-M136 HydrophobicContact CZ-SD 3.83Å
91	D	98.7	Very high	98.2	Very high	17 Å²	17	59.7 Å²	59.7	9%	0.091	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-25.8	-175.7	67.4	-46.1	0	0	0	114.4	H88 A122 Y123 K128 V129	H88-D91 WeakPolarHBondContact CA-OD1 3.46Å; H88-D91 WeakPolarHBondContact CB-OD1 3.49Å; H88-D91 IonicContact CE1-OD2 3.49Å; H88-D91 IonicContact CG-OD1 2.68Å; H88-D91 IonicContact CG-OD2 3.65Å; H88-D91 IonicContact ND1-OD1 2.78Å; H88-D91 PolarHBondContact ND1-OD1 3.29Å; H88-D91 IonicContact ND1-OD2 3.58Å; H88-D91 PolarHBondContact ND1-OD2 3.21Å; D91-A122 WeakPolarHBondContact OD2-CB 3.37Å; D91-Y123 HydrophobicContact CB-CD1 4.14Å; D91-Y123 HydrophobicContact CB-CE1 4.34Å; D91-Y123 VanDerWaalsContact OD1-CE1 3.27Å; D91-Y123 WeakPolarHBondContact OD1-CE1 3.41Å; D91-K128 WeakPolarHBondContact O-CE 3.35Å; D91-K128 PolarHBondContact O-NZ 3.04Å; D91-V129 HydrophobicContact CB-CG2 3.92Å
92	W	98.7	Very high	98.2	Very high	123 Å²	123	61.9 Å²	61.9	47%	0.466	33%	0.332	S	S	.	.			trans	-95.2	126.5	175.1	-65.5	9.4	0	0	0	110.2	H88 E94 H95 Y96	H88-W92 HydrophobicContact CB-CD2 3.69Å; H88-W92 HydrophobicContact CB-CE3 4.15Å; H88-W92 HydrophobicContact CB-CG 3.91Å; H88-W92 HydrophobicContact CB-CZ2 4.15Å; H88-W92 AromaticContact CD2-CZ2 3.89Å; H88-W92 AromaticContact CG-CE2 3.63Å; H88-W92 AromaticContact CG-CZ2 3.79Å; H88-W92 AromaticContact CG-NE1 3.7Å; H88-W92 AromaticContact ND1-CD1 4Å; H88-W92 AromaticContact ND1-CE2 3.75Å; H88-W92 AromaticContact ND1-NE1 3.35Å; H88-W92 PolarHBondContact ND1-NE1 3.48Å; H88-W92 WeakPolarHBondContact O-CB 3.19Å; H88-W92 PolarHBondContact O-N 3.35Å; W92-E94 VanDerWaalsContact C-N 3.3Å; W92-E94 PolarHBondContact O-N 2.92Å; W92-H95 HydrophobicContact CB-CB 4.25Å; W92-H95 AromaticContact CE3-CE1 3.29Å; W92-H95 AromaticContact CE3-ND1 3.72Å; W92-H95 AromaticContact CE3-NE2 3.56Å; W92-H95 AromaticContact CZ3-CE1 3.59Å; W92-H95 AromaticContact CZ3-NE2 3.87Å; W92-H95 PolarHBondContact O-N 3.43Å; W92-Y96 WeakPolarHBondContact O-CB 3.31Å; W92-Y96 PolarHBondContact O-N 3.06Å
93	E	98.4	Very high	98.2	Very high	104 Å²	104	60.6 Å²	60.6	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-39	-178.7	-65.4	-53.6	135.8	0	0	112.1	H95 Y96 G97 K128 R132	E93-H95 PolarHBondContact O-N 3.39Å; E93-Y96 PolarHBondContact O-N 3.36Å; E93-G97 PolarHBondContact O-N 2.84Å; E93-K128 VanDerWaalsContact OE1-CD 3.29Å; E93-K128 WeakPolarHBondContact OE1-CD 3.36Å; E93-K128 VanDerWaalsContact OE1-CE 3.26Å; E93-K128 WeakPolarHBondContact OE1-CE 3.48Å; E93-K128 IonicContact OE1-NZ 3.47Å; E93-K128 PolarHBondContact OE1-NZ 3.06Å; E93-R132 VanDerWaalsContact CD-NH2 3.27Å; E93-R132 IonicContact OE1-CZ 3.3Å; E93-R132 IonicContact OE1-NH1 3.09Å; E93-R132 PolarHBondContact OE1-NH1 2.95Å; E93-R132 VanDerWaalsContact OE1-NH1 3.14Å; E93-R132 IonicContact OE1-NH2 2.69Å; E93-R132 PolarHBondContact OE1-NH2 3.43Å; E93-R132 IonicContact OE2-CZ 3.55Å; E93-R132 IonicContact OE2-NH1 2.85Å; E93-R132 IonicContact OE2-NH2 3.09Å; E93-R132 PolarHBondContact OE2-NH2 3.36Å
94	E	98.2	Very high	98.2	Very high	142 Å²	142	63.1 Å²	63.1	66%	0.664	33%	0.334	S	S	*	.	H	α-helix	trans	-58.2	-49.3	176.7	-178.2	178.3	-177.6	0	0	111.4	W92 G97 H98	W92-E94 VanDerWaalsContact C-N 3.3Å; W92-E94 PolarHBondContact O-N 2.92Å; E94-G97 PolarHBondContact O-N 3.21Å; E94-H98 PolarHBondContact O-CE1 2.94Å; E94-H98 VanDerWaalsContact O-CE1 3.28Å; E94-H98 PolarHBondContact O-ND1 2.78Å
95	H	98.6	Very high	98.4	Very high	35 Å²	35	58.7 Å²	58.7	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-45.5	178.6	-67.3	-176.1	0	0	0	111.7	V87 H88 F89 W92 E93 G97 H98 W102	V87-H95 PolarHBondContact O-ND1 2.81Å; H88-H95 WeakPolarHBondContact O-CB 3.47Å; H88-H95 PolarHBondContact O-ND1 3Å; F89-H95 HydrophobicContact CD2-CB 4.47Å; F89-H95 WeakPolarHBondContact CE2-O 3.49Å; W92-H95 HydrophobicContact CB-CB 4.25Å; W92-H95 AromaticContact CE3-CE1 3.29Å; W92-H95 AromaticContact CE3-ND1 3.72Å; W92-H95 AromaticContact CE3-NE2 3.56Å; W92-H95 AromaticContact CZ3-CE1 3.59Å; W92-H95 AromaticContact CZ3-NE2 3.87Å; W92-H95 PolarHBondContact O-N 3.43Å; E93-H95 PolarHBondContact O-N 3.39Å; H95-G97 VanDerWaalsContact C-N 3.26Å; H95-G97 PolarHBondContact O-N 3.35Å; H95-H98 PolarHBondContact O-N 2.91Å; H95-H98 VanDerWaalsContact O-N 3.17Å; H95-W102 HydrophobicContact CB-CE3 4.36Å; H95-W102 HydrophobicContact CB-CH2 3.67Å; H95-W102 HydrophobicContact CB-CZ2 4.32Å; H95-W102 HydrophobicContact CB-CZ3 3.7Å; H95-W102 AromaticContact CD2-CH2 3.91Å; H95-W102 AromaticContact CD2-CZ2 3.88Å; H95-W102 AromaticContact CE1-CH2 3.86Å; H95-W102 AromaticContact CG-CH2 3.4Å; H95-W102 VanDerWaalsContact CG-CH2 3.4Å; H95-W102 AromaticContact CG-CZ2 3.86Å; H95-W102 AromaticContact CG-CZ3 3.98Å; H95-W102 AromaticContact ND1-CH2 3.39Å; H95-W102 WeakPolarHBondContact ND1-CH2 3.4Å
96	Y	98.7	Very high	98.5	Very high	73 Å²	73	57.4 Å²	57.4	29%	0.286	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-36.4	180	-167	-114.3	0	0	0	112.4	F89 F90 W92 E93 H98 G99 R132	F89-Y96 HydrophobicContact CD1-CD2 4.43Å; F89-Y96 AromaticContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CD2 3.92Å; F89-Y96 HydrophobicContact CE1-CE2 4.11Å; F89-Y96 HydrophobicContact CE2-CD2 4.18Å; F89-Y96 AromaticContact CZ-CD2 3.79Å; F89-Y96 HydrophobicContact CZ-CD2 3.79Å; F89-Y96 HydrophobicContact CZ-CE2 4.14Å; F89-Y96 WeakPolarHBondContact O-CA 3.36Å; F89-Y96 WeakPolarHBondContact O-CB 3.46Å; F89-Y96 PolarHBondContact O-N 3.19Å; F90-Y96 HydrophobicContact CD1-CD2 4.21Å; F90-Y96 HydrophobicContact CD1-CE2 4.03Å; F90-Y96 HydrophobicContact CE1-CE2 4.46Å; W92-Y96 WeakPolarHBondContact O-CB 3.31Å; W92-Y96 PolarHBondContact O-N 3.06Å; E93-Y96 PolarHBondContact O-N 3.36Å; Y96-H98 PolarHBondContact O-N 3.13Å; Y96-G99 PolarHBondContact O-N 3.3Å; Y96-R132 VanDerWaalsContact CD1-CZ 3.41Å; Y96-R132 HydrophobicContact CE1-CG 4Å; Y96-R132 HydrophobicContact CE2-CB 3.8Å; Y96-R132 HydrophobicContact CE2-CG 3.86Å
97	G	98.4	Very high	98.5	Very high	68 Å²	68	54.2 Å²	54.2	70%	0.701	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-23.2	178.1	0	0	0	0	0	114.5	E93 E94 H95 G99	E93-G97 PolarHBondContact O-N 2.84Å; E94-G97 PolarHBondContact O-N 3.21Å; H95-G97 VanDerWaalsContact C-N 3.26Å; H95-G97 PolarHBondContact O-N 3.35Å; G97-G99 PolarHBondContact O-N 3.09Å
98	H	98.4	Very high	98.5	Very high	107 Å²	107	55.2 Å²	55.2	50%	0.495	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-7.9	174.8	-62.6	109.2	0	0	0	113.7	E94 H95 Y96 W102	E94-H98 PolarHBondContact O-CE1 2.94Å; E94-H98 VanDerWaalsContact O-CE1 3.28Å; E94-H98 PolarHBondContact O-ND1 2.78Å; H95-H98 PolarHBondContact O-N 2.91Å; H95-H98 VanDerWaalsContact O-N 3.17Å; Y96-H98 PolarHBondContact O-N 3.13Å; H98-W102 HydrophobicContact CB-CB 3.39Å; H98-W102 HydrophobicContact CB-CD2 4.17Å; H98-W102 HydrophobicContact CB-CG 3.52Å
99	G	98.4	Very high	98.4	Very high	29 Å²	29	58.9 Å²	58.9	30%	0.299	32%	0.318	S	S	.	.	H	α-helix	trans	74.2	-178.7	175.1	0	0	0	0	0	115.2	F89 Y96 G97 G101 W102 Y103	F89-G99 WeakPolarHBondContact CE2-O 3.45Å; Y96-G99 PolarHBondContact O-N 3.3Å; G97-G99 PolarHBondContact O-N 3.09Å; G99-G101 VanDerWaalsContact C-N 3.28Å; G99-G101 PolarHBondContact O-N 3.29Å; G99-W102 PolarHBondContact O-N 3.25Å; G99-Y103 PolarHBondContact O-N 3Å
100	L	98.4	Very high	98.4	Very high	78 Å²	78	58.9 Å²	58.9	41%	0.408	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-25.3	-173.4	-68.1	177.6	0	0	0	113.8	F89 Y103 L104 M136	F89-L100 HydrophobicContact CE1-CD2 3.78Å; F89-L100 HydrophobicContact CZ-CD2 4.01Å; L100-Y103 HydrophobicContact CD2-CD1 4.16Å; L100-Y103 PolarHBondContact O-N 2.81Å; L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.48Å; L100-M136 HydrophobicContact CD1-CG 4.24Å; L100-M136 HydrophobicContact CD2-CB 4.26Å; L100-M136 HydrophobicContact CD2-CG 3.78Å; L100-M136 HydrophobicContact CD2-SD 3.84Å
101	G	98.3	Very high	98.3	Very high	56 Å²	56	65 Å²	65	58%	0.577	34%	0.341	S	S	*	.	H	α-helix	trans	-63.3	-43.1	175.2	0	0	0	0	0	112.1	G99 L104 S105	G99-G101 VanDerWaalsContact C-N 3.28Å; G99-G101 PolarHBondContact O-N 3.29Å; G101-L104 PolarHBondContact O-N 3.22Å; G101-S105 PolarHBondContact O-N 3.04Å
102	W	98.4	Very high	98.1	Very high	59 Å²	59	69.2 Å²	69.2	22%	0.223	37%	0.369	C	S	.	.	H	α-helix	trans	-65.3	-40.3	173.3	177.3	93.8	0	0	0	111.8	V87 F89 H95 H98 G99 S105 Q106	V87-W102 HydrophobicContact CG1-CH2 4.2Å; V87-W102 HydrophobicContact CG1-CZ3 4.04Å; F89-W102 HydrophobicContact CB-CZ3 4.04Å; F89-W102 AromaticContact CD2-CE3 3.59Å; F89-W102 HydrophobicContact CD2-CE3 3.59Å; F89-W102 AromaticContact CD2-CZ3 3.63Å; F89-W102 HydrophobicContact CD2-CZ3 3.63Å; F89-W102 HydrophobicContact CE2-CE3 4.13Å; F89-W102 HydrophobicContact CG-CZ3 4.26Å; H95-W102 HydrophobicContact CB-CE3 4.36Å; H95-W102 HydrophobicContact CB-CH2 3.67Å; H95-W102 HydrophobicContact CB-CZ2 4.32Å; H95-W102 HydrophobicContact CB-CZ3 3.7Å; H95-W102 AromaticContact CD2-CH2 3.91Å; H95-W102 AromaticContact CD2-CZ2 3.88Å; H95-W102 AromaticContact CE1-CH2 3.86Å; H95-W102 AromaticContact CG-CH2 3.4Å; H95-W102 VanDerWaalsContact CG-CH2 3.4Å; H95-W102 AromaticContact CG-CZ2 3.86Å; H95-W102 AromaticContact CG-CZ3 3.98Å; H95-W102 AromaticContact ND1-CH2 3.39Å; H95-W102 WeakPolarHBondContact ND1-CH2 3.4Å; H98-W102 HydrophobicContact CB-CB 3.39Å; H98-W102 HydrophobicContact CB-CD2 4.17Å; H98-W102 HydrophobicContact CB-CG 3.52Å; G99-W102 PolarHBondContact O-N 3.25Å; W102-S105 PolarHBondContact O-N 3.29Å; W102-S105 PolarHBondContact O-OG 3.19Å; W102-Q106 HydrophobicContact CD2-CG 4.33Å; W102-Q106 HydrophobicContact CE3-CG 4.2Å; W102-Q106 HydrophobicContact CH2-CG 3.86Å; W102-Q106 HydrophobicContact CZ2-CG 4.04Å; W102-Q106 HydrophobicContact CZ3-CG 3.94Å; W102-Q106 WeakPolarHBondContact O-CG 3.43Å; W102-Q106 PolarHBondContact O-N 2.96Å; W102-Q106 PolarHBondContact O-NE2 3.3Å
103	Y	98.8	Very high	98	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-44	177.9	-177	-140.1	0	0	0	112.1	L54 P55 V87 F89 F90 G99 L100 S105 Q106 M107 E118 M136	L54-Y103 HydrophobicContact CD2-CD1 3.65Å; L54-Y103 HydrophobicContact CD2-CE1 4.18Å; L54-Y103 HydrophobicContact CD2-CG 4.42Å; P55-Y103 HydrophobicContact CG-CE1 3.89Å; P55-Y103 WeakPolarHBondContact CG-OH 3.49Å; V87-Y103 HydrophobicContact CB-CE2 4.39Å; V87-Y103 HydrophobicContact CG1-CD2 3.76Å; V87-Y103 HydrophobicContact CG1-CE2 3.85Å; F89-Y103 HydrophobicContact CB-CD2 3.46Å; F89-Y103 VanDerWaalsContact CB-CD2 3.46Å; F89-Y103 HydrophobicContact CB-CE2 3.71Å; F89-Y103 HydrophobicContact CB-CG 4.06Å; F89-Y103 AromaticContact CD1-CD1 3.56Å; F89-Y103 HydrophobicContact CD1-CD1 3.56Å; F89-Y103 AromaticContact CD1-CD2 3.72Å; F89-Y103 HydrophobicContact CD1-CD2 3.72Å; F89-Y103 AromaticContact CD1-CE1 3.94Å; F89-Y103 HydrophobicContact CD1-CE1 3.94Å; F89-Y103 HydrophobicContact CD1-CE2 4.09Å; F89-Y103 AromaticContact CD1-CG 3.41Å; F89-Y103 HydrophobicContact CD1-CG 3.41Å; F89-Y103 VanDerWaalsContact CD1-CG 3.41Å; F89-Y103 HydrophobicContact CD2-CD2 4.28Å; F89-Y103 HydrophobicContact CD2-CG 4.12Å; F89-Y103 AromaticContact CE1-CD1 3.75Å; F89-Y103 HydrophobicContact CE1-CD1 3.75Å; F89-Y103 HydrophobicContact CE1-CE1 4.4Å; F89-Y103 AromaticContact CE1-CG 3.82Å; F89-Y103 HydrophobicContact CE1-CG 3.82Å; F89-Y103 HydrophobicContact CE2-CG 4.45Å; F89-Y103 HydrophobicContact CG-CD1 4.21Å; F89-Y103 AromaticContact CG-CD2 3.55Å; F89-Y103 HydrophobicContact CG-CD2 3.55Å; F89-Y103 HydrophobicContact CG-CE2 4.12Å; F89-Y103 AromaticContact CG-CG 3.58Å; F89-Y103 HydrophobicContact CG-CG 3.58Å; F89-Y103 HydrophobicContact CZ-CG 4.32Å; F90-Y103 AromaticContact CE2-CE1 3.9Å; F90-Y103 HydrophobicContact CE2-CE1 3.9Å; F90-Y103 AromaticContact CE2-CZ 3.74Å; F90-Y103 VanDerWaalsContact CE2-OH 3.32Å; F90-Y103 WeakPolarHBondContact CE2-OH 3.47Å; F90-Y103 HydrophobicContact CZ-CD1 4.4Å; F90-Y103 AromaticContact CZ-CE1 3.74Å; F90-Y103 HydrophobicContact CZ-CE1 3.74Å; G99-Y103 PolarHBondContact O-N 3Å; L100-Y103 HydrophobicContact CD2-CD1 4.16Å; L100-Y103 PolarHBondContact O-N 2.81Å; Y103-S105 VanDerWaalsContact C-N 3.28Å; Y103-S105 PolarHBondContact O-N 3.15Å; Y103-Q106 WeakPolarHBondContact O-CB 3.48Å; Y103-Q106 PolarHBondContact O-N 3.34Å; Y103-Q106 VanDerWaalsContact O-N 3.12Å; Y103-M107 HydrophobicContact CD2-CE 3.92Å; Y103-M107 HydrophobicContact CE2-CE 3.63Å; Y103-E118 HydrophobicContact CE2-CG 4.45Å; Y103-E118 PolarHBondContact OH-OE1 3.42Å; Y103-E118 PolarHBondContact OH-OE2 3.11Å; Y103-M136 HydrophobicContact CD1-SD 3.93Å; Y103-M136 HydrophobicContact CE1-CE 4.2Å; Y103-M136 HydrophobicContact CE1-SD 3.54Å; Y103-M136 VanDerWaalsContact CE1-SD 3.54Å
104	L	98.6	Very high	98	Very high	57 Å²	57	65.6 Å²	65.6	30%	0.298	36%	0.357	S	S	.	.	H	α-helix	trans	-57.3	-42	173.1	-179.7	64	0	0	0	111.3	Q52 Q53 L54 L100 G101 Q106 M107	Q52-L104 HydrophobicContact CB-CD1 3.9Å; Q52-L104 HydrophobicContact CB-CG 4.13Å; Q52-L104 PolarHBondContact NE2-O 2.77Å; Q53-L104 VanDerWaalsContact C-CD1 3.44Å; L54-L104 HydrophobicContact CD2-CB 4.05Å; L54-L104 HydrophobicContact CD2-CD1 4.28Å; L54-L104 HydrophobicContact CG-CD1 4.23Å; L100-L104 WeakPolarHBondContact O-CB 3.44Å; L100-L104 PolarHBondContact O-N 3.48Å; G101-L104 PolarHBondContact O-N 3.22Å; L104-Q106 PolarHBondContact O-N 2.66Å; L104-Q106 VanDerWaalsContact O-N 3.14Å; L104-M107 VanDerWaalsContact O-CB 3.29Å; L104-M107 WeakPolarHBondContact O-CB 3.38Å; L104-M107 PolarHBondContact O-N 3.15Å
105	S	97.8	Very high	98	Very high	58 Å²	58	60.6 Å²	60.6	41%	0.406	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-14.6	-179.8	88.6	0	0	0	0	113.7	Q52 G101 W102 Y103	Q52-S105 VanDerWaalsContact NE2-C 3.26Å; Q52-S105 PolarHBondContact NE2-O 2.88Å; G101-S105 PolarHBondContact O-N 3.04Å; W102-S105 PolarHBondContact O-N 3.29Å; W102-S105 PolarHBondContact O-OG 3.19Å; Y103-S105 VanDerWaalsContact C-N 3.28Å; Y103-S105 PolarHBondContact O-N 3.15Å
106	Q	98.4	Very high	98	Very high	83 Å²	83	58.9 Å²	58.9	39%	0.388	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.6	173.1	-52.5	-47.2	-67.7	0	0	113.1	V87 W102 Y103 L104	V87-Q106 HydrophobicContact CG1-CB 3.85Å; V87-Q106 HydrophobicContact CG1-CG 3.84Å; W102-Q106 HydrophobicContact CD2-CG 4.33Å; W102-Q106 HydrophobicContact CE3-CG 4.2Å; W102-Q106 HydrophobicContact CH2-CG 3.86Å; W102-Q106 HydrophobicContact CZ2-CG 4.04Å; W102-Q106 HydrophobicContact CZ3-CG 3.94Å; W102-Q106 WeakPolarHBondContact O-CG 3.43Å; W102-Q106 PolarHBondContact O-N 2.96Å; W102-Q106 PolarHBondContact O-NE2 3.3Å; Y103-Q106 WeakPolarHBondContact O-CB 3.48Å; Y103-Q106 PolarHBondContact O-N 3.34Å; Y103-Q106 VanDerWaalsContact O-N 3.12Å; L104-Q106 PolarHBondContact O-N 2.66Å; L104-Q106 VanDerWaalsContact O-N 3.14Å
107	M	98.6	Very high	98	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.025	31%	0.314	C	S	.	.	S	Bend	trans	-80.1	149	-176.1	-62.7	-62.5	109.3	0	0	111	Q52 Q53 P55 A83 V87 Y103 L104 T116 E118	Q52-M107 HydrophobicContact CB-CB 4.49Å; Q52-M107 WeakPolarHBondContact CG-O 3.5Å; Q52-M107 PolarHBondContact NE2-O 3.42Å; Q53-M107 WeakPolarHBondContact O-CB 3.46Å; Q53-M107 VanDerWaalsContact O-CG 3.24Å; Q53-M107 WeakPolarHBondContact O-CG 3.29Å; P55-M107 HydrophobicContact CB-SD 4.37Å; P55-M107 HydrophobicContact CG-SD 4.17Å; A83-M107 HydrophobicContact CB-CE 4.45Å; V87-M107 HydrophobicContact CG1-CE 4.45Å; V87-M107 HydrophobicContact CG2-CE 3.93Å; Y103-M107 HydrophobicContact CD2-CE 3.92Å; Y103-M107 HydrophobicContact CE2-CE 3.63Å; L104-M107 VanDerWaalsContact O-CB 3.29Å; L104-M107 WeakPolarHBondContact O-CB 3.38Å; L104-M107 PolarHBondContact O-N 3.15Å; M107-T116 HydrophobicContact CB-CG2 4.13Å; M107-T116 HydrophobicContact CG-CG2 4.22Å; M107-T116 HydrophobicContact SD-CG2 3.68Å; M107-E118 HydrophobicContact CE-CB 4.24Å; M107-E118 HydrophobicContact CE-CG 4.46Å
108	P	98	Very high	98	Very high	34 Å²	34	52.2 Å²	52.2	22%	0.221	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-64.9	153	171.7	30.7	-36.7	0	0	0	110.5	A81 S110 T116	A81-P108 HydrophobicContact CB-CB 4.45Å; A81-P108 HydrophobicContact CB-CG 3.88Å; P108-S110 PolarHBondContact O-N 2.82Å; P108-T116 HydrophobicContact CG-CG2 4.17Å
109	F	97.6	Very high	98.1	Very high	107 Å²	107	47.2 Å²	47.2	47%	0.469	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133	162.7	-79	-95.4	0	0	0	109.3	A46 Q52	A46-F109 HydrophobicContact CB-CD1 3.96Å; A46-F109 HydrophobicContact CB-CE1 3.85Å; Q52-F109 HydrophobicContact CG-CD1 4.44Å; Q52-F109 HydrophobicContact CG-CD2 4.08Å; Q52-F109 HydrophobicContact CG-CE1 4.3Å; Q52-F109 HydrophobicContact CG-CE2 3.94Å; Q52-F109 HydrophobicContact CG-CG 4.32Å; Q52-F109 HydrophobicContact CG-CZ 4.06Å
110	S	97.5	Very high	98.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.9	-176.9	58.4	0	0	0	0	110.3	S50 A51 Q53 P108 T116	S50-S110 WeakPolarHBondContact CA-O 3.48Å; A51-S110 PolarHBondContact N-O 2.93Å; A51-S110 PolarHBondContact O-N 3.32Å; A51-S110 VanDerWaalsContact O-O 3.13Å; A51-S110 PolarHBondContact O-OG 3.06Å; Q53-S110 PolarHBondContact NE2-OG 3.35Å; P108-S110 PolarHBondContact O-N 2.82Å; S110-T116 PolarHBondContact OG-OG1 2.67Å
111	W	97	Very high	98.1	Very high	129 Å²	129	42.4 Å²	42.4	49%	0.489	23%	0.225	S	C	.	.			trans	-82.4	156.2	173.1	-69	64.5	0	0	0	110.4	Q53 H113 Q114	Q53-W111 PolarHBondContact NE2-O 3.08Å; W111-H113 WeakPolarHBondContact CB-CE1 3.25Å; W111-H113 AromaticContact CG-CE1 3.95Å; W111-H113 PolarHBondContact O-N 3.43Å; W111-Q114 HydrophobicContact CB-CG 4.09Å; W111-Q114 PolarHBondContact O-N 3.45Å
112	P	95.5	Very high	98.1	Very high	105 Å²	105	41.2 Å²	41.2	68%	0.682	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25	-176	-29	35.8	0	0	0	115.8
113	H	96.2	Very high	98.2	Very high	116 Å²	116	38.4 Å²	38.4	54%	0.537	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.9	179.1	62.1	-87.1	0	0	0	113.6	D79 W111	D79-H113 IonicContact OD1-CD2 3.49Å; D79-H113 PolarHBondContact OD1-CD2 3.3Å; D79-H113 IonicContact OD1-NE2 2.67Å; W111-H113 WeakPolarHBondContact CB-CE1 3.25Å; W111-H113 AromaticContact CG-CE1 3.95Å; W111-H113 PolarHBondContact O-N 3.43Å
114	Q	98.1	Very high	98.2	Very high	35 Å²	35	38.4 Å²	38.4	16%	0.164	20%	0.199	C	C	.	.	S	Bend	trans	-83.6	147.4	-177.7	-58.8	-175.3	-66.9	0	0	111	P78 D79 W111	P78-Q114 PolarHBondContact O-NE2 2.89Å; D79-Q114 CarbonylContact O-C 3.59Å; D79-Q114 WeakPolarHBondContact O-CA 3.45Å; W111-Q114 HydrophobicContact CB-CG 4.09Å; W111-Q114 PolarHBondContact O-N 3.45Å
115	L	98.5	Very high	98.2	Very high	37 Å²	37	37 Å²	37	19%	0.194	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.9	169.9	-61.6	178.6	0	0	0	109.9	Q56 D79 V80 A81 L235 L237	Q56-L115 HydrophobicContact CB-CD2 3.93Å; Q56-L115 HydrophobicContact CG-CD2 4.27Å; D79-L115 PolarHBondContact O-N 3.18Å; V80-L115 WeakPolarHBondContact CA-O 3.37Å; A81-L115 PolarHBondContact N-O 3.39Å; L115-L235 HydrophobicContact CD1-CB 4.06Å; L115-L237 HydrophobicContact CD1-CD1 4.18Å; L115-L237 HydrophobicContact CD1-CD2 3.61Å; L115-L237 HydrophobicContact CD1-CG 3.87Å; L115-L237 HydrophobicContact CG-CD2 4.18Å
116	T	98.8	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.2	165.7	-56.9	0	0	0	0	110.3	P55 Q56 A81 M107 P108 S110	P55-T116 WeakPolarHBondContact CA-O 3.2Å; P55-T116 HydrophobicContact CB-CG2 4.36Å; Q56-T116 PolarHBondContact N-O 3.48Å; Q56-T116 VanDerWaalsContact N-O 3.1Å; Q56-T116 PolarHBondContact OE1-O 3.03Å; A81-T116 CarbonylContact O-C 3.54Å; A81-T116 VanDerWaalsContact O-CA 3.26Å; A81-T116 WeakPolarHBondContact O-CA 3.28Å; M107-T116 HydrophobicContact CB-CG2 4.13Å; M107-T116 HydrophobicContact CG-CG2 4.22Å; M107-T116 HydrophobicContact SD-CG2 3.68Å; P108-T116 HydrophobicContact CG-CG2 4.17Å; S110-T116 PolarHBondContact OG-OG1 2.67Å
117	V	98.9	Very high	98.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.4	176.5	58.3	0	0	0	0	111.2	T57 I59 L71 V80 A81 A82 A83	T57-V117 HydrophobicContact CG2-CB 3.77Å; T57-V117 HydrophobicContact CG2-CG2 3.81Å; T57-V117 WeakPolarHBondContact O-CA 3.34Å; I59-V117 HydrophobicContact CD1-CG2 4.35Å; I59-V117 HydrophobicContact CG1-CG2 4.19Å; L71-V117 HydrophobicContact CD1-CG1 3.84Å; L71-V117 HydrophobicContact CD1-CG2 3.97Å; V80-V117 HydrophobicContact CG1-CG1 3.57Å; A81-V117 PolarHBondContact O-N 2.82Å; A82-V117 CarbonylContact C-O 3.4Å; A82-V117 VanDerWaalsContact CA-O 3.31Å; A82-V117 WeakPolarHBondContact CA-O 3.32Å; A82-V117 HydrophobicContact CB-CG1 3.81Å; A83-V117 PolarHBondContact N-O 3.02Å
118	E	98.8	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	168.7	162.8	95	-63.4	172.5	0	0	112	P55 I58 I59 A83 V87 Y103 M107	P55-E118 WeakPolarHBondContact CB-OE2 3.32Å; P55-E118 WeakPolarHBondContact CG-OE2 3.45Å; I58-E118 WeakPolarHBondContact CD1-OE1 3.22Å; I58-E118 VanDerWaalsContact CG1-OE1 3.29Å; I58-E118 WeakPolarHBondContact CG1-OE1 3.19Å; I58-E118 WeakPolarHBondContact CG1-OE2 3.34Å; I58-E118 WeakPolarHBondContact CG2-OE1 3.49Å; I59-E118 PolarHBondContact N-O 2.94Å; A83-E118 HydrophobicContact CB-CB 3.71Å; V87-E118 HydrophobicContact CG2-CB 3.98Å; V87-E118 HydrophobicContact CG2-CG 3.9Å; Y103-E118 HydrophobicContact CE2-CG 4.45Å; Y103-E118 PolarHBondContact OH-OE1 3.42Å; Y103-E118 PolarHBondContact OH-OE2 3.11Å; M107-E118 HydrophobicContact CE-CB 4.24Å; M107-E118 HydrophobicContact CE-CG 4.46Å
119	K	98.8	Very high	98.3	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.6	-179.5	167.5	-165	69.5	-141.9	0	109.1	I59 T67 L71 E86 P121	I59-K119 HydrophobicContact CB-CB 3.89Å; I59-K119 HydrophobicContact CB-CG 4.06Å; I59-K119 HydrophobicContact CD1-CB 4.36Å; I59-K119 HydrophobicContact CG2-CB 4.47Å; I59-K119 HydrophobicContact CG2-CG 4.08Å; I59-K119 WeakPolarHBondContact O-CA 3.36Å; T67-K119 VanDerWaalsContact CB-CD 3.46Å; T67-K119 WeakPolarHBondContact O-CD 3.42Å; L71-K119 HydrophobicContact CB-CD 4.26Å; L71-K119 HydrophobicContact CD1-CB 4.42Å; L71-K119 HydrophobicContact CD2-CB 4.22Å; L71-K119 HydrophobicContact CD2-CD 4.41Å; E86-K119 WeakPolarHBondContact CA-O 3.35Å; E86-K119 WeakPolarHBondContact CG-O 3.37Å; K119-P121 HydrophobicContact CG-CG 4.32Å
120	T	98.9	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.			trans	-138.4	103.4	166.4	-57.8	0	0	0	0	109.1	I59 I60 V87 H88 A122 Y123	I59-T120 PolarHBondContact O-N 3.08Å; I59-T120 VanDerWaalsContact O-N 3.16Å; I60-T120 CarbonylContact C-O 3.6Å; V87-T120 PolarHBondContact N-OG1 2.84Å; H88-T120 HydrophobicContact CB-CG2 4.5Å; H88-T120 PolarHBondContact N-OG1 3.17Å; H88-T120 WeakPolarHBondContact ND1-CG2 3.48Å; T120-A122 HydrophobicContact CG2-CB 4.27Å; T120-A122 PolarHBondContact O-N 2.85Å; T120-Y123 VanDerWaalsContact CB-CE1 3.42Å; T120-Y123 VanDerWaalsContact CB-CE2 3.49Å; T120-Y123 HydrophobicContact CG2-CD1 3.56Å; T120-Y123 HydrophobicContact CG2-CE1 3.39Å; T120-Y123 HydrophobicContact CG2-CE2 4.39Å; T120-Y123 HydrophobicContact CG2-CG 4.15Å; T120-Y123 WeakPolarHBondContact O-CB 3.47Å; T120-Y123 PolarHBondContact O-N 3.49Å; T120-Y123 VanDerWaalsContact O-N 3.1Å; T120-Y123 PolarHBondContact OG1-OH 2.93Å
121	P	98.8	Very high	98.4	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.045	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.9	-170.9	-21.5	33.9	0	0	0	115	R63 T67 E86 K119 Y123	R63-P121 HydrophobicContact CB-CB 4.13Å; T67-P121 HydrophobicContact CG2-CB 4.13Å; T67-P121 HydrophobicContact CG2-CG 4.04Å; T67-P121 WeakPolarHBondContact OG1-CG 3.26Å; E86-P121 WeakPolarHBondContact OE1-CD 3.48Å; E86-P121 WeakPolarHBondContact OE1-CG 3.48Å; E86-P121 WeakPolarHBondContact OE2-CD 3.29Å; K119-P121 HydrophobicContact CG-CG 4.32Å; P121-Y123 VanDerWaalsContact C-N 3.29Å
122	A	98.8	Very high	98.5	Very high	30 Å²	30	33.4 Å²	33.4	25%	0.248	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.4	177.2	0	0	0	0	0	112.8	D91 T120 F124 T125 S126	D91-A122 WeakPolarHBondContact OD2-CB 3.37Å; T120-A122 HydrophobicContact CG2-CB 4.27Å; T120-A122 PolarHBondContact O-N 2.85Å; A122-F124 VanDerWaalsContact C-N 3.34Å; A122-F124 PolarHBondContact O-N 3.34Å; A122-T125 PolarHBondContact O-N 3.3Å; A122-T125 PolarHBondContact O-OG1 3.46Å; A122-S126 WeakPolarHBondContact O-CB 3.45Å; A122-S126 PolarHBondContact O-N 2.9Å
123	Y	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-55.7	-47.7	-178	-71.2	-6.9	0	0	0	111.7	I58 I60 F89 F90 D91 T120 P121 T125 S126 V129	I58-Y123 HydrophobicContact CG2-CD2 3.88Å; I58-Y123 HydrophobicContact CG2-CE2 3.97Å; I60-Y123 HydrophobicContact CG2-CD2 4.47Å; I60-Y123 WeakPolarHBondContact O-CB 3.41Å; F89-Y123 PolarHBondContact N-OH 3.16Å; F90-Y123 HydrophobicContact CB-CD1 4.38Å; F90-Y123 HydrophobicContact CB-CE1 4Å; F90-Y123 HydrophobicContact CD2-CD2 4.38Å; F90-Y123 HydrophobicContact CD2-CE1 4.27Å; F90-Y123 AromaticContact CD2-CE2 3.72Å; F90-Y123 HydrophobicContact CD2-CE2 3.72Å; F90-Y123 AromaticContact CD2-CZ 3.66Å; F90-Y123 HydrophobicContact CE2-CE2 4.4Å; D91-Y123 HydrophobicContact CB-CD1 4.14Å; D91-Y123 HydrophobicContact CB-CE1 4.34Å; D91-Y123 VanDerWaalsContact OD1-CE1 3.27Å; D91-Y123 WeakPolarHBondContact OD1-CE1 3.41Å; T120-Y123 VanDerWaalsContact CB-CE1 3.42Å; T120-Y123 VanDerWaalsContact CB-CE2 3.49Å; T120-Y123 HydrophobicContact CG2-CD1 3.56Å; T120-Y123 HydrophobicContact CG2-CE1 3.39Å; T120-Y123 HydrophobicContact CG2-CE2 4.39Å; T120-Y123 HydrophobicContact CG2-CG 4.15Å; T120-Y123 WeakPolarHBondContact O-CB 3.47Å; T120-Y123 PolarHBondContact O-N 3.49Å; T120-Y123 VanDerWaalsContact O-N 3.1Å; T120-Y123 PolarHBondContact OG1-OH 2.93Å; P121-Y123 VanDerWaalsContact C-N 3.29Å; Y123-T125 PolarHBondContact O-N 2.82Å; Y123-T125 VanDerWaalsContact O-N 3.16Å; Y123-S126 PolarHBondContact O-N 2.86Å; Y123-S126 VanDerWaalsContact O-N 3.12Å; Y123-V129 HydrophobicContact CD1-CG1 4.12Å; Y123-V129 HydrophobicContact CD1-CG2 4.26Å; Y123-V129 HydrophobicContact CD2-CG1 4.49Å; Y123-V129 HydrophobicContact CG-CG1 3.88Å
124	F	98.9	Very high	98.8	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-40.8	-175	-179.4	-117.9	0	0	0	112.9	I60 V62 A122 L144 L146 Y196 H199 M200 W203	I60-F124 HydrophobicContact CD1-CD2 4.08Å; I60-F124 VanDerWaalsContact O-CB 3.29Å; I60-F124 WeakPolarHBondContact O-CB 3.42Å; I60-F124 PolarHBondContact O-N 2.88Å; V62-F124 HydrophobicContact CB-CD1 4.07Å; V62-F124 HydrophobicContact CG2-CD1 3.88Å; V62-F124 HydrophobicContact CG2-CE1 4.44Å; A122-F124 VanDerWaalsContact C-N 3.34Å; A122-F124 PolarHBondContact O-N 3.34Å; F124-L144 HydrophobicContact CB-CD1 4.3Å; F124-L144 HydrophobicContact CD1-CD1 4.09Å; F124-L144 HydrophobicContact CD2-CD1 3.57Å; F124-L144 HydrophobicContact CD2-CD2 4.08Å; F124-L144 HydrophobicContact CD2-CG 4.48Å; F124-L144 HydrophobicContact CE1-CD1 4.28Å; F124-L144 HydrophobicContact CE2-CD1 3.81Å; F124-L144 HydrophobicContact CE2-CD2 3.51Å; F124-L144 HydrophobicContact CE2-CG 4.33Å; F124-L144 HydrophobicContact CG-CD1 3.72Å; F124-L144 HydrophobicContact CZ-CD1 4.15Å; F124-L144 HydrophobicContact CZ-CD2 3.86Å; F124-L146 HydrophobicContact CE1-CD2 4.45Å; F124-Y196 HydrophobicContact CE1-CD1 4.12Å; F124-H199 HydrophobicContact CD1-CB 3.96Å; F124-H199 HydrophobicContact CD2-CB 4.36Å; F124-H199 HydrophobicContact CE1-CB 3.51Å; F124-H199 HydrophobicContact CE2-CB 3.94Å; F124-H199 HydrophobicContact CG-CB 4.38Å; F124-H199 HydrophobicContact CZ-CB 3.51Å; F124-M200 HydrophobicContact CE2-CB 4.44Å; F124-M200 HydrophobicContact CE2-SD 4.37Å; F124-M200 HydrophobicContact CZ-CB 4.37Å; F124-W203 AromaticContact CD2-CD1 3.64Å; F124-W203 AromaticContact CD2-NE1 3.49Å; F124-W203 AromaticContact CE2-CD1 3.88Å; F124-W203 PolarHBondContact O-NE1 3.45Å
125	T	98.8	Very high	98.8	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.172	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9.6	-174.7	58.7	0	0	0	0	113.9	V62 A122 Y123 R193	V62-T125 HydrophobicContact CG2-CG2 4.35Å; A122-T125 PolarHBondContact O-N 3.3Å; A122-T125 PolarHBondContact O-OG1 3.46Å; Y123-T125 PolarHBondContact O-N 2.82Å; Y123-T125 VanDerWaalsContact O-N 3.16Å; T125-R193 HydrophobicContact CG2-CB 4.1Å; T125-R193 HydrophobicContact CG2-CG 4.03Å
126	S	98.8	Very high	98.8	Very high	19 Å²	19	28 Å²	28	13%	0.133	16%	0.157	C	C	.	.			trans	-101.6	115.3	-179.7	-176.9	0	0	0	0	110	A122 Y123 K128 V129 P130	A122-S126 WeakPolarHBondContact O-CB 3.45Å; A122-S126 PolarHBondContact O-N 2.9Å; Y123-S126 PolarHBondContact O-N 2.86Å; Y123-S126 VanDerWaalsContact O-N 3.12Å; S126-K128 VanDerWaalsContact C-N 3.26Å; S126-K128 PolarHBondContact O-N 3.39Å; S126-K128 VanDerWaalsContact O-N 3.15Å; S126-V129 VanDerWaalsContact CB-CG2 3.46Å; S126-V129 PolarHBondContact O-N 3.45Å; S126-V129 VanDerWaalsContact O-N 3.16Å; S126-V129 WeakPolarHBondContact OG-CG2 3.48Å; S126-P130 WeakPolarHBondContact O-CD 3.39Å
127	P	98.7	Very high	98.8	Very high	103 Å²	103	30.6 Å²	30.6	67%	0.669	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.8	-171.3	-28.7	35.8	0	0	0	115.2	N202	P127-N202 WeakPolarHBondContact CA-ND2 3.33Å; P127-N202 PolarHBondContact O-ND2 3.01Å
128	K	98.7	Very high	98.8	Very high	70 Å²	70	33.6 Å²	33.6	30%	0.304	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.2	-177.1	65.6	-167	178.6	-173.3	0	114.6	D91 E93 S126 R132	D91-K128 WeakPolarHBondContact O-CE 3.35Å; D91-K128 PolarHBondContact O-NZ 3.04Å; E93-K128 VanDerWaalsContact OE1-CD 3.29Å; E93-K128 WeakPolarHBondContact OE1-CD 3.36Å; E93-K128 VanDerWaalsContact OE1-CE 3.26Å; E93-K128 WeakPolarHBondContact OE1-CE 3.48Å; E93-K128 IonicContact OE1-NZ 3.47Å; E93-K128 PolarHBondContact OE1-NZ 3.06Å; S126-K128 VanDerWaalsContact C-N 3.26Å; S126-K128 PolarHBondContact O-N 3.39Å; S126-K128 VanDerWaalsContact O-N 3.15Å; K128-R132 WeakPolarHBondContact O-CG 3.2Å
129	V	98.9	Very high	98.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.7	-43.3	-169.4	171.3	0	0	0	0	113.6	F90 D91 Y123 S126 E131 R132 V133 W203	F90-V129 HydrophobicContact CB-CB 4.29Å; F90-V129 HydrophobicContact CB-CG1 3.74Å; F90-V129 HydrophobicContact CB-CG2 3.89Å; F90-V129 HydrophobicContact CG-CG1 4.45Å; D91-V129 HydrophobicContact CB-CG2 3.92Å; Y123-V129 HydrophobicContact CD1-CG1 4.12Å; Y123-V129 HydrophobicContact CD1-CG2 4.26Å; Y123-V129 HydrophobicContact CD2-CG1 4.49Å; Y123-V129 HydrophobicContact CG-CG1 3.88Å; S126-V129 VanDerWaalsContact CB-CG2 3.46Å; S126-V129 PolarHBondContact O-N 3.45Å; S126-V129 VanDerWaalsContact O-N 3.16Å; S126-V129 WeakPolarHBondContact OG-CG2 3.48Å; V129-E131 VanDerWaalsContact C-N 3.31Å; V129-E131 PolarHBondContact O-N 2.82Å; V129-R132 PolarHBondContact O-N 3.05Å; V129-R132 VanDerWaalsContact O-N 3.1Å; V129-V133 HydrophobicContact CG1-CG2 3.74Å; V129-V133 WeakPolarHBondContact O-CG2 3.4Å; V129-V133 PolarHBondContact O-N 3.48Å; V129-W203 HydrophobicContact CG1-CH2 3.9Å; V129-W203 HydrophobicContact CG1-CZ2 4.02Å
130	P	98.9	Very high	98.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.9	-43.6	-177.8	-29.9	38.3	0	0	0	113.7	S126 V133 H134 N202 W203 F206 F207	S126-P130 WeakPolarHBondContact O-CD 3.39Å; P130-V133 PolarHBondContact O-N 2.93Å; P130-H134 VanDerWaalsContact O-CB 3.26Å; P130-H134 WeakPolarHBondContact O-CB 3.26Å; P130-H134 PolarHBondContact O-N 2.99Å; P130-N202 WeakPolarHBondContact CG-ND2 3.37Å; P130-W203 HydrophobicContact CB-CD2 4.2Å; P130-W203 HydrophobicContact CB-CE3 4.23Å; P130-W203 HydrophobicContact CG-CD2 3.71Å; P130-W203 HydrophobicContact CG-CE3 4.19Å; P130-W203 HydrophobicContact CG-CG 3.93Å; P130-W203 HydrophobicContact CG-CZ2 4.16Å; P130-F206 HydrophobicContact CB-CD2 3.51Å; P130-F206 HydrophobicContact CB-CE2 4.02Å; P130-F206 HydrophobicContact CB-CG 4.25Å; P130-F207 WeakPolarHBondContact O-CE2 3.05Å
131	E	98.9	Very high	98.8	Very high	114 Å²	114	40.9 Å²	40.9	53%	0.533	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-46.5	176.5	-175	175.6	-170.3	0	0	111.7	V129 V133 H134 S135 F206	V129-E131 VanDerWaalsContact C-N 3.31Å; V129-E131 PolarHBondContact O-N 2.82Å; E131-V133 PolarHBondContact O-N 3.37Å; E131-H134 PolarHBondContact O-N 3.34Å; E131-S135 PolarHBondContact O-N 3.3Å; E131-S135 PolarHBondContact O-OG 3Å; E131-S135 VanDerWaalsContact O-OG 3.09Å; E131-F206 HydrophobicContact CB-CD1 4.38Å; E131-F206 HydrophobicContact CB-CE1 3.66Å; E131-F206 HydrophobicContact CB-CE2 4.2Å; E131-F206 HydrophobicContact CB-CZ 3.55Å; E131-F206 HydrophobicContact CG-CE1 3.79Å; E131-F206 HydrophobicContact CG-CZ 4.04Å
132	R	98.9	Very high	98.8	Very high	35 Å²	35	40.6 Å²	40.6	13%	0.132	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-41.2	-179.1	-65.2	175.9	171.6	-173.4	-7.7	112.5	F90 E93 Y96 K128 V129 H134 S135 M136	F90-R132 HydrophobicContact CB-CB 4.47Å; F90-R132 HydrophobicContact CD1-CB 3.66Å; F90-R132 HydrophobicContact CE1-CB 4.35Å; F90-R132 HydrophobicContact CG-CB 4.45Å; F90-R132 WeakPolarHBondContact O-CD 3.35Å; F90-R132 PolarHBondContact O-NH1 2.85Å; E93-R132 VanDerWaalsContact CD-NH2 3.27Å; E93-R132 IonicContact OE1-CZ 3.3Å; E93-R132 IonicContact OE1-NH1 3.09Å; E93-R132 PolarHBondContact OE1-NH1 2.95Å; E93-R132 VanDerWaalsContact OE1-NH1 3.14Å; E93-R132 IonicContact OE1-NH2 2.69Å; E93-R132 PolarHBondContact OE1-NH2 3.43Å; E93-R132 IonicContact OE2-CZ 3.55Å; E93-R132 IonicContact OE2-NH1 2.85Å; E93-R132 IonicContact OE2-NH2 3.09Å; E93-R132 PolarHBondContact OE2-NH2 3.36Å; Y96-R132 VanDerWaalsContact CD1-CZ 3.41Å; Y96-R132 HydrophobicContact CE1-CG 4Å; Y96-R132 HydrophobicContact CE2-CB 3.8Å; Y96-R132 HydrophobicContact CE2-CG 3.86Å; K128-R132 WeakPolarHBondContact O-CG 3.2Å; V129-R132 PolarHBondContact O-N 3.05Å; V129-R132 VanDerWaalsContact O-N 3.1Å; R132-H134 VanDerWaalsContact C-N 3.34Å; R132-S135 PolarHBondContact O-N 3.12Å; R132-M136 PolarHBondContact O-N 3.09Å
133	V	98.9	Very high	98.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-42.2	174.9	178.8	0	0	0	0	109.9	I58 F90 V129 P130 E131 S135 M136 N137 I140 L142 W203 F207	I58-V133 HydrophobicContact CD1-CG1 3.97Å; I58-V133 HydrophobicContact CD1-CG2 4.49Å; F90-V133 HydrophobicContact CB-CG2 4.47Å; F90-V133 HydrophobicContact CD1-CG2 4.14Å; F90-V133 HydrophobicContact CD2-CG2 3.58Å; F90-V133 HydrophobicContact CE1-CG2 4.21Å; F90-V133 HydrophobicContact CE2-CG2 3.7Å; F90-V133 HydrophobicContact CG-CG2 3.81Å; F90-V133 HydrophobicContact CZ-CG2 4.01Å; V129-V133 HydrophobicContact CG1-CG2 3.74Å; V129-V133 WeakPolarHBondContact O-CG2 3.4Å; V129-V133 PolarHBondContact O-N 3.48Å; P130-V133 PolarHBondContact O-N 2.93Å; E131-V133 PolarHBondContact O-N 3.37Å; V133-S135 PolarHBondContact O-N 3.38Å; V133-M136 WeakPolarHBondContact O-CB 3.03Å; V133-M136 PolarHBondContact O-N 2.86Å; V133-N137 PolarHBondContact O-N 2.87Å; V133-I140 HydrophobicContact CG1-CG2 3.96Å; V133-L142 HydrophobicContact CG1-CD2 4.32Å; V133-W203 HydrophobicContact CG2-CH2 4.32Å; V133-F207 HydrophobicContact CB-CE2 4.35Å; V133-F207 HydrophobicContact CB-CZ 4.05Å; V133-F207 HydrophobicContact CG1-CE2 4.32Å; V133-F207 HydrophobicContact CG1-CZ 3.73Å
134	H	98.9	Very high	98.8	Very high	60 Å²	60	39.1 Å²	39.1	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-41.7	179.2	178.9	-84.8	0	0	0	111.6	P130 E131 R132 M136 N137 P138 F206 F207	P130-H134 VanDerWaalsContact O-CB 3.26Å; P130-H134 WeakPolarHBondContact O-CB 3.26Å; P130-H134 PolarHBondContact O-N 2.99Å; E131-H134 PolarHBondContact O-N 3.34Å; R132-H134 VanDerWaalsContact C-N 3.34Å; H134-M136 PolarHBondContact O-N 2.99Å; H134-N137 CarbonylContact O-C 3.52Å; H134-N137 PolarHBondContact O-N 3.49Å; H134-P138 WeakPolarHBondContact O-CD 3.28Å; H134-P138 VanDerWaalsContact O-CG 3.31Å; H134-P138 WeakPolarHBondContact O-CG 3.29Å; H134-P138 VanDerWaalsContact O-N 3.17Å; H134-F206 HydrophobicContact CB-CB 3.96Å; H134-F206 HydrophobicContact CB-CD1 4.08Å; H134-F206 HydrophobicContact CB-CG 4.33Å; H134-F206 PolarHBondContact CD2-O 3.43Å; H134-F207 HydrophobicContact CB-CE1 4.23Å; H134-F207 HydrophobicContact CB-CE2 4.11Å; H134-F207 HydrophobicContact CB-CZ 3.66Å
135	S	98.8	Very high	98.8	Very high	85 Å²	85	39.1 Å²	39.1	59%	0.594	22%	0.217	S	C	*	.	H	α-helix	trans	-61.8	-30	175.1	-65.1	0	0	0	0	113.2	E131 R132 V133	E131-S135 PolarHBondContact O-N 3.3Å; E131-S135 PolarHBondContact O-OG 3Å; E131-S135 VanDerWaalsContact O-OG 3.09Å; R132-S135 PolarHBondContact O-N 3.12Å; V133-S135 PolarHBondContact O-N 3.38Å
136	M	98.8	Very high	98.8	Very high	34 Å²	34	37.8 Å²	37.8	17%	0.167	21%	0.209	C	C	.	.	H	α-helix	trans	-74.3	-50.9	172.7	-178.7	-172.2	73.4	0	0	111.5	L54 I58 F90 L100 Y103 R132 V133 H134 I140	L54-M136 HydrophobicContact CD1-CG 4.32Å; L54-M136 HydrophobicContact CD1-SD 4.2Å; L54-M136 HydrophobicContact CD2-SD 4.36Å; I58-M136 HydrophobicContact CD1-CE 4.42Å; F90-M136 HydrophobicContact CZ-CB 4.49Å; F90-M136 HydrophobicContact CZ-CE 3.99Å; F90-M136 HydrophobicContact CZ-SD 3.83Å; L100-M136 HydrophobicContact CD1-CG 4.24Å; L100-M136 HydrophobicContact CD2-CB 4.26Å; L100-M136 HydrophobicContact CD2-CG 3.78Å; L100-M136 HydrophobicContact CD2-SD 3.84Å; Y103-M136 HydrophobicContact CD1-SD 3.93Å; Y103-M136 HydrophobicContact CE1-CE 4.2Å; Y103-M136 HydrophobicContact CE1-SD 3.54Å; Y103-M136 VanDerWaalsContact CE1-SD 3.54Å; R132-M136 PolarHBondContact O-N 3.09Å; V133-M136 WeakPolarHBondContact O-CB 3.03Å; V133-M136 PolarHBondContact O-N 2.86Å; H134-M136 PolarHBondContact O-N 2.99Å; M136-I140 HydrophobicContact CE-CD1 3.77Å
137	N	98.6	Very high	98.8	Very high	54 Å²	54	38 Å²	38	29%	0.289	21%	0.206	S	C	.	.			trans	-154.8	101.5	-178.5	-177.5	-2.3	0	0	0	111.3	V133 H134 S139 I140	V133-N137 PolarHBondContact O-N 2.87Å; H134-N137 CarbonylContact O-C 3.52Å; H134-N137 PolarHBondContact O-N 3.49Å; N137-S139 PolarHBondContact O-N 3.1Å; N137-S139 VanDerWaalsContact O-N 3.16Å; N137-S139 WeakPolarHBondContact OD1-CA 3.27Å; N137-S139 PolarHBondContact OD1-N 3.28Å; N137-I140 HydrophobicContact CB-CB 4.08Å; N137-I140 WeakPolarHBondContact O-CB 3.36Å; N137-I140 WeakPolarHBondContact O-CG2 3.46Å; N137-I140 PolarHBondContact O-N 2.95Å; N137-I140 PolarHBondContact OD1-N 3.16Å
138	P	98.6	Very high	98.8	Very high	64 Å²	64	33.2 Å²	33.2	42%	0.416	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22	177.3	-25.2	35	0	0	0	114.2	H134	H134-P138 WeakPolarHBondContact O-CD 3.28Å; H134-P138 VanDerWaalsContact O-CG 3.31Å; H134-P138 WeakPolarHBondContact O-CG 3.29Å; H134-P138 VanDerWaalsContact O-N 3.17Å
139	S	98.4	Very high	98.8	Very high	87 Å²	87	29.9 Å²	29.9	61%	0.608	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	3.9	-175.9	-61.7	0	0	0	0	113.5	N137	N137-S139 PolarHBondContact O-N 3.1Å; N137-S139 VanDerWaalsContact O-N 3.16Å; N137-S139 WeakPolarHBondContact OD1-CA 3.27Å; N137-S139 PolarHBondContact OD1-N 3.28Å
140	I	98.8	Very high	98.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.161	C	C	.	.			trans	-60.9	146.6	-179.1	-158.5	169	0	0	0	111.3	P55 Q56 I58 V133 M136 N137 L142 F207	P55-I140 WeakPolarHBondContact O-CD1 3.5Å; Q56-I140 WeakPolarHBondContact O-CG1 3.44Å; I58-I140 HydrophobicContact CD1-CD1 3.65Å; I58-I140 HydrophobicContact CG1-CD1 3.67Å; V133-I140 HydrophobicContact CG1-CG2 3.96Å; M136-I140 HydrophobicContact CE-CD1 3.77Å; N137-I140 HydrophobicContact CB-CB 4.08Å; N137-I140 WeakPolarHBondContact O-CB 3.36Å; N137-I140 WeakPolarHBondContact O-CG2 3.46Å; N137-I140 PolarHBondContact O-N 2.95Å; N137-I140 PolarHBondContact OD1-N 3.16Å; I140-L142 HydrophobicContact CG2-CD2 3.84Å; I140-L142 HydrophobicContact CG2-CG 4.2Å; I140-F207 HydrophobicContact CG2-CD1 4.47Å; I140-F207 HydrophobicContact CG2-CE1 3.72Å; I140-F207 HydrophobicContact CG2-CZ 4.18Å
141	R	98.8	Very high	98.8	Very high	67 Å²	67	33.1 Å²	33.1	25%	0.253	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.5	171.4	-71.5	-175	-174.3	-101.5	-15.5	109.5	Q56 T57 I58 F234 L235	Q56-R141 PolarHBondContact O-N 3.12Å; T57-R141 WeakPolarHBondContact CA-O 3.43Å; T57-R141 PolarHBondContact OG1-O 3.16Å; I58-R141 PolarHBondContact N-O 3.33Å; R141-F234 HydrophobicContact CB-CE1 3.69Å; R141-F234 HydrophobicContact CB-CZ 3.74Å; R141-F234 WeakPolarHBondContact CD-O 3.41Å; R141-F234 HydrophobicContact CG-CE1 4.22Å; R141-F234 HydrophobicContact CG-CZ 3.94Å; R141-F234 PolarHBondContact NH1-O 3.01Å; R141-L235 HydrophobicContact CB-CD2 4.13Å
142	L	98.9	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.3	-176.4	-58.4	171.8	0	0	0	109.5	I58 I60 V133 I140 W203 F207 H211 I212 H213	I58-L142 HydrophobicContact CB-CD2 4.06Å; I60-L142 HydrophobicContact CD1-CB 4.42Å; I60-L142 HydrophobicContact CG2-CD2 3.85Å; V133-L142 HydrophobicContact CG1-CD2 4.32Å; I140-L142 HydrophobicContact CG2-CD2 3.84Å; I140-L142 HydrophobicContact CG2-CG 4.2Å; L142-W203 HydrophobicContact CD1-CE3 3.51Å; L142-W203 HydrophobicContact CD1-CZ3 3.48Å; L142-W203 VanDerWaalsContact CD1-CZ3 3.48Å; L142-W203 HydrophobicContact CD2-CZ3 4.23Å; L142-W203 HydrophobicContact CG-CZ3 4.47Å; L142-F207 HydrophobicContact CD1-CB 4.36Å; L142-F207 HydrophobicContact CD1-CD1 4.19Å; L142-F207 HydrophobicContact CD1-CD2 3.72Å; L142-F207 HydrophobicContact CD1-CE1 4.45Å; L142-F207 HydrophobicContact CD1-CE2 3.98Å; L142-F207 HydrophobicContact CD1-CG 3.81Å; L142-F207 HydrophobicContact CD1-CZ 4.33Å; L142-H211 PolarHBondContact N-O 3Å; L142-I212 HydrophobicContact CB-CG1 4.26Å; L142-I212 HydrophobicContact CB-CG2 4.36Å; L142-I212 HydrophobicContact CD1-CD1 4.39Å; L142-I212 HydrophobicContact CD1-CG1 4.08Å; L142-I212 CarbonylContact O-C 3.36Å; L142-I212 WeakPolarHBondContact O-CA 2.99Å; L142-H213 PolarHBondContact O-N 3.35Å
143	L	99	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.4	173.5	-65.8	176.1	0	0	0	109.1	I58 I59 I60 L70 L74 H213 V231 F234 L235	I58-L143 PolarHBondContact O-N 3.45Å; I59-L143 WeakPolarHBondContact CA-O 3.21Å; I59-L143 HydrophobicContact CB-CB 4.49Å; I59-L143 HydrophobicContact CG1-CB 3.95Å; I59-L143 HydrophobicContact CG1-CD1 3.9Å; I60-L143 WeakPolarHBondContact CG1-O 3.2Å; I60-L143 PolarHBondContact N-O 3.33Å; L70-L143 HydrophobicContact CD2-CB 4.29Å; L70-L143 HydrophobicContact CD2-CD1 4.47Å; L74-L143 HydrophobicContact CD2-CD1 3.94Å; L143-H213 HydrophobicContact CD2-CB 4.02Å; L143-V231 HydrophobicContact CD1-CG1 3.97Å; L143-V231 HydrophobicContact CD2-CG1 4Å; L143-V231 HydrophobicContact CD2-CG2 4.42Å; L143-F234 HydrophobicContact CD2-CD1 3.76Å; L143-F234 HydrophobicContact CD2-CE1 3.92Å; L143-L235 HydrophobicContact CD1-CD1 4.33Å
144	L	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.2	176.5	177.4	61.7	0	0	0	108.8	I60 F124 L146 M200 I212 H213 I214 V215	I60-L144 HydrophobicContact CD1-CB 4.43Å; I60-L144 HydrophobicContact CD1-CD1 4.45Å; I60-L144 HydrophobicContact CG1-CB 4.34Å; I60-L144 HydrophobicContact CG1-CD1 4.24Å; F124-L144 HydrophobicContact CB-CD1 4.3Å; F124-L144 HydrophobicContact CD1-CD1 4.09Å; F124-L144 HydrophobicContact CD2-CD1 3.57Å; F124-L144 HydrophobicContact CD2-CD2 4.08Å; F124-L144 HydrophobicContact CD2-CG 4.48Å; F124-L144 HydrophobicContact CE1-CD1 4.28Å; F124-L144 HydrophobicContact CE2-CD1 3.81Å; F124-L144 HydrophobicContact CE2-CD2 3.51Å; F124-L144 HydrophobicContact CE2-CG 4.33Å; F124-L144 HydrophobicContact CG-CD1 3.72Å; F124-L144 HydrophobicContact CZ-CD1 4.15Å; F124-L144 HydrophobicContact CZ-CD2 3.86Å; L144-L146 HydrophobicContact CD1-CD2 3.82Å; L144-L146 HydrophobicContact CD1-CG 4.42Å; L144-L146 HydrophobicContact CD2-CD1 4.15Å; L144-L146 HydrophobicContact CD2-CD2 4.25Å; L144-L146 HydrophobicContact CD2-CG 4.29Å; L144-L146 HydrophobicContact CG-CD1 4.37Å; L144-L146 HydrophobicContact CG-CD2 3.91Å; L144-L146 HydrophobicContact CG-CG 3.97Å; L144-M200 HydrophobicContact CD2-SD 3.96Å; L144-I212 HydrophobicContact CB-CG2 4.07Å; L144-H213 PolarHBondContact N-O 3.33Å; L144-I214 HydrophobicContact CD2-CG1 4.44Å; L144-I214 CarbonylContact O-C 3.37Å; L144-I214 WeakPolarHBondContact O-CA 3.1Å; L144-V215 PolarHBondContact O-N 3.31Å
145	I	98.9	Very high	98.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.1	174.7	-176.4	174.1	0	0	0	110.5	G61 V62 G65 T67 L70 V215 L220	G61-I145 CarbonylContact C-O 3.59Å; G61-I145 VanDerWaalsContact O-CG2 3.25Å; G61-I145 WeakPolarHBondContact O-CG2 3.46Å; G61-I145 PolarHBondContact O-N 3.09Å; V62-I145 PolarHBondContact N-O 3.47Å; G65-I145 VanDerWaalsContact O-CD1 3.28Å; G65-I145 WeakPolarHBondContact O-CD1 3.42Å; G65-I145 VanDerWaalsContact O-CG1 3.32Å; G65-I145 WeakPolarHBondContact O-CG1 3.46Å; T67-I145 HydrophobicContact CG2-CG2 3.52Å; L70-I145 HydrophobicContact CB-CD1 4.24Å; L70-I145 HydrophobicContact CD2-CB 4.06Å; L70-I145 HydrophobicContact CD2-CG2 4.15Å; I145-V215 WeakPolarHBondContact CA-O 3.4Å; I145-V215 HydrophobicContact CB-CB 3.96Å; I145-V215 HydrophobicContact CB-CG1 4.41Å; I145-V215 HydrophobicContact CD1-CG1 4.1Å; I145-V215 HydrophobicContact CG1-CB 4.04Å; I145-V215 HydrophobicContact CG1-CG1 4.02Å; I145-L220 HydrophobicContact CD1-CD2 3.45Å; I145-L220 VanDerWaalsContact CD1-CD2 3.45Å
146	L	98.9	Very high	98.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.1	-178.5	-58.8	179.7	0	0	0	110.7	V62 F124 L144 Y196 I214 V215 G217 F296 W306	V62-L146 HydrophobicContact CB-CD2 3.86Å; V62-L146 HydrophobicContact CG1-CD2 3.72Å; F124-L146 HydrophobicContact CE1-CD2 4.45Å; L144-L146 HydrophobicContact CD1-CD2 3.82Å; L144-L146 HydrophobicContact CD1-CG 4.42Å; L144-L146 HydrophobicContact CD2-CD1 4.15Å; L144-L146 HydrophobicContact CD2-CD2 4.25Å; L144-L146 HydrophobicContact CD2-CG 4.29Å; L144-L146 HydrophobicContact CG-CD1 4.37Å; L144-L146 HydrophobicContact CG-CD2 3.91Å; L144-L146 HydrophobicContact CG-CG 3.97Å; L146-Y196 HydrophobicContact CB-CE2 4.24Å; L146-Y196 HydrophobicContact CD1-CD2 4Å; L146-Y196 HydrophobicContact CD1-CE2 4.46Å; L146-Y196 HydrophobicContact CD1-CG 4.13Å; L146-Y196 HydrophobicContact CD2-CD1 3.88Å; L146-Y196 HydrophobicContact CD2-CD2 4.33Å; L146-Y196 HydrophobicContact CD2-CE1 3.9Å; L146-Y196 HydrophobicContact CD2-CE2 4.33Å; L146-Y196 HydrophobicContact CD2-CG 4.1Å; L146-I214 HydrophobicContact CD1-CG2 3.88Å; L146-I214 HydrophobicContact CG-CG2 4.17Å; L146-V215 PolarHBondContact N-O 3.38Å; L146-V215 VanDerWaalsContact N-O 3.11Å; L146-G217 WeakPolarHBondContact O-CA 3.48Å; L146-G217 PolarHBondContact O-N 3.3Å; L146-F296 HydrophobicContact CD1-CE1 3.58Å; L146-F296 HydrophobicContact CD1-CE2 4Å; L146-F296 HydrophobicContact CD1-CZ 3.19Å; L146-W306 HydrophobicContact CB-CH2 4.35Å; L146-W306 HydrophobicContact CB-CZ2 4.04Å; L146-W306 HydrophobicContact CD1-CH2 4.27Å
147	R	98.4	Very high	98.7	Very high	22 Å²	22	19.4 Å²	19.4	8%	0.083	11%	0.106	C	C	.	.			trans	-129	174.2	173.4	-75.9	-179.3	60.2	-155.3	3.2	108.4	K64 G65 E151 Y196 D218	K64-R147 PolarHBondContact O-NH1 3.19Å; G65-R147 WeakPolarHBondContact O-CD 3.3Å; G65-R147 WeakPolarHBondContact O-CG 3.46Å; R147-E151 IonicContact CZ-OE2 3.36Å; R147-E151 IonicContact NH2-OE2 3.31Å; R147-E151 PolarHBondContact NH2-OE2 2.9Å; R147-Y196 WeakPolarHBondContact O-CE2 3.4Å; R147-Y196 PolarHBondContact O-OH 3.29Å; R147-D218 VanDerWaalsContact CB-OD1 3.3Å; R147-D218 WeakPolarHBondContact CB-OD1 3.35Å; R147-D218 VanDerWaalsContact CG-OD1 3.3Å; R147-D218 WeakPolarHBondContact CG-OD1 3.46Å; R147-D218 IonicContact NE-OD1 3.72Å; R147-D218 PolarHBondContact NE-OD1 2.98Å
148	D	98.8	Very high	98.7	Very high	3 Å²	3	17 Å²	17	2%	0.016	9%	0.093	C	C	.	.			trans	-45.1	126.4	165	175.9	-80.3	0	0	0	110.5	S150 E151 R152 D218 W306 H307	D148-S150 VanDerWaalsContact C-N 3.25Å; D148-S150 PolarHBondContact O-N 2.77Å; D148-S150 WeakPolarHBondContact OD1-CA 3.3Å; D148-S150 WeakPolarHBondContact OD1-CB 3.3Å; D148-S150 PolarHBondContact OD1-N 2.88Å; D148-E151 HydrophobicContact CB-CB 4.09Å; D148-E151 HydrophobicContact CB-CG 4.01Å; D148-E151 PolarHBondContact O-N 2.76Å; D148-E151 PolarHBondContact OD1-N 3.14Å; D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 PolarHBondContact O-N 2.9Å; D148-D218 PolarHBondContact N-OD1 2.69Å; D148-D218 PolarHBondContact N-OD2 3.43Å; D148-W306 VanDerWaalsContact CA-CD1 3.46Å; D148-W306 HydrophobicContact CB-CG 4.27Å; D148-H307 IonicContact OD1-ND1 2.74Å; D148-H307 IonicContact OD2-CE1 2.84Å; D148-H307 IonicContact OD2-CG 2.71Å; D148-H307 PolarHBondContact OD2-N 3.36Å; D148-H307 IonicContact OD2-ND1 3.16Å; D148-H307 PolarHBondContact OD2-ND1 2.95Å
149	P	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.9	-31	-172.3	24.7	-35.2	0	0	0	112.7	V153 S194 Y196 F289	P149-V153 WeakPolarHBondContact O-CG2 3.5Å; P149-V153 PolarHBondContact O-N 2.73Å; P149-V153 VanDerWaalsContact O-N 3.09Å; P149-S194 PolarHBondContact O-OG 2.62Å; P149-Y196 HydrophobicContact CB-CE2 4.16Å; P149-F289 HydrophobicContact CB-CB 4.23Å; P149-F289 HydrophobicContact CB-CD1 3.91Å; P149-F289 HydrophobicContact CB-CD2 3.84Å; P149-F289 HydrophobicContact CB-CE1 4.2Å; P149-F289 HydrophobicContact CB-CE2 4.11Å; P149-F289 HydrophobicContact CB-CG 3.73Å; P149-F289 HydrophobicContact CB-CZ 4.3Å; P149-F289 HydrophobicContact CG-CB 3.66Å; P149-F289 HydrophobicContact CG-CD1 4.28Å; P149-F289 HydrophobicContact CG-CD2 3.93Å; P149-F289 HydrophobicContact CG-CG 3.71Å
150	S	98.6	Very high	98.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-73.6	-48.3	178.3	-52.6	0	0	0	0	110.3	D148 R152 V153 L154 H286 F289	D148-S150 VanDerWaalsContact C-N 3.25Å; D148-S150 PolarHBondContact O-N 2.77Å; D148-S150 WeakPolarHBondContact OD1-CA 3.3Å; D148-S150 WeakPolarHBondContact OD1-CB 3.3Å; D148-S150 PolarHBondContact OD1-N 2.88Å; S150-R152 PolarHBondContact O-N 3.37Å; S150-V153 WeakPolarHBondContact O-CB 3.46Å; S150-V153 PolarHBondContact O-N 2.95Å; S150-L154 WeakPolarHBondContact O-CG 3.32Å; S150-L154 PolarHBondContact O-N 2.67Å; S150-H286 PolarHBondContact OG-CD2 3.4Å; S150-H286 VanDerWaalsContact OG-CD2 3.27Å; S150-F289 WeakPolarHBondContact OG-CD2 3.02Å
151	E	98.6	Very high	98.6	Very high	68 Å²	68	15.7 Å²	15.7	32%	0.318	7%	0.073	S	C	.	.	H	α-helix	trans	-59.7	-36.9	173.5	-68.5	-164.5	-171.9	0	0	112.2	R147 D148 L154 S155 H274	R147-E151 IonicContact CZ-OE2 3.36Å; R147-E151 IonicContact NH2-OE2 3.31Å; R147-E151 PolarHBondContact NH2-OE2 2.9Å; D148-E151 HydrophobicContact CB-CB 4.09Å; D148-E151 HydrophobicContact CB-CG 4.01Å; D148-E151 PolarHBondContact O-N 2.76Å; D148-E151 PolarHBondContact OD1-N 3.14Å; E151-L154 PolarHBondContact O-N 3.49Å; E151-S155 WeakPolarHBondContact O-CB 3.38Å; E151-S155 PolarHBondContact O-N 2.98Å; E151-H274 PolarHBondContact O-CE1 3Å
152	R	98.7	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.8	-38.7	175.2	-165.3	-131.8	65.5	80.7	7.7	111.5	V62 R63 K64 D148 S150 S155 D156 A190 S194 Y196	V62-R152 HydrophobicContact CG1-CG 4.29Å; R63-R152 WeakPolarHBondContact O-CD 3.45Å; R63-R152 WeakPolarHBondContact O-CG 3.32Å; R63-R152 PolarHBondContact O-NH1 3.48Å; K64-R152 HydrophobicContact CB-CG 4.21Å; D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 PolarHBondContact O-N 2.9Å; S150-R152 PolarHBondContact O-N 3.37Å; R152-S155 PolarHBondContact O-N 3.27Å; R152-D156 IonicContact CZ-OD2 2.81Å; R152-D156 IonicContact NH1-OD2 3.64Å; R152-D156 PolarHBondContact NH1-OD2 3.13Å; R152-D156 IonicContact NH2-OD2 3.74Å; R152-D156 PolarHBondContact NH2-OD2 2.8Å; R152-D156 WeakPolarHBondContact O-CB 3.25Å; R152-D156 PolarHBondContact O-N 3.47Å; R152-A190 PolarHBondContact NH2-O 3.34Å; R152-S194 PolarHBondContact NE-OG 3.39Å; R152-Y196 WeakPolarHBondContact CD-OH 3.45Å
153	V	98.8	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.5	-51.1	173.1	167.9	0	0	0	0	110.5	P149 S150 S155 D156 Y157 L178 Y188 A190 L191 S194 L285 F289	P149-V153 WeakPolarHBondContact O-CG2 3.5Å; P149-V153 PolarHBondContact O-N 2.73Å; P149-V153 VanDerWaalsContact O-N 3.09Å; S150-V153 WeakPolarHBondContact O-CB 3.46Å; S150-V153 PolarHBondContact O-N 2.95Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 3.11Å; V153-D156 WeakPolarHBondContact O-CB 3.41Å; V153-D156 PolarHBondContact O-N 2.9Å; V153-D156 VanDerWaalsContact O-N 3.12Å; V153-Y157 PolarHBondContact O-N 2.85Å; V153-L178 HydrophobicContact CG1-CD2 4.18Å; V153-Y188 HydrophobicContact CG1-CE1 4.11Å; V153-A190 HydrophobicContact CG1-CB 4.14Å; V153-A190 HydrophobicContact CG2-CB 4.29Å; V153-L191 HydrophobicContact CG1-CD1 4.08Å; V153-L191 HydrophobicContact CG2-CD1 4.13Å; V153-S194 WeakPolarHBondContact CG2-OG 3.3Å; V153-L285 HydrophobicContact CB-CD2 4.41Å; V153-L285 HydrophobicContact CG1-CD2 4.31Å; V153-F289 HydrophobicContact CG2-CE2 4.08Å; V153-F289 HydrophobicContact CG2-CZ 3.92Å
154	L	98.6	Very high	98.1	Very high	16 Å²	16	22 Å²	22	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-57.4	-45	178.1	-59.7	-174.5	0	0	0	110.9	S150 E151 D156 Y157 T158 I174 H274 V277 L282	S150-L154 WeakPolarHBondContact O-CG 3.32Å; S150-L154 PolarHBondContact O-N 2.67Å; E151-L154 PolarHBondContact O-N 3.49Å; L154-D156 VanDerWaalsContact C-N 3.32Å; L154-D156 PolarHBondContact O-N 2.81Å; L154-Y157 PolarHBondContact O-N 3.26Å; L154-T158 WeakPolarHBondContact O-CB 3.28Å; L154-T158 PolarHBondContact O-N 2.72Å; L154-T158 PolarHBondContact O-OG1 3.44Å; L154-I174 HydrophobicContact CD2-CD1 3.29Å; L154-H274 HydrophobicContact CB-CB 4.27Å; L154-H274 HydrophobicContact CD1-CB 4.47Å; L154-V277 HydrophobicContact CD2-CG2 3.79Å; L154-L282 HydrophobicContact CD1-CD1 4.43Å
155	S	98.4	Very high	97.9	Very high	13 Å²	13	26.9 Å²	26.9	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-35.7	178.7	-159.5	0	0	0	0	113.1	K64 E151 R152 V153 Q159 H274	K64-S155 VanDerWaalsContact CE-O 3.25Å; K64-S155 WeakPolarHBondContact CE-O 3.42Å; K64-S155 WeakPolarHBondContact CE-OG 3.49Å; E151-S155 WeakPolarHBondContact O-CB 3.38Å; E151-S155 PolarHBondContact O-N 2.98Å; R152-S155 PolarHBondContact O-N 3.27Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 3.11Å; S155-Q159 PolarHBondContact O-N 3.46Å; S155-H274 WeakPolarHBondContact CA-NE2 3.46Å; S155-H274 WeakPolarHBondContact CB-NE2 3.39Å
156	D	98.6	Very high	97.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-49.3	176.2	-158	-10.4	0	0	0	111	R63 K64 R152 V153 L154 Q159 V160 A190 R193	R63-D156 IonicContact CZ-OD1 3.45Å; R63-D156 IonicContact NE-OD1 2.98Å; R63-D156 PolarHBondContact NE-OD1 3.08Å; R63-D156 IonicContact NE-OD2 3.81Å; R63-D156 PolarHBondContact NE-OD2 3.3Å; R63-D156 IonicContact NH2-OD1 3.45Å; R63-D156 PolarHBondContact NH2-OD1 2.67Å; K64-D156 HydrophobicContact CG-CB 4.19Å; R152-D156 IonicContact CZ-OD2 2.81Å; R152-D156 IonicContact NH1-OD2 3.64Å; R152-D156 PolarHBondContact NH1-OD2 3.13Å; R152-D156 IonicContact NH2-OD2 3.74Å; R152-D156 PolarHBondContact NH2-OD2 2.8Å; R152-D156 WeakPolarHBondContact O-CB 3.25Å; R152-D156 PolarHBondContact O-N 3.47Å; V153-D156 WeakPolarHBondContact O-CB 3.41Å; V153-D156 PolarHBondContact O-N 2.9Å; V153-D156 VanDerWaalsContact O-N 3.12Å; L154-D156 VanDerWaalsContact C-N 3.32Å; L154-D156 PolarHBondContact O-N 2.81Å; D156-Q159 PolarHBondContact O-N 2.84Å; D156-V160 PolarHBondContact O-N 3.31Å; D156-A190 HydrophobicContact CB-CB 4.18Å; D156-R193 IonicContact OD2-NH1 3.86Å; D156-R193 PolarHBondContact OD2-NH1 2.63Å; D156-R193 VanDerWaalsContact OD2-NH1 3.09Å
157	Y	98.6	Very high	97.6	Very high	9 Å²	9	40 Å²	40	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-55.5	-53.2	172.8	169.5	-92.1	0	0	0	111.2	V153 L154 Q159 V160 F161 Y171 P172 S173 I174 F177 P275	V153-Y157 PolarHBondContact O-N 2.85Å; L154-Y157 PolarHBondContact O-N 3.26Å; Y157-Q159 VanDerWaalsContact C-N 3.26Å; Y157-Q159 PolarHBondContact O-N 3.03Å; Y157-V160 PolarHBondContact O-N 3Å; Y157-F161 HydrophobicContact CE1-CB 4.1Å; Y157-F161 HydrophobicContact CE1-CG 4.35Å; Y157-F161 WeakPolarHBondContact O-CB 3.15Å; Y157-F161 PolarHBondContact O-N 3.25Å; Y157-Y171 AromaticContact CD2-CE1 3.93Å; Y157-Y171 HydrophobicContact CD2-CE1 3.93Å; Y157-Y171 AromaticContact CE2-CD1 3.94Å; Y157-Y171 HydrophobicContact CE2-CD1 3.94Å; Y157-Y171 AromaticContact CE2-CE1 3.69Å; Y157-Y171 HydrophobicContact CE2-CE1 3.69Å; Y157-P172 WeakPolarHBondContact CE2-O 3.31Å; Y157-P172 PolarHBondContact OH-O 2.93Å; Y157-S173 WeakPolarHBondContact OH-CA 3.48Å; Y157-I174 HydrophobicContact CD1-CB 3.85Å; Y157-I174 HydrophobicContact CD1-CD1 3.84Å; Y157-I174 HydrophobicContact CD1-CG1 3.99Å; Y157-I174 HydrophobicContact CD2-CB 3.86Å; Y157-I174 HydrophobicContact CD2-CD1 4.37Å; Y157-I174 HydrophobicContact CD2-CG1 3.79Å; Y157-I174 HydrophobicContact CE1-CB 3.78Å; Y157-I174 HydrophobicContact CE1-CG1 4.43Å; Y157-I174 HydrophobicContact CE2-CB 3.78Å; Y157-I174 HydrophobicContact CE2-CG1 4.24Å; Y157-I174 HydrophobicContact CG-CB 3.9Å; Y157-I174 HydrophobicContact CG-CD1 3.72Å; Y157-I174 HydrophobicContact CG-CG1 3.66Å; Y157-I174 PolarHBondContact OH-N 3.22Å; Y157-F177 AromaticContact CD2-CD2 3.83Å; Y157-F177 HydrophobicContact CD2-CD2 3.83Å; Y157-F177 HydrophobicContact CD2-CE2 4.22Å; Y157-F177 AromaticContact CE2-CD2 3.68Å; Y157-F177 HydrophobicContact CE2-CD2 3.68Å; Y157-F177 AromaticContact CE2-CE2 3.86Å; Y157-F177 HydrophobicContact CE2-CE2 3.86Å; Y157-P275 HydrophobicContact CD1-CG 3.89Å; Y157-P275 HydrophobicContact CE1-CB 4.42Å; Y157-P275 HydrophobicContact CE1-CG 3.91Å
158	T	98.4	Very high	97.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-55.2	-42.2	-179	-64.6	0	0	0	0	111.4	L154 V160 F161 Y162 R272 A273 P275	L154-T158 WeakPolarHBondContact O-CB 3.28Å; L154-T158 PolarHBondContact O-N 2.72Å; L154-T158 PolarHBondContact O-OG1 3.44Å; T158-V160 VanDerWaalsContact C-N 3.34Å; T158-V160 PolarHBondContact O-N 3.32Å; T158-F161 PolarHBondContact O-N 3.16Å; T158-Y162 HydrophobicContact CG2-CD2 3.63Å; T158-Y162 HydrophobicContact CG2-CE2 3.65Å; T158-Y162 VanDerWaalsContact O-CD2 3.3Å; T158-Y162 WeakPolarHBondContact O-CD2 3.49Å; T158-Y162 PolarHBondContact O-N 2.87Å; T158-R272 HydrophobicContact CG2-CB 3.77Å; T158-A273 VanDerWaalsContact CG2-O 3.29Å; T158-A273 WeakPolarHBondContact CG2-O 3.4Å; T158-P275 WeakPolarHBondContact OG1-CD 3.38Å
159	Q	97.9	Very high	97.4	Very high	30 Å²	30	56.1 Å²	56.1	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-47	177.1	-179.2	68.3	52.4	0	0	111.9	K64 S155 D156 Y157 N163	K64-Q159 HydrophobicContact CD-CB 4.15Å; K64-Q159 HydrophobicContact CD-CG 4.48Å; S155-Q159 PolarHBondContact O-N 3.46Å; D156-Q159 PolarHBondContact O-N 2.84Å; Y157-Q159 VanDerWaalsContact C-N 3.26Å; Y157-Q159 PolarHBondContact O-N 3.03Å; Q159-N163 PolarHBondContact NE2-OD1 3.48Å; Q159-N163 PolarHBondContact O-N 2.86Å; Q159-N163 VanDerWaalsContact O-N 3.15Å; Q159-N163 PolarHBondContact O-OD1 3.47Å; Q159-N163 VanDerWaalsContact O-OD1 3.11Å
160	V	97.6	Very high	97.2	Very high	29 Å²	29	62 Å²	62	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-39.5	-177.3	-175.5	0	0	0	0	110.8	D156 Y157 T158 N163 H164 Y171	D156-V160 PolarHBondContact O-N 3.31Å; Y157-V160 PolarHBondContact O-N 3Å; T158-V160 VanDerWaalsContact C-N 3.34Å; T158-V160 PolarHBondContact O-N 3.32Å; V160-N163 PolarHBondContact O-N 3.22Å; V160-H164 PolarHBondContact O-N 3.18Å; V160-H164 PolarHBondContact O-ND1 3.49Å; V160-Y171 HydrophobicContact CB-CE1 4.17Å; V160-Y171 HydrophobicContact CG1-CD2 4.41Å; V160-Y171 HydrophobicContact CG1-CE1 3.98Å; V160-Y171 HydrophobicContact CG1-CE2 3.6Å; V160-Y171 VanDerWaalsContact CG1-OH 3.28Å; V160-Y171 WeakPolarHBondContact CG1-OH 3.27Å
161	F	97.6	Very high	97.1	Very high	65 Å²	65	64.4 Å²	64.4	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-56	-54.1	174.5	175.6	-102.1	0	0	0	111.7	Y157 T158 N163 H164 M165 Y171	Y157-F161 HydrophobicContact CE1-CB 4.1Å; Y157-F161 HydrophobicContact CE1-CG 4.35Å; Y157-F161 WeakPolarHBondContact O-CB 3.15Å; Y157-F161 PolarHBondContact O-N 3.25Å; T158-F161 PolarHBondContact O-N 3.16Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 3.48Å; F161-H164 WeakPolarHBondContact O-CB 3.42Å; F161-H164 PolarHBondContact O-N 3.04Å; F161-M165 HydrophobicContact CD1-CG 4.34Å; F161-M165 HydrophobicContact CD1-SD 3.78Å; F161-M165 HydrophobicContact CE1-CG 4.02Å; F161-M165 HydrophobicContact CE1-SD 3.11Å; F161-M165 WeakPolarHBondContact CE1-SD 3.25Å; F161-M165 HydrophobicContact CE2-CG 4.38Å; F161-M165 HydrophobicContact CE2-SD 4.36Å; F161-M165 HydrophobicContact CZ-CG 4.02Å; F161-M165 HydrophobicContact CZ-SD 3.46Å; F161-M165 WeakPolarHBondContact CZ-SD 3.43Å; F161-M165 WeakPolarHBondContact O-CG 3.1Å; F161-M165 PolarHBondContact O-N 2.86Å; F161-Y171 HydrophobicContact CB-CD1 4.02Å; F161-Y171 HydrophobicContact CD2-CD1 4.16Å
162	Y	95.8	Very high	97.1	Very high	82 Å²	82	63.5 Å²	63.5	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-36.1	178.1	-87.6	-88.2	0	0	0	112.9	T158 H164 M165 Q166 R272	T158-Y162 HydrophobicContact CG2-CD2 3.63Å; T158-Y162 HydrophobicContact CG2-CE2 3.65Å; T158-Y162 VanDerWaalsContact O-CD2 3.3Å; T158-Y162 WeakPolarHBondContact O-CD2 3.49Å; T158-Y162 PolarHBondContact O-N 2.87Å; Y162-H164 VanDerWaalsContact C-N 3.28Å; Y162-H164 PolarHBondContact O-N 2.81Å; Y162-M165 PolarHBondContact O-N 3.46Å; Y162-Q166 WeakPolarHBondContact O-CG 3.49Å; Y162-Q166 PolarHBondContact O-N 3.13Å; Y162-R272 HydrophobicContact CD2-CB 4.44Å; Y162-R272 VanDerWaalsContact CD2-CD 3.46Å; Y162-R272 HydrophobicContact CE2-CB 4.09Å; Y162-R272 HydrophobicContact CE2-CG 4.44Å
163	N	95.6	Very high	97	Very high	61 Å²	61	65.5 Å²	65.5	33%	0.326	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-34.4	175.2	-69.7	2.2	0	0	0	111.9	Q159 V160 F161 K167	Q159-N163 PolarHBondContact NE2-OD1 3.48Å; Q159-N163 PolarHBondContact O-N 2.86Å; Q159-N163 VanDerWaalsContact O-N 3.15Å; Q159-N163 PolarHBondContact O-OD1 3.47Å; Q159-N163 VanDerWaalsContact O-OD1 3.11Å; V160-N163 PolarHBondContact O-N 3.22Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 3.48Å; N163-K167 WeakPolarHBondContact O-CG 3.4Å; N163-K167 PolarHBondContact O-N 3.47Å
164	H	96.6	Very high	96.9	Very high	56 Å²	56	65.6 Å²	65.6	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-74	-42.8	175.1	-78.1	73.9	0	0	0	111.6	V160 F161 Y162 Q166 K167 R168 K169 Y171	V160-H164 PolarHBondContact O-N 3.18Å; V160-H164 PolarHBondContact O-ND1 3.49Å; F161-H164 WeakPolarHBondContact O-CB 3.42Å; F161-H164 PolarHBondContact O-N 3.04Å; Y162-H164 VanDerWaalsContact C-N 3.28Å; Y162-H164 PolarHBondContact O-N 2.81Å; H164-Q166 VanDerWaalsContact C-N 3.35Å; H164-Q166 PolarHBondContact O-N 3.25Å; H164-K167 CarbonylContact O-C 3.59Å; H164-K167 WeakPolarHBondContact O-CA 3.29Å; H164-K167 PolarHBondContact O-N 3.49Å; H164-R168 PolarHBondContact O-N 3.07Å; H164-K169 CarbonylContact C-O 3.6Å; H164-K169 HydrophobicContact CB-CB 4.32Å; H164-K169 PolarHBondContact O-N 3.29Å; H164-Y171 HydrophobicContact CB-CD2 4.33Å; H164-Y171 HydrophobicContact CB-CG 4.27Å; H164-Y171 AromaticContact CD2-CD2 3.62Å; H164-Y171 AromaticContact CE1-CD2 3.54Å; H164-Y171 AromaticContact CE1-CE2 3.59Å; H164-Y171 AromaticContact CG-CD2 3.58Å; H164-Y171 AromaticContact CG-CG 4Å; H164-Y171 AromaticContact ND1-CD2 3.53Å; H164-Y171 AromaticContact ND1-CE2 3.87Å; H164-Y171 AromaticContact NE2-CD2 3.64Å; H164-Y171 AromaticContact NE2-CE2 3.96Å
165	M	94.5	Very high	96.8	Very high	103 Å²	103	67.9 Å²	67.9	51%	0.507	32%	0.323	S	S	.	.	H	α-helix	trans	-56.8	-46.3	174.9	-71.4	-173.8	77.1	0	0	112.3	F161 Y162 K167 R168	F161-M165 HydrophobicContact CD1-CG 4.34Å; F161-M165 HydrophobicContact CD1-SD 3.78Å; F161-M165 HydrophobicContact CE1-CG 4.02Å; F161-M165 HydrophobicContact CE1-SD 3.11Å; F161-M165 WeakPolarHBondContact CE1-SD 3.25Å; F161-M165 HydrophobicContact CE2-CG 4.38Å; F161-M165 HydrophobicContact CE2-SD 4.36Å; F161-M165 HydrophobicContact CZ-CG 4.02Å; F161-M165 HydrophobicContact CZ-SD 3.46Å; F161-M165 WeakPolarHBondContact CZ-SD 3.43Å; F161-M165 WeakPolarHBondContact O-CG 3.1Å; F161-M165 PolarHBondContact O-N 2.86Å; Y162-M165 PolarHBondContact O-N 3.46Å; M165-K167 PolarHBondContact O-N 3.1Å; M165-R168 PolarHBondContact O-N 2.99Å
166	Q	94.3	Very high	96.8	Very high	123 Å²	123	73.1 Å²	73.1	58%	0.575	35%	0.346	S	S	*	.	H	α-helix	trans	-59.9	-31.8	176.9	-75	179.2	-17.6	0	0	112.4	Y162 H164 R168	Y162-Q166 WeakPolarHBondContact O-CG 3.49Å; Y162-Q166 PolarHBondContact O-N 3.13Å; H164-Q166 VanDerWaalsContact C-N 3.35Å; H164-Q166 PolarHBondContact O-N 3.25Å; Q166-R168 VanDerWaalsContact C-N 3.32Å
167	K	95.9	Very high	96.7	Very high	152 Å²	152	75.1 Å²	75.1	66%	0.661	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	5.9	176.3	-65.3	179.2	-177.2	-174.6	0	113.3	N163 H164 M165 K169	N163-K167 WeakPolarHBondContact O-CG 3.4Å; N163-K167 PolarHBondContact O-N 3.47Å; H164-K167 CarbonylContact O-C 3.59Å; H164-K167 WeakPolarHBondContact O-CA 3.29Å; H164-K167 PolarHBondContact O-N 3.49Å; M165-K167 PolarHBondContact O-N 3.1Å; K167-K169 HydrophobicContact CB-CD 4.37Å; K167-K169 HydrophobicContact CB-CG 4.15Å; K167-K169 PolarHBondContact O-N 3.42Å
168	R	95.8	Very high	96.6	Very high	239 Å²	239	74.8 Å²	74.8	90%	0.902	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	37	-174.1	-58.4	-178.6	178.1	141.7	-1.5	113	H164 M165 Q166	H164-R168 PolarHBondContact O-N 3.07Å; M165-R168 PolarHBondContact O-N 2.99Å; Q166-R168 VanDerWaalsContact C-N 3.32Å
169	K	96.9	Very high	96.5	Very high	125 Å²	125	77.2 Å²	77.2	54%	0.543	37%	0.368	S	S	.	.			trans	-103.1	140.4	176.1	-66.3	-172.8	178	-169	0	109.8	H164 K167	H164-K169 CarbonylContact C-O 3.6Å; H164-K169 HydrophobicContact CB-CB 4.32Å; H164-K169 PolarHBondContact O-N 3.29Å; K167-K169 HydrophobicContact CB-CD 4.37Å; K167-K169 HydrophobicContact CB-CG 4.15Å; K167-K169 PolarHBondContact O-N 3.42Å
170	P	95.8	Very high	96.4	Very high	123 Å²	123	81.4 Å²	81.4	80%	0.799	38%	0.383	S	S	*	.			trans	-63.4	148.7	171.5	28.7	-34.1	0	0	0	110
171	Y	97.1	Very high	96.2	Very high	52 Å²	52	87.1 Å²	87.1	20%	0.204	41%	0.412	C	S	.	.			trans	-141.7	131.1	171.6	-160.4	-112.5	0	0	0	108	Y157 V160 F161 H164 F177	Y157-Y171 AromaticContact CD2-CE1 3.93Å; Y157-Y171 HydrophobicContact CD2-CE1 3.93Å; Y157-Y171 AromaticContact CE2-CD1 3.94Å; Y157-Y171 HydrophobicContact CE2-CD1 3.94Å; Y157-Y171 AromaticContact CE2-CE1 3.69Å; Y157-Y171 HydrophobicContact CE2-CE1 3.69Å; V160-Y171 HydrophobicContact CB-CE1 4.17Å; V160-Y171 HydrophobicContact CG1-CD2 4.41Å; V160-Y171 HydrophobicContact CG1-CE1 3.98Å; V160-Y171 HydrophobicContact CG1-CE2 3.6Å; V160-Y171 VanDerWaalsContact CG1-OH 3.28Å; V160-Y171 WeakPolarHBondContact CG1-OH 3.27Å; F161-Y171 HydrophobicContact CB-CD1 4.02Å; F161-Y171 HydrophobicContact CD2-CD1 4.16Å; H164-Y171 HydrophobicContact CB-CD2 4.33Å; H164-Y171 HydrophobicContact CB-CG 4.27Å; H164-Y171 AromaticContact CD2-CD2 3.62Å; H164-Y171 AromaticContact CE1-CD2 3.54Å; H164-Y171 AromaticContact CE1-CE2 3.59Å; H164-Y171 AromaticContact CG-CD2 3.58Å; H164-Y171 AromaticContact CG-CG 4Å; H164-Y171 AromaticContact ND1-CD2 3.53Å; H164-Y171 AromaticContact ND1-CE2 3.87Å; H164-Y171 AromaticContact NE2-CD2 3.64Å; H164-Y171 AromaticContact NE2-CE2 3.96Å; Y171-F177 HydrophobicContact CD1-CE2 4.03Å; Y171-F177 HydrophobicContact CE1-CD2 4.4Å; Y171-F177 AromaticContact CE1-CE2 3.46Å; Y171-F177 HydrophobicContact CE1-CE2 3.46Å; Y171-F177 VanDerWaalsContact CE1-CE2 3.46Å; Y171-F177 AromaticContact CE1-CZ 3.9Å; Y171-F177 HydrophobicContact CE1-CZ 3.9Å; Y171-F177 HydrophobicContact CE2-CE2 4.29Å; Y171-F177 AromaticContact CE2-CZ 3.89Å; Y171-F177 HydrophobicContact CE2-CZ 3.89Å; Y171-F177 AromaticContact CZ-CE2 3.58Å; Y171-F177 AromaticContact CZ-CZ 3.49Å; Y171-F177 VanDerWaalsContact CZ-CZ 3.49Å; Y171-F177 WeakPolarHBondContact OH-CZ 3.11Å
172	P	96.8	Very high	95.8	Very high	50 Å²	50	86.7 Å²	86.7	33%	0.325	43%	0.427	S	S	.	.			trans	-57.3	157	179.5	-23.4	32.7	0	0	0	112.2	Y157 E176 F177	Y157-P172 WeakPolarHBondContact CE2-O 3.31Å; Y157-P172 PolarHBondContact OH-O 2.93Å; P172-E176 HydrophobicContact CB-CB 3.94Å; P172-E176 HydrophobicContact CB-CG 4.5Å; P172-F177 HydrophobicContact CB-CD2 4.34Å; P172-F177 HydrophobicContact CB-CE2 3.71Å; P172-F177 HydrophobicContact CB-CZ 4.01Å; P172-F177 HydrophobicContact CG-CE2 3.99Å; P172-F177 HydrophobicContact CG-CZ 3.79Å
173	S	96.9	Very high	95.7	Very high	42 Å²	42	92.2 Å²	92.2	29%	0.294	45%	0.447	S	S	.	.			trans	-60.4	163.9	169.9	64.5	0	0	0	0	111.6	Y157 E175 E176 F177	Y157-S173 WeakPolarHBondContact OH-CA 3.48Å; S173-E175 VanDerWaalsContact C-N 3.29Å; S173-E175 WeakPolarHBondContact CB-OE2 3.35Å; S173-E175 PolarHBondContact O-N 3.01Å; S173-E176 WeakPolarHBondContact CB-OE1 3.46Å; S173-E176 PolarHBondContact N-OE1 3.21Å; S173-E176 PolarHBondContact O-N 3.3Å; S173-E176 VanDerWaalsContact OG-CG 3.28Å; S173-E176 WeakPolarHBondContact OG-CG 3.39Å; S173-E176 PolarHBondContact OG-N 3.4Å; S173-E176 PolarHBondContact OG-OE1 3.35Å; S173-F177 VanDerWaalsContact O-CD2 3.25Å; S173-F177 WeakPolarHBondContact O-CD2 3.3Å
174	I	97.6	Very high	95.7	Very high	2 Å²	2	90.9 Å²	90.9	1%	0.01	44%	0.439	C	S	.	.	H	α-helix	trans	-70.9	-31.7	-179.9	-165.4	174.4	0	0	0	111.4	L154 Y157 E176 F177 L178 P275 V277	L154-I174 HydrophobicContact CD2-CD1 3.29Å; Y157-I174 HydrophobicContact CD1-CB 3.85Å; Y157-I174 HydrophobicContact CD1-CD1 3.84Å; Y157-I174 HydrophobicContact CD1-CG1 3.99Å; Y157-I174 HydrophobicContact CD2-CB 3.86Å; Y157-I174 HydrophobicContact CD2-CD1 4.37Å; Y157-I174 HydrophobicContact CD2-CG1 3.79Å; Y157-I174 HydrophobicContact CE1-CB 3.78Å; Y157-I174 HydrophobicContact CE1-CG1 4.43Å; Y157-I174 HydrophobicContact CE2-CB 3.78Å; Y157-I174 HydrophobicContact CE2-CG1 4.24Å; Y157-I174 HydrophobicContact CG-CB 3.9Å; Y157-I174 HydrophobicContact CG-CD1 3.72Å; Y157-I174 HydrophobicContact CG-CG1 3.66Å; Y157-I174 PolarHBondContact OH-N 3.22Å; I174-E176 VanDerWaalsContact C-N 3.3Å; I174-E176 PolarHBondContact O-N 3.32Å; I174-F177 PolarHBondContact O-N 2.87Å; I174-F177 VanDerWaalsContact O-N 3.08Å; I174-L178 HydrophobicContact CD1-CD1 4.06Å; I174-L178 HydrophobicContact CG1-CD1 3.78Å; I174-L178 HydrophobicContact CG1-CG 4.04Å; I174-L178 WeakPolarHBondContact O-CB 3.34Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 3.28Å; I174-P275 HydrophobicContact CB-CG 4.43Å; I174-P275 HydrophobicContact CD1-CG 4.18Å; I174-P275 HydrophobicContact CG2-CB 4.46Å; I174-P275 HydrophobicContact CG2-CG 4.07Å; I174-V277 HydrophobicContact CG2-CG2 3.77Å
175	E	97.3	Very high	95.7	Very high	63 Å²	63	89.2 Å²	89.2	29%	0.294	43%	0.433	S	S	.	.	H	α-helix	trans	-58.2	-42.5	174.8	-68	70.7	-160	0	0	111.2	S173 F177 L178 V179 L281	S173-E175 VanDerWaalsContact C-N 3.29Å; S173-E175 WeakPolarHBondContact CB-OE2 3.35Å; S173-E175 PolarHBondContact O-N 3.01Å; E175-F177 PolarHBondContact O-N 3.43Å; E175-L178 PolarHBondContact O-N 2.86Å; E175-V179 WeakPolarHBondContact O-CB 3.07Å; E175-V179 PolarHBondContact O-N 3.05Å; E175-L281 HydrophobicContact CB-CD2 4.36Å; E175-L281 HydrophobicContact CG-CD2 3.91Å
176	E	96.8	Very high	95.7	Very high	124 Å²	124	87.8 Å²	87.8	58%	0.579	43%	0.43	S	S	*	.	H	α-helix	trans	-63.8	-27.6	176.4	-71.8	168.7	-91.6	0	0	112.9	P172 S173 I174	P172-E176 HydrophobicContact CB-CB 3.94Å; P172-E176 HydrophobicContact CB-CG 4.5Å; S173-E176 WeakPolarHBondContact CB-OE1 3.46Å; S173-E176 PolarHBondContact N-OE1 3.21Å; S173-E176 PolarHBondContact O-N 3.3Å; S173-E176 VanDerWaalsContact OG-CG 3.28Å; S173-E176 WeakPolarHBondContact OG-CG 3.39Å; S173-E176 PolarHBondContact OG-N 3.4Å; S173-E176 PolarHBondContact OG-OE1 3.35Å; I174-E176 VanDerWaalsContact C-N 3.3Å; I174-E176 PolarHBondContact O-N 3.32Å
177	F	96.8	Very high	95.8	Very high	44 Å²	44	86.9 Å²	86.9	19%	0.193	43%	0.429	C	S	.	.	H	α-helix	trans	-83.6	-37.9	172.9	-72.1	-68.6	0	0	0	112.7	Y157 Y171 P172 S173 I174 E175 N185 Y188	Y157-F177 AromaticContact CD2-CD2 3.83Å; Y157-F177 HydrophobicContact CD2-CD2 3.83Å; Y157-F177 HydrophobicContact CD2-CE2 4.22Å; Y157-F177 AromaticContact CE2-CD2 3.68Å; Y157-F177 HydrophobicContact CE2-CD2 3.68Å; Y157-F177 AromaticContact CE2-CE2 3.86Å; Y157-F177 HydrophobicContact CE2-CE2 3.86Å; Y171-F177 HydrophobicContact CD1-CE2 4.03Å; Y171-F177 HydrophobicContact CE1-CD2 4.4Å; Y171-F177 AromaticContact CE1-CE2 3.46Å; Y171-F177 HydrophobicContact CE1-CE2 3.46Å; Y171-F177 VanDerWaalsContact CE1-CE2 3.46Å; Y171-F177 AromaticContact CE1-CZ 3.9Å; Y171-F177 HydrophobicContact CE1-CZ 3.9Å; Y171-F177 HydrophobicContact CE2-CE2 4.29Å; Y171-F177 AromaticContact CE2-CZ 3.89Å; Y171-F177 HydrophobicContact CE2-CZ 3.89Å; Y171-F177 AromaticContact CZ-CE2 3.58Å; Y171-F177 AromaticContact CZ-CZ 3.49Å; Y171-F177 VanDerWaalsContact CZ-CZ 3.49Å; Y171-F177 WeakPolarHBondContact OH-CZ 3.11Å; P172-F177 HydrophobicContact CB-CD2 4.34Å; P172-F177 HydrophobicContact CB-CE2 3.71Å; P172-F177 HydrophobicContact CB-CZ 4.01Å; P172-F177 HydrophobicContact CG-CE2 3.99Å; P172-F177 HydrophobicContact CG-CZ 3.79Å; S173-F177 VanDerWaalsContact O-CD2 3.25Å; S173-F177 WeakPolarHBondContact O-CD2 3.3Å; I174-F177 PolarHBondContact O-N 2.87Å; I174-F177 VanDerWaalsContact O-N 3.08Å; E175-F177 PolarHBondContact O-N 3.43Å; F177-N185 VanDerWaalsContact O-CB 3.3Å; F177-N185 WeakPolarHBondContact O-CB 3.46Å; F177-N185 PolarHBondContact O-ND2 2.84Å; F177-Y188 HydrophobicContact CB-CD1 4.12Å; F177-Y188 HydrophobicContact CB-CD2 4.17Å; F177-Y188 HydrophobicContact CB-CE1 4.07Å; F177-Y188 HydrophobicContact CB-CE2 4.13Å; F177-Y188 HydrophobicContact CB-CG 4.19Å; F177-Y188 HydrophobicContact CD1-CD2 4.22Å; F177-Y188 HydrophobicContact CD1-CE2 4.1Å; F177-Y188 HydrophobicContact CG-CD2 4.46Å; F177-Y188 HydrophobicContact CG-CE2 4.17Å
178	L	96.9	Very high	95.8	Very high	1 Å²	1	80.8 Å²	80.8	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-81.2	-22.6	-175.3	-72.8	176.5	0	0	0	113.2	V153 I174 E175 L184 N185 Y188 L191 L281 L285	V153-L178 HydrophobicContact CG1-CD2 4.18Å; I174-L178 HydrophobicContact CD1-CD1 4.06Å; I174-L178 HydrophobicContact CG1-CD1 3.78Å; I174-L178 HydrophobicContact CG1-CG 4.04Å; I174-L178 WeakPolarHBondContact O-CB 3.34Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 3.28Å; E175-L178 PolarHBondContact O-N 2.86Å; L178-L184 HydrophobicContact CB-CD1 4.48Å; L178-L184 HydrophobicContact CD2-CD1 4.4Å; L178-L184 CarbonylContact O-C 3.58Å; L178-L184 VanDerWaalsContact O-CA 3.31Å; L178-L184 WeakPolarHBondContact O-CA 3.5Å; L178-L184 WeakPolarHBondContact O-CD1 3.5Å; L178-N185 PolarHBondContact O-N 2.93Å; L178-Y188 HydrophobicContact CD2-CD1 4.02Å; L178-Y188 HydrophobicContact CD2-CE1 4.39Å; L178-L191 HydrophobicContact CD2-CD1 3.67Å; L178-L281 HydrophobicContact CB-CD1 4.33Å; L178-L281 HydrophobicContact CB-CD2 4.13Å; L178-L281 HydrophobicContact CD1-CD2 4.1Å; L178-L281 HydrophobicContact CD1-CG 4.37Å; L178-L285 HydrophobicContact CD2-CD1 4.25Å
179	V	96.5	Very high	95.9	Very high	55 Å²	55	76.5 Å²	76.5	33%	0.333	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.6	-175.3	-175.8	0	0	0	0	110.8	E175 R183 L281	E175-V179 WeakPolarHBondContact O-CB 3.07Å; E175-V179 PolarHBondContact O-N 3.05Å; V179-R183 CarbonylContact C-O 3.51Å; V179-R183 VanDerWaalsContact CA-O 3.29Å; V179-R183 WeakPolarHBondContact CA-O 3.4Å; V179-L281 HydrophobicContact CG2-CD1 3.62Å; V179-L281 HydrophobicContact CG2-CD2 3.92Å; V179-L281 HydrophobicContact CG2-CG 4.44Å
180	R	95.1	Very high	96	Very high	119 Å²	119	70.6 Å²	70.6	45%	0.449	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.5	169.2	-171	176.6	69.5	-161.7	-4.3	108.5	G182 R183 N185 D187	R180-G182 PolarHBondContact O-N 3.15Å; R180-R183 PolarHBondContact N-O 3.42Å; R180-R183 PolarHBondContact O-N 3.05Å; R180-R183 VanDerWaalsContact O-O 3.1Å; R180-N185 HydrophobicContact CB-CB 3.92Å; R180-D187 IonicContact CZ-OD2 3.95Å; R180-D187 IonicContact NH1-OD2 3.68Å; R180-D187 PolarHBondContact NH1-OD2 3.26Å; R180-D187 IonicContact NH2-OD2 3.72Å; R180-D187 PolarHBondContact NH2-OD2 3.05Å
181	D	93.1	Very high	96.1	Very high	148 Å²	148	64.7 Å²	64.7	79%	0.791	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	40.1	-178.8	-49.7	-43.1	0	0	0	113.5	R183	D181-R183 PolarHBondContact O-N 3.11Å
182	G	90.7	Very high	96.1	Very high	57 Å²	57	65.9 Å²	65.9	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	4.9	-179.5	0	0	0	0	0	115.4	R180	R180-G182 PolarHBondContact O-N 3.15Å
183	R	93.6	Very high	96.2	Very high	197 Å²	197	66.1 Å²	66.1	74%	0.743	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	164.7	-179.8	-64.5	-177.1	175.6	136.5	-1.8	111.5	V179 R180 D181 N185	V179-R183 CarbonylContact C-O 3.51Å; V179-R183 VanDerWaalsContact CA-O 3.29Å; V179-R183 WeakPolarHBondContact CA-O 3.4Å; R180-R183 PolarHBondContact N-O 3.42Å; R180-R183 PolarHBondContact O-N 3.05Å; R180-R183 VanDerWaalsContact O-O 3.1Å; D181-R183 PolarHBondContact O-N 3.11Å; R183-N185 PolarHBondContact O-N 3.32Å
184	L	94.9	Very high	96.3	Very high	33 Å²	33	64.1 Å²	64.1	17%	0.173	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	128	175.1	-168.4	74.5	0	0	0	110.1	L178 V186 L191 L281 L285 Y288	L178-L184 HydrophobicContact CB-CD1 4.48Å; L178-L184 HydrophobicContact CD2-CD1 4.4Å; L178-L184 CarbonylContact O-C 3.58Å; L178-L184 VanDerWaalsContact O-CA 3.31Å; L178-L184 WeakPolarHBondContact O-CA 3.5Å; L178-L184 WeakPolarHBondContact O-CD1 3.5Å; L184-V186 PolarHBondContact O-N 2.9Å; L184-L191 HydrophobicContact CD1-CD2 4.46Å; L184-L191 HydrophobicContact CD2-CD2 3.86Å; L184-L191 HydrophobicContact CG-CD2 3.99Å; L184-L281 HydrophobicContact CD1-CD1 4.4Å; L184-L285 HydrophobicContact CD1-CD1 4.34Å; L184-Y288 HydrophobicContact CD2-CD1 4.04Å; L184-Y288 HydrophobicContact CD2-CD2 3.64Å; L184-Y288 HydrophobicContact CD2-CE2 4.37Å; L184-Y288 HydrophobicContact CD2-CG 3.43Å; L184-Y288 VanDerWaalsContact CD2-CG 3.43Å
185	N	96.9	Very high	96.4	Very high	22 Å²	22	65.1 Å²	65.1	12%	0.118	32%	0.321	C	S	.	.			trans	-83.5	89.9	-179.4	-179.9	19.3	0	0	0	111	F177 L178 R180 R183 D187 Y188	F177-N185 VanDerWaalsContact O-CB 3.3Å; F177-N185 WeakPolarHBondContact O-CB 3.46Å; F177-N185 PolarHBondContact O-ND2 2.84Å; L178-N185 PolarHBondContact O-N 2.93Å; R180-N185 HydrophobicContact CB-CB 3.92Å; R183-N185 PolarHBondContact O-N 3.32Å; N185-D187 PolarHBondContact O-N 3.32Å; N185-D187 PolarHBondContact OD1-N 3.49Å; N185-Y188 WeakPolarHBondContact O-CB 3.47Å; N185-Y188 PolarHBondContact O-N 3.41Å; N185-Y188 VanDerWaalsContact O-N 3.12Å
186	V	94.9	Very high	96.5	Very high	73 Å²	73	62.2 Å²	62.2	44%	0.442	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.4	-179.8	-61	0	0	0	0	114.1	L184 Y188 Y288	L184-V186 PolarHBondContact O-N 2.9Å; V186-Y188 PolarHBondContact O-N 2.98Å; V186-Y288 HydrophobicContact CG1-CD2 4.5Å; V186-Y288 HydrophobicContact CG1-CE2 3.72Å
187	D	95.4	Very high	96.5	Very high	104 Å²	104	57.4 Å²	57.4	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.7	177.4	-61.4	-36.2	0	0	0	112.5	R180 N185 K189	R180-D187 IonicContact CZ-OD2 3.95Å; R180-D187 IonicContact NH1-OD2 3.68Å; R180-D187 PolarHBondContact NH1-OD2 3.26Å; R180-D187 IonicContact NH2-OD2 3.72Å; R180-D187 PolarHBondContact NH2-OD2 3.05Å; N185-D187 PolarHBondContact O-N 3.32Å; N185-D187 PolarHBondContact OD1-N 3.49Å; D187-K189 PolarHBondContact O-N 3.5Å
188	Y	97.2	Very high	96.6	Very high	24 Å²	24	58.1 Å²	58.1	9%	0.094	29%	0.293	C	S	.	.			trans	-65	114.1	174.8	178.9	-144.7	0	0	0	110	V153 F177 L178 N185 V186 A190 L191	V153-Y188 HydrophobicContact CG1-CE1 4.11Å; F177-Y188 HydrophobicContact CB-CD1 4.12Å; F177-Y188 HydrophobicContact CB-CD2 4.17Å; F177-Y188 HydrophobicContact CB-CE1 4.07Å; F177-Y188 HydrophobicContact CB-CE2 4.13Å; F177-Y188 HydrophobicContact CB-CG 4.19Å; F177-Y188 HydrophobicContact CD1-CD2 4.22Å; F177-Y188 HydrophobicContact CD1-CE2 4.1Å; F177-Y188 HydrophobicContact CG-CD2 4.46Å; F177-Y188 HydrophobicContact CG-CE2 4.17Å; L178-Y188 HydrophobicContact CD2-CD1 4.02Å; L178-Y188 HydrophobicContact CD2-CE1 4.39Å; N185-Y188 WeakPolarHBondContact O-CB 3.47Å; N185-Y188 PolarHBondContact O-N 3.41Å; N185-Y188 VanDerWaalsContact O-N 3.12Å; V186-Y188 PolarHBondContact O-N 2.98Å; Y188-A190 HydrophobicContact CD1-CB 3.9Å; Y188-A190 HydrophobicContact CD2-CB 4.46Å; Y188-A190 HydrophobicContact CE1-CB 3.39Å; Y188-A190 HydrophobicContact CE2-CB 4.02Å; Y188-A190 HydrophobicContact CG-CB 4.39Å; Y188-A190 VanDerWaalsContact CZ-CB 3.45Å; Y188-A190 PolarHBondContact O-N 3.41Å; Y188-L191 HydrophobicContact CD1-CD1 3.56Å; Y188-L191 HydrophobicContact CE1-CD1 4.41Å; Y188-L191 HydrophobicContact CG-CD1 4.28Å; Y188-L191 WeakPolarHBondContact O-CB 3.38Å; Y188-L191 PolarHBondContact O-N 2.92Å
189	K	97.3	Very high	96.7	Very high	149 Å²	149	59 Å²	59	65%	0.648	30%	0.297	S	S	*	.	H	α-helix	trans	-52.5	-28.3	-173.8	-65.1	-174.5	179	-178.2	0	114.4	D187 L191 N192 R193	D187-K189 PolarHBondContact O-N 3.5Å; K189-L191 VanDerWaalsContact C-N 3.33Å; K189-N192 PolarHBondContact O-N 3.23Å; K189-R193 WeakPolarHBondContact O-CG 3.47Å; K189-R193 PolarHBondContact O-N 3.41Å; K189-R193 VanDerWaalsContact O-N 3.15Å
190	A	97.8	Very high	96.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-35	176.1	0	0	0	0	0	112	R152 V153 D156 Y188 R193 S194	R152-A190 PolarHBondContact NH2-O 3.34Å; V153-A190 HydrophobicContact CG1-CB 4.14Å; V153-A190 HydrophobicContact CG2-CB 4.29Å; D156-A190 HydrophobicContact CB-CB 4.18Å; Y188-A190 HydrophobicContact CD1-CB 3.9Å; Y188-A190 HydrophobicContact CD2-CB 4.46Å; Y188-A190 HydrophobicContact CE1-CB 3.39Å; Y188-A190 HydrophobicContact CE2-CB 4.02Å; Y188-A190 HydrophobicContact CG-CB 4.39Å; Y188-A190 VanDerWaalsContact CZ-CB 3.45Å; Y188-A190 PolarHBondContact O-N 3.41Å; A190-R193 PolarHBondContact O-N 3.17Å; A190-S194 PolarHBondContact O-N 3.45Å
191	L	98.4	Very high	97	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-47	174.9	-86.5	62	0	0	0	110.2	V153 L178 L184 Y188 K189 R193 S194 L195 L285 Y288 F289	V153-L191 HydrophobicContact CG1-CD1 4.08Å; V153-L191 HydrophobicContact CG2-CD1 4.13Å; L178-L191 HydrophobicContact CD2-CD1 3.67Å; L184-L191 HydrophobicContact CD1-CD2 4.46Å; L184-L191 HydrophobicContact CD2-CD2 3.86Å; L184-L191 HydrophobicContact CG-CD2 3.99Å; Y188-L191 HydrophobicContact CD1-CD1 3.56Å; Y188-L191 HydrophobicContact CE1-CD1 4.41Å; Y188-L191 HydrophobicContact CG-CD1 4.28Å; Y188-L191 WeakPolarHBondContact O-CB 3.38Å; Y188-L191 PolarHBondContact O-N 2.92Å; K189-L191 VanDerWaalsContact C-N 3.33Å; L191-R193 VanDerWaalsContact C-N 3.33Å; L191-R193 PolarHBondContact O-N 2.87Å; L191-S194 WeakPolarHBondContact O-CA 3.34Å; L191-S194 WeakPolarHBondContact O-CB 3.42Å; L191-S194 PolarHBondContact O-N 3.24Å; L191-L195 PolarHBondContact O-N 3.18Å; L191-L285 HydrophobicContact CD1-CD1 4.23Å; L191-L285 HydrophobicContact CG-CD1 4.26Å; L191-Y288 HydrophobicContact CB-CE1 4.16Å; L191-Y288 HydrophobicContact CD2-CD1 4.24Å; L191-Y288 HydrophobicContact CD2-CE1 3.89Å; L191-Y288 HydrophobicContact CG-CD1 4.48Å; L191-Y288 HydrophobicContact CG-CE1 4.06Å; L191-F289 HydrophobicContact CB-CZ 4.4Å; L191-F289 HydrophobicContact CG-CZ 4.12Å
192	N	98.3	Very high	97.3	Very high	77 Å²	77	50 Å²	50	41%	0.412	25%	0.253	S	S	.	.	H	α-helix	trans	-57.5	-43.6	178.2	179	-89.4	0	0	0	112.5	K189 S194 L195 H199	K189-N192 PolarHBondContact O-N 3.23Å; N192-S194 PolarHBondContact O-N 2.88Å; N192-L195 WeakPolarHBondContact O-CB 3.45Å; N192-L195 PolarHBondContact O-N 3.14Å; N192-H199 PolarHBondContact O-NE2 2.84Å; N192-H199 PolarHBondContact OD1-CE1 3.42Å
193	R	98.6	Very high	97.7	Very high	55 Å²	55	47.3 Å²	47.3	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-18.8	176.7	-65.1	-174.6	-163.9	102	12.5	113.9	T125 D156 K189 A190 L191	T125-R193 HydrophobicContact CG2-CB 4.1Å; T125-R193 HydrophobicContact CG2-CG 4.03Å; D156-R193 IonicContact OD2-NH1 3.86Å; D156-R193 PolarHBondContact OD2-NH1 2.63Å; D156-R193 VanDerWaalsContact OD2-NH1 3.09Å; K189-R193 WeakPolarHBondContact O-CG 3.47Å; K189-R193 PolarHBondContact O-N 3.41Å; K189-R193 VanDerWaalsContact O-N 3.15Å; A190-R193 PolarHBondContact O-N 3.17Å; L191-R193 VanDerWaalsContact C-N 3.33Å; L191-R193 PolarHBondContact O-N 2.87Å
194	S	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-89.6	-6.9	174.3	-73.1	0	0	0	0	113.7	P149 R152 V153 A190 L191 N192 Y196	P149-S194 PolarHBondContact O-OG 2.62Å; R152-S194 PolarHBondContact NE-OG 3.39Å; V153-S194 WeakPolarHBondContact CG2-OG 3.3Å; A190-S194 PolarHBondContact O-N 3.45Å; L191-S194 WeakPolarHBondContact O-CA 3.34Å; L191-S194 WeakPolarHBondContact O-CB 3.42Å; L191-S194 PolarHBondContact O-N 3.24Å; N192-S194 PolarHBondContact O-N 2.88Å; S194-Y196 PolarHBondContact O-N 3.03Å
195	L	98.8	Very high	98.1	Very high	23 Å²	23	48 Å²	48	12%	0.12	23%	0.229	C	C	.	.			trans	-78.4	70.3	173.4	-63.2	176.3	0	0	0	110.4	L191 N192 H197 V198 H199 Y288 F289 P292	L191-L195 PolarHBondContact O-N 3.18Å; N192-L195 WeakPolarHBondContact O-CB 3.45Å; N192-L195 PolarHBondContact O-N 3.14Å; L195-H197 VanDerWaalsContact C-N 3.28Å; L195-H197 PolarHBondContact O-N 3.48Å; L195-V198 HydrophobicContact CB-CB 4.37Å; L195-V198 HydrophobicContact CB-CG2 3.94Å; L195-V198 HydrophobicContact CD1-CG2 4.47Å; L195-V198 WeakPolarHBondContact O-CB 3.23Å; L195-V198 PolarHBondContact O-N 3.22Å; L195-V198 VanDerWaalsContact O-N 3.08Å; L195-H199 PolarHBondContact O-CD2 3.01Å; L195-H199 VanDerWaalsContact O-CD2 3.22Å; L195-Y288 HydrophobicContact CD2-CE1 4.15Å; L195-F289 HydrophobicContact CD2-CD1 4.21Å; L195-F289 HydrophobicContact CD2-CE1 4.11Å; L195-P292 HydrophobicContact CD2-CB 3.79Å; L195-P292 HydrophobicContact CD2-CG 3.74Å
196	Y	98.9	Very high	98.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-36.5	-169.8	-56.4	-36.3	0	0	0	113.8	V62 F124 L146 R147 P149 R152 S194 V198 H199 M200 W306	V62-Y196 HydrophobicContact CB-CE1 4.41Å; V62-Y196 HydrophobicContact CG1-CE1 3.99Å; V62-Y196 HydrophobicContact CG2-CE1 4.24Å; F124-Y196 HydrophobicContact CE1-CD1 4.12Å; L146-Y196 HydrophobicContact CB-CE2 4.24Å; L146-Y196 HydrophobicContact CD1-CD2 4Å; L146-Y196 HydrophobicContact CD1-CE2 4.46Å; L146-Y196 HydrophobicContact CD1-CG 4.13Å; L146-Y196 HydrophobicContact CD2-CD1 3.88Å; L146-Y196 HydrophobicContact CD2-CD2 4.33Å; L146-Y196 HydrophobicContact CD2-CE1 3.9Å; L146-Y196 HydrophobicContact CD2-CE2 4.33Å; L146-Y196 HydrophobicContact CD2-CG 4.1Å; R147-Y196 WeakPolarHBondContact O-CE2 3.4Å; R147-Y196 PolarHBondContact O-OH 3.29Å; P149-Y196 HydrophobicContact CB-CE2 4.16Å; R152-Y196 WeakPolarHBondContact CD-OH 3.45Å; S194-Y196 PolarHBondContact O-N 3.03Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 2.77Å; Y196-H199 PolarHBondContact O-N 3.17Å; Y196-M200 WeakPolarHBondContact O-CB 3.48Å; Y196-M200 PolarHBondContact O-N 3.21Å; Y196-W306 AromaticContact CD2-CH2 3.53Å; Y196-W306 HydrophobicContact CD2-CH2 3.53Å; Y196-W306 HydrophobicContact CD2-CZ2 4.41Å; Y196-W306 AromaticContact CD2-CZ3 3.76Å; Y196-W306 HydrophobicContact CD2-CZ3 3.76Å; Y196-W306 AromaticContact CE2-CH2 3.64Å; Y196-W306 HydrophobicContact CE2-CH2 3.64Å; Y196-W306 HydrophobicContact CE2-CZ2 4.1Å; Y196-W306 AromaticContact CE2-CZ3 3.99Å; Y196-W306 HydrophobicContact CE2-CZ3 3.99Å
197	H	98.9	Very high	98.4	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.102	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-37.2	177.9	73.9	89.2	0	0	0	112.8	L195 Q201 P292 K295 F296	L195-H197 VanDerWaalsContact C-N 3.28Å; L195-H197 PolarHBondContact O-N 3.48Å; H197-Q201 WeakPolarHBondContact O-CB 3.2Å; H197-Q201 VanDerWaalsContact O-CG 3.22Å; H197-Q201 WeakPolarHBondContact O-CG 3.18Å; H197-Q201 PolarHBondContact O-N 3.3Å; H197-P292 PolarHBondContact CD2-O 3.36Å; H197-P292 VanDerWaalsContact CD2-O 3.31Å; H197-K295 HydrophobicContact CB-CB 4.09Å; H197-F296 HydrophobicContact CB-CB 3.96Å; H197-F296 HydrophobicContact CB-CD2 4.5Å
198	V	98.8	Very high	98.6	Very high	60 Å²	60	43.7 Å²	43.7	36%	0.364	20%	0.203	S	C	.	.	H	α-helix	trans	-63.5	-49.8	-180	176.9	0	0	0	0	110.1	L195 Y196	L195-V198 HydrophobicContact CB-CB 4.37Å; L195-V198 HydrophobicContact CB-CG2 3.94Å; L195-V198 HydrophobicContact CD1-CG2 4.47Å; L195-V198 WeakPolarHBondContact O-CB 3.23Å; L195-V198 PolarHBondContact O-N 3.22Å; L195-V198 VanDerWaalsContact O-N 3.08Å; Y196-V198 VanDerWaalsContact C-N 3.29Å; Y196-V198 PolarHBondContact O-N 2.77Å
199	H	98.9	Very high	98.6	Very high	18 Å²	18	45.6 Å²	45.6	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-70.1	-43.6	-178.3	-58	-59.1	0	0	0	110.7	F124 N192 L195 Y196 Q201 N202 W203	F124-H199 HydrophobicContact CD1-CB 3.96Å; F124-H199 HydrophobicContact CD2-CB 4.36Å; F124-H199 HydrophobicContact CE1-CB 3.51Å; F124-H199 HydrophobicContact CE2-CB 3.94Å; F124-H199 HydrophobicContact CG-CB 4.38Å; F124-H199 HydrophobicContact CZ-CB 3.51Å; N192-H199 PolarHBondContact O-NE2 2.84Å; N192-H199 PolarHBondContact OD1-CE1 3.42Å; L195-H199 PolarHBondContact O-CD2 3.01Å; L195-H199 VanDerWaalsContact O-CD2 3.22Å; Y196-H199 PolarHBondContact O-N 3.17Å; H199-Q201 VanDerWaalsContact C-N 3.32Å; H199-Q201 PolarHBondContact O-N 3.48Å; H199-N202 VanDerWaalsContact O-CB 3.31Å; H199-N202 WeakPolarHBondContact O-CB 3.43Å; H199-N202 PolarHBondContact O-N 3.34Å; H199-W203 VanDerWaalsContact O-CD1 3.27Å; H199-W203 PolarHBondContact O-N 3Å
200	M	98.9	Very high	98.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-39.7	178.6	-170.2	65.1	178.8	0	0	112.3	F124 L144 Y196 N202 W203 L204 L209 I212 I214 F296 L299 V300	F124-M200 HydrophobicContact CE2-CB 4.44Å; F124-M200 HydrophobicContact CE2-SD 4.37Å; F124-M200 HydrophobicContact CZ-CB 4.37Å; L144-M200 HydrophobicContact CD2-SD 3.96Å; Y196-M200 WeakPolarHBondContact O-CB 3.48Å; Y196-M200 PolarHBondContact O-N 3.21Å; M200-N202 PolarHBondContact O-N 3.3Å; M200-W203 PolarHBondContact O-N 3.14Å; M200-W203 VanDerWaalsContact O-N 3.13Å; M200-L204 HydrophobicContact CE-CD1 4.29Å; M200-L204 HydrophobicContact CE-CD2 4.01Å; M200-L204 HydrophobicContact CE-CG 4.12Å; M200-L204 HydrophobicContact CG-CD1 3.98Å; M200-L204 HydrophobicContact CG-CG 4.26Å; M200-L204 WeakPolarHBondContact O-CG 3.35Å; M200-L204 PolarHBondContact O-N 2.88Å; M200-L209 HydrophobicContact CE-CD1 3.43Å; M200-L209 VanDerWaalsContact CE-CD1 3.43Å; M200-I212 HydrophobicContact CE-CB 4.2Å; M200-I212 HydrophobicContact CE-CD1 3.86Å; M200-I212 HydrophobicContact CE-CG2 4.09Å; M200-I212 HydrophobicContact SD-CD1 4.33Å; M200-I214 HydrophobicContact CE-CD1 4.32Å; M200-F296 HydrophobicContact CB-CD2 4.26Å; M200-F296 HydrophobicContact CB-CE2 3.96Å; M200-F296 HydrophobicContact CG-CE2 3.99Å; M200-L299 HydrophobicContact CB-CD2 3.86Å; M200-L299 HydrophobicContact CG-CD2 3.84Å; M200-V300 HydrophobicContact CE-CG1 4.05Å; M200-V300 HydrophobicContact CG-CG1 4.06Å
201	Q	98.9	Very high	98.7	Very high	104 Å²	104	49.4 Å²	49.4	49%	0.486	23%	0.226	S	C	.	.	H	α-helix	trans	-55.9	-40	173.2	-80.1	173.6	-7.1	0	0	111.9	H197 H199 L204 R205 L299	H197-Q201 WeakPolarHBondContact O-CB 3.2Å; H197-Q201 VanDerWaalsContact O-CG 3.22Å; H197-Q201 WeakPolarHBondContact O-CG 3.18Å; H197-Q201 PolarHBondContact O-N 3.3Å; H199-Q201 VanDerWaalsContact C-N 3.32Å; H199-Q201 PolarHBondContact O-N 3.48Å; Q201-L204 PolarHBondContact O-N 3.16Å; Q201-R205 WeakPolarHBondContact O-CG 3.34Å; Q201-R205 PolarHBondContact O-N 3.15Å; Q201-L299 HydrophobicContact CG-CD1 4.3Å; Q201-L299 HydrophobicContact CG-CD2 3.79Å
202	N	98.8	Very high	98.8	Very high	31 Å²	31	49.8 Å²	49.8	17%	0.166	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-41.2	177.5	-166.2	40.7	0	0	0	112.2	P127 P130 H199 M200 R205 F206	P127-N202 WeakPolarHBondContact CA-ND2 3.33Å; P127-N202 PolarHBondContact O-ND2 3.01Å; P130-N202 WeakPolarHBondContact CG-ND2 3.37Å; H199-N202 VanDerWaalsContact O-CB 3.31Å; H199-N202 WeakPolarHBondContact O-CB 3.43Å; H199-N202 PolarHBondContact O-N 3.34Å; M200-N202 PolarHBondContact O-N 3.3Å; N202-R205 WeakPolarHBondContact O-CB 3.29Å; N202-R205 PolarHBondContact O-N 2.85Å; N202-F206 WeakPolarHBondContact O-CD2 3.49Å
203	W	98.9	Very high	98.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-39.8	175.8	-74.9	85.4	0	0	0	112.5	I60 F124 V129 P130 V133 L142 H199 M200 R205 F206 F207 I212	I60-W203 HydrophobicContact CB-CH2 3.8Å; I60-W203 HydrophobicContact CB-CZ2 3.88Å; I60-W203 HydrophobicContact CB-CZ3 4.48Å; I60-W203 HydrophobicContact CD1-CD2 3.69Å; I60-W203 HydrophobicContact CD1-CE3 3.79Å; I60-W203 HydrophobicContact CD1-CG 4.4Å; I60-W203 HydrophobicContact CD1-CH2 3.84Å; I60-W203 HydrophobicContact CD1-CZ2 3.73Å; I60-W203 HydrophobicContact CD1-CZ3 3.87Å; I60-W203 HydrophobicContact CG1-CH2 4.43Å; I60-W203 HydrophobicContact CG1-CZ2 4.38Å; I60-W203 HydrophobicContact CG2-CH2 3.38Å; I60-W203 HydrophobicContact CG2-CZ2 4.01Å; I60-W203 HydrophobicContact CG2-CZ3 3.86Å; F124-W203 AromaticContact CD2-CD1 3.64Å; F124-W203 AromaticContact CD2-NE1 3.49Å; F124-W203 AromaticContact CE2-CD1 3.88Å; F124-W203 PolarHBondContact O-NE1 3.45Å; V129-W203 HydrophobicContact CG1-CH2 3.9Å; V129-W203 HydrophobicContact CG1-CZ2 4.02Å; P130-W203 HydrophobicContact CB-CD2 4.2Å; P130-W203 HydrophobicContact CB-CE3 4.23Å; P130-W203 HydrophobicContact CG-CD2 3.71Å; P130-W203 HydrophobicContact CG-CE3 4.19Å; P130-W203 HydrophobicContact CG-CG 3.93Å; P130-W203 HydrophobicContact CG-CZ2 4.16Å; V133-W203 HydrophobicContact CG2-CH2 4.32Å; L142-W203 HydrophobicContact CD1-CE3 3.51Å; L142-W203 HydrophobicContact CD1-CZ3 3.48Å; L142-W203 VanDerWaalsContact CD1-CZ3 3.48Å; L142-W203 HydrophobicContact CD2-CZ3 4.23Å; L142-W203 HydrophobicContact CG-CZ3 4.47Å; H199-W203 VanDerWaalsContact O-CD1 3.27Å; H199-W203 PolarHBondContact O-N 3Å; M200-W203 PolarHBondContact O-N 3.14Å; M200-W203 VanDerWaalsContact O-N 3.13Å; W203-R205 PolarHBondContact O-N 3.44Å; W203-F206 PolarHBondContact O-N 2.87Å; W203-F207 AromaticContact CE3-CD2 3.87Å; W203-F207 HydrophobicContact CE3-CD2 3.87Å; W203-F207 AromaticContact CE3-CE2 3.97Å; W203-F207 HydrophobicContact CE3-CE2 3.97Å; W203-F207 HydrophobicContact CZ3-CD2 4.35Å; W203-F207 HydrophobicContact CZ3-CE2 4.02Å; W203-F207 PolarHBondContact O-N 3.13Å; W203-I212 HydrophobicContact CB-CD1 3.95Å
204	L	98.9	Very high	98.8	Very high	50 Å²	50	45.7 Å²	45.7	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-68.9	-12.4	-179.3	-70.6	175.5	0	0	0	114.2	M200 Q201 F206 F207 L209 I212 L299	M200-L204 HydrophobicContact CE-CD1 4.29Å; M200-L204 HydrophobicContact CE-CD2 4.01Å; M200-L204 HydrophobicContact CE-CG 4.12Å; M200-L204 HydrophobicContact CG-CD1 3.98Å; M200-L204 HydrophobicContact CG-CG 4.26Å; M200-L204 WeakPolarHBondContact O-CG 3.35Å; M200-L204 PolarHBondContact O-N 2.88Å; Q201-L204 PolarHBondContact O-N 3.16Å; L204-F206 PolarHBondContact O-N 3.11Å; L204-F207 WeakPolarHBondContact CA-O 3.33Å; L204-L209 HydrophobicContact CD2-CB 3.85Å; L204-L209 HydrophobicContact CD2-CD1 4.16Å; L204-I212 HydrophobicContact CD2-CD1 4.36Å; L204-L299 HydrophobicContact CD1-CD1 3.67Å; L204-L299 HydrophobicContact CD1-CD2 4.01Å; L204-L299 HydrophobicContact CD1-CG 3.69Å
205	R	98.8	Very high	98.8	Very high	194 Å²	194	45.7 Å²	45.7	73%	0.732	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.7	169.3	-66.4	173.2	72.2	176.9	3.5	112.7	Q201 N202 W203	Q201-R205 WeakPolarHBondContact O-CG 3.34Å; Q201-R205 PolarHBondContact O-N 3.15Å; N202-R205 WeakPolarHBondContact O-CB 3.29Å; N202-R205 PolarHBondContact O-N 2.85Å; W203-R205 PolarHBondContact O-N 3.44Å
206	F	98.9	Very high	98.8	Very high	55 Å²	55	44.9 Å²	44.9	24%	0.241	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-34	-173.2	-62.2	-84.7	0	0	0	112.6	P130 E131 H134 N202 W203 L204	P130-F206 HydrophobicContact CB-CD2 3.51Å; P130-F206 HydrophobicContact CB-CE2 4.02Å; P130-F206 HydrophobicContact CB-CG 4.25Å; E131-F206 HydrophobicContact CB-CD1 4.38Å; E131-F206 HydrophobicContact CB-CE1 3.66Å; E131-F206 HydrophobicContact CB-CE2 4.2Å; E131-F206 HydrophobicContact CB-CZ 3.55Å; E131-F206 HydrophobicContact CG-CE1 3.79Å; E131-F206 HydrophobicContact CG-CZ 4.04Å; H134-F206 HydrophobicContact CB-CB 3.96Å; H134-F206 HydrophobicContact CB-CD1 4.08Å; H134-F206 HydrophobicContact CB-CG 4.33Å; H134-F206 PolarHBondContact CD2-O 3.43Å; N202-F206 WeakPolarHBondContact O-CD2 3.49Å; W203-F206 PolarHBondContact O-N 2.87Å; L204-F206 PolarHBondContact O-N 3.11Å
207	F	98.9	Very high	98.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	21%	0.205	C	C	.	.	S	Bend	trans	-118.8	134.4	-176.2	-60.8	-78.2	0	0	0	111.3	P130 V133 H134 I140 L142 W203 L204 I212	P130-F207 WeakPolarHBondContact O-CE2 3.05Å; V133-F207 HydrophobicContact CB-CE2 4.35Å; V133-F207 HydrophobicContact CB-CZ 4.05Å; V133-F207 HydrophobicContact CG1-CE2 4.32Å; V133-F207 HydrophobicContact CG1-CZ 3.73Å; H134-F207 HydrophobicContact CB-CE1 4.23Å; H134-F207 HydrophobicContact CB-CE2 4.11Å; H134-F207 HydrophobicContact CB-CZ 3.66Å; I140-F207 HydrophobicContact CG2-CD1 4.47Å; I140-F207 HydrophobicContact CG2-CE1 3.72Å; I140-F207 HydrophobicContact CG2-CZ 4.18Å; L142-F207 HydrophobicContact CD1-CB 4.36Å; L142-F207 HydrophobicContact CD1-CD1 4.19Å; L142-F207 HydrophobicContact CD1-CD2 3.72Å; L142-F207 HydrophobicContact CD1-CE1 4.45Å; L142-F207 HydrophobicContact CD1-CE2 3.98Å; L142-F207 HydrophobicContact CD1-CG 3.81Å; L142-F207 HydrophobicContact CD1-CZ 4.33Å; W203-F207 AromaticContact CE3-CD2 3.87Å; W203-F207 HydrophobicContact CE3-CD2 3.87Å; W203-F207 AromaticContact CE3-CE2 3.97Å; W203-F207 HydrophobicContact CE3-CE2 3.97Å; W203-F207 HydrophobicContact CZ3-CD2 4.35Å; W203-F207 HydrophobicContact CZ3-CE2 4.02Å; W203-F207 PolarHBondContact O-N 3.13Å; L204-F207 WeakPolarHBondContact CA-O 3.33Å; F207-I212 HydrophobicContact CB-CD1 4.18Å; F207-I212 HydrophobicContact CB-CG1 4.3Å
208	P	98.6	Very high	98.8	Very high	51 Å²	51	44.2 Å²	44.2	33%	0.331	20%	0.203	S	C	.	.			trans	-66.6	144.6	172.7	31.3	-35.4	0	0	0	109.6	R210 H211	P208-R210 HydrophobicContact CB-CG 4.08Å; P208-R210 HydrophobicContact CG-CG 4.16Å; P208-R210 PolarHBondContact O-N 2.59Å; P208-H211 HydrophobicContact CG-CB 4.18Å; P208-H211 PolarHBondContact O-N 2.83Å
209	L	98.8	Very high	98.8	Very high	64 Å²	64	47.6 Å²	47.6	34%	0.335	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-51.1	-36.4	-177.9	-179.9	62.4	0	0	0	113	M200 L204 H211 I212 V300	M200-L209 HydrophobicContact CE-CD1 3.43Å; M200-L209 VanDerWaalsContact CE-CD1 3.43Å; L204-L209 HydrophobicContact CD2-CB 3.85Å; L204-L209 HydrophobicContact CD2-CD1 4.16Å; L209-H211 PolarHBondContact O-N 3.01Å; L209-H211 VanDerWaalsContact O-N 3.11Å; L209-I212 PolarHBondContact O-N 2.89Å; L209-I212 VanDerWaalsContact O-O 3.09Å; L209-V300 HydrophobicContact CD1-CB 4.27Å; L209-V300 HydrophobicContact CD1-CG1 4.25Å
210	R	98.5	Very high	98.8	Very high	195 Å²	195	47.1 Å²	47.1	74%	0.736	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-62.2	-14.9	176.9	64.3	172.6	-178.6	-123.9	-0.8	115.2	P208 F234	P208-R210 HydrophobicContact CB-CG 4.08Å; P208-R210 HydrophobicContact CG-CG 4.16Å; P208-R210 PolarHBondContact O-N 2.59Å; R210-F234 WeakPolarHBondContact O-CE2 3.48Å
211	H	98.8	Very high	98.7	Very high	34 Å²	34	50 Å²	50	16%	0.157	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.9	0.1	174.1	-70.2	-172.2	0	0	0	112.4	L142 P208 L209 F234	L142-H211 PolarHBondContact N-O 3Å; P208-H211 HydrophobicContact CG-CB 4.18Å; P208-H211 PolarHBondContact O-N 2.83Å; L209-H211 PolarHBondContact O-N 3.01Å; L209-H211 VanDerWaalsContact O-N 3.11Å; H211-F234 WeakPolarHBondContact O-CZ 3.26Å
212	I	98.9	Very high	98.7	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106.6	176.6	-48.3	-178.4	0	0	0	108.5	L142 L144 M200 W203 L204 F207 L209	L142-I212 HydrophobicContact CB-CG1 4.26Å; L142-I212 HydrophobicContact CB-CG2 4.36Å; L142-I212 HydrophobicContact CD1-CD1 4.39Å; L142-I212 HydrophobicContact CD1-CG1 4.08Å; L142-I212 CarbonylContact O-C 3.36Å; L142-I212 WeakPolarHBondContact O-CA 2.99Å; L144-I212 HydrophobicContact CB-CG2 4.07Å; M200-I212 HydrophobicContact CE-CB 4.2Å; M200-I212 HydrophobicContact CE-CD1 3.86Å; M200-I212 HydrophobicContact CE-CG2 4.09Å; M200-I212 HydrophobicContact SD-CD1 4.33Å; W203-I212 HydrophobicContact CB-CD1 3.95Å; L204-I212 HydrophobicContact CD2-CD1 4.36Å; F207-I212 HydrophobicContact CB-CD1 4.18Å; F207-I212 HydrophobicContact CB-CG1 4.3Å; L209-I212 PolarHBondContact O-N 2.89Å; L209-I212 VanDerWaalsContact O-O 3.09Å
213	H	98.9	Very high	98.7	Very high	32 Å²	32	54.1 Å²	54.1	15%	0.148	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.1	174.3	-179.5	70.6	0	0	0	110.8	L142 L143 L144 F234	L142-H213 PolarHBondContact O-N 3.35Å; L143-H213 HydrophobicContact CD2-CB 4.02Å; L144-H213 PolarHBondContact N-O 3.33Å; H213-F234 HydrophobicContact CB-CB 4.13Å; H213-F234 HydrophobicContact CB-CD1 3.37Å; H213-F234 HydrophobicContact CB-CD2 3.61Å; H213-F234 HydrophobicContact CB-CE1 3.49Å; H213-F234 VanDerWaalsContact CB-CE1 3.49Å; H213-F234 HydrophobicContact CB-CE2 3.74Å; H213-F234 HydrophobicContact CB-CG 3.41Å; H213-F234 VanDerWaalsContact CB-CG 3.41Å; H213-F234 HydrophobicContact CB-CZ 3.68Å; H213-F234 AromaticContact CG-CG 3.79Å
214	I	98.9	Very high	98.6	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.4	-179.2	-50.9	166.5	0	0	0	109.1	L144 L146 M200 F296 V300 R302 F304	L144-I214 HydrophobicContact CD2-CG1 4.44Å; L144-I214 CarbonylContact O-C 3.37Å; L144-I214 WeakPolarHBondContact O-CA 3.1Å; L146-I214 HydrophobicContact CD1-CG2 3.88Å; L146-I214 HydrophobicContact CG-CG2 4.17Å; M200-I214 HydrophobicContact CE-CD1 4.32Å; I214-F296 HydrophobicContact CD1-CZ 3.98Å; I214-V300 HydrophobicContact CD1-CB 3.73Å; I214-V300 HydrophobicContact CD1-CG1 3.68Å; I214-V300 HydrophobicContact CD1-CG2 3.99Å; I214-R302 PolarHBondContact O-NH1 3.06Å; I214-F304 HydrophobicContact CB-CZ 4.26Å; I214-F304 HydrophobicContact CG2-CE1 4.18Å; I214-F304 HydrophobicContact CG2-CE2 4.4Å; I214-F304 HydrophobicContact CG2-CZ 3.55Å
215	V	98.9	Very high	98.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.2	174.5	-178.4	0	0	0	0	108.8	L70 L144 I145 L146 G217 E227 V231	L70-V215 HydrophobicContact CD1-CG1 4.49Å; L70-V215 HydrophobicContact CD1-CG2 4.25Å; L70-V215 HydrophobicContact CD2-CG2 3.99Å; L144-V215 PolarHBondContact O-N 3.31Å; I145-V215 WeakPolarHBondContact CA-O 3.4Å; I145-V215 HydrophobicContact CB-CB 3.96Å; I145-V215 HydrophobicContact CB-CG1 4.41Å; I145-V215 HydrophobicContact CD1-CG1 4.1Å; I145-V215 HydrophobicContact CG1-CB 4.04Å; I145-V215 HydrophobicContact CG1-CG1 4.02Å; L146-V215 PolarHBondContact N-O 3.38Å; L146-V215 VanDerWaalsContact N-O 3.11Å; V215-G217 PolarHBondContact O-N 3.3Å; V215-E227 HydrophobicContact CG1-CB 4.3Å; V215-V231 HydrophobicContact CG2-CG2 3.62Å
216	D	98.9	Very high	98.6	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	102	173.7	-175.1	-29.8	0	0	0	108.9	D218 R219 L220 E227 R302 F304	D216-D218 VanDerWaalsContact C-N 3.29Å; D216-D218 PolarHBondContact O-N 2.97Å; D216-D218 PolarHBondContact OD1-N 3.28Å; D216-D218 VanDerWaalsContact OD1-N 3.13Å; D216-R219 HydrophobicContact CB-CB 3.95Å; D216-R219 HydrophobicContact CB-CG 4.16Å; D216-R219 VanDerWaalsContact CG-CG 3.48Å; D216-R219 PolarHBondContact O-N 2.82Å; D216-R219 PolarHBondContact OD1-N 3.17Å; D216-R219 VanDerWaalsContact OD2-CD 3.27Å; D216-R219 WeakPolarHBondContact OD2-CD 3.39Å; D216-R219 WeakPolarHBondContact OD2-CG 3.34Å; D216-R219 IonicContact OD2-NE 3.65Å; D216-R219 PolarHBondContact OD2-NE 3.47Å; D216-L220 WeakPolarHBondContact O-CB 3.41Å; D216-L220 PolarHBondContact O-N 2.94Å; D216-E227 PolarHBondContact N-OE2 3.42Å; D216-R302 IonicContact OD2-NH2 3.45Å; D216-F304 HydrophobicContact CB-CD1 4.12Å; D216-F304 HydrophobicContact CB-CE1 3.94Å
217	G	98.8	Very high	98.6	Very high	1 Å²	1	44 Å²	44	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-26.8	-177.3	0	0	0	0	0	113.3	L146 V215 L220 I221	L146-G217 WeakPolarHBondContact O-CA 3.48Å; L146-G217 PolarHBondContact O-N 3.3Å; V215-G217 PolarHBondContact O-N 3.3Å; G217-L220 PolarHBondContact O-N 3.06Å; G217-I221 WeakPolarHBondContact O-CD1 3.33Å; G217-I221 VanDerWaalsContact O-CG1 3.3Å; G217-I221 WeakPolarHBondContact O-CG1 3.42Å; G217-I221 PolarHBondContact O-N 3.18Å; G217-I221 VanDerWaalsContact O-N 3.08Å
218	D	98.6	Very high	98.6	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-74.5	-39	176.7	-56.4	-38.1	0	0	0	110	R147 D148 D216 I221 R222 W306	R147-D218 VanDerWaalsContact CB-OD1 3.3Å; R147-D218 WeakPolarHBondContact CB-OD1 3.35Å; R147-D218 VanDerWaalsContact CG-OD1 3.3Å; R147-D218 WeakPolarHBondContact CG-OD1 3.46Å; R147-D218 IonicContact NE-OD1 3.72Å; R147-D218 PolarHBondContact NE-OD1 2.98Å; D148-D218 PolarHBondContact N-OD1 2.69Å; D148-D218 PolarHBondContact N-OD2 3.43Å; D216-D218 VanDerWaalsContact C-N 3.29Å; D216-D218 PolarHBondContact O-N 2.97Å; D216-D218 PolarHBondContact OD1-N 3.28Å; D216-D218 VanDerWaalsContact OD1-N 3.13Å; D218-I221 PolarHBondContact O-N 3.19Å; D218-R222 WeakPolarHBondContact O-CG 3.28Å; D218-R222 PolarHBondContact O-N 3.05Å; D218-R222 PolarHBondContact O-NE 3.38Å; D218-W306 PolarHBondContact OD2-NE1 2.65Å
219	R	98.6	Very high	98.6	Very high	132 Å²	132	45 Å²	45	50%	0.498	20%	0.201	S	C	.	.	H	α-helix	trans	-64.6	-42.6	167.2	-73	-177.1	178.3	-125	-2.4	112.1	D216 I221 R222 D223 E227	D216-R219 HydrophobicContact CB-CB 3.95Å; D216-R219 HydrophobicContact CB-CG 4.16Å; D216-R219 VanDerWaalsContact CG-CG 3.48Å; D216-R219 PolarHBondContact O-N 2.82Å; D216-R219 PolarHBondContact OD1-N 3.17Å; D216-R219 VanDerWaalsContact OD2-CD 3.27Å; D216-R219 WeakPolarHBondContact OD2-CD 3.39Å; D216-R219 WeakPolarHBondContact OD2-CG 3.34Å; D216-R219 IonicContact OD2-NE 3.65Å; D216-R219 PolarHBondContact OD2-NE 3.47Å; R219-I221 PolarHBondContact O-N 3.28Å; R219-R222 PolarHBondContact O-N 3.25Å; R219-D223 CarbonylContact O-C 3.47Å; R219-D223 PolarHBondContact O-N 3.04Å; R219-D223 VanDerWaalsContact O-O 3.14Å; R219-E227 HydrophobicContact CB-CG 3.79Å
220	L	98.6	Very high	98.6	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-33.5	178.9	-166.6	77.9	0	0	0	112.1	A69 L70 M73 I145 D216 G217 P224 E227 I228	A69-L220 HydrophobicContact CB-CD2 4.3Å; L70-L220 HydrophobicContact CB-CD2 4.35Å; M73-L220 HydrophobicContact SD-CD1 3.85Å; M73-L220 HydrophobicContact SD-CD2 4.13Å; M73-L220 HydrophobicContact SD-CG 4.03Å; I145-L220 HydrophobicContact CD1-CD2 3.45Å; I145-L220 VanDerWaalsContact CD1-CD2 3.45Å; D216-L220 WeakPolarHBondContact O-CB 3.41Å; D216-L220 PolarHBondContact O-N 2.94Å; G217-L220 PolarHBondContact O-N 3.06Å; L220-P224 HydrophobicContact CD1-CB 4.12Å; L220-P224 HydrophobicContact CG-CB 4.48Å; L220-P224 WeakPolarHBondContact O-CA 3.33Å; L220-P224 WeakPolarHBondContact O-CB 3.35Å; L220-E227 HydrophobicContact CD1-CB 3.8Å; L220-I228 HydrophobicContact CD1-CD1 4.01Å; L220-I228 HydrophobicContact CD1-CG1 4.1Å
221	I	97.9	Very high	98.7	Very high	62 Å²	62	36.1 Å²	36.1	32%	0.318	17%	0.165	S	C	.	.	H	α-helix	trans	-69.1	-42.7	174.4	-71.9	164.2	0	0	0	111.6	G217 D218 R219 F254	G217-I221 WeakPolarHBondContact O-CD1 3.33Å; G217-I221 VanDerWaalsContact O-CG1 3.3Å; G217-I221 WeakPolarHBondContact O-CG1 3.42Å; G217-I221 PolarHBondContact O-N 3.18Å; G217-I221 VanDerWaalsContact O-N 3.08Å; D218-I221 PolarHBondContact O-N 3.19Å; R219-I221 PolarHBondContact O-N 3.28Å; I221-F254 HydrophobicContact CG1-CE1 4.37Å; I221-F254 HydrophobicContact CG2-CD1 4.04Å; I221-F254 HydrophobicContact CG2-CE1 3.84Å
222	R	97.9	Very high	98.7	Very high	139 Å²	139	34.7 Å²	34.7	53%	0.525	16%	0.158	S	C	.	.	H	α-helix	trans	-81.7	-38.8	-173.9	-69.6	-174.7	-67.4	-102.4	0.9	114	D218 R219 Y255	D218-R222 WeakPolarHBondContact O-CG 3.28Å; D218-R222 PolarHBondContact O-N 3.05Å; D218-R222 PolarHBondContact O-NE 3.38Å; R219-R222 PolarHBondContact O-N 3.25Å; R222-Y255 VanDerWaalsContact O-CE2 3.23Å; R222-Y255 WeakPolarHBondContact O-CE2 3.32Å
223	D	97.9	Very high	98.7	Very high	81 Å²	81	43.8 Å²	43.8	43%	0.433	19%	0.192	S	C	.	.			trans	-154.8	89.8	-177.7	-174.9	9.1	0	0	0	109.2	R219 P226	R219-D223 CarbonylContact O-C 3.47Å; R219-D223 PolarHBondContact O-N 3.04Å; R219-D223 VanDerWaalsContact O-O 3.14Å; D223-P226 VanDerWaalsContact CG-CD 3.46Å; D223-P226 WeakPolarHBondContact OD1-CD 3.32Å; D223-P226 WeakPolarHBondContact OD2-CG 3.36Å
224	P	98.6	Very high	98.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-70.5	-34.7	-169.8	24.8	-33.7	0	0	0	113.7	M73 L220 E227 I228 F246 Y255	M73-P224 HydrophobicContact CE-CB 3.7Å; M73-P224 HydrophobicContact CE-CG 4.33Å; M73-P224 HydrophobicContact SD-CB 3.9Å; L220-P224 HydrophobicContact CD1-CB 4.12Å; L220-P224 HydrophobicContact CG-CB 4.48Å; L220-P224 WeakPolarHBondContact O-CA 3.33Å; L220-P224 WeakPolarHBondContact O-CB 3.35Å; P224-E227 PolarHBondContact O-N 3.41Å; P224-I228 WeakPolarHBondContact O-CG1 3.45Å; P224-I228 PolarHBondContact O-N 3.08Å; P224-F246 HydrophobicContact CB-CD1 3.94Å; P224-F246 HydrophobicContact CB-CE1 3.97Å; P224-F246 HydrophobicContact CG-CB 4.11Å; P224-F246 HydrophobicContact CG-CD1 3.55Å; P224-F246 HydrophobicContact CG-CE1 4.1Å; P224-F246 HydrophobicContact CG-CG 3.84Å; P224-Y255 HydrophobicContact CG-CD1 4.03Å; P224-Y255 HydrophobicContact CG-CD2 4.01Å; P224-Y255 HydrophobicContact CG-CG 3.75Å
225	F	98.7	Very high	98.6	Very high	39 Å²	39	43.3 Å²	43.3	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-47.5	-167.9	174.1	-121.9	0	0	0	113	E227 I228 Q229 I241 A243 F246	F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 2.91Å; F225-I228 PolarHBondContact O-N 2.88Å; F225-I228 VanDerWaalsContact O-N 3.14Å; F225-Q229 HydrophobicContact CD2-CG 4.05Å; F225-Q229 HydrophobicContact CE1-CG 4.3Å; F225-Q229 HydrophobicContact CE2-CG 3.56Å; F225-Q229 HydrophobicContact CZ-CG 3.73Å; F225-Q229 VanDerWaalsContact CZ-NE2 3.28Å; F225-Q229 WeakPolarHBondContact O-CG 3.47Å; F225-Q229 PolarHBondContact O-N 2.98Å; F225-I241 HydrophobicContact CD2-CG2 4.48Å; F225-I241 VanDerWaalsContact CE2-O 3.26Å; F225-I241 WeakPolarHBondContact CE2-O 3.34Å; F225-A243 HydrophobicContact CD1-CB 3.79Å; F225-A243 HydrophobicContact CE1-CB 4.04Å; F225-A243 HydrophobicContact CG-CB 4.18Å; F225-F246 HydrophobicContact CB-CD2 3.94Å; F225-F246 HydrophobicContact CB-CE2 3.92Å; F225-F246 HydrophobicContact CD2-CD2 4.45Å; F225-F246 AromaticContact CD2-CE2 3.87Å; F225-F246 HydrophobicContact CD2-CE2 3.87Å; F225-F246 HydrophobicContact CG-CE2 4.33Å
226	P	98.8	Very high	98.6	Very high	44 Å²	44	51.2 Å²	51.2	29%	0.286	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-32.5	178	-25.8	36.3	0	0	0	114.7	D223 K230	D223-P226 VanDerWaalsContact CG-CD 3.46Å; D223-P226 WeakPolarHBondContact OD1-CD 3.32Å; D223-P226 WeakPolarHBondContact OD2-CG 3.36Å; P226-K230 WeakPolarHBondContact O-CG 3.38Å; P226-K230 PolarHBondContact O-N 3.41Å
227	E	98.8	Very high	98.6	Very high	2 Å²	2	52 Å²	52	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-71.6	-39	175.1	-71.7	-60.6	118.9	0	0	111	V215 D216 R219 L220 P224 F225 Q229 K230 V231	V215-E227 HydrophobicContact CG1-CB 4.3Å; D216-E227 PolarHBondContact N-OE2 3.42Å; R219-E227 HydrophobicContact CB-CG 3.79Å; L220-E227 HydrophobicContact CD1-CB 3.8Å; P224-E227 PolarHBondContact O-N 3.41Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 2.91Å; E227-Q229 PolarHBondContact O-N 2.95Å; E227-K230 WeakPolarHBondContact O-CB 3.36Å; E227-K230 PolarHBondContact O-N 3.14Å; E227-K230 VanDerWaalsContact O-N 3.17Å; E227-K230 IonicContact OE1-NZ 2.76Å; E227-K230 PolarHBondContact OE1-NZ 3.24Å; E227-V231 WeakPolarHBondContact O-CG2 3.42Å; E227-V231 PolarHBondContact O-N 2.93Å; E227-V231 VanDerWaalsContact O-N 3.14Å
228	I	98.8	Very high	98.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-37.9	176.1	-64.6	-61	0	0	0	112	L70 M73 L220 P224 F225 K230 V231 E232 I241 F246	L70-I228 HydrophobicContact CD1-CD1 3.9Å; M73-I228 HydrophobicContact CB-CD1 3.56Å; M73-I228 HydrophobicContact CB-CG1 4.02Å; M73-I228 HydrophobicContact CG-CD1 4.48Å; M73-I228 HydrophobicContact SD-CD1 4.2Å; M73-I228 HydrophobicContact SD-CG1 4.3Å; L220-I228 HydrophobicContact CD1-CD1 4.01Å; L220-I228 HydrophobicContact CD1-CG1 4.1Å; P224-I228 WeakPolarHBondContact O-CG1 3.45Å; P224-I228 PolarHBondContact O-N 3.08Å; F225-I228 PolarHBondContact O-N 2.88Å; F225-I228 VanDerWaalsContact O-N 3.14Å; I228-K230 PolarHBondContact O-N 3.07Å; I228-V231 CarbonylContact O-C 3.56Å; I228-V231 WeakPolarHBondContact O-CA 3.45Å; I228-V231 WeakPolarHBondContact O-CB 3.45Å; I228-V231 PolarHBondContact O-N 2.82Å; I228-E232 PolarHBondContact O-N 3.45Å; I228-I241 HydrophobicContact CG2-CB 4.2Å; I228-I241 HydrophobicContact CG2-CD1 3.45Å; I228-I241 VanDerWaalsContact CG2-CD1 3.45Å; I228-I241 HydrophobicContact CG2-CG1 4.41Å; I228-I241 HydrophobicContact CG2-CG2 3.98Å; I228-F246 HydrophobicContact CG1-CZ 4.14Å
229	Q	98.8	Very high	98.6	Very high	76 Å²	76	58.4 Å²	58.4	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-34.6	173.5	-69.5	-175.6	-62.7	0	0	112.8	F225 E227 V231 R233	F225-Q229 HydrophobicContact CD2-CG 4.05Å; F225-Q229 HydrophobicContact CE1-CG 4.3Å; F225-Q229 HydrophobicContact CE2-CG 3.56Å; F225-Q229 HydrophobicContact CZ-CG 3.73Å; F225-Q229 VanDerWaalsContact CZ-NE2 3.28Å; F225-Q229 WeakPolarHBondContact O-CG 3.47Å; F225-Q229 PolarHBondContact O-N 2.98Å; E227-Q229 PolarHBondContact O-N 2.95Å; Q229-V231 VanDerWaalsContact C-N 3.34Å; Q229-R233 WeakPolarHBondContact O-CB 3.37Å; Q229-R233 PolarHBondContact O-N 2.97Å; Q229-R233 VanDerWaalsContact O-N 3.08Å
230	K	98.9	Very high	98.5	Very high	72 Å²	72	56.9 Å²	56.9	31%	0.313	27%	0.269	S	S	.	.	H	α-helix	trans	-68.3	-37.6	174.6	-64.5	168.9	-170.4	176.1	0	111.1	P226 E227 I228 F234	P226-K230 WeakPolarHBondContact O-CG 3.38Å; P226-K230 PolarHBondContact O-N 3.41Å; E227-K230 WeakPolarHBondContact O-CB 3.36Å; E227-K230 PolarHBondContact O-N 3.14Å; E227-K230 VanDerWaalsContact O-N 3.17Å; E227-K230 IonicContact OE1-NZ 2.76Å; E227-K230 PolarHBondContact OE1-NZ 3.24Å; I228-K230 PolarHBondContact O-N 3.07Å; K230-F234 VanDerWaalsContact O-CB 3.3Å; K230-F234 WeakPolarHBondContact O-CB 3.41Å; K230-F234 PolarHBondContact O-N 3.35Å
231	V	98.9	Very high	98.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-47.5	175.2	176.2	0	0	0	0	110.8	L70 L74 L143 V215 E227 I228 Q229 R233 F234 L235	L70-V231 HydrophobicContact CD1-CG2 4.03Å; L74-V231 HydrophobicContact CD1-CG1 3.85Å; L74-V231 HydrophobicContact CD2-CG1 4.17Å; L143-V231 HydrophobicContact CD1-CG1 3.97Å; L143-V231 HydrophobicContact CD2-CG1 4Å; L143-V231 HydrophobicContact CD2-CG2 4.42Å; V215-V231 HydrophobicContact CG2-CG2 3.62Å; E227-V231 WeakPolarHBondContact O-CG2 3.42Å; E227-V231 PolarHBondContact O-N 2.93Å; E227-V231 VanDerWaalsContact O-N 3.14Å; I228-V231 CarbonylContact O-C 3.56Å; I228-V231 WeakPolarHBondContact O-CA 3.45Å; I228-V231 WeakPolarHBondContact O-CB 3.45Å; I228-V231 PolarHBondContact O-N 2.82Å; Q229-V231 VanDerWaalsContact C-N 3.34Å; V231-R233 VanDerWaalsContact C-N 3.35Å; V231-R233 PolarHBondContact O-N 2.91Å; V231-F234 PolarHBondContact O-N 3.38Å; V231-L235 HydrophobicContact CG1-CD1 3.98Å; V231-L235 HydrophobicContact CG1-CG 4.4Å; V231-L235 WeakPolarHBondContact O-CG 3.44Å; V231-L235 PolarHBondContact O-N 3.41Å
232	E	98.8	Very high	98.5	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-55.4	-50.1	175.2	-71.5	176.4	130.9	0	0	110.9	H77 I228 F234 L235 K236 L237 Q240 I241	H77-E232 IonicContact CD2-OE1 3.63Å; H77-E232 PolarHBondContact CD2-OE1 3.23Å; I228-E232 PolarHBondContact O-N 3.45Å; E232-F234 VanDerWaalsContact C-N 3.34Å; E232-F234 PolarHBondContact O-N 3.25Å; E232-L235 CarbonylContact O-C 3.51Å; E232-L235 PolarHBondContact O-N 3.1Å; E232-L235 VanDerWaalsContact O-N 3.17Å; E232-K236 PolarHBondContact O-N 2.87Å; E232-L237 HydrophobicContact CB-CB 4.25Å; E232-L237 PolarHBondContact O-N 2.95Å; E232-Q240 PolarHBondContact OE1-N 2.86Å; E232-I241 WeakPolarHBondContact OE1-CB 3.2Å; E232-I241 WeakPolarHBondContact OE1-CG1 3.42Å; E232-I241 PolarHBondContact OE1-N 3.44Å
233	R	98.8	Very high	98.5	Very high	198 Å²	198	53.8 Å²	53.8	75%	0.747	27%	0.272	S	S	*	.	H	α-helix	trans	-60.3	-42.4	177.3	178.6	171.2	-72.8	127.2	-0.7	112.2	Q229 V231 L235 K236	Q229-R233 WeakPolarHBondContact O-CB 3.37Å; Q229-R233 PolarHBondContact O-N 2.97Å; Q229-R233 VanDerWaalsContact O-N 3.08Å; V231-R233 VanDerWaalsContact C-N 3.35Å; V231-R233 PolarHBondContact O-N 2.91Å; R233-L235 VanDerWaalsContact C-N 3.33Å; R233-K236 PolarHBondContact O-N 3.34Å
234	F	98.9	Very high	98.5	Very high	24 Å²	24	53.9 Å²	53.9	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-38.4	177.3	171.4	-106.3	0	0	0	111.9	R141 L143 R210 H211 H213 K230 V231 E232 K236	R141-F234 HydrophobicContact CB-CE1 3.69Å; R141-F234 HydrophobicContact CB-CZ 3.74Å; R141-F234 WeakPolarHBondContact CD-O 3.41Å; R141-F234 HydrophobicContact CG-CE1 4.22Å; R141-F234 HydrophobicContact CG-CZ 3.94Å; R141-F234 PolarHBondContact NH1-O 3.01Å; L143-F234 HydrophobicContact CD2-CD1 3.76Å; L143-F234 HydrophobicContact CD2-CE1 3.92Å; R210-F234 WeakPolarHBondContact O-CE2 3.48Å; H211-F234 WeakPolarHBondContact O-CZ 3.26Å; H213-F234 HydrophobicContact CB-CB 4.13Å; H213-F234 HydrophobicContact CB-CD1 3.37Å; H213-F234 HydrophobicContact CB-CD2 3.61Å; H213-F234 HydrophobicContact CB-CE1 3.49Å; H213-F234 VanDerWaalsContact CB-CE1 3.49Å; H213-F234 HydrophobicContact CB-CE2 3.74Å; H213-F234 HydrophobicContact CB-CG 3.41Å; H213-F234 VanDerWaalsContact CB-CG 3.41Å; H213-F234 HydrophobicContact CB-CZ 3.68Å; H213-F234 AromaticContact CG-CG 3.79Å; K230-F234 VanDerWaalsContact O-CB 3.3Å; K230-F234 WeakPolarHBondContact O-CB 3.41Å; K230-F234 PolarHBondContact O-N 3.35Å; V231-F234 PolarHBondContact O-N 3.38Å; E232-F234 VanDerWaalsContact C-N 3.34Å; E232-F234 PolarHBondContact O-N 3.25Å; F234-K236 VanDerWaalsContact C-N 3.25Å; F234-K236 PolarHBondContact O-N 2.91Å
235	L	98.7	Very high	98.5	Very high	12 Å²	12	54.9 Å²	54.9	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-82.8	-1.8	177.6	-63.9	-179.2	0	0	0	113.5	T57 L74 L115 R141 L143 V231 E232 R233 L237	T57-L235 HydrophobicContact CG2-CD1 4.06Å; T57-L235 HydrophobicContact CG2-CD2 3.97Å; L74-L235 HydrophobicContact CD1-CD1 4.13Å; L74-L235 HydrophobicContact CD2-CD1 3.81Å; L115-L235 HydrophobicContact CD1-CB 4.06Å; R141-L235 HydrophobicContact CB-CD2 4.13Å; L143-L235 HydrophobicContact CD1-CD1 4.33Å; V231-L235 HydrophobicContact CG1-CD1 3.98Å; V231-L235 HydrophobicContact CG1-CG 4.4Å; V231-L235 WeakPolarHBondContact O-CG 3.44Å; V231-L235 PolarHBondContact O-N 3.41Å; E232-L235 CarbonylContact O-C 3.51Å; E232-L235 PolarHBondContact O-N 3.1Å; E232-L235 VanDerWaalsContact O-N 3.17Å; R233-L235 VanDerWaalsContact C-N 3.33Å; L235-L237 HydrophobicContact CB-CD1 4.1Å; L235-L237 HydrophobicContact CB-CG 4.03Å; L235-L237 HydrophobicContact CD1-CD1 4.2Å; L235-L237 PolarHBondContact O-N 2.84Å
236	K	98.6	Very high	98.4	Very high	166 Å²	166	53.9 Å²	53.9	72%	0.722	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	31	-174.3	-52.4	-179.2	174.1	-178.5	0	113	E232 R233 F234	E232-K236 PolarHBondContact O-N 2.87Å; R233-K236 PolarHBondContact O-N 3.34Å; F234-K236 VanDerWaalsContact C-N 3.25Å; F234-K236 PolarHBondContact O-N 2.91Å
237	L	98.6	Very high	98.4	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.12	28%	0.276	C	S	.	.			trans	-79.2	152.5	171	-69	173	0	0	0	110.1	L74 D79 V80 L115 E232 L235	L74-L237 HydrophobicContact CD1-CD1 4.17Å; D79-L237 HydrophobicContact CB-CD2 4.07Å; V80-L237 HydrophobicContact CG2-CD1 3.62Å; L115-L237 HydrophobicContact CD1-CD1 4.18Å; L115-L237 HydrophobicContact CD1-CD2 3.61Å; L115-L237 HydrophobicContact CD1-CG 3.87Å; L115-L237 HydrophobicContact CG-CD2 4.18Å; E232-L237 HydrophobicContact CB-CB 4.25Å; E232-L237 PolarHBondContact O-N 2.95Å; L235-L237 HydrophobicContact CB-CD1 4.1Å; L235-L237 HydrophobicContact CB-CG 4.03Å; L235-L237 HydrophobicContact CD1-CD1 4.2Å; L235-L237 PolarHBondContact O-N 2.84Å
238	S	98.3	Very high	98.3	Very high	46 Å²	46	59.1 Å²	59.1	32%	0.322	30%	0.297	S	S	.	.			trans	-68.4	152.2	169.7	67.9	0	0	0	0	110.3	H77 Q240	H77-S238 PolarHBondContact CD2-O 2.97Å; H77-S238 PolarHBondContact NE2-O 2.83Å; S238-Q240 VanDerWaalsContact C-N 3.3Å; S238-Q240 PolarHBondContact O-N 3.15Å; S238-Q240 VanDerWaalsContact OG-CG 3.23Å; S238-Q240 WeakPolarHBondContact OG-CG 3.11Å; S238-Q240 PolarHBondContact OG-NE2 3.23Å
239	P	98.1	Very high	98.3	Very high	99 Å²	99	61.1 Å²	61.1	64%	0.643	31%	0.308	S	S	*	.	S	Bend	trans	-78.5	77.6	-177.7	32	-35.1	0	0	0	111
240	Q	98.2	Very high	98.1	Very high	99 Å²	99	66.4 Å²	66.4	46%	0.463	33%	0.33	S	S	.	.			trans	-95.8	-25	-178	-61.5	-64.4	-22.3	0	0	112.9	H77 P78 E232 S238 N242	H77-Q240 WeakPolarHBondContact NE2-CG 3.47Å; P78-Q240 HydrophobicContact CG-CB 4.23Å; P78-Q240 HydrophobicContact CG-CG 4.05Å; E232-Q240 PolarHBondContact OE1-N 2.86Å; S238-Q240 VanDerWaalsContact C-N 3.3Å; S238-Q240 PolarHBondContact O-N 3.15Å; S238-Q240 VanDerWaalsContact OG-CG 3.23Å; S238-Q240 WeakPolarHBondContact OG-CG 3.11Å; S238-Q240 PolarHBondContact OG-NE2 3.23Å; Q240-N242 PolarHBondContact O-OD1 2.83Å
241	I	98.2	Very high	97.9	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.015	36%	0.356	C	S	.	.			trans	-74.5	138.8	174.1	-60.8	172.7	0	0	0	108.2	M73 L76 H77 F225 I228 E232 F246	M73-I241 WeakPolarHBondContact O-CD1 3.34Å; L76-I241 HydrophobicContact CB-CD1 4.16Å; L76-I241 HydrophobicContact CB-CG1 4.06Å; H77-I241 HydrophobicContact CB-CD1 3.99Å; H77-I241 HydrophobicContact CB-CG1 4.11Å; F225-I241 HydrophobicContact CD2-CG2 4.48Å; F225-I241 VanDerWaalsContact CE2-O 3.26Å; F225-I241 WeakPolarHBondContact CE2-O 3.34Å; I228-I241 HydrophobicContact CG2-CB 4.2Å; I228-I241 HydrophobicContact CG2-CD1 3.45Å; I228-I241 VanDerWaalsContact CG2-CD1 3.45Å; I228-I241 HydrophobicContact CG2-CG1 4.41Å; I228-I241 HydrophobicContact CG2-CG2 3.98Å; E232-I241 WeakPolarHBondContact OE1-CB 3.2Å; E232-I241 WeakPolarHBondContact OE1-CG1 3.42Å; E232-I241 PolarHBondContact OE1-N 3.44Å; I241-F246 HydrophobicContact CG2-CE2 3.61Å; I241-F246 HydrophobicContact CG2-CZ 3.74Å
242	N	97.4	Very high	97.6	Very high	83 Å²	83	72.1 Å²	72.1	44%	0.444	37%	0.367	S	S	.	.			trans	-125.6	161.9	-178.7	-49.9	104.4	0	0	0	111.5	Q240 S244 N245 F246	Q240-N242 PolarHBondContact O-OD1 2.83Å; N242-S244 PolarHBondContact O-N 3.39Å; N242-S244 VanDerWaalsContact O-N 3.16Å; N242-N245 PolarHBondContact N-OD1 2.98Å; N242-N245 WeakPolarHBondContact O-CB 3.45Å; N242-N245 PolarHBondContact O-N 2.98Å; N242-N245 PolarHBondContact O-OD1 2.79Å; N242-F246 WeakPolarHBondContact O-CD2 3.33Å; N242-F246 WeakPolarHBondContact O-CE2 3.28Å
243	A	97.8	Very high	97.5	Very high	58 Å²	58	73.7 Å²	73.7	48%	0.479	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-56.5	-31.8	175.3	0	0	0	0	0	113	F225 N245 F246	F225-A243 HydrophobicContact CD1-CB 3.79Å; F225-A243 HydrophobicContact CE1-CB 4.04Å; F225-A243 HydrophobicContact CG-CB 4.18Å; A243-N245 PolarHBondContact O-N 2.61Å; A243-F246 PolarHBondContact O-N 3.5Å; A243-F246 VanDerWaalsContact O-N 3.11Å
244	S	97.3	Very high	97.4	Very high	82 Å²	82	67.3 Å²	67.3	57%	0.573	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-67.8	-16.1	178.3	55.3	0	0	0	0	114	N242 F246	N242-S244 PolarHBondContact O-N 3.39Å; N242-S244 VanDerWaalsContact O-N 3.16Å; S244-F246 PolarHBondContact O-N 3.07Å
245	N	98.4	Very high	97.3	Very high	23 Å²	23	69.2 Å²	69.2	12%	0.123	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-72.6	-8.6	172.2	-62.4	113	0	0	0	112.8	L76 N242 A243 L257 R258	L76-N245 HydrophobicContact CD1-CB 3.87Å; N242-N245 PolarHBondContact N-OD1 2.98Å; N242-N245 WeakPolarHBondContact O-CB 3.45Å; N242-N245 PolarHBondContact O-N 2.98Å; N242-N245 PolarHBondContact O-OD1 2.79Å; A243-N245 PolarHBondContact O-N 2.61Å; N245-L257 CarbonylContact O-C 3.51Å; N245-L257 WeakPolarHBondContact O-CA 3.23Å; N245-R258 VanDerWaalsContact CA-O 3.32Å; N245-R258 WeakPolarHBondContact CA-O 3.47Å; N245-R258 PolarHBondContact ND2-O 2.8Å; N245-R258 PolarHBondContact O-N 3.35Å
246	F	98.4	Very high	97.3	Very high	18 Å²	18	68.7 Å²	68.7	8%	0.079	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.4	-178.2	-51.7	-87.3	0	0	0	110	M73 L76 P224 F225 I228 I241 N242 A243 S244 Y255 C256 L257	M73-F246 HydrophobicContact CB-CE1 4.2Å; M73-F246 HydrophobicContact CE-CD1 4.39Å; M73-F246 HydrophobicContact CE-CE1 4.24Å; M73-F246 HydrophobicContact CG-CE1 3.79Å; M73-F246 HydrophobicContact SD-CE1 4.03Å; L76-F246 HydrophobicContact CD1-CE1 4.42Å; L76-F246 HydrophobicContact CD1-CZ 4.32Å; P224-F246 HydrophobicContact CB-CD1 3.94Å; P224-F246 HydrophobicContact CB-CE1 3.97Å; P224-F246 HydrophobicContact CG-CB 4.11Å; P224-F246 HydrophobicContact CG-CD1 3.55Å; P224-F246 HydrophobicContact CG-CE1 4.1Å; P224-F246 HydrophobicContact CG-CG 3.84Å; F225-F246 HydrophobicContact CB-CD2 3.94Å; F225-F246 HydrophobicContact CB-CE2 3.92Å; F225-F246 HydrophobicContact CD2-CD2 4.45Å; F225-F246 AromaticContact CD2-CE2 3.87Å; F225-F246 HydrophobicContact CD2-CE2 3.87Å; F225-F246 HydrophobicContact CG-CE2 4.33Å; I228-F246 HydrophobicContact CG1-CZ 4.14Å; I241-F246 HydrophobicContact CG2-CE2 3.61Å; I241-F246 HydrophobicContact CG2-CZ 3.74Å; N242-F246 WeakPolarHBondContact O-CD2 3.33Å; N242-F246 WeakPolarHBondContact O-CE2 3.28Å; A243-F246 PolarHBondContact O-N 3.5Å; A243-F246 VanDerWaalsContact O-N 3.11Å; S244-F246 PolarHBondContact O-N 3.07Å; F246-Y255 HydrophobicContact CB-CD1 3.91Å; F246-Y255 HydrophobicContact CB-CE1 4.48Å; F246-C256 WeakPolarHBondContact CA-O 3.28Å; F246-L257 HydrophobicContact CD1-CD2 3.92Å; F246-L257 HydrophobicContact CE1-CD2 3.98Å
247	Y	97.8	Very high	97.3	Very high	49 Å²	49	61 Å²	61	19%	0.192	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.6	171.3	70.8	-81.3	0	0	0	110	N249 Y255 C256 L257 R258 D263	Y247-N249 HydrophobicContact CE2-CB 4.25Å; Y247-N249 PolarHBondContact O-N 3.38Å; Y247-Y255 WeakPolarHBondContact O-CA 3.2Å; Y247-C256 HydrophobicContact CD1-CB 4.18Å; Y247-C256 HydrophobicContact CD2-CB 4.45Å; Y247-C256 HydrophobicContact CE1-CB 3.53Å; Y247-C256 HydrophobicContact CE2-CB 3.86Å; Y247-C256 PolarHBondContact N-O 3.2Å; Y247-C256 PolarHBondContact O-N 3.36Å; Y247-C256 WeakPolarHBondContact OH-CB 3.31Å; Y247-L257 WeakPolarHBondContact CE1-O 3.41Å; Y247-R258 HydrophobicContact CD1-CB 4.16Å; Y247-R258 HydrophobicContact CE1-CB 4.43Å; Y247-D263 HydrophobicContact CE1-CB 4.05Å
248	F	97.8	Very high	97.2	Very high	107 Å²	107	64.9 Å²	64.9	47%	0.469	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.3	179.3	-170.3	-97.2	0	0	0	110.3	K250 Y255	F248-K250 HydrophobicContact CD1-CG 4.36Å; F248-K250 HydrophobicContact CE1-CG 4.47Å; F248-Y255 HydrophobicContact CB-CD1 4.27Å; F248-Y255 HydrophobicContact CB-CE1 4.07Å; F248-Y255 AromaticContact CD2-CD2 3.88Å; F248-Y255 HydrophobicContact CD2-CD2 3.88Å; F248-Y255 AromaticContact CD2-CE2 3.84Å; F248-Y255 HydrophobicContact CD2-CE2 3.84Å; F248-Y255 HydrophobicContact CD2-CG 4.29Å
249	N	97.5	Very high	97	Very high	42 Å²	42	65.8 Å²	65.8	23%	0.225	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.3	176.2	-177.4	-43.3	0	0	0	109.6	Y247 T251 K252 G253 F254 C256 C265	Y247-N249 HydrophobicContact CE2-CB 4.25Å; Y247-N249 PolarHBondContact O-N 3.38Å; N249-T251 VanDerWaalsContact C-N 3.32Å; N249-T251 PolarHBondContact O-N 2.76Å; N249-T251 WeakPolarHBondContact OD1-CB 3.12Å; N249-T251 PolarHBondContact OD1-N 3.04Å; N249-K252 HydrophobicContact CB-CB 3.88Å; N249-K252 PolarHBondContact O-N 2.99Å; N249-K252 PolarHBondContact OD1-N 3.47Å; N249-G253 PolarHBondContact O-N 3.29Å; N249-F254 PolarHBondContact N-O 3.41Å; N249-C256 HydrophobicContact CB-CB 4.46Å; N249-C256 WeakPolarHBondContact CB-SG 3.33Å; N249-C265 PolarHBondContact ND2-SG 3.18Å
250	K	95.6	Very high	96.6	Very high	186 Å²	186	66.5 Å²	66.5	81%	0.809	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-38.2	-177.9	-66.1	-175.5	-179.9	-179.4	0	113.3	F248 G253	F248-K250 HydrophobicContact CD1-CG 4.36Å; F248-K250 HydrophobicContact CE1-CG 4.47Å; K250-G253 PolarHBondContact O-N 3.12Å
251	T	93.7	Very high	96	Very high	142 Å²	142	65.4 Å²	65.4	87%	0.871	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-39.7	178.4	-52.6	0	0	0	0	111.4	N249	N249-T251 VanDerWaalsContact C-N 3.32Å; N249-T251 PolarHBondContact O-N 2.76Å; N249-T251 WeakPolarHBondContact OD1-CB 3.12Å; N249-T251 PolarHBondContact OD1-N 3.04Å
252	K	93.7	Very high	95.8	Very high	51 Å²	51	74.9 Å²	74.9	22%	0.222	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-32.4	176.7	-174.7	66	-172.7	-172	0	111.7	N249 F254 L266 H267 K270	N249-K252 HydrophobicContact CB-CB 3.88Å; N249-K252 PolarHBondContact O-N 2.99Å; N249-K252 PolarHBondContact OD1-N 3.47Å; K252-F254 VanDerWaalsContact C-N 3.28Å; K252-F254 HydrophobicContact CG-CB 4.17Å; K252-F254 HydrophobicContact CG-CD2 4.38Å; K252-F254 WeakPolarHBondContact O-CD2 3.35Å; K252-L266 PolarHBondContact NZ-O 2.85Å; K252-H267 PolarHBondContact NZ-O 3.33Å; K252-H267 VanDerWaalsContact NZ-O 3.15Å; K252-K270 VanDerWaalsContact CE-O 3.28Å; K252-K270 WeakPolarHBondContact CE-O 3.22Å; K252-K270 PolarHBondContact NZ-O 3.1Å
253	G	95.1	Very high	95.8	Very high	36 Å²	36	74.8 Å²	74.8	37%	0.371	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	13.4	-172.2	0	0	0	0	0	114	N249 K250	N249-G253 PolarHBondContact O-N 3.29Å; K250-G253 PolarHBondContact O-N 3.12Å
254	F	96.9	Very high	95.7	Very high	65 Å²	65	76.9 Å²	76.9	29%	0.285	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.9	-178.4	-67.8	-86.5	0	0	0	110.8	I221 N249 K252	I221-F254 HydrophobicContact CG1-CE1 4.37Å; I221-F254 HydrophobicContact CG2-CD1 4.04Å; I221-F254 HydrophobicContact CG2-CE1 3.84Å; N249-F254 PolarHBondContact N-O 3.41Å; K252-F254 VanDerWaalsContact C-N 3.28Å; K252-F254 HydrophobicContact CG-CB 4.17Å; K252-F254 HydrophobicContact CG-CD2 4.38Å; K252-F254 WeakPolarHBondContact O-CD2 3.35Å
255	Y	98	Very high	95.7	Very high	63 Å²	63	75.3 Å²	75.3	25%	0.247	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.5	167.1	-75.9	-90.3	0	0	0	111.7	R222 P224 F246 Y247 F248	R222-Y255 VanDerWaalsContact O-CE2 3.23Å; R222-Y255 WeakPolarHBondContact O-CE2 3.32Å; P224-Y255 HydrophobicContact CG-CD1 4.03Å; P224-Y255 HydrophobicContact CG-CD2 4.01Å; P224-Y255 HydrophobicContact CG-CG 3.75Å; F246-Y255 HydrophobicContact CB-CD1 3.91Å; F246-Y255 HydrophobicContact CB-CE1 4.48Å; Y247-Y255 WeakPolarHBondContact O-CA 3.2Å; F248-Y255 HydrophobicContact CB-CD1 4.27Å; F248-Y255 HydrophobicContact CB-CE1 4.07Å; F248-Y255 AromaticContact CD2-CD2 3.88Å; F248-Y255 HydrophobicContact CD2-CD2 3.88Å; F248-Y255 AromaticContact CD2-CE2 3.84Å; F248-Y255 HydrophobicContact CD2-CE2 3.84Å; F248-Y255 HydrophobicContact CD2-CG 4.29Å
256	C	98.1	Very high	95.6	Very high	1 Å²	1	76 Å²	76	1%	0.007	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	167.2	171.6	-61.2	0	0	0	0	109.4	F246 Y247 N249 R264 C265	F246-C256 WeakPolarHBondContact CA-O 3.28Å; Y247-C256 HydrophobicContact CD1-CB 4.18Å; Y247-C256 HydrophobicContact CD2-CB 4.45Å; Y247-C256 HydrophobicContact CE1-CB 3.53Å; Y247-C256 HydrophobicContact CE2-CB 3.86Å; Y247-C256 PolarHBondContact N-O 3.2Å; Y247-C256 PolarHBondContact O-N 3.36Å; Y247-C256 WeakPolarHBondContact OH-CB 3.31Å; N249-C256 HydrophobicContact CB-CB 4.46Å; N249-C256 WeakPolarHBondContact CB-SG 3.33Å; C256-R264 WeakPolarHBondContact CB-O 3.15Å; C256-C265 HydrophobicContact CB-CB 3.97Å; C256-C265 WeakPolarHBondContact CB-SG 3.42Å; C256-C265 VanDerWaalsContact SG-CA 3.52Å; C256-C265 WeakPolarHBondContact SG-CB 3.39Å; C256-C265 CovalentContact SG-SG 2.03Å; C256-C265 PolarHBondContact SG-SG 3.11Å
257	L	98.2	Very high	95.4	Very high	5 Å²	5	80.9 Å²	80.9	3%	0.026	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139	-170.8	-49.3	-178.3	0	0	0	110.6	E72 M73 L76 N245 F246 Y247 D263 R264	E72-L257 HydrophobicContact CB-CD1 3.73Å; E72-L257 WeakPolarHBondContact O-CD1 3.38Å; M73-L257 HydrophobicContact CE-CD2 4.28Å; M73-L257 HydrophobicContact CG-CD1 4.48Å; M73-L257 HydrophobicContact CG-CD2 3.68Å; L76-L257 HydrophobicContact CD1-CD2 4.2Å; L76-L257 HydrophobicContact CD2-CB 4.44Å; N245-L257 CarbonylContact O-C 3.51Å; N245-L257 WeakPolarHBondContact O-CA 3.23Å; F246-L257 HydrophobicContact CD1-CD2 3.92Å; F246-L257 HydrophobicContact CE1-CD2 3.98Å; Y247-L257 WeakPolarHBondContact CE1-O 3.41Å; L257-D263 WeakPolarHBondContact O-CA 3.23Å; L257-R264 HydrophobicContact CB-CG 4.13Å; L257-R264 PolarHBondContact N-O 2.91Å; L257-R264 PolarHBondContact O-N 3.21Å
258	R	97.2	Very high	95.1	Very high	104 Å²	104	84.8 Å²	84.8	39%	0.392	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	172.7	176.1	171.9	-65.6	154	0.6	109.2	N245 Y247 R262 D263	N245-R258 VanDerWaalsContact CA-O 3.32Å; N245-R258 WeakPolarHBondContact CA-O 3.47Å; N245-R258 PolarHBondContact ND2-O 2.8Å; N245-R258 PolarHBondContact O-N 3.35Å; Y247-R258 HydrophobicContact CD1-CB 4.16Å; Y247-R258 HydrophobicContact CE1-CB 4.43Å; R258-R262 WeakPolarHBondContact CA-O 3.36Å; R258-D263 WeakPolarHBondContact CB-OD1 3.49Å; R258-D263 VanDerWaalsContact CG-OD1 3.25Å; R258-D263 WeakPolarHBondContact CG-OD1 3.39Å; R258-D263 IonicContact CZ-OD1 3.21Å; R258-D263 IonicContact CZ-OD2 3.69Å; R258-D263 IonicContact NE-OD1 3.71Å; R258-D263 PolarHBondContact NE-OD1 2.9Å; R258-D263 IonicContact NE-OD2 2.67Å; R258-D263 PolarHBondContact NE-OD2 3.19Å; R258-D263 IonicContact NH2-OD1 2.84Å; R258-D263 IonicContact NH2-OD2 3.63Å; R258-D263 PolarHBondContact NH2-OD2 2.87Å
259	D	94	Very high	94.8	Very high	66 Å²	66	80.6 Å²	80.6	35%	0.353	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.3	177.5	179.7	20.2	0	0	0	110.4	L76 G261 R262	L76-D259 HydrophobicContact CD2-CB 3.75Å; D259-G261 PolarHBondContact O-N 2.96Å; D259-R262 PolarHBondContact N-O 3.35Å; D259-R262 WeakPolarHBondContact O-CA 3.33Å; D259-R262 WeakPolarHBondContact O-CB 3.47Å; D259-R262 PolarHBondContact O-N 3.45Å
260	S	88.7	Confident	94.7	Very high	113 Å²	113	81.3 Å²	81.3	79%	0.79	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	39.7	172.3	-57.6	0	0	0	0	113.9	R262	S260-R262 VanDerWaalsContact C-N 3.33Å; S260-R262 PolarHBondContact O-N 2.82Å
261	G	87.1	Confident	94.5	Very high	76 Å²	76	74.4 Å²	74.4	78%	0.784	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	2.3	-178.8	0	0	0	0	0	115.7	D259	D259-G261 PolarHBondContact O-N 2.96Å
262	R	93.7	Very high	94.6	Very high	203 Å²	203	69.4 Å²	69.4	77%	0.766	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.3	176	-62.5	-178.6	-176.8	174.3	1.8	110.8	R258 D259 S260	R258-R262 WeakPolarHBondContact CA-O 3.36Å; D259-R262 PolarHBondContact N-O 3.35Å; D259-R262 WeakPolarHBondContact O-CA 3.33Å; D259-R262 WeakPolarHBondContact O-CB 3.47Å; D259-R262 PolarHBondContact O-N 3.45Å; S260-R262 VanDerWaalsContact C-N 3.33Å; S260-R262 PolarHBondContact O-N 2.82Å
263	D	96.7	Very high	94.7	Very high	80 Å²	80	70.5 Å²	70.5	43%	0.428	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.2	174.9	-80.6	12.5	0	0	0	109.5	Y247 L257 R258	Y247-D263 HydrophobicContact CE1-CB 4.05Å; L257-D263 WeakPolarHBondContact O-CA 3.23Å; R258-D263 WeakPolarHBondContact CB-OD1 3.49Å; R258-D263 VanDerWaalsContact CG-OD1 3.25Å; R258-D263 WeakPolarHBondContact CG-OD1 3.39Å; R258-D263 IonicContact CZ-OD1 3.21Å; R258-D263 IonicContact CZ-OD2 3.69Å; R258-D263 IonicContact NE-OD1 3.71Å; R258-D263 PolarHBondContact NE-OD1 2.9Å; R258-D263 IonicContact NE-OD2 2.67Å; R258-D263 PolarHBondContact NE-OD2 3.19Å; R258-D263 IonicContact NH2-OD1 2.84Å; R258-D263 IonicContact NH2-OD2 3.63Å; R258-D263 PolarHBondContact NH2-OD2 2.87Å
264	R	96.6	Very high	94.7	Very high	102 Å²	102	71.6 Å²	71.6	39%	0.385	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	136.2	178.9	68.1	-172.5	-172.2	108.8	0.1	112.2	E72 C256 L257	E72-R264 PolarHBondContact O-NH2 3.02Å; E72-R264 IonicContact OE2-CZ 3.71Å; E72-R264 VanDerWaalsContact OE2-CZ 3.31Å; E72-R264 IonicContact OE2-NH1 3.46Å; E72-R264 PolarHBondContact OE2-NH1 3.17Å; E72-R264 IonicContact OE2-NH2 2.95Å; E72-R264 PolarHBondContact OE2-NH2 3.06Å; C256-R264 WeakPolarHBondContact CB-O 3.15Å; L257-R264 HydrophobicContact CB-CG 4.13Å; L257-R264 PolarHBondContact N-O 2.91Å; L257-R264 PolarHBondContact O-N 3.21Å
265	C	97.3	Very high	94.7	Very high	50 Å²	50	70.4 Å²	70.4	34%	0.338	38%	0.38	S	S	.	.			trans	-100.4	159.2	170.4	-66.5	0	0	0	0	110.9	N249 C256	N249-C265 PolarHBondContact ND2-SG 3.18Å; C256-C265 HydrophobicContact CB-CB 3.97Å; C256-C265 WeakPolarHBondContact CB-SG 3.42Å; C256-C265 VanDerWaalsContact SG-CA 3.52Å; C256-C265 WeakPolarHBondContact SG-CB 3.39Å; C256-C265 CovalentContact SG-SG 2.03Å; C256-C265 PolarHBondContact SG-SG 3.11Å
266	L	95.9	Very high	94.6	Very high	37 Å²	37	76 Å²	76	19%	0.194	41%	0.408	C	S	.	.			trans	-64.1	147.1	170.8	-60.4	179.5	0	0	0	111.1	R68 A69 E72 K252 K270	R68-L266 HydrophobicContact CG-CD2 4.38Å; A69-L266 HydrophobicContact CB-CD1 3.62Å; E72-L266 HydrophobicContact CB-CD2 3.99Å; E72-L266 HydrophobicContact CG-CD2 3.65Å; K252-L266 PolarHBondContact NZ-O 2.85Å; L266-K270 HydrophobicContact CB-CB 3.9Å; L266-K270 HydrophobicContact CB-CG 4.04Å; L266-K270 HydrophobicContact CD1-CB 4.35Å
267	H	94.8	Very high	94.5	Very high	120 Å²	120	76.9 Å²	76.9	56%	0.556	41%	0.413	S	S	*	.			trans	-45.3	152.3	178.7	-172.3	-98.6	0	0	0	113.3	K252 S269 K270	K252-H267 PolarHBondContact NZ-O 3.33Å; K252-H267 VanDerWaalsContact NZ-O 3.15Å; H267-S269 WeakPolarHBondContact ND1-CB 3.26Å; H267-S269 PolarHBondContact ND1-N 2.79Å; H267-S269 VanDerWaalsContact ND1-N 3.18Å; H267-S269 PolarHBondContact ND1-OG 3.45Å; H267-S269 PolarHBondContact O-N 3.27Å; H267-K270 WeakPolarHBondContact O-CB 3.46Å; H267-K270 PolarHBondContact O-N 2.97Å
268	E	91.2	Very high	94.4	Very high	131 Å²	131	80.6 Å²	80.6	61%	0.612	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.9	179.9	53.4	160.9	-139	0	0	114.2	K270	E268-K270 PolarHBondContact O-N 3.03Å
269	S	91.1	Very high	94.4	Very high	20 Å²	20	80.6 Å²	80.6	14%	0.14	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-6.7	175.7	67.4	0	0	0	0	114.3	H267	H267-S269 WeakPolarHBondContact ND1-CB 3.26Å; H267-S269 PolarHBondContact ND1-N 2.79Å; H267-S269 VanDerWaalsContact ND1-N 3.18Å; H267-S269 PolarHBondContact ND1-OG 3.45Å; H267-S269 PolarHBondContact O-N 3.27Å
270	K	95.5	Very high	94.5	Very high	57 Å²	57	85.5 Å²	85.5	25%	0.248	47%	0.465	C	S	.	.	S	Bend	trans	-108.1	131.3	178.2	-48.7	-54.3	175.2	-173	0	109.7	R68 K252 L266 H267 E268	R68-K270 HydrophobicContact CB-CD 4.45Å; K252-K270 VanDerWaalsContact CE-O 3.28Å; K252-K270 WeakPolarHBondContact CE-O 3.22Å; K252-K270 PolarHBondContact NZ-O 3.1Å; L266-K270 HydrophobicContact CB-CB 3.9Å; L266-K270 HydrophobicContact CB-CG 4.04Å; L266-K270 HydrophobicContact CD1-CB 4.35Å; H267-K270 WeakPolarHBondContact O-CB 3.46Å; H267-K270 PolarHBondContact O-N 2.97Å; E268-K270 PolarHBondContact O-N 3.03Å
271	G	91.8	Very high	94.9	Very high	41 Å²	41	81 Å²	81	42%	0.423	43%	0.431	S	S	.	.	S	Bend	trans	82.1	33.7	-178.4	0	0	0	0	0	114.8
272	R	94.6	Very high	95.4	Very high	36 Å²	36	79.7 Å²	79.7	14%	0.136	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-73	141.8	177.3	-64.1	-173.2	177.5	141.6	-7.9	111	T158 Y162	T158-R272 HydrophobicContact CG2-CB 3.77Å; Y162-R272 HydrophobicContact CD2-CB 4.44Å; Y162-R272 VanDerWaalsContact CD2-CD 3.46Å; Y162-R272 HydrophobicContact CE2-CB 4.09Å; Y162-R272 HydrophobicContact CE2-CG 4.44Å
273	A	95.3	Very high	95.6	Very high	74 Å²	74	73.9 Å²	73.9	61%	0.612	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-59.3	136.3	174.3	0	0	0	0	0	111	T158	T158-A273 VanDerWaalsContact CG2-O 3.29Å; T158-A273 WeakPolarHBondContact CG2-O 3.4Å
274	H	97	Very high	95.6	Very high	60 Å²	60	75 Å²	75	28%	0.278	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-80	152.7	175.6	-65.8	174.5	0	0	0	110.4	E151 L154 S155	E151-H274 PolarHBondContact O-CE1 3Å; L154-H274 HydrophobicContact CB-CB 4.27Å; L154-H274 HydrophobicContact CD1-CB 4.47Å; S155-H274 WeakPolarHBondContact CA-NE2 3.46Å; S155-H274 WeakPolarHBondContact CB-NE2 3.39Å
275	P	95.1	Very high	95.6	Very high	40 Å²	40	70.1 Å²	70.1	26%	0.26	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-62.2	151.9	171.5	30.2	-37.4	0	0	0	110.5	Y157 T158 I174 V277	Y157-P275 HydrophobicContact CD1-CG 3.89Å; Y157-P275 HydrophobicContact CE1-CB 4.42Å; Y157-P275 HydrophobicContact CE1-CG 3.91Å; T158-P275 WeakPolarHBondContact OG1-CD 3.38Å; I174-P275 HydrophobicContact CB-CG 4.43Å; I174-P275 HydrophobicContact CD1-CG 4.18Å; I174-P275 HydrophobicContact CG2-CB 4.46Å; I174-P275 HydrophobicContact CG2-CG 4.07Å; P275-V277 HydrophobicContact CG-CG2 4.38Å
276	Q	96.1	Very high	95.7	Very high	180 Å²	180	69 Å²	69	84%	0.841	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-70.4	132.6	163.2	-65.5	-64.4	-32.7	0	0	108
277	V	96.4	Very high	95.8	Very high	19 Å²	19	73 Å²	73	12%	0.115	38%	0.381	C	S	.	.			trans	-121.8	142.4	179.5	-177.3	0	0	0	0	108	L154 I174 P275 L281 L282	L154-V277 HydrophobicContact CD2-CG2 3.79Å; I174-V277 HydrophobicContact CG2-CG2 3.77Å; P275-V277 HydrophobicContact CG-CG2 4.38Å; V277-L281 HydrophobicContact CG1-CB 4.18Å; V277-L281 HydrophobicContact CG1-CD2 3.97Å; V277-L281 HydrophobicContact CG1-CG 4.12Å; V277-L282 HydrophobicContact CG1-CB 4.46Å
278	D	96.1	Very high	95.9	Very high	84 Å²	84	70.2 Å²	70.2	45%	0.449	37%	0.366	S	S	.	.			trans	-50.5	126.5	174.2	-178	-61.9	0	0	0	110.5	K280 L281 L282	D278-K280 PolarHBondContact O-N 3.21Å; D278-K280 VanDerWaalsContact O-N 3.16Å; D278-K280 WeakPolarHBondContact OD1-CA 3.33Å; D278-K280 VanDerWaalsContact OD1-CB 3.22Å; D278-K280 WeakPolarHBondContact OD1-CB 3.38Å; D278-K280 PolarHBondContact OD1-N 3.5Å; D278-L281 HydrophobicContact CB-CB 4.12Å; D278-L281 WeakPolarHBondContact O-CA 3.36Å; D278-L281 WeakPolarHBondContact O-CB 3.46Å; D278-L281 PolarHBondContact O-N 2.82Å; D278-L281 PolarHBondContact OD1-N 2.83Å; D278-L282 PolarHBondContact O-N 3.06Å
279	P	97.4	Very high	96.3	Very high	103 Å²	103	64 Å²	64	67%	0.669	34%	0.337	S	S	*	.	H	α-helix	trans	-56.3	-32.9	-177.3	-28.5	35.6	0	0	0	114.6	L282 N283	P279-L282 PolarHBondContact O-N 3.41Å; P279-N283 WeakPolarHBondContact O-CB 3.32Å; P279-N283 PolarHBondContact O-N 2.93Å
280	K	96.5	Very high	96.7	Very high	169 Å²	169	67.2 Å²	67.2	74%	0.735	35%	0.349	S	S	*	.	H	α-helix	trans	-69.6	-38.6	175.9	-61.4	179	178.3	175.6	0	111.1	D278 K284	D278-K280 PolarHBondContact O-N 3.21Å; D278-K280 VanDerWaalsContact O-N 3.16Å; D278-K280 WeakPolarHBondContact OD1-CA 3.33Å; D278-K280 VanDerWaalsContact OD1-CB 3.22Å; D278-K280 WeakPolarHBondContact OD1-CB 3.38Å; D278-K280 PolarHBondContact OD1-N 3.5Å; K280-K284 WeakPolarHBondContact O-CG 3.46Å; K280-K284 PolarHBondContact O-N 3.01Å; K280-K284 VanDerWaalsContact O-N 3.12Å
281	L	96.4	Very high	96.8	Very high	18 Å²	18	69.2 Å²	69.2	9%	0.094	36%	0.359	C	S	.	.	H	α-helix	trans	-68.8	-40.7	175.4	-179.8	58.6	0	0	0	111	E175 L178 V179 L184 V277 D278 K284 L285	E175-L281 HydrophobicContact CB-CD2 4.36Å; E175-L281 HydrophobicContact CG-CD2 3.91Å; L178-L281 HydrophobicContact CB-CD1 4.33Å; L178-L281 HydrophobicContact CB-CD2 4.13Å; L178-L281 HydrophobicContact CD1-CD2 4.1Å; L178-L281 HydrophobicContact CD1-CG 4.37Å; V179-L281 HydrophobicContact CG2-CD1 3.62Å; V179-L281 HydrophobicContact CG2-CD2 3.92Å; V179-L281 HydrophobicContact CG2-CG 4.44Å; L184-L281 HydrophobicContact CD1-CD1 4.4Å; V277-L281 HydrophobicContact CG1-CB 4.18Å; V277-L281 HydrophobicContact CG1-CD2 3.97Å; V277-L281 HydrophobicContact CG1-CG 4.12Å; D278-L281 HydrophobicContact CB-CB 4.12Å; D278-L281 WeakPolarHBondContact O-CA 3.36Å; D278-L281 WeakPolarHBondContact O-CB 3.46Å; D278-L281 PolarHBondContact O-N 2.82Å; D278-L281 PolarHBondContact OD1-N 2.83Å; L281-K284 WeakPolarHBondContact O-CB 3.26Å; L281-K284 PolarHBondContact O-N 3.2Å; L281-L285 PolarHBondContact O-N 2.83Å
282	L	97.3	Very high	97.1	Very high	50 Å²	50	68.1 Å²	68.1	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-44	176	-172.6	61.9	0	0	0	111.3	L154 V277 D278 P279 K284 L285 H286	L154-L282 HydrophobicContact CD1-CD1 4.43Å; V277-L282 HydrophobicContact CG1-CB 4.46Å; D278-L282 PolarHBondContact O-N 3.06Å; P279-L282 PolarHBondContact O-N 3.41Å; L282-K284 PolarHBondContact O-N 3.35Å; L282-L285 WeakPolarHBondContact O-CA 3.33Å; L282-L285 WeakPolarHBondContact O-CB 3.41Å; L282-L285 PolarHBondContact O-N 3.46Å; L282-H286 WeakPolarHBondContact CD1-NE2 3.42Å; L282-H286 WeakPolarHBondContact CG-NE2 3.43Å; L282-H286 PolarHBondContact O-CD2 3.46Å; L282-H286 PolarHBondContact O-N 2.03Å
283	N	97.5	Very high	97.4	Very high	81 Å²	81	66.7 Å²	66.7	43%	0.433	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-41.7	175	-171.9	71.1	0	0	0	112.4	P279 L285 H286 E287	P279-N283 WeakPolarHBondContact O-CB 3.32Å; P279-N283 PolarHBondContact O-N 2.93Å; N283-L285 VanDerWaalsContact C-N 3.25Å; N283-L285 PolarHBondContact O-N 2.98Å; N283-H286 PolarHBondContact O-N 2.92Å; N283-E287 PolarHBondContact ND2-OE1 3.4Å; N283-E287 WeakPolarHBondContact O-CG 3.48Å; N283-E287 PolarHBondContact O-N 2.93Å
284	K	97.1	Very high	97.5	Very high	102 Å²	102	67 Å²	67	44%	0.443	33%	0.328	S	S	.	.	H	α-helix	trans	-60.3	-35.4	173	-75.1	179	177.7	-178.7	0	112.6	K280 L281 L282 Y288	K280-K284 WeakPolarHBondContact O-CG 3.46Å; K280-K284 PolarHBondContact O-N 3.01Å; K280-K284 VanDerWaalsContact O-N 3.12Å; L281-K284 WeakPolarHBondContact O-CB 3.26Å; L281-K284 PolarHBondContact O-N 3.2Å; L282-K284 PolarHBondContact O-N 3.35Å; K284-Y288 WeakPolarHBondContact O-CB 3.45Å; K284-Y288 PolarHBondContact O-N 3.3Å
285	L	97.6	Very high	97.6	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-68.6	-40.7	176.5	-172.5	63.3	0	0	0	111.2	V153 L178 L184 L191 L281 L282 N283 Y288 F289	V153-L285 HydrophobicContact CB-CD2 4.41Å; V153-L285 HydrophobicContact CG1-CD2 4.31Å; L178-L285 HydrophobicContact CD2-CD1 4.25Å; L184-L285 HydrophobicContact CD1-CD1 4.34Å; L191-L285 HydrophobicContact CD1-CD1 4.23Å; L191-L285 HydrophobicContact CG-CD1 4.26Å; L281-L285 PolarHBondContact O-N 2.83Å; L282-L285 WeakPolarHBondContact O-CA 3.33Å; L282-L285 WeakPolarHBondContact O-CB 3.41Å; L282-L285 PolarHBondContact O-N 3.46Å; N283-L285 VanDerWaalsContact C-N 3.25Å; N283-L285 PolarHBondContact O-N 2.98Å; L285-Y288 WeakPolarHBondContact O-CB 3.07Å; L285-Y288 PolarHBondContact O-N 2.78Å; L285-F289 HydrophobicContact CD1-CD2 4.25Å; L285-F289 HydrophobicContact CD1-CE2 3.55Å; L285-F289 HydrophobicContact CD1-CZ 4.3Å; L285-F289 HydrophobicContact CG-CD2 4.3Å; L285-F289 HydrophobicContact CG-CE2 3.92Å; L285-F289 WeakPolarHBondContact O-CD2 3.06Å; L285-F289 PolarHBondContact O-N 2.96Å
286	H	98.4	Very high	97.8	Very high	26 Å²	26	67.6 Å²	67.6	12%	0.12	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-51.5	175.1	-61	-179	0	0	0	110.8	S150 L282 N283 Y288 F289 H290 H307	S150-H286 PolarHBondContact OG-CD2 3.4Å; S150-H286 VanDerWaalsContact OG-CD2 3.27Å; L282-H286 WeakPolarHBondContact CD1-NE2 3.42Å; L282-H286 WeakPolarHBondContact CG-NE2 3.43Å; L282-H286 PolarHBondContact O-CD2 3.46Å; L282-H286 PolarHBondContact O-N 2.03Å; N283-H286 PolarHBondContact O-N 2.92Å; H286-Y288 VanDerWaalsContact C-N 3.26Å; H286-Y288 PolarHBondContact O-N 3.34Å; H286-F289 PolarHBondContact O-N 3.32Å; H286-H290 PolarHBondContact O-N 3.17Å; H286-H307 HydrophobicContact CB-CB 3.96Å; H286-H307 AromaticContact CE1-CD2 3.29Å; H286-H307 PolarHBondContact CE1-CD2 2.82Å; H286-H307 AromaticContact CE1-CG 3.46Å; H286-H307 VanDerWaalsContact CE1-CG 3.46Å; H286-H307 AromaticContact CE1-NE2 3.81Å; H286-H307 WeakPolarHBondContact ND1-CB 3.42Å; H286-H307 AromaticContact ND1-CD2 3.61Å; H286-H307 AromaticContact ND1-CG 3.64Å; H286-H307 AromaticContact NE2-CG 3.85Å
287	E	98.2	Very high	97.9	Very high	121 Å²	121	60.7 Å²	60.7	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-55.7	-40.2	176.9	-73.3	172.8	179.6	0	0	112.3	N283 F289 H290	N283-E287 PolarHBondContact ND2-OE1 3.4Å; N283-E287 WeakPolarHBondContact O-CG 3.48Å; N283-E287 PolarHBondContact O-N 2.93Å; E287-F289 VanDerWaalsContact C-N 3.28Å; E287-F289 PolarHBondContact O-N 3.08Å; E287-H290 WeakPolarHBondContact O-CB 3.26Å; E287-H290 PolarHBondContact O-N 2.91Å
288	Y	98.4	Very high	98	Very high	62 Å²	62	67.1 Å²	67.1	24%	0.243	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-37.4	177.5	172.3	-99.5	0	0	0	112.9	L184 V186 L191 L195 K284 L285 H286 P292	L184-Y288 HydrophobicContact CD2-CD1 4.04Å; L184-Y288 HydrophobicContact CD2-CD2 3.64Å; L184-Y288 HydrophobicContact CD2-CE2 4.37Å; L184-Y288 HydrophobicContact CD2-CG 3.43Å; L184-Y288 VanDerWaalsContact CD2-CG 3.43Å; V186-Y288 HydrophobicContact CG1-CD2 4.5Å; V186-Y288 HydrophobicContact CG1-CE2 3.72Å; L191-Y288 HydrophobicContact CB-CE1 4.16Å; L191-Y288 HydrophobicContact CD2-CD1 4.24Å; L191-Y288 HydrophobicContact CD2-CE1 3.89Å; L191-Y288 HydrophobicContact CG-CD1 4.48Å; L191-Y288 HydrophobicContact CG-CE1 4.06Å; L195-Y288 HydrophobicContact CD2-CE1 4.15Å; K284-Y288 WeakPolarHBondContact O-CB 3.45Å; K284-Y288 PolarHBondContact O-N 3.3Å; L285-Y288 WeakPolarHBondContact O-CB 3.07Å; L285-Y288 PolarHBondContact O-N 2.78Å; H286-Y288 VanDerWaalsContact C-N 3.26Å; H286-Y288 PolarHBondContact O-N 3.34Å; Y288-P292 VanDerWaalsContact O-CD 3.29Å; Y288-P292 WeakPolarHBondContact O-CD 3.24Å; Y288-P292 WeakPolarHBondContact O-CG 3.37Å
289	F	98.8	Very high	98.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-87.7	-13.1	-178.8	-70	-60.3	0	0	0	114.4	P149 S150 V153 L191 L195 L285 H286 E287 E291 P292 N293	P149-F289 HydrophobicContact CB-CB 4.23Å; P149-F289 HydrophobicContact CB-CD1 3.91Å; P149-F289 HydrophobicContact CB-CD2 3.84Å; P149-F289 HydrophobicContact CB-CE1 4.2Å; P149-F289 HydrophobicContact CB-CE2 4.11Å; P149-F289 HydrophobicContact CB-CG 3.73Å; P149-F289 HydrophobicContact CB-CZ 4.3Å; P149-F289 HydrophobicContact CG-CB 3.66Å; P149-F289 HydrophobicContact CG-CD1 4.28Å; P149-F289 HydrophobicContact CG-CD2 3.93Å; P149-F289 HydrophobicContact CG-CG 3.71Å; S150-F289 WeakPolarHBondContact OG-CD2 3.02Å; V153-F289 HydrophobicContact CG2-CE2 4.08Å; V153-F289 HydrophobicContact CG2-CZ 3.92Å; L191-F289 HydrophobicContact CB-CZ 4.4Å; L191-F289 HydrophobicContact CG-CZ 4.12Å; L195-F289 HydrophobicContact CD2-CD1 4.21Å; L195-F289 HydrophobicContact CD2-CE1 4.11Å; L285-F289 HydrophobicContact CD1-CD2 4.25Å; L285-F289 HydrophobicContact CD1-CE2 3.55Å; L285-F289 HydrophobicContact CD1-CZ 4.3Å; L285-F289 HydrophobicContact CG-CD2 4.3Å; L285-F289 HydrophobicContact CG-CE2 3.92Å; L285-F289 WeakPolarHBondContact O-CD2 3.06Å; L285-F289 PolarHBondContact O-N 2.96Å; H286-F289 PolarHBondContact O-N 3.32Å; E287-F289 VanDerWaalsContact C-N 3.28Å; E287-F289 PolarHBondContact O-N 3.08Å; F289-E291 PolarHBondContact O-N 3.03Å; F289-P292 VanDerWaalsContact O-CD 3.29Å; F289-P292 WeakPolarHBondContact O-CD 3.47Å; F289-N293 VanDerWaalsContact O-CB 3.25Å; F289-N293 WeakPolarHBondContact O-CB 3.15Å; F289-N293 PolarHBondContact O-N 3.18Å; F289-N293 PolarHBondContact O-ND2 3.14Å; F289-N293 PolarHBondContact O-OD1 3.37Å
290	H	98.5	Very high	98.2	Very high	87 Å²	87	61.3 Å²	61.3	40%	0.403	29%	0.285	S	S	.	.	H	α-helix	trans	-54.7	-52.5	-176.5	-177.1	-108.5	0	0	0	113.7	H286 E287 N293 K294	H286-H290 PolarHBondContact O-N 3.17Å; E287-H290 WeakPolarHBondContact O-CB 3.26Å; E287-H290 PolarHBondContact O-N 2.91Å; H290-N293 PolarHBondContact O-N 3.35Å; H290-K294 WeakPolarHBondContact CE1-CE 3.29Å; H290-K294 PolarHBondContact CE1-NZ 2.79Å; H290-K294 PolarHBondContact O-N 2.81Å; H290-K294 VanDerWaalsContact O-N 3.1Å
291	E	98.7	Very high	98.3	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-68.4	-44.5	177.3	-71.6	-58	133.4	0	0	113.3	F289 N293 K294 K295	F289-E291 PolarHBondContact O-N 3.03Å; E291-N293 VanDerWaalsContact C-N 3.26Å; E291-N293 PolarHBondContact O-N 3.16Å; E291-K294 PolarHBondContact O-N 3.05Å; E291-K294 IonicContact OE1-NZ 2.78Å; E291-K294 PolarHBondContact OE1-NZ 2.85Å; E291-K295 WeakPolarHBondContact O-CG 3.23Å; E291-K295 PolarHBondContact O-N 2.92Å; E291-K295 VanDerWaalsContact O-N 3.12Å
292	P	98.8	Very high	98.4	Very high	18 Å²	18	59.8 Å²	59.8	12%	0.117	30%	0.296	C	S	.	.	H	α-helix	trans	-53.2	-38	168.6	-30.4	35.9	0	0	0	114.8	L195 H197 Y288 F289 K295 F296	L195-P292 HydrophobicContact CD2-CB 3.79Å; L195-P292 HydrophobicContact CD2-CG 3.74Å; H197-P292 PolarHBondContact CD2-O 3.36Å; H197-P292 VanDerWaalsContact CD2-O 3.31Å; Y288-P292 VanDerWaalsContact O-CD 3.29Å; Y288-P292 WeakPolarHBondContact O-CD 3.24Å; Y288-P292 WeakPolarHBondContact O-CG 3.37Å; F289-P292 VanDerWaalsContact O-CD 3.29Å; F289-P292 WeakPolarHBondContact O-CD 3.47Å; P292-K295 PolarHBondContact O-N 3.49Å; P292-F296 PolarHBondContact O-N 3Å
293	N	98.9	Very high	98.4	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-46.2	179.3	-72.3	-11.8	0	0	0	111	F289 H290 E291 K295 F296 F297 W306	F289-N293 VanDerWaalsContact O-CB 3.25Å; F289-N293 WeakPolarHBondContact O-CB 3.15Å; F289-N293 PolarHBondContact O-N 3.18Å; F289-N293 PolarHBondContact O-ND2 3.14Å; F289-N293 PolarHBondContact O-OD1 3.37Å; H290-N293 PolarHBondContact O-N 3.35Å; E291-N293 VanDerWaalsContact C-N 3.26Å; E291-N293 PolarHBondContact O-N 3.16Å; N293-K295 VanDerWaalsContact C-N 3.33Å; N293-K295 PolarHBondContact O-N 2.93Å; N293-F296 CarbonylContact O-C 3.56Å; N293-F296 WeakPolarHBondContact O-CA 3.32Å; N293-F296 WeakPolarHBondContact O-CB 3.5Å; N293-F296 PolarHBondContact O-N 3.07Å; N293-F297 HydrophobicContact CB-CE2 4.03Å; N293-F297 HydrophobicContact CB-CZ 3.92Å; N293-F297 WeakPolarHBondContact O-CD1 3.46Å; N293-F297 WeakPolarHBondContact O-CD2 3.44Å; N293-F297 WeakPolarHBondContact O-CG 3.36Å; N293-F297 PolarHBondContact O-N 2.68Å; N293-W306 HydrophobicContact CB-CE3 4.28Å
294	K	98.8	Very high	98.5	Very high	81 Å²	81	59.2 Å²	59.2	35%	0.352	30%	0.297	S	S	.	.	H	α-helix	trans	-55.3	-48	173.5	-71.1	177.4	-177	170.7	0	112.1	H290 E291 F296 F297 E298	H290-K294 WeakPolarHBondContact CE1-CE 3.29Å; H290-K294 PolarHBondContact CE1-NZ 2.79Å; H290-K294 PolarHBondContact O-N 2.81Å; H290-K294 VanDerWaalsContact O-N 3.1Å; E291-K294 PolarHBondContact O-N 3.05Å; E291-K294 IonicContact OE1-NZ 2.78Å; E291-K294 PolarHBondContact OE1-NZ 2.85Å; K294-F296 VanDerWaalsContact C-N 3.25Å; K294-F296 PolarHBondContact O-N 3.04Å; K294-F297 PolarHBondContact O-N 2.98Å; K294-F297 VanDerWaalsContact O-N 3.11Å; K294-E298 WeakPolarHBondContact O-CG 3.5Å; K294-E298 PolarHBondContact O-N 2.87Å
295	K	98.9	Very high	98.5	Very high	111 Å²	111	61.1 Å²	61.1	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-40	175.7	-70.3	175.8	-178.8	176.9	0	112	H197 E291 P292 N293 L299	H197-K295 HydrophobicContact CB-CB 4.09Å; E291-K295 WeakPolarHBondContact O-CG 3.23Å; E291-K295 PolarHBondContact O-N 2.92Å; E291-K295 VanDerWaalsContact O-N 3.12Å; P292-K295 PolarHBondContact O-N 3.49Å; N293-K295 VanDerWaalsContact C-N 3.33Å; N293-K295 PolarHBondContact O-N 2.93Å; K295-L299 WeakPolarHBondContact O-CB 3.49Å; K295-L299 PolarHBondContact O-N 2.78Å; K295-L299 VanDerWaalsContact O-N 3.08Å
296	F	98.9	Very high	98.5	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-45.9	175.8	-179.4	-107	0	0	0	111.5	L146 H197 M200 I214 P292 N293 K294 E298 L299 V300 F304 W306	L146-F296 HydrophobicContact CD1-CE1 3.58Å; L146-F296 HydrophobicContact CD1-CE2 4Å; L146-F296 HydrophobicContact CD1-CZ 3.19Å; H197-F296 HydrophobicContact CB-CB 3.96Å; H197-F296 HydrophobicContact CB-CD2 4.5Å; M200-F296 HydrophobicContact CB-CD2 4.26Å; M200-F296 HydrophobicContact CB-CE2 3.96Å; M200-F296 HydrophobicContact CG-CE2 3.99Å; I214-F296 HydrophobicContact CD1-CZ 3.98Å; P292-F296 PolarHBondContact O-N 3Å; N293-F296 CarbonylContact O-C 3.56Å; N293-F296 WeakPolarHBondContact O-CA 3.32Å; N293-F296 WeakPolarHBondContact O-CB 3.5Å; N293-F296 PolarHBondContact O-N 3.07Å; K294-F296 VanDerWaalsContact C-N 3.25Å; K294-F296 PolarHBondContact O-N 3.04Å; F296-E298 PolarHBondContact O-N 3.47Å; F296-L299 WeakPolarHBondContact O-CB 3.32Å; F296-L299 PolarHBondContact O-N 3.49Å; F296-V300 HydrophobicContact CD1-CG2 4.34Å; F296-V300 HydrophobicContact CD2-CG1 4.11Å; F296-V300 HydrophobicContact CE1-CG1 4.42Å; F296-V300 HydrophobicContact CE1-CG2 3.99Å; F296-V300 HydrophobicContact CE2-CG1 3.63Å; F296-V300 HydrophobicContact CZ-CG1 3.8Å; F296-V300 HydrophobicContact CZ-CG2 4.14Å; F296-V300 WeakPolarHBondContact O-CG2 3.41Å; F296-V300 PolarHBondContact O-N 2.8Å; F296-F304 HydrophobicContact CE1-CD2 4.25Å; F296-F304 AromaticContact CE1-CE2 3.84Å; F296-F304 HydrophobicContact CE1-CE2 3.84Å; F296-W306 AromaticContact CD1-CH2 3.89Å; F296-W306 HydrophobicContact CD1-CH2 3.89Å; F296-W306 AromaticContact CD1-CZ3 3.92Å; F296-W306 HydrophobicContact CD1-CZ3 3.92Å; F296-W306 AromaticContact CE1-CH2 3.85Å; F296-W306 HydrophobicContact CE1-CH2 3.85Å; F296-W306 HydrophobicContact CE1-CZ3 4.36Å
297	F	98.8	Very high	98.4	Very high	35 Å²	35	66.8 Å²	66.8	15%	0.154	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-43.7	-179.1	-58.1	-25.5	0	0	0	112.5	N293 K294 V300 G301 R302 T303 F304 W306	N293-F297 HydrophobicContact CB-CE2 4.03Å; N293-F297 HydrophobicContact CB-CZ 3.92Å; N293-F297 WeakPolarHBondContact O-CD1 3.46Å; N293-F297 WeakPolarHBondContact O-CD2 3.44Å; N293-F297 WeakPolarHBondContact O-CG 3.36Å; N293-F297 PolarHBondContact O-N 2.68Å; K294-F297 PolarHBondContact O-N 2.98Å; K294-F297 VanDerWaalsContact O-N 3.11Å; F297-V300 PolarHBondContact O-N 2.96Å; F297-G301 WeakPolarHBondContact O-CA 3.46Å; F297-G301 PolarHBondContact O-N 2.8Å; F297-R302 VanDerWaalsContact CA-O 3.26Å; F297-R302 WeakPolarHBondContact CA-O 3.5Å; F297-R302 WeakPolarHBondContact CB-O 3.25Å; F297-R302 WeakPolarHBondContact CD1-O 3.35Å; F297-R302 PolarHBondContact O-N 3.47Å; F297-T303 HydrophobicContact CB-CG2 4.12Å; F297-T303 HydrophobicContact CD2-CG2 4.01Å; F297-T303 HydrophobicContact CG-CG2 4.11Å; F297-F304 HydrophobicContact CD1-CD2 4.03Å; F297-F304 HydrophobicContact CE1-CB 3.98Å; F297-F304 AromaticContact CE1-CD2 3.76Å; F297-F304 HydrophobicContact CE1-CD2 3.76Å; F297-F304 HydrophobicContact CE1-CG 4.36Å; F297-F304 HydrophobicContact CZ-CB 4.36Å; F297-W306 HydrophobicContact CD1-CZ3 4.49Å; F297-W306 HydrophobicContact CE1-CD2 4.3Å; F297-W306 AromaticContact CE1-CE3 3.55Å; F297-W306 HydrophobicContact CE1-CE3 3.55Å; F297-W306 HydrophobicContact CE1-CH2 4.22Å; F297-W306 AromaticContact CE1-CZ3 3.5Å; F297-W306 HydrophobicContact CE1-CZ3 3.5Å; F297-W306 HydrophobicContact CZ-CD2 4.27Å; F297-W306 AromaticContact CZ-CE3 3.62Å; F297-W306 HydrophobicContact CZ-CE3 3.62Å; F297-W306 HydrophobicContact CZ-CZ3 4.06Å
298	E	98.8	Very high	98.4	Very high	154 Å²	154	64.1 Å²	64.1	72%	0.72	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-46.2	173.3	-71.1	172.9	-175.7	0	0	111.1	K294 F296 V300 G301	K294-E298 WeakPolarHBondContact O-CG 3.5Å; K294-E298 PolarHBondContact O-N 2.87Å; F296-E298 PolarHBondContact O-N 3.47Å; E298-V300 VanDerWaalsContact C-N 3.29Å; E298-V300 PolarHBondContact O-N 3.46Å; E298-G301 PolarHBondContact O-N 3.39Å
299	L	98.7	Very high	98.4	Very high	53 Å²	53	64.2 Å²	64.2	28%	0.277	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-36.3	-178.9	-178.3	67	0	0	0	113.1	M200 Q201 L204 K295 F296	M200-L299 HydrophobicContact CB-CD2 3.86Å; M200-L299 HydrophobicContact CG-CD2 3.84Å; Q201-L299 HydrophobicContact CG-CD1 4.3Å; Q201-L299 HydrophobicContact CG-CD2 3.79Å; L204-L299 HydrophobicContact CD1-CD1 3.67Å; L204-L299 HydrophobicContact CD1-CD2 4.01Å; L204-L299 HydrophobicContact CD1-CG 3.69Å; K295-L299 WeakPolarHBondContact O-CB 3.49Å; K295-L299 PolarHBondContact O-N 2.78Å; K295-L299 VanDerWaalsContact O-N 3.08Å; F296-L299 WeakPolarHBondContact O-CB 3.32Å; F296-L299 PolarHBondContact O-N 3.49Å
300	V	98.6	Very high	98.4	Very high	13 Å²	13	67.7 Å²	67.7	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-104.1	-1.2	-176.2	-51.6	0	0	0	0	113.8	M200 L209 I214 F296 F297 E298 R302	M200-V300 HydrophobicContact CE-CG1 4.05Å; M200-V300 HydrophobicContact CG-CG1 4.06Å; L209-V300 HydrophobicContact CD1-CB 4.27Å; L209-V300 HydrophobicContact CD1-CG1 4.25Å; I214-V300 HydrophobicContact CD1-CB 3.73Å; I214-V300 HydrophobicContact CD1-CG1 3.68Å; I214-V300 HydrophobicContact CD1-CG2 3.99Å; F296-V300 HydrophobicContact CD1-CG2 4.34Å; F296-V300 HydrophobicContact CD2-CG1 4.11Å; F296-V300 HydrophobicContact CE1-CG1 4.42Å; F296-V300 HydrophobicContact CE1-CG2 3.99Å; F296-V300 HydrophobicContact CE2-CG1 3.63Å; F296-V300 HydrophobicContact CZ-CG1 3.8Å; F296-V300 HydrophobicContact CZ-CG2 4.14Å; F296-V300 WeakPolarHBondContact O-CG2 3.41Å; F296-V300 PolarHBondContact O-N 2.8Å; F297-V300 PolarHBondContact O-N 2.96Å; E298-V300 VanDerWaalsContact C-N 3.29Å; E298-V300 PolarHBondContact O-N 3.46Å; V300-R302 VanDerWaalsContact C-N 3.28Å; V300-R302 HydrophobicContact CG2-CB 4.3Å; V300-R302 PolarHBondContact O-N 3.05Å
301	G	98.4	Very high	98.4	Very high	73 Å²	73	66.6 Å²	66.6	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	28.5	179.4	0	0	0	0	0	114.4	F297 E298	F297-G301 WeakPolarHBondContact O-CA 3.46Å; F297-G301 PolarHBondContact O-N 2.8Å; E298-G301 PolarHBondContact O-N 3.39Å
302	R	97.9	Very high	98.4	Very high	81 Å²	81	64.6 Å²	64.6	31%	0.306	34%	0.337	S	S	.	.			trans	-153.4	141.6	-177.4	170.1	-179.8	174.6	-168.5	0.2	110.7	I214 D216 F297 V300 F304	I214-R302 PolarHBondContact O-NH1 3.06Å; D216-R302 IonicContact OD2-NH2 3.45Å; F297-R302 VanDerWaalsContact CA-O 3.26Å; F297-R302 WeakPolarHBondContact CA-O 3.5Å; F297-R302 WeakPolarHBondContact CB-O 3.25Å; F297-R302 WeakPolarHBondContact CD1-O 3.35Å; F297-R302 PolarHBondContact O-N 3.47Å; V300-R302 VanDerWaalsContact C-N 3.28Å; V300-R302 HydrophobicContact CG2-CB 4.3Å; V300-R302 PolarHBondContact O-N 3.05Å; R302-F304 HydrophobicContact CG-CE2 4.05Å; R302-F304 HydrophobicContact CG-CZ 4.31Å
303	T	98.4	Very high	98.4	Very high	106 Å²	106	67.7 Å²	67.7	65%	0.65	35%	0.352	S	S	*	.			trans	-97.4	158.7	172.3	56.5	0	0	0	0	112.4	F297	F297-T303 HydrophobicContact CB-CG2 4.12Å; F297-T303 HydrophobicContact CD2-CG2 4.01Å; F297-T303 HydrophobicContact CG-CG2 4.11Å
304	F	98.4	Very high	98.3	Very high	14 Å²	14	72.1 Å²	72.1	6%	0.061	38%	0.375	C	S	.	.			trans	-129.7	149.5	172.2	-63.1	-100.4	0	0	0	108.3	I214 D216 F296 F297 R302 W306	I214-F304 HydrophobicContact CB-CZ 4.26Å; I214-F304 HydrophobicContact CG2-CE1 4.18Å; I214-F304 HydrophobicContact CG2-CE2 4.4Å; I214-F304 HydrophobicContact CG2-CZ 3.55Å; D216-F304 HydrophobicContact CB-CD1 4.12Å; D216-F304 HydrophobicContact CB-CE1 3.94Å; F296-F304 HydrophobicContact CE1-CD2 4.25Å; F296-F304 AromaticContact CE1-CE2 3.84Å; F296-F304 HydrophobicContact CE1-CE2 3.84Å; F297-F304 HydrophobicContact CD1-CD2 4.03Å; F297-F304 HydrophobicContact CE1-CB 3.98Å; F297-F304 AromaticContact CE1-CD2 3.76Å; F297-F304 HydrophobicContact CE1-CD2 3.76Å; F297-F304 HydrophobicContact CE1-CG 4.36Å; F297-F304 HydrophobicContact CZ-CB 4.36Å; R302-F304 HydrophobicContact CG-CE2 4.05Å; R302-F304 HydrophobicContact CG-CZ 4.31Å; F304-W306 VanDerWaalsContact C-N 3.28Å; F304-W306 HydrophobicContact CB-CD2 3.72Å; F304-W306 HydrophobicContact CB-CE3 4.31Å; F304-W306 HydrophobicContact CB-CG 4.08Å; F304-W306 HydrophobicContact CB-CH2 4.26Å; F304-W306 HydrophobicContact CB-CZ2 3.68Å; F304-W306 HydrophobicContact CD1-CZ2 4.03Å; F304-W306 HydrophobicContact CD2-CH2 4.03Å; F304-W306 HydrophobicContact CD2-CZ2 4.03Å; F304-W306 AromaticContact CG-CE2 3.89Å; F304-W306 HydrophobicContact CG-CH2 4.12Å; F304-W306 AromaticContact CG-CZ2 3.64Å; F304-W306 HydrophobicContact CG-CZ2 3.64Å; F304-W306 PolarHBondContact O-N 2.85Å
305	D	97.9	Very high	98.3	Very high	142 Å²	142	71.4 Å²	71.4	76%	0.759	38%	0.377	S	S	*	.			trans	-82.7	75.8	-179.2	-171.5	27.3	0	0	0	109.6
306	W	98.3	Very high	98.2	Very high	26 Å²	26	68.1 Å²	68.1	10%	0.098	37%	0.368	C	S	.	.			trans	-109.2	158.9	179	-61.8	-21.8	0	0	0	110.2	L146 D148 Y196 D218 N293 F296 F297 F304	L146-W306 HydrophobicContact CB-CH2 4.35Å; L146-W306 HydrophobicContact CB-CZ2 4.04Å; L146-W306 HydrophobicContact CD1-CH2 4.27Å; D148-W306 VanDerWaalsContact CA-CD1 3.46Å; D148-W306 HydrophobicContact CB-CG 4.27Å; Y196-W306 AromaticContact CD2-CH2 3.53Å; Y196-W306 HydrophobicContact CD2-CH2 3.53Å; Y196-W306 HydrophobicContact CD2-CZ2 4.41Å; Y196-W306 AromaticContact CD2-CZ3 3.76Å; Y196-W306 HydrophobicContact CD2-CZ3 3.76Å; Y196-W306 AromaticContact CE2-CH2 3.64Å; Y196-W306 HydrophobicContact CE2-CH2 3.64Å; Y196-W306 HydrophobicContact CE2-CZ2 4.1Å; Y196-W306 AromaticContact CE2-CZ3 3.99Å; Y196-W306 HydrophobicContact CE2-CZ3 3.99Å; D218-W306 PolarHBondContact OD2-NE1 2.65Å; N293-W306 HydrophobicContact CB-CE3 4.28Å; F296-W306 AromaticContact CD1-CH2 3.89Å; F296-W306 HydrophobicContact CD1-CH2 3.89Å; F296-W306 AromaticContact CD1-CZ3 3.92Å; F296-W306 HydrophobicContact CD1-CZ3 3.92Å; F296-W306 AromaticContact CE1-CH2 3.85Å; F296-W306 HydrophobicContact CE1-CH2 3.85Å; F296-W306 HydrophobicContact CE1-CZ3 4.36Å; F297-W306 HydrophobicContact CD1-CZ3 4.49Å; F297-W306 HydrophobicContact CE1-CD2 4.3Å; F297-W306 AromaticContact CE1-CE3 3.55Å; F297-W306 HydrophobicContact CE1-CE3 3.55Å; F297-W306 HydrophobicContact CE1-CH2 4.22Å; F297-W306 AromaticContact CE1-CZ3 3.5Å; F297-W306 HydrophobicContact CE1-CZ3 3.5Å; F297-W306 HydrophobicContact CZ-CD2 4.27Å; F297-W306 AromaticContact CZ-CE3 3.62Å; F297-W306 HydrophobicContact CZ-CE3 3.62Å; F297-W306 HydrophobicContact CZ-CZ3 4.06Å; F304-W306 VanDerWaalsContact C-N 3.28Å; F304-W306 HydrophobicContact CB-CD2 3.72Å; F304-W306 HydrophobicContact CB-CE3 4.31Å; F304-W306 HydrophobicContact CB-CG 4.08Å; F304-W306 HydrophobicContact CB-CH2 4.26Å; F304-W306 HydrophobicContact CB-CZ2 3.68Å; F304-W306 HydrophobicContact CD1-CZ2 4.03Å; F304-W306 HydrophobicContact CD2-CH2 4.03Å; F304-W306 HydrophobicContact CD2-CZ2 4.03Å; F304-W306 AromaticContact CG-CE2 3.89Å; F304-W306 HydrophobicContact CG-CH2 4.12Å; F304-W306 AromaticContact CG-CZ2 3.64Å; F304-W306 HydrophobicContact CG-CZ2 3.64Å; F304-W306 PolarHBondContact O-N 2.85Å
307	H	95.7	Very high	98.2	Very high	119 Å²	119	74.2 Å²	74.2	55%	0.551	40%	0.401	S	S	*	.			trans	-63.4	0	176.6	-56.6	86.2	0	0	0	112.9	D148 H286	D148-H307 IonicContact OD1-ND1 2.74Å; D148-H307 IonicContact OD2-CE1 2.84Å; D148-H307 IonicContact OD2-CG 2.71Å; D148-H307 PolarHBondContact OD2-N 3.36Å; D148-H307 IonicContact OD2-ND1 3.16Å; D148-H307 PolarHBondContact OD2-ND1 2.95Å; H286-H307 HydrophobicContact CB-CB 3.96Å; H286-H307 AromaticContact CE1-CD2 3.29Å; H286-H307 PolarHBondContact CE1-CD2 2.82Å; H286-H307 AromaticContact CE1-CG 3.46Å; H286-H307 VanDerWaalsContact CE1-CG 3.46Å; H286-H307 AromaticContact CE1-NE2 3.81Å; H286-H307 WeakPolarHBondContact ND1-CB 3.42Å; H286-H307 AromaticContact ND1-CD2 3.61Å; H286-H307 AromaticContact ND1-CG 3.64Å; H286-H307 AromaticContact NE2-CG 3.85Å

Retrieved 307 of 307 residues in 134.3 ms (Link to these results)

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