A0A087XHU1_POEFO Loading...

Lysosomal Pro-X carboxypeptidase

Cleaves C-terminal amino acids linked to proline in peptides such as angiotensin II, III and des-Arg9-bradykinin. This cleavage occurs at acidic pH, but enzymatic activity is retained with some substrates at neutral pH.

AlphaFold DB , UniProt , Accession A0A087XHU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 aa.

Structure Viewer

Loading PAE data...

(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	30.2	Very low	27.1	Very low	251 Å²	251	151.4 Å²	151.4	100%	1.236	87%	0.873	S	S	*	*				0	138.9	0	-88.1	174.1	171.6	0	0	108.1
2	M	27.4	Very low	27.1	Very low	190 Å²	190	145.4 Å²	145.4	94%	0.936	86%	0.855	S	S	*	*			trans	-31.1	164.3	172.1	-66	-160.6	-106.6	0	0	115.8
3	A	27.5	Very low	26.9	Very low	99 Å²	99	141.6 Å²	141.6	82%	0.818	85%	0.851	S	S	*	*			cis	-176.7	160.4	-6.4	0	0	0	0	0	102
4	G	26.4	Very low	26.7	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	84%	0.84	S	S	*	*			cis	160.1	166.1	44.8	0	0	0	0	0	107.2
5	G	25.3	Very low	26.5	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	84%	0.836	S	S	*	*			trans	-73.2	170.9	-157.3	0	0	0	0	0	119.2
6	R	26.5	Very low	26.3	Very low	251 Å²	251	138.1 Å²	138.1	95%	0.947	83%	0.83	S	S	*	*				179.7	150.2	104.8	-96.6	-178.3	178.8	-171.7	-0.4	112.6
7	S	25.5	Very low	26.2	Very low	112 Å²	112	137 Å²	137	78%	0.783	82%	0.823	S	S	*	*			trans	78.4	113.6	153.6	-145.4	0	0	0	0	120.1
8	L	29.2	Very low	26.1	Very low	151 Å²	151	135.9 Å²	135.9	79%	0.791	82%	0.817	S	S	*	*			trans	-58.2	145.1	154.4	-79.2	84.3	0	0	0	110
9	D	25.3	Very low	25.9	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	82%	0.815	S	S	*	*			trans	-169.4	92.2	139.1	-89.9	-27.1	0	0	0	109.5
10	T	29.2	Very low	25.8	Very low	137 Å²	137	135.5 Å²	135.5	84%	0.84	81%	0.814	S	S	*	*			trans	-92.3	107.3	162.6	29.2	0	0	0	0	108.3	A12	T10-A12 PolarHBondContact O-N 3.39Å; T10-A12 VanDerWaalsContact O-N 3.12Å
11	I	26.1	Very low	25.9	Very low	166 Å²	166	135.5 Å²	135.5	85%	0.851	81%	0.809	S	S	*	*			trans	-73.2	98	169.3	-63.2	173.3	0	0	0	107.6
12	A	26.4	Very low	25.7	Very low	80 Å²	80	128.4 Å²	128.4	66%	0.661	79%	0.79	S	S	*	*			trans	-86.2	117.1	159.8	0	0	0	0	0	107.8	T10 T14	T10-A12 PolarHBondContact O-N 3.39Å; T10-A12 VanDerWaalsContact O-N 3.12Å; A12-T14 PolarHBondContact O-N 3.26Å
13	A	24.9	Very low	25.9	Very low	96 Å²	96	123.5 Å²	123.5	79%	0.793	77%	0.773	S	S	*	*			trans	-73.4	92.8	174.3	0	0	0	0	0	109.6	S15	A13-S15 PolarHBondContact O-N 2.8Å
14	T	24.4	Very low	25.9	Very low	115 Å²	115	123.5 Å²	123.5	71%	0.706	76%	0.759	S	S	*	*			trans	-81.5	111.1	171.4	-42.3	0	0	0	0	108.7	A12 I16	A12-T14 PolarHBondContact O-N 3.26Å; T14-I16 PolarHBondContact O-N 3.28Å
15	S	23.9	Very low	26.3	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	75%	0.753	S	S	*	*			trans	-70.1	106.5	167.5	-65	0	0	0	0	108.5	A13 V17	A13-S15 PolarHBondContact O-N 2.8Å; S15-V17 PolarHBondContact O-N 3.13Å
16	I	23.4	Very low	26.5	Very low	144 Å²	144	127.8 Å²	127.8	74%	0.738	75%	0.745	S	S	*	*			trans	-79.8	98.4	173.2	-63.8	172.9	0	0	0	107	T14 T18	T14-I16 PolarHBondContact O-N 3.28Å; I16-T18 PolarHBondContact O-N 3.29Å
17	V	24	Very low	26.5	Very low	119 Å²	119	121.8 Å²	121.8	72%	0.721	74%	0.736	S	S	*	*			trans	-76.1	106.5	162.8	175.1	0	0	0	0	106.7	S15 L19	S15-V17 PolarHBondContact O-N 3.13Å; V17-L19 HydrophobicContact CG1-CD1 4.37Å; V17-L19 PolarHBondContact O-N 3.08Å
18	T	23.6	Very low	26.5	Very low	117 Å²	117	121.7 Å²	121.7	72%	0.718	74%	0.736	S	S	*	*			trans	-71	93.4	172.8	-27.8	0	0	0	0	108.2	I16 C20	I16-T18 PolarHBondContact O-N 3.29Å; T18-C20 PolarHBondContact O-N 3.32Å
19	L	23.9	Very low	26.2	Very low	146 Å²	146	122.6 Å²	122.6	76%	0.764	74%	0.74	S	S	*	*			trans	-64.2	96.7	164.7	-113.3	94.9	0	0	0	107.7	V17 L21	V17-L19 HydrophobicContact CG1-CD1 4.37Å; V17-L19 PolarHBondContact O-N 3.08Å; L19-L21 PolarHBondContact O-N 3Å; L19-L21 VanDerWaalsContact O-N 3.15Å
20	C	23.7	Very low	26.1	Very low	118 Å²	118	124.7 Å²	124.7	80%	0.797	74%	0.742	S	S	*	*			trans	-69.3	106.1	161.7	-89.7	0	0	0	0	107.4	T18 A22	T18-C20 PolarHBondContact O-N 3.32Å; C20-A22 VanDerWaalsContact C-N 3.34Å; C20-A22 PolarHBondContact O-N 3Å
21	L	26.6	Very low	25.9	Very low	136 Å²	136	122.8 Å²	122.8	71%	0.712	73%	0.734	S	S	*	*			trans	-58.3	91.5	170.8	-75.9	149.5	0	0	0	110	L19 C23	L19-L21 PolarHBondContact O-N 3Å; L19-L21 VanDerWaalsContact O-N 3.15Å; L21-C23 HydrophobicContact CB-CB 4.44Å; L21-C23 HydrophobicContact CD2-CB 4.05Å; L21-C23 PolarHBondContact O-N 3.4Å; L21-C23 VanDerWaalsContact O-N 3.14Å
22	A	26.5	Very low	25.8	Very low	102 Å²	102	123.1 Å²	123.1	84%	0.843	73%	0.732	S	S	*	*			trans	-77.3	67.3	149.8	0	0	0	0	0	107.4	C20	C20-A22 VanDerWaalsContact C-N 3.34Å; C20-A22 PolarHBondContact O-N 3Å
23	C	31.6	Very low	25.7	Very low	86 Å²	86	126 Å²	126	58%	0.581	74%	0.736	S	S	*	*			trans	-128.5	104	174.2	-71.1	0	0	0	0	106.2	L21	L21-C23 HydrophobicContact CB-CB 4.44Å; L21-C23 HydrophobicContact CD2-CB 4.05Å; L21-C23 PolarHBondContact O-N 3.4Å; L21-C23 VanDerWaalsContact O-N 3.14Å
24	L	27.8	Very low	25.7	Very low	100 Å²	100	130.3 Å²	130.3	52%	0.524	74%	0.737	S	S	.	*			trans	-173.8	66.2	149	-95.7	165.1	0	0	0	107.9	N273	L24-N273 HydrophobicContact CD1-CB 3.68Å; L24-N273 WeakPolarHBondContact CD1-ND2 3.32Å
25	H	35.6	Very low	25.7	Very low	138 Å²	138	130.7 Å²	130.7	64%	0.639	74%	0.74	S	S	*	*	S	Bend	trans	-107.3	126.6	159.2	-75.4	-63.5	0	0	0	108.4	E397	H25-E397 WeakPolarHBondContact CB-OE1 3.46Å; H25-E397 IonicContact CD2-OE1 3.87Å; H25-E397 IonicContact CG-OE1 2.81Å
26	V	29.6	Very low	25.9	Very low	104 Å²	104	136.9 Å²	136.9	63%	0.63	75%	0.746	S	S	*	*			trans	65.8	78.4	167.2	-159.7	0	0	0	0	116.9
27	T	26.2	Very low	26.3	Very low	124 Å²	124	138.6 Å²	138.6	76%	0.761	76%	0.756	S	S	*	*			trans	-136.4	99.3	148.1	56	0	0	0	0	110.8
28	S	23.9	Very low	26.5	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	76%	0.759	S	S	*	*			trans	158.9	84.1	140.3	176.2	0	0	0	0	110.9
29	L	23.8	Very low	27.1	Very low	170 Å²	170	134.7 Å²	134.7	89%	0.89	76%	0.763	S	S	*	*			trans	-114.7	100.8	155.5	-107.2	88.1	0	0	0	109
30	K	23.9	Very low	27.5	Very low	200 Å²	200	136 Å²	136	87%	0.87	77%	0.77	S	S	*	*			trans	-113.5	110.1	146.5	-84.4	-171.6	176.1	-178	0	106.5	Q32	K30-Q32 PolarHBondContact O-N 2.94Å
31	S	24.9	Very low	28.3	Very low	97 Å²	97	141.8 Å²	141.8	68%	0.678	78%	0.775	S	S	*	*			trans	-62.7	116.3	172.3	149	0	0	0	0	109.4
32	Q	23.6	Very low	28.7	Very low	172 Å²	172	146.1 Å²	146.1	80%	0.804	78%	0.783	S	S	*	*			trans	-103.5	111.6	155.3	-74.6	-164.6	-21.7	0	0	107.9	K30 F34	K30-Q32 PolarHBondContact O-N 2.94Å; Q32-F34 PolarHBondContact O-N 3.3Å
33	L	23.7	Very low	29.2	Very low	142 Å²	142	146.8 Å²	146.8	74%	0.743	78%	0.777	S	S	*	*			trans	-64.4	117.9	171.9	-84.5	105	0	0	0	109.8
34	F	25.7	Very low	29.6	Very low	185 Å²	185	149.7 Å²	149.7	81%	0.811	79%	0.792	S	S	*	*			trans	-130.7	98.8	149.4	-84	-77.3	0	0	0	109	Q32 R36	Q32-F34 PolarHBondContact O-N 3.3Å; F34-R36 PolarHBondContact O-N 3.26Å
35	T	24.8	Very low	30.6	Very low	124 Å²	124	149.4 Å²	149.4	76%	0.761	79%	0.788	S	S	*	*			trans	-63.6	115.9	162.4	12.4	0	0	0	0	108.7
36	R	26.7	Very low	31.4	Very low	239 Å²	239	147.3 Å²	147.3	90%	0.902	79%	0.787	S	S	*	*			trans	-123	107.3	157.9	-87.3	-168.7	174.5	-155.9	-0.2	109.6	F34 G38	F34-R36 PolarHBondContact O-N 3.26Å; R36-G38 PolarHBondContact O-N 3.39Å
37	L	32.8	Very low	33	Very low	181 Å²	181	148.2 Å²	148.2	95%	0.948	80%	0.795	S	S	*	*			trans	-61.9	120.1	160.7	-80.3	112.3	0	0	0	108.7
38	G	27.7	Very low	35.8	Very low	77 Å²	77	144.5 Å²	144.5	79%	0.794	77%	0.77	S	S	*	*			trans	-142.1	82.7	170	0	0	0	0	0	108.6	R36	R36-G38 PolarHBondContact O-N 3.39Å
39	G	35.4	Very low	39	Very low	77 Å²	77	142.6 Å²	142.6	79%	0.794	76%	0.757	S	S	*	*			trans	-75.4	133.9	176.3	0	0	0	0	0	111.5
40	L	32.8	Very low	42.5	Very low	173 Å²	173	137.6 Å²	137.6	91%	0.906	73%	0.726	S	S	*	*			trans	-132.7	117	154.7	-87.4	164.2	0	0	0	108
41	R	41.5	Very low	46	Very low	239 Å²	239	133.3 Å²	133.3	90%	0.902	71%	0.708	S	S	*	*			trans	-78.9	125.1	174.9	-73.6	175.5	170.7	174.9	-3.6	108.9
42	Y	34.3	Very low	49.5	Very low	228 Å²	228	131.7 Å²	131.7	89%	0.894	69%	0.694	S	S	*	*			trans	-158.8	108.5	144.4	-114.7	-81.6	0	0	0	110.4
43	T	36.9	Very low	53.1	Low	115 Å²	115	126.6 Å²	126.6	71%	0.706	67%	0.672	S	S	*	*			trans	174.1	141.6	132.1	32.8	0	0	0	0	108.1	E45	T43-E45 PolarHBondContact O-N 3.17Å
44	T	39.3	Very low	56.7	Low	148 Å²	148	124.8 Å²	124.8	91%	0.908	66%	0.656	S	S	*	*			trans	-74.6	58.8	176.4	49.9	0	0	0	0	110.4
45	E	49.6	Very low	60.1	Low	93 Å²	93	117.2 Å²	117.2	44%	0.435	62%	0.623	S	S	.	*			trans	-79	138.6	163.9	-69	-166.4	167.2	0	0	108.1	T43	T43-E45 PolarHBondContact O-N 3.17Å
46	P	53	Low	63.7	Low	95 Å²	95	115.3 Å²	115.3	62%	0.617	61%	0.608	S	S	*	*			trans	-54.1	135	171.3	22.8	-30.2	0	0	0	108	I48	P46-I48 PolarHBondContact O-N 2.69Å
47	P	61.7	Low	67.1	Low	123 Å²	123	104 Å²	104	80%	0.799	57%	0.565	S	S	*	*			trans	-58.6	112.6	-176.2	21.5	-31	0	0	0	109.3	S49	P47-S49 PolarHBondContact O-N 3.41Å; P47-S49 VanDerWaalsContact O-N 3.16Å
48	I	85.1	Confident	70.2	Confident	45 Å²	45	98.9 Å²	98.9	23%	0.231	54%	0.535	C	S	.	.			trans	-59.7	119	171.7	-58.9	179.3	0	0	0	106.7	P46 Y50 N103 W109 Y465	P46-I48 PolarHBondContact O-N 2.69Å; I48-Y50 HydrophobicContact CG2-CD1 3.61Å; I48-Y50 HydrophobicContact CG2-CE1 3.76Å; I48-N103 HydrophobicContact CD1-CB 4.46Å; I48-W109 HydrophobicContact CG2-CD2 4.29Å; I48-W109 HydrophobicContact CG2-CE3 4.49Å; I48-W109 HydrophobicContact CG2-CH2 3.5Å; I48-W109 HydrophobicContact CG2-CZ2 3.25Å; I48-W109 HydrophobicContact CG2-CZ3 4.12Å; I48-Y465 HydrophobicContact CD1-CE2 4.23Å; I48-Y465 WeakPolarHBondContact CD1-OH 3.2Å; I48-Y465 VanDerWaalsContact CG1-OH 3.25Å; I48-Y465 WeakPolarHBondContact CG1-OH 3.4Å
49	S	92.4	Very high	73.6	Confident	71 Å²	71	95.5 Å²	95.5	50%	0.497	50%	0.499	S	S	.	.			trans	-124.8	112.9	-179	-171.1	0	0	0	0	109.3	P47 A77	P47-S49 PolarHBondContact O-N 3.41Å; P47-S49 VanDerWaalsContact O-N 3.16Å; S49-A77 WeakPolarHBondContact O-CB 3.28Å
50	Y	96.8	Very high	76.6	Confident	65 Å²	65	93.1 Å²	93.1	26%	0.255	47%	0.468	S	S	.	.			trans	-134.1	159.4	174.5	51.5	-103	0	0	0	110.4	I48 L75 V76 C102 W109	I48-Y50 HydrophobicContact CG2-CD1 3.61Å; I48-Y50 HydrophobicContact CG2-CE1 3.76Å; Y50-L75 HydrophobicContact CD1-CD1 4.36Å; Y50-L75 HydrophobicContact CD2-CB 3.97Å; Y50-L75 HydrophobicContact CD2-CD1 4.01Å; Y50-L75 HydrophobicContact CD2-CD2 3.89Å; Y50-L75 HydrophobicContact CD2-CG 4.18Å; Y50-L75 HydrophobicContact CE1-CD1 4.21Å; Y50-L75 HydrophobicContact CE2-CD1 3.82Å; Y50-L75 HydrophobicContact CE2-CD2 3.84Å; Y50-L75 HydrophobicContact CE2-CG 4.29Å; Y50-L75 HydrophobicContact CG-CB 4.1Å; Y50-L75 HydrophobicContact CG-CD1 4.29Å; Y50-V76 CarbonylContact C-O 3.55Å; Y50-V76 VanDerWaalsContact CA-O 3.32Å; Y50-V76 WeakPolarHBondContact CA-O 3.38Å; Y50-V76 WeakPolarHBondContact CB-O 3.47Å; Y50-C102 WeakPolarHBondContact CD1-SG 3.18Å; Y50-C102 WeakPolarHBondContact CE1-SG 3.11Å; Y50-W109 HydrophobicContact CD1-CH2 4.13Å; Y50-W109 HydrophobicContact CD1-CZ2 4.14Å
51	K	97.9	Very high	79.7	Confident	111 Å²	111	87.2 Å²	87.2	48%	0.483	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.3	167.1	-62.7	165.8	-172.2	150	0	108.3	L53 L75 V76 D78	K51-L53 HydrophobicContact CB-CG 4.42Å; K51-L75 WeakPolarHBondContact O-CA 3.45Å; K51-V76 PolarHBondContact N-O 2.85Å; K51-V76 PolarHBondContact O-N 3.34Å; K51-D78 IonicContact NZ-OD1 3.31Å; K51-D78 PolarHBondContact NZ-OD1 3.14Å; K51-D78 IonicContact NZ-OD2 3.75Å; K51-D78 PolarHBondContact NZ-OD2 3.48Å
52	T	98.5	Very high	82.4	Confident	63 Å²	63	81.5 Å²	81.5	39%	0.387	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.5	168.2	-56	0	0	0	0	108.9	Y54 R73 L75	T52-Y54 HydrophobicContact CG2-CE2 4.08Å; T52-R73 HydrophobicContact CG2-CG 3.88Å; T52-L75 HydrophobicContact CG2-CD2 4Å
53	L	98.6	Very high	85.4	Confident	65 Å²	65	71.9 Å²	71.9	34%	0.34	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	163	-179.1	-61.4	175.8	0	0	0	109.7	K51 R73 Y74 V76	K51-L53 HydrophobicContact CB-CG 4.42Å; L53-R73 WeakPolarHBondContact O-CA 3.27Å; L53-Y74 HydrophobicContact CB-CD1 4.03Å; L53-Y74 HydrophobicContact CB-CD2 4.39Å; L53-Y74 HydrophobicContact CB-CE1 3.47Å; L53-Y74 VanDerWaalsContact CB-CE1 3.47Å; L53-Y74 HydrophobicContact CB-CE2 3.91Å; L53-Y74 HydrophobicContact CB-CG 4.45Å; L53-Y74 HydrophobicContact CD1-CE2 3.81Å; L53-Y74 WeakPolarHBondContact CD1-OH 3.42Å; L53-Y74 HydrophobicContact CG-CE2 4.47Å; L53-Y74 PolarHBondContact N-O 2.95Å; L53-Y74 PolarHBondContact O-N 2.68Å; L53-Y74 VanDerWaalsContact O-O 3.08Å; L53-V76 HydrophobicContact CD1-CB 4.31Å; L53-V76 HydrophobicContact CD1-CG2 3.86Å
54	Y	98.6	Very high	88.2	Confident	103 Å²	103	76 Å²	76	40%	0.404	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.8	176.6	-59.8	-96.5	0	0	0	110	T52 K71 Q72 R73 E129	T52-Y54 HydrophobicContact CG2-CE2 4.08Å; Y54-K71 HydrophobicContact CD1-CB 3.99Å; Y54-K71 HydrophobicContact CG-CB 4.43Å; Y54-Q72 CarbonylContact C-O 3.17Å; Y54-Q72 VanDerWaalsContact CA-O 3.29Å; Y54-Q72 WeakPolarHBondContact CA-O 3.26Å; Y54-R73 HydrophobicContact CD1-CB 3.92Å; Y54-R73 HydrophobicContact CD1-CG 4.29Å; Y54-R73 HydrophobicContact CE1-CB 3.73Å; Y54-R73 HydrophobicContact CE1-CG 3.8Å; Y54-E129 PolarHBondContact OH-OE2 2.78Å
55	F	98.6	Very high	90.7	Very high	27 Å²	27	77.6 Å²	77.6	12%	0.118	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.2	176.5	175.7	-115.7	0	0	0	109.9	Q57 K71 Q72 Y74 V158 L159 N162	F55-Q57 HydrophobicContact CD1-CB 4.12Å; F55-Q57 HydrophobicContact CE1-CB 4.38Å; F55-Q57 PolarHBondContact O-N 3.14Å; F55-Q57 VanDerWaalsContact O-N 3.09Å; F55-K71 WeakPolarHBondContact O-CA 3.41Å; F55-Q72 PolarHBondContact N-O 3.15Å; F55-Q72 PolarHBondContact O-N 2.81Å; F55-Y74 HydrophobicContact CB-CD1 4.33Å; F55-Y74 HydrophobicContact CB-CE1 4.01Å; F55-V158 HydrophobicContact CE1-CG1 3.71Å; F55-V158 HydrophobicContact CZ-CG1 3.73Å; F55-L159 HydrophobicContact CB-CD1 3.69Å; F55-L159 HydrophobicContact CD1-CB 4.4Å; F55-L159 HydrophobicContact CD1-CD1 4.04Å; F55-L159 HydrophobicContact CD2-CD1 4.5Å; F55-L159 HydrophobicContact CG-CD1 3.82Å; F55-N162 HydrophobicContact CD2-CB 4.2Å; F55-N162 WeakPolarHBondContact CD2-ND2 3.48Å; F55-N162 HydrophobicContact CE2-CB 3.63Å; F55-N162 WeakPolarHBondContact CE2-ND2 3.41Å; F55-N162 HydrophobicContact CZ-CB 4.01Å
56	D	98.5	Very high	92.7	Very high	84 Å²	84	76.2 Å²	76.2	45%	0.449	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	95.8	172.8	-74.6	-50.5	0	0	0	109.5	K71	D56-K71 VanDerWaalsContact OD1-CD 3.24Å; D56-K71 WeakPolarHBondContact OD1-CD 3.32Å; D56-K71 WeakPolarHBondContact OD1-CE 3.39Å; D56-K71 IonicContact OD1-NZ 3.45Å; D56-K71 PolarHBondContact OD1-NZ 2.83Å; D56-K71 IonicContact OD2-NZ 3.83Å; D56-K71 PolarHBondContact OD2-NZ 3.34Å
57	Q	98.6	Very high	94.4	Very high	1 Å²	1	77.3 Å²	77.3	1%	0.005	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.3	-174.9	-174.3	58.4	-88.2	0	0	111.1	F55 H61 T69 F70 Q72 D155	F55-Q57 HydrophobicContact CD1-CB 4.12Å; F55-Q57 HydrophobicContact CE1-CB 4.38Å; F55-Q57 PolarHBondContact O-N 3.14Å; F55-Q57 VanDerWaalsContact O-N 3.09Å; Q57-H61 PolarHBondContact OE1-CE1 3.37Å; Q57-H61 PolarHBondContact OE1-NE2 3.42Å; Q57-T69 CarbonylContact O-C 3.57Å; Q57-T69 WeakPolarHBondContact O-CA 3.29Å; Q57-T69 WeakPolarHBondContact O-CB 3.49Å; Q57-F70 HydrophobicContact CB-CD1 4Å; Q57-F70 HydrophobicContact CB-CE1 3.6Å; Q57-F70 HydrophobicContact CB-CZ 3.95Å; Q57-F70 HydrophobicContact CG-CD1 4.35Å; Q57-F70 HydrophobicContact CG-CE1 3.53Å; Q57-F70 HydrophobicContact CG-CZ 3.88Å; Q57-F70 PolarHBondContact N-O 3.18Å; Q57-F70 WeakPolarHBondContact O-CD1 3.44Å; Q57-F70 PolarHBondContact O-N 3.13Å; Q57-Q72 HydrophobicContact CB-CB 3.89Å; Q57-Q72 HydrophobicContact CG-CB 4.46Å; Q57-D155 HydrophobicContact CG-CB 4.18Å; Q57-D155 WeakPolarHBondContact CG-OD1 3.2Å; Q57-D155 PolarHBondContact NE2-O 2.93Å; Q57-D155 VanDerWaalsContact NE2-O 3.11Å
58	K	98.4	Very high	96	Very high	73 Å²	73	72.7 Å²	72.7	32%	0.317	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.8	173.7	-71.7	-75.2	173.2	-178.4	0	110.6	D60 D67 T69 R125	K58-D60 VanDerWaalsContact C-N 3.33Å; K58-D67 PolarHBondContact NZ-O 3.32Å; K58-D67 IonicContact NZ-OD1 2.67Å; K58-D67 PolarHBondContact NZ-OD1 3.13Å; K58-D67 IonicContact NZ-OD2 3.73Å; K58-T69 HydrophobicContact CD-CG2 4.15Å; K58-R125 PolarHBondContact O-NH2 3.29Å
59	I	98.6	Very high	96.7	Very high	7 Å²	7	74 Å²	74	4%	0.036	38%	0.377	C	S	.	.	S	Bend	trans	-65.3	-42.3	174.1	-69.9	175.1	0	0	0	109.9	Q66 G68 F70 R125 P132 F133 Y146	I59-Q66 HydrophobicContact CB-CG 4.22Å; I59-Q66 HydrophobicContact CG2-CG 3.9Å; I59-G68 PolarHBondContact N-O 3.31Å; I59-F70 HydrophobicContact CG1-CB 4.48Å; I59-F70 HydrophobicContact CG1-CD1 4.1Å; I59-R125 PolarHBondContact O-NH1 2.75Å; I59-R125 PolarHBondContact O-NH2 3.18Å; I59-P132 HydrophobicContact CG1-CB 4.36Å; I59-F133 HydrophobicContact CD1-CD1 4.48Å; I59-F133 HydrophobicContact CD1-CE1 3.9Å; I59-F133 HydrophobicContact CD1-CZ 4.26Å; I59-F133 HydrophobicContact CG2-CE1 4.33Å; I59-F133 HydrophobicContact CG2-CE2 4.3Å; I59-F133 HydrophobicContact CG2-CZ 3.66Å; I59-Y146 HydrophobicContact CG2-CD1 4Å; I59-Y146 HydrophobicContact CG2-CD2 3.92Å; I59-Y146 HydrophobicContact CG2-CE1 4.15Å; I59-Y146 HydrophobicContact CG2-CE2 4.07Å; I59-Y146 HydrophobicContact CG2-CG 3.87Å
60	D	98.5	Very high	97	Very high	27 Å²	27	71 Å²	71	14%	0.144	36%	0.355	C	S	.	.			trans	-127	118.9	-179.1	-166.1	-5.3	0	0	0	111.2	K58 F62 G63 Q66 Y146 Q151	K58-D60 VanDerWaalsContact C-N 3.33Å; D60-F62 PolarHBondContact OD1-N 3.29Å; D60-G63 PolarHBondContact OD1-N 3.15Å; D60-G63 VanDerWaalsContact OD2-CA 3.3Å; D60-G63 WeakPolarHBondContact OD2-CA 3.37Å; D60-G63 PolarHBondContact OD2-N 2.99Å; D60-Q66 HydrophobicContact CB-CB 4.19Å; D60-Q66 HydrophobicContact CB-CG 4.43Å; D60-Y146 HydrophobicContact CB-CD1 3.78Å; D60-Y146 HydrophobicContact CB-CE1 3.69Å; D60-Q151 PolarHBondContact OD1-NE2 3.44Å
61	H	98.4	Very high	97.1	Very high	49 Å²	49	73 Å²	73	23%	0.227	37%	0.365	C	S	.	.	S	Bend	trans	-90.5	-14.9	174	-67.5	-77.9	0	0	0	113.7	Q57 R125 Q151 A154 D155	Q57-H61 PolarHBondContact OE1-CE1 3.37Å; Q57-H61 PolarHBondContact OE1-NE2 3.42Å; H61-R125 PolarHBondContact CD2-NH2 3.16Å; H61-Q151 PolarHBondContact CD2-OE1 2.86Å; H61-Q151 VanDerWaalsContact CD2-OE1 3.29Å; H61-A154 HydrophobicContact CB-CB 3.78Å; H61-D155 IonicContact CD2-OD1 3.08Å; H61-D155 PolarHBondContact CD2-OD1 3.34Å; H61-D155 IonicContact CE1-OD1 2.8Å; H61-D155 IonicContact NE2-OD1 3.23Å; H61-D155 PolarHBondContact NE2-OD1 3.3Å
62	F	98.1	Very high	97.1	Very high	118 Å²	118	67.8 Å²	67.8	52%	0.518	34%	0.342	S	S	.	.	S	Bend	trans	-112.8	-16.1	-171	-58	-76	0	0	0	113	D60 E150 Q151 A154	D60-F62 PolarHBondContact OD1-N 3.29Å; F62-E150 HydrophobicContact CE2-CB 3.76Å; F62-E150 HydrophobicContact CZ-CB 3.64Å; F62-Q151 HydrophobicContact CD2-CG 3.97Å; F62-Q151 HydrophobicContact CE2-CB 4.42Å; F62-Q151 HydrophobicContact CE2-CG 3.95Å; F62-A154 HydrophobicContact CE2-CB 4.46Å; F62-A154 HydrophobicContact CZ-CB 4.25Å
63	G	96.6	Very high	97.1	Very high	26 Å²	26	65.1 Å²	65.1	27%	0.268	33%	0.325	S	S	.	.			trans	-112.6	149.3	169.8	0	0	0	0	0	112.6	D60	D60-G63 PolarHBondContact OD1-N 3.15Å; D60-G63 VanDerWaalsContact OD2-CA 3.3Å; D60-G63 WeakPolarHBondContact OD2-CA 3.37Å; D60-G63 PolarHBondContact OD2-N 2.99Å
64	F	95.4	Very high	97.1	Very high	202 Å²	202	62.7 Å²	62.7	89%	0.886	31%	0.312	S	S	*	.	S	Bend	trans	-103.9	-7	-180	-69.3	-93.7	0	0	0	113.8
65	L	93.1	Very high	97.2	Very high	182 Å²	182	57.8 Å²	57.8	95%	0.953	29%	0.292	S	S	*	.	S	Bend	trans	-77.7	-34.5	-179.6	-67	177.1	0	0	0	112.1
66	Q	90.5	Very high	97.2	Very high	64 Å²	64	57.1 Å²	57.1	30%	0.299	29%	0.291	S	S	.	.			trans	-96	95	178	179.8	58.8	26.6	0	0	109.7	I59 D60 Y146	I59-Q66 HydrophobicContact CB-CG 4.22Å; I59-Q66 HydrophobicContact CG2-CG 3.9Å; D60-Q66 HydrophobicContact CB-CB 4.19Å; D60-Q66 HydrophobicContact CB-CG 4.43Å; Q66-Y146 HydrophobicContact CB-CE1 4.48Å; Q66-Y146 HydrophobicContact CG-CE1 4.31Å
67	D	89.7	Confident	97.1	Very high	118 Å²	118	53.4 Å²	53.4	63%	0.631	27%	0.272	S	S	*	.			trans	-93.6	6.7	-177.2	-160	29.5	0	0	0	114.1	K58	K58-D67 PolarHBondContact NZ-O 3.32Å; K58-D67 IonicContact NZ-OD1 2.67Å; K58-D67 PolarHBondContact NZ-OD1 3.13Å; K58-D67 IonicContact NZ-OD2 3.73Å
68	G	96.1	Very high	97	Very high	25 Å²	25	55.9 Å²	55.9	26%	0.258	29%	0.285	S	S	.	.			trans	-64.7	159	-178.8	0	0	0	0	0	113.6	I59	I59-G68 PolarHBondContact N-O 3.31Å
69	T	98.4	Very high	96.8	Very high	72 Å²	72	57.9 Å²	57.9	44%	0.442	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	160.7	176.5	57.7	0	0	0	0	111.3	Q57 K58	Q57-T69 CarbonylContact O-C 3.57Å; Q57-T69 WeakPolarHBondContact O-CA 3.29Å; Q57-T69 WeakPolarHBondContact O-CB 3.49Å; K58-T69 HydrophobicContact CD-CG2 4.15Å
70	F	98.7	Very high	96.6	Very high	10 Å²	10	61.3 Å²	61.3	4%	0.044	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162.7	173.4	77.6	-77.6	0	0	0	110.9	Q57 I59 Q72 R125 P132	Q57-F70 HydrophobicContact CB-CD1 4Å; Q57-F70 HydrophobicContact CB-CE1 3.6Å; Q57-F70 HydrophobicContact CB-CZ 3.95Å; Q57-F70 HydrophobicContact CG-CD1 4.35Å; Q57-F70 HydrophobicContact CG-CE1 3.53Å; Q57-F70 HydrophobicContact CG-CZ 3.88Å; Q57-F70 PolarHBondContact N-O 3.18Å; Q57-F70 WeakPolarHBondContact O-CD1 3.44Å; Q57-F70 PolarHBondContact O-N 3.13Å; I59-F70 HydrophobicContact CG1-CB 4.48Å; I59-F70 HydrophobicContact CG1-CD1 4.1Å; F70-Q72 HydrophobicContact CE2-CB 4.04Å; F70-Q72 HydrophobicContact CZ-CB 4.23Å; F70-Q72 PolarHBondContact O-N 3.15Å; F70-R125 HydrophobicContact CE2-CB 4.38Å; F70-R125 HydrophobicContact CZ-CB 3.89Å; F70-P132 HydrophobicContact CB-CB 4.42Å; F70-P132 HydrophobicContact CD1-CB 4.19Å; F70-P132 HydrophobicContact CD1-CG 4.2Å; F70-P132 HydrophobicContact CD2-CB 4.49Å; F70-P132 HydrophobicContact CD2-CG 4.15Å; F70-P132 HydrophobicContact CE1-CG 4.19Å; F70-P132 HydrophobicContact CE2-CG 4.15Å; F70-P132 HydrophobicContact CG-CB 4.13Å; F70-P132 HydrophobicContact CG-CG 4.2Å; F70-P132 HydrophobicContact CZ-CG 4.17Å
71	K	98.7	Very high	96.6	Very high	107 Å²	107	60.8 Å²	60.8	47%	0.465	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.2	177.5	-65.3	-63.1	-175.9	-174.7	0	109.9	Y54 F55 D56	Y54-K71 HydrophobicContact CD1-CB 3.99Å; Y54-K71 HydrophobicContact CG-CB 4.43Å; F55-K71 WeakPolarHBondContact O-CA 3.41Å; D56-K71 VanDerWaalsContact OD1-CD 3.24Å; D56-K71 WeakPolarHBondContact OD1-CD 3.32Å; D56-K71 WeakPolarHBondContact OD1-CE 3.39Å; D56-K71 IonicContact OD1-NZ 3.45Å; D56-K71 PolarHBondContact OD1-NZ 2.83Å; D56-K71 IonicContact OD2-NZ 3.83Å; D56-K71 PolarHBondContact OD2-NZ 3.34Å
72	Q	98.9	Very high	96.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	120.1	168	-175.8	-178.4	19.9	0	0	109.4	Y54 F55 Q57 F70 E123	Y54-Q72 CarbonylContact C-O 3.17Å; Y54-Q72 VanDerWaalsContact CA-O 3.29Å; Y54-Q72 WeakPolarHBondContact CA-O 3.26Å; F55-Q72 PolarHBondContact N-O 3.15Å; F55-Q72 PolarHBondContact O-N 2.81Å; Q57-Q72 HydrophobicContact CB-CB 3.89Å; Q57-Q72 HydrophobicContact CG-CB 4.46Å; F70-Q72 HydrophobicContact CE2-CB 4.04Å; F70-Q72 HydrophobicContact CZ-CB 4.23Å; F70-Q72 PolarHBondContact O-N 3.15Å; Q72-E123 PolarHBondContact NE2-O 2.66Å
73	R	98.9	Very high	96.2	Very high	8 Å²	8	62.1 Å²	62.1	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	139.8	176.1	-170.7	167.6	65.6	155.2	5.7	110.3	T52 L53 Y54 D97 I98 E123 E129 S130	T52-R73 HydrophobicContact CG2-CG 3.88Å; L53-R73 WeakPolarHBondContact O-CA 3.27Å; Y54-R73 HydrophobicContact CD1-CB 3.92Å; Y54-R73 HydrophobicContact CD1-CG 4.29Å; Y54-R73 HydrophobicContact CE1-CB 3.73Å; Y54-R73 HydrophobicContact CE1-CG 3.8Å; R73-D97 IonicContact CZ-OD2 3.59Å; R73-D97 IonicContact NH1-OD2 2.94Å; R73-D97 IonicContact NH2-OD1 3.36Å; R73-D97 PolarHBondContact NH2-OD1 2.92Å; R73-D97 VanDerWaalsContact NH2-OD1 3.08Å; R73-D97 IonicContact NH2-OD2 3.35Å; R73-D97 PolarHBondContact NH2-OD2 2.98Å; R73-I98 HydrophobicContact CG-CG2 4.47Å; R73-E123 HydrophobicContact CB-CB 4.19Å; R73-E123 WeakPolarHBondContact CB-OE2 3.23Å; R73-E123 IonicContact CZ-OE1 3.79Å; R73-E123 IonicContact CZ-OE2 3.82Å; R73-E123 IonicContact NE-OE1 3.58Å; R73-E123 PolarHBondContact NE-OE1 3.04Å; R73-E123 IonicContact NE-OE2 2.78Å; R73-E123 PolarHBondContact NE-OE2 2.83Å; R73-E123 IonicContact NH2-OE1 2.68Å; R73-E123 PolarHBondContact NH2-OE1 3.1Å; R73-E123 IonicContact NH2-OE2 2.77Å; R73-E123 WeakPolarHBondContact O-CB 3.48Å; R73-E123 PolarHBondContact O-N 3.45Å; R73-E129 IonicContact CZ-OE1 3.76Å; R73-E129 IonicContact NH1-OE1 2.69Å; R73-E129 PolarHBondContact NH1-OE1 3.07Å; R73-E129 IonicContact NH1-OE2 2.71Å; R73-S130 WeakPolarHBondContact CB-OG 3.25Å; R73-S130 PolarHBondContact N-OG 2.7Å
74	Y	98.9	Very high	96	Very high	13 Å²	13	64.7 Å²	64.7	5%	0.051	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.3	168.7	69.5	-75	0	0	0	110.6	L53 F55 V76 V120 F121 L159 I163	L53-Y74 HydrophobicContact CB-CD1 4.03Å; L53-Y74 HydrophobicContact CB-CD2 4.39Å; L53-Y74 HydrophobicContact CB-CE1 3.47Å; L53-Y74 VanDerWaalsContact CB-CE1 3.47Å; L53-Y74 HydrophobicContact CB-CE2 3.91Å; L53-Y74 HydrophobicContact CB-CG 4.45Å; L53-Y74 HydrophobicContact CD1-CE2 3.81Å; L53-Y74 WeakPolarHBondContact CD1-OH 3.42Å; L53-Y74 HydrophobicContact CG-CE2 4.47Å; L53-Y74 PolarHBondContact N-O 2.95Å; L53-Y74 PolarHBondContact O-N 2.68Å; L53-Y74 VanDerWaalsContact O-O 3.08Å; F55-Y74 HydrophobicContact CB-CD1 4.33Å; F55-Y74 HydrophobicContact CB-CE1 4.01Å; Y74-V76 HydrophobicContact CD2-CG2 3.48Å; Y74-V76 VanDerWaalsContact CD2-CG2 3.48Å; Y74-V76 HydrophobicContact CE2-CG2 3.32Å; Y74-V120 HydrophobicContact CD2-CG1 4.13Å; Y74-F121 CarbonylContact C-O 3.55Å; Y74-F121 WeakPolarHBondContact CA-O 3.47Å; Y74-F121 WeakPolarHBondContact CB-O 3.28Å; Y74-L159 HydrophobicContact CD1-CD1 3.98Å; Y74-L159 HydrophobicContact CD1-CD2 4.4Å; Y74-L159 HydrophobicContact CD2-CD1 4.48Å; Y74-L159 HydrophobicContact CE1-CD1 3.99Å; Y74-L159 HydrophobicContact CE2-CD1 4.46Å; Y74-L159 HydrophobicContact CG-CD1 4.25Å; Y74-L159 HydrophobicContact CG-CD2 4.09Å; Y74-I163 HydrophobicContact CD2-CD1 4.3Å; Y74-I163 HydrophobicContact CE2-CD1 4.01Å; Y74-I163 HydrophobicContact CE2-CG1 4.34Å
75	L	98.8	Very high	96	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.6	179.5	-43.8	178.8	0	0	0	109.1	Y50 K51 T52 I98 T99 C102 V120 F121	Y50-L75 HydrophobicContact CD1-CD1 4.36Å; Y50-L75 HydrophobicContact CD2-CB 3.97Å; Y50-L75 HydrophobicContact CD2-CD1 4.01Å; Y50-L75 HydrophobicContact CD2-CD2 3.89Å; Y50-L75 HydrophobicContact CD2-CG 4.18Å; Y50-L75 HydrophobicContact CE1-CD1 4.21Å; Y50-L75 HydrophobicContact CE2-CD1 3.82Å; Y50-L75 HydrophobicContact CE2-CD2 3.84Å; Y50-L75 HydrophobicContact CE2-CG 4.29Å; Y50-L75 HydrophobicContact CG-CB 4.1Å; Y50-L75 HydrophobicContact CG-CD1 4.29Å; K51-L75 WeakPolarHBondContact O-CA 3.45Å; T52-L75 HydrophobicContact CG2-CD2 4Å; L75-I98 HydrophobicContact CD1-CG2 4.07Å; L75-I98 HydrophobicContact CD2-CG2 4.2Å; L75-I98 HydrophobicContact CG-CG2 3.95Å; L75-T99 HydrophobicContact CD1-CG2 4.21Å; L75-C102 HydrophobicContact CD1-CB 3.64Å; L75-V120 CarbonylContact O-C 3.56Å; L75-V120 VanDerWaalsContact O-CA 3.29Å; L75-V120 WeakPolarHBondContact O-CA 3.46Å; L75-F121 HydrophobicContact CB-CB 4.17Å; L75-F121 HydrophobicContact CD1-CB 4.39Å; L75-F121 HydrophobicContact CG-CB 4.38Å; L75-F121 PolarHBondContact N-O 2.88Å; L75-F121 PolarHBondContact O-N 2.86Å
76	V	98.4	Very high	96.2	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133	177.9	-178.4	0	0	0	0	110.9	Y50 K51 L53 Y74 M118 L119 V120	Y50-V76 CarbonylContact C-O 3.55Å; Y50-V76 VanDerWaalsContact CA-O 3.32Å; Y50-V76 WeakPolarHBondContact CA-O 3.38Å; Y50-V76 WeakPolarHBondContact CB-O 3.47Å; K51-V76 PolarHBondContact N-O 2.85Å; K51-V76 PolarHBondContact O-N 3.34Å; L53-V76 HydrophobicContact CD1-CB 4.31Å; L53-V76 HydrophobicContact CD1-CG2 3.86Å; Y74-V76 HydrophobicContact CD2-CG2 3.48Å; Y74-V76 VanDerWaalsContact CD2-CG2 3.48Å; Y74-V76 HydrophobicContact CE2-CG2 3.32Å; V76-M118 HydrophobicContact CG1-CG 4Å; V76-M118 HydrophobicContact CG1-SD 3.77Å; V76-L119 WeakPolarHBondContact CA-O 3.5Å; V76-V120 HydrophobicContact CG2-CG2 4.38Å
77	A	97.9	Very high	96.6	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.9	166.1	0	0	0	0	0	110.1	S49 W109 L119	S49-A77 WeakPolarHBondContact O-CB 3.28Å; A77-W109 HydrophobicContact CB-CH2 3.54Å; A77-W109 HydrophobicContact CB-CZ3 3.53Å; A77-L119 HydrophobicContact CB-CB 4.24Å; A77-L119 PolarHBondContact N-O 2.97Å; A77-L119 PolarHBondContact O-N 2.92Å
78	D	96	Very high	97	Very high	53 Å²	53	39.3 Å²	39.3	28%	0.283	21%	0.209	S	C	.	.			trans	-113.1	4	-174.1	53.7	-7.8	0	0	0	113.1	K51 H80 W81 M118	K51-D78 IonicContact NZ-OD1 3.31Å; K51-D78 PolarHBondContact NZ-OD1 3.14Å; K51-D78 IonicContact NZ-OD2 3.75Å; K51-D78 PolarHBondContact NZ-OD2 3.48Å; D78-H80 PolarHBondContact O-N 3.1Å; D78-W81 HydrophobicContact CB-CB 4.36Å; D78-W81 WeakPolarHBondContact O-CB 3.44Å; D78-W81 PolarHBondContact O-N 3.46Å; D78-M118 HydrophobicContact CB-CG 4.38Å; D78-M118 HydrophobicContact CB-SD 4.43Å
79	N	93.6	Very high	97.2	Very high	114 Å²	114	38.1 Å²	38.1	61%	0.61	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.3	-175.7	-64.7	-21.5	0	0	0	114.3
80	H	95.3	Very high	97.2	Very high	80 Å²	80	34.7 Å²	34.7	37%	0.37	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	0.8	179.7	-62.3	-60.3	0	0	0	113.6	D78 Q82 A112 G116	D78-H80 PolarHBondContact O-N 3.1Å; H80-Q82 PolarHBondContact O-N 3.07Å; H80-A112 HydrophobicContact CB-CB 4.49Å; H80-G116 CarbonylContact O-C 3.48Å; H80-G116 WeakPolarHBondContact O-CA 3.4Å
81	W	97.5	Very high	97.2	Very high	16 Å²	16	34.4 Å²	34.4	6%	0.061	17%	0.174	C	C	.	.			trans	-73.6	115.7	-171.2	-175.6	46	0	0	0	111.6	D78 Q83 G86 G116 M118 V167 P168 A170	D78-W81 HydrophobicContact CB-CB 4.36Å; D78-W81 WeakPolarHBondContact O-CB 3.44Å; D78-W81 PolarHBondContact O-N 3.46Å; W81-Q83 HydrophobicContact CD2-CG 3.87Å; W81-Q83 HydrophobicContact CE3-CG 3.49Å; W81-Q83 VanDerWaalsContact CE3-CG 3.49Å; W81-Q83 VanDerWaalsContact CE3-NE2 3.27Å; W81-Q83 HydrophobicContact CH2-CG 3.83Å; W81-Q83 HydrophobicContact CZ2-CG 4.21Å; W81-Q83 VanDerWaalsContact CZ3-CD 3.5Å; W81-Q83 HydrophobicContact CZ3-CG 3.48Å; W81-Q83 VanDerWaalsContact CZ3-CG 3.48Å; W81-Q83 PolarHBondContact O-N 2.9Å; W81-G86 VanDerWaalsContact NE1-C 3.27Å; W81-G86 PolarHBondContact NE1-O 3.01Å; W81-G116 WeakPolarHBondContact CA-O 3.08Å; W81-M118 HydrophobicContact CB-CB 3.88Å; W81-M118 VanDerWaalsContact CD1-N 3.3Å; W81-M118 HydrophobicContact CD2-CB 4.05Å; W81-M118 HydrophobicContact CE3-SD 4.45Å; W81-M118 HydrophobicContact CG-CB 3.6Å; W81-V167 HydrophobicContact CH2-CG1 3.66Å; W81-V167 HydrophobicContact CZ3-CG1 3.5Å; W81-V167 VanDerWaalsContact CZ3-CG1 3.5Å; W81-P168 WeakPolarHBondContact CH2-O 3.39Å; W81-A170 HydrophobicContact CH2-CB 3.78Å; W81-A170 HydrophobicContact CZ2-CB 3.87Å
82	Q	96.4	Very high	97.2	Very high	75 Å²	75	29.3 Å²	29.3	35%	0.35	15%	0.152	S	C	.	.			trans	-83	102.9	-179.5	-71.8	177.6	12.7	0	0	110.1	H80 G86 G116	H80-Q82 PolarHBondContact O-N 3.07Å; Q82-G86 WeakPolarHBondContact O-CA 3.39Å; Q82-G86 PolarHBondContact O-N 3.05Å; Q82-G116 PolarHBondContact N-O 2.82Å
83	Q	91.8	Very high	97.2	Very high	120 Å²	120	29.4 Å²	29.4	56%	0.561	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	151.2	179.1	-63.6	179.6	19.3	0	0	112.7	W81	W81-Q83 HydrophobicContact CD2-CG 3.87Å; W81-Q83 HydrophobicContact CE3-CG 3.49Å; W81-Q83 VanDerWaalsContact CE3-CG 3.49Å; W81-Q83 VanDerWaalsContact CE3-NE2 3.27Å; W81-Q83 HydrophobicContact CH2-CG 3.83Å; W81-Q83 HydrophobicContact CZ2-CG 4.21Å; W81-Q83 VanDerWaalsContact CZ3-CD 3.5Å; W81-Q83 HydrophobicContact CZ3-CG 3.48Å; W81-Q83 VanDerWaalsContact CZ3-CG 3.48Å; W81-Q83 PolarHBondContact O-N 2.9Å
84	P	93.9	Very high	97.2	Very high	80 Å²	80	29.1 Å²	29.1	52%	0.519	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.9	158.8	-12.3	35	-34.7	0	0	0	111.7	G86	P84-G86 VanDerWaalsContact C-N 3.3Å; P84-G86 PolarHBondContact O-N 3.13Å
85	N	95.2	Very high	97.1	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.112	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	25.1	170.6	-46.7	-62.5	0	0	0	115.5	G169 N172	N85-G169 WeakPolarHBondContact CA-O 3.25Å; N85-G169 PolarHBondContact N-O 3.24Å; N85-G169 PolarHBondContact OD1-O 3.41Å; N85-N172 HydrophobicContact CB-CB 4.38Å; N85-N172 WeakPolarHBondContact OD1-CA 3.36Å; N85-N172 WeakPolarHBondContact OD1-CB 3.27Å; N85-N172 PolarHBondContact OD1-N 2.81Å
86	G	97.2	Very high	97	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	16%	0.156	C	C	.	.			trans	-57	149.4	164.7	0	0	0	0	0	110.6	W81 Q82 P84 S173	W81-G86 VanDerWaalsContact NE1-C 3.27Å; W81-G86 PolarHBondContact NE1-O 3.01Å; Q82-G86 WeakPolarHBondContact O-CA 3.39Å; Q82-G86 PolarHBondContact O-N 3.05Å; P84-G86 VanDerWaalsContact C-N 3.3Å; P84-G86 PolarHBondContact O-N 3.13Å; G86-S173 WeakPolarHBondContact O-CB 3.48Å; G86-S173 PolarHBondContact O-OG 3.43Å; G86-S173 VanDerWaalsContact O-OG 3.09Å
87	P	98.5	Very high	96.9	Very high	4 Å²	4	30.8 Å²	30.8	3%	0.026	16%	0.161	C	C	.	.			trans	-61	157.1	-177.6	25.4	-34.2	0	0	0	112.8	L115 A117 M118 P174 I489	P87-L115 WeakPolarHBondContact CD-O 3.34Å; P87-L115 HydrophobicContact CG-CB 4.15Å; P87-L115 VanDerWaalsContact CG-O 3.27Å; P87-L115 WeakPolarHBondContact CG-O 3.45Å; P87-A117 HydrophobicContact CB-CB 4.38Å; P87-A117 HydrophobicContact CG-CB 3.8Å; P87-A117 CarbonylContact O-C 3.53Å; P87-A117 WeakPolarHBondContact O-CA 3.41Å; P87-M118 PolarHBondContact O-N 2.98Å; P87-P174 CarbonylContact C-O 3.59Å; P87-P174 VanDerWaalsContact CA-O 3.28Å; P87-P174 WeakPolarHBondContact CA-O 3.45Å; P87-P174 HydrophobicContact CB-CG 4.15Å; P87-I489 HydrophobicContact CB-CD1 3.68Å; P87-I489 HydrophobicContact CB-CG1 3.98Å; P87-I489 HydrophobicContact CG-CD1 3.87Å
88	I	98.9	Very high	96.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.2	168	-54.4	176.1	0	0	0	107.5	M118 V120 I163 P174 V175 I176	I88-M118 CarbonylContact C-O 3.43Å; I88-M118 WeakPolarHBondContact CA-O 3.36Å; I88-M118 HydrophobicContact CD1-CE 3.5Å; I88-M118 HydrophobicContact CG1-CB 4.48Å; I88-M118 HydrophobicContact CG1-CE 3.63Å; I88-M118 HydrophobicContact CG2-CE 4.29Å; I88-V120 HydrophobicContact CG2-CB 4.25Å; I88-V120 HydrophobicContact CG2-CG2 3.69Å; I88-I163 HydrophobicContact CD1-CG2 4.24Å; I88-P174 PolarHBondContact N-O 2.98Å; I88-V175 HydrophobicContact CB-CB 4.45Å; I88-V175 HydrophobicContact CB-CG1 4.13Å; I88-V175 HydrophobicContact CB-CG2 4.09Å; I88-V175 HydrophobicContact CD1-CG2 4.2Å; I88-V175 HydrophobicContact CG1-CG2 4.46Å; I88-V175 HydrophobicContact CG2-CG1 4.29Å; I88-V175 CarbonylContact O-C 3.55Å; I88-V175 VanDerWaalsContact O-CA 3.3Å; I88-V175 WeakPolarHBondContact O-CA 3.32Å; I88-I176 PolarHBondContact O-N 3.3Å
89	L	98.9	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.2	166.4	-53.9	-176	0	0	0	107.5	M108 V111 L115 A117 M118 L119 V120 I176 I178	L89-M108 HydrophobicContact CB-CE 3.91Å; L89-V111 HydrophobicContact CD1-CG2 3.56Å; L89-L115 HydrophobicContact CD1-CD1 4.22Å; L89-L115 HydrophobicContact CD2-CD1 4.17Å; L89-A117 HydrophobicContact CD1-CB 4.17Å; L89-A117 HydrophobicContact CG-CB 3.81Å; L89-M118 PolarHBondContact N-O 3.01Å; L89-L119 HydrophobicContact CB-CD2 3.74Å; L89-L119 HydrophobicContact CD1-CD2 3.89Å; L89-L119 HydrophobicContact CG-CD2 4.18Å; L89-V120 PolarHBondContact O-N 3.23Å; L89-I176 HydrophobicContact CD2-CB 4.05Å; L89-I176 HydrophobicContact CD2-CD1 4.23Å; L89-I176 HydrophobicContact CD2-CG1 4.48Å; L89-I178 HydrophobicContact CB-CD1 4.01Å; L89-I178 HydrophobicContact CD1-CD1 4.39Å; L89-I178 HydrophobicContact CD2-CD1 4.27Å; L89-I178 HydrophobicContact CG-CD1 4.44Å
90	F	98.9	Very high	97	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.6	-170.7	-172.8	-83.1	0	0	0	109.8	T92 V120 A122 F156 L159 I160 V175 I176 A177 I178	F90-T92 HydrophobicContact CD1-CG2 4.03Å; F90-T92 HydrophobicContact CE1-CG2 4.07Å; F90-T92 PolarHBondContact O-N 3.04Å; F90-V120 CarbonylContact C-O 3.4Å; F90-V120 WeakPolarHBondContact CA-O 3.2Å; F90-V120 HydrophobicContact CD2-CB 3.79Å; F90-V120 HydrophobicContact CD2-CG1 3.59Å; F90-V120 HydrophobicContact CE2-CB 4.33Å; F90-V120 HydrophobicContact CE2-CG1 3.61Å; F90-A122 HydrophobicContact CE1-CB 3.85Å; F90-A122 HydrophobicContact CE2-CB 3.93Å; F90-A122 HydrophobicContact CZ-CB 3.29Å; F90-F156 HydrophobicContact CE1-CB 3.75Å; F90-F156 AromaticContact CE1-CD1 3.82Å; F90-F156 HydrophobicContact CE1-CD1 3.82Å; F90-F156 AromaticContact CE1-CG 3.81Å; F90-F156 HydrophobicContact CE1-CG 3.81Å; F90-F156 HydrophobicContact CZ-CB 3.9Å; F90-F156 AromaticContact CZ-CD1 3.89Å; F90-F156 HydrophobicContact CZ-CD1 3.89Å; F90-F156 HydrophobicContact CZ-CG 4.15Å; F90-L159 HydrophobicContact CE2-CD2 4.17Å; F90-L159 HydrophobicContact CE2-CG 4.48Å; F90-L159 HydrophobicContact CZ-CD2 4.21Å; F90-I160 HydrophobicContact CD1-CD1 4.09Å; F90-I160 HydrophobicContact CD2-CD1 3.78Å; F90-I160 HydrophobicContact CD2-CG1 3.51Å; F90-I160 HydrophobicContact CE1-CD1 4.2Å; F90-I160 HydrophobicContact CE2-CD1 3.9Å; F90-I160 HydrophobicContact CE2-CG1 3.42Å; F90-I160 VanDerWaalsContact CE2-CG1 3.42Å; F90-I160 HydrophobicContact CG-CD1 3.87Å; F90-I160 HydrophobicContact CG-CG1 4.14Å; F90-I160 HydrophobicContact CZ-CD1 4.09Å; F90-I160 HydrophobicContact CZ-CG1 3.99Å; F90-V175 HydrophobicContact CB-CG1 3.7Å; F90-V175 HydrophobicContact CG-CG1 4.5Å; F90-I176 PolarHBondContact N-O 2.82Å; F90-A177 CarbonylContact O-C 3.53Å; F90-A177 WeakPolarHBondContact O-CA 3.34Å; F90-I178 PolarHBondContact O-N 3.23Å
91	Y	98.9	Very high	97.1	Very high	5 Å²	5	22.6 Å²	22.6	2%	0.02	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.3	173.4	-168	-88.2	0	0	0	109.9	G93 N94 I98 F101 T105 M108 V120 F121 A122 I178	Y91-G93 PolarHBondContact O-N 3.39Å; Y91-N94 PolarHBondContact OH-OD1 3.31Å; Y91-N94 VanDerWaalsContact OH-OD1 3.13Å; Y91-I98 HydrophobicContact CD1-CD1 4.15Å; Y91-F101 HydrophobicContact CD1-CB 4.35Å; Y91-F101 HydrophobicContact CE1-CB 3.66Å; Y91-F101 HydrophobicContact CE1-CD1 4.47Å; Y91-F101 HydrophobicContact CE1-CD2 4.33Å; Y91-F101 AromaticContact CE1-CG 3.92Å; Y91-F101 HydrophobicContact CE1-CG 3.92Å; Y91-T105 HydrophobicContact CD2-CG2 3.94Å; Y91-T105 HydrophobicContact CE2-CG2 3.95Å; Y91-T105 WeakPolarHBondContact CE2-OG1 3.45Å; Y91-M108 HydrophobicContact CD2-SD 3.78Å; Y91-M108 HydrophobicContact CG-SD 4.33Å; Y91-V120 PolarHBondContact N-O 2.91Å; Y91-F121 AromaticContact CD1-CD1 3.91Å; Y91-F121 HydrophobicContact CD1-CD1 3.91Å; Y91-F121 HydrophobicContact CD1-CE1 4.45Å; Y91-F121 HydrophobicContact CD2-CD1 4.16Å; Y91-F121 AromaticContact CD2-CE1 3.92Å; Y91-F121 HydrophobicContact CD2-CE1 3.92Å; Y91-F121 AromaticContact CG-CD1 3.52Å; Y91-F121 HydrophobicContact CG-CD1 3.52Å; Y91-F121 AromaticContact CG-CE1 3.75Å; Y91-F121 HydrophobicContact CG-CE1 3.75Å; Y91-A122 PolarHBondContact O-N 3.44Å; Y91-A122 VanDerWaalsContact O-N 3.14Å; Y91-I178 CarbonylContact C-O 3.58Å; Y91-I178 WeakPolarHBondContact CA-O 3.33Å
92	T	98.9	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	92.4	173	52.3	0	0	0	0	108.6	F90 F156 A177 I178 G183 S187 F190	F90-T92 HydrophobicContact CD1-CG2 4.03Å; F90-T92 HydrophobicContact CE1-CG2 4.07Å; F90-T92 PolarHBondContact O-N 3.04Å; T92-F156 HydrophobicContact CG2-CD2 3.8Å; T92-F156 HydrophobicContact CG2-CE2 3.97Å; T92-F156 HydrophobicContact CG2-CG 4.41Å; T92-A177 HydrophobicContact CG2-CB 4.42Å; T92-I178 PolarHBondContact N-O 2.93Å; T92-I178 PolarHBondContact OG1-O 2.91Å; T92-G183 WeakPolarHBondContact O-CA 3.02Å; T92-G183 PolarHBondContact OG1-O 3.08Å; T92-S187 PolarHBondContact OG1-N 3.28Å; T92-S187 PolarHBondContact OG1-OG 3.27Å; T92-F190 HydrophobicContact CG2-CD1 4.3Å
93	G	98.8	Very high	97	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	12%	0.115	C	C	.	.			trans	-51.2	147.7	179.3	0	0	0	0	0	112.4	Y91 A122 H124 L186	Y91-G93 PolarHBondContact O-N 3.39Å; G93-A122 WeakPolarHBondContact CA-O 3.45Å; G93-A122 PolarHBondContact N-O 3.14Å; G93-H124 WeakPolarHBondContact O-CB 3.43Å; G93-H124 PolarHBondContact O-CD2 3.5Å; G93-L186 WeakPolarHBondContact O-CD1 3.21Å
94	N	98.1	Very high	97.1	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	9%	0.092	C	C	.	.			trans	-125.5	-147.5	-173	61.5	-71.1	0	0	0	110.6	Y91 G96 F101 H124 Y182 G183	Y91-N94 PolarHBondContact OH-OD1 3.31Å; Y91-N94 VanDerWaalsContact OH-OD1 3.13Å; N94-G96 PolarHBondContact O-N 3.37Å; N94-F101 HydrophobicContact CB-CZ 4.47Å; N94-F101 VanDerWaalsContact ND2-CE1 3.33Å; N94-F101 WeakPolarHBondContact ND2-CE1 3.42Å; N94-F101 WeakPolarHBondContact ND2-CZ 3.44Å; N94-F101 WeakPolarHBondContact OD1-CD1 3.42Å; N94-F101 WeakPolarHBondContact OD1-CE1 3.41Å; N94-F101 WeakPolarHBondContact OD1-CE2 3.42Å; N94-F101 WeakPolarHBondContact OD1-CZ 3.5Å; N94-H124 WeakPolarHBondContact O-CB 3.47Å; N94-Y182 HydrophobicContact CB-CD1 3.76Å; N94-Y182 HydrophobicContact CB-CG 4.39Å; N94-G183 VanDerWaalsContact CB-N 3.3Å
95	E	97.3	Very high	97.2	Very high	23 Å²	23	13 Å²	13	11%	0.107	7%	0.069	C	C	.	.	S	Bend	trans	-73.7	42.2	-165.2	70.3	-74.1	175.4	0	0	115.7	Y127 Y182 L358 G359 W363	E95-Y127 VanDerWaalsContact C-CE1 3.44Å; E95-Y127 HydrophobicContact CB-CD1 4.34Å; E95-Y127 HydrophobicContact CB-CE1 3.62Å; E95-Y182 WeakPolarHBondContact OE2-CB 3.25Å; E95-Y182 WeakPolarHBondContact OE2-CD1 3.47Å; E95-L358 WeakPolarHBondContact O-CA 3.4Å; E95-G359 PolarHBondContact O-N 3.46Å; E95-W363 HydrophobicContact CB-CB 4.31Å; E95-W363 HydrophobicContact CB-CD2 4.3Å; E95-W363 HydrophobicContact CB-CE3 3.83Å; E95-W363 HydrophobicContact CG-CD2 4.18Å; E95-W363 HydrophobicContact CG-CE3 4.04Å; E95-W363 HydrophobicContact CG-CG 4.42Å
96	G	95.6	Very high	97.3	Very high	2 Å²	2	12 Å²	12	2%	0.021	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-170.1	-175	-178.7	0	0	0	0	0	114.6	N94 I98 Y127 S357	N94-G96 PolarHBondContact O-N 3.37Å; G96-I98 PolarHBondContact O-N 2.84Å; G96-Y127 WeakPolarHBondContact O-CB 3.39Å; G96-S357 CarbonylContact C-O 3.45Å; G96-S357 WeakPolarHBondContact CA-O 3.49Å
97	D	96.8	Very high	97.3	Very high	36 Å²	36	12 Å²	12	19%	0.193	6%	0.062	C	C	.	.			trans	-63.4	130.6	178	-173.2	-68	0	0	0	111.5	R73 T99 W100 F101 S357	R73-D97 IonicContact CZ-OD2 3.59Å; R73-D97 IonicContact NH1-OD2 2.94Å; R73-D97 IonicContact NH2-OD1 3.36Å; R73-D97 PolarHBondContact NH2-OD1 2.92Å; R73-D97 VanDerWaalsContact NH2-OD1 3.08Å; R73-D97 IonicContact NH2-OD2 3.35Å; R73-D97 PolarHBondContact NH2-OD2 2.98Å; D97-T99 VanDerWaalsContact C-N 3.29Å; D97-T99 PolarHBondContact O-N 3.43Å; D97-T99 WeakPolarHBondContact OD1-CA 3.34Å; D97-T99 VanDerWaalsContact OD1-CB 3.24Å; D97-T99 WeakPolarHBondContact OD1-CB 3.38Å; D97-T99 WeakPolarHBondContact OD1-CG2 3.23Å; D97-T99 PolarHBondContact OD1-N 3.31Å; D97-T99 PolarHBondContact OD1-OG1 3.26Å; D97-W100 HydrophobicContact CB-CB 4.31Å; D97-W100 VanDerWaalsContact O-CB 3.25Å; D97-W100 WeakPolarHBondContact O-CB 3.31Å; D97-W100 PolarHBondContact O-N 3.29Å; D97-W100 VanDerWaalsContact O-N 3.14Å; D97-F101 VanDerWaalsContact O-CD2 3.31Å; D97-F101 WeakPolarHBondContact O-CD2 3.32Å; D97-F101 PolarHBondContact O-N 2.92Å; D97-S357 PolarHBondContact N-O 2.87Å
98	I	98.3	Very high	97.3	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-66.2	-28.1	-176.9	-161.9	57.1	0	0	0	114	R73 L75 Y91 G96 W100 F101 C102 F121 A122 E123	R73-I98 HydrophobicContact CG-CG2 4.47Å; L75-I98 HydrophobicContact CD1-CG2 4.07Å; L75-I98 HydrophobicContact CD2-CG2 4.2Å; L75-I98 HydrophobicContact CG-CG2 3.95Å; Y91-I98 HydrophobicContact CD1-CD1 4.15Å; G96-I98 PolarHBondContact O-N 2.84Å; I98-W100 VanDerWaalsContact C-N 3.27Å; I98-W100 PolarHBondContact O-N 2.95Å; I98-F101 HydrophobicContact CD1-CD2 4.39Å; I98-F101 PolarHBondContact O-N 2.91Å; I98-C102 WeakPolarHBondContact O-CB 3.41Å; I98-C102 PolarHBondContact O-N 2.94Å; I98-F121 HydrophobicContact CD1-CB 3.91Å; I98-F121 HydrophobicContact CG1-CB 3.72Å; I98-A122 WeakPolarHBondContact CD1-O 3.41Å; I98-E123 HydrophobicContact CB-CB 3.72Å; I98-E123 HydrophobicContact CB-CG 4Å; I98-E123 WeakPolarHBondContact CB-OE1 3.41Å; I98-E123 HydrophobicContact CG1-CB 4.22Å; I98-E123 HydrophobicContact CG2-CB 3.94Å; I98-E123 HydrophobicContact CG2-CG 4.34Å; I98-E123 WeakPolarHBondContact CG2-OE1 3.49Å; I98-E123 PolarHBondContact N-OE1 2.94Å
99	T	96.9	Very high	97.2	Very high	38 Å²	38	13.4 Å²	13.4	23%	0.233	7%	0.067	C	C	.	.	H	α-helix	trans	-67.7	-32.2	176.3	70.7	0	0	0	0	111.2	L75 D97 C102 N103	L75-T99 HydrophobicContact CD1-CG2 4.21Å; D97-T99 VanDerWaalsContact C-N 3.29Å; D97-T99 PolarHBondContact O-N 3.43Å; D97-T99 WeakPolarHBondContact OD1-CA 3.34Å; D97-T99 VanDerWaalsContact OD1-CB 3.24Å; D97-T99 WeakPolarHBondContact OD1-CB 3.38Å; D97-T99 WeakPolarHBondContact OD1-CG2 3.23Å; D97-T99 PolarHBondContact OD1-N 3.31Å; D97-T99 PolarHBondContact OD1-OG1 3.26Å; T99-C102 WeakPolarHBondContact O-CB 3.27Å; T99-C102 PolarHBondContact O-N 3.09Å; T99-N103 WeakPolarHBondContact O-CB 3.45Å; T99-N103 PolarHBondContact O-N 2.86Å; T99-N103 PolarHBondContact O-ND2 2.93Å
100	W	94.1	Very high	97.1	Very high	35 Å²	35	16.2 Å²	16.2	13%	0.133	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-48.6	174.6	174	-103.3	0	0	0	111.9	D97 I98 N103 N104 N299 F300	D97-W100 HydrophobicContact CB-CB 4.31Å; D97-W100 VanDerWaalsContact O-CB 3.25Å; D97-W100 WeakPolarHBondContact O-CB 3.31Å; D97-W100 PolarHBondContact O-N 3.29Å; D97-W100 VanDerWaalsContact O-N 3.14Å; I98-W100 VanDerWaalsContact C-N 3.27Å; I98-W100 PolarHBondContact O-N 2.95Å; W100-N103 PolarHBondContact O-N 2.94Å; W100-N104 PolarHBondContact O-N 2.72Å; W100-N104 PolarHBondContact O-ND2 2.86Å; W100-N299 VanDerWaalsContact CH2-O 3.31Å; W100-N299 WeakPolarHBondContact CH2-O 3.31Å; W100-F300 AromaticContact CE2-CD2 3.85Å; W100-F300 AromaticContact CE2-CE2 3.9Å; W100-F300 HydrophobicContact CH2-CD2 4.47Å; W100-F300 WeakPolarHBondContact CH2-O 2.83Å; W100-F300 VanDerWaalsContact CZ2-C 3.4Å; W100-F300 HydrophobicContact CZ2-CB 4.36Å; W100-F300 AromaticContact CZ2-CD2 3.43Å; W100-F300 HydrophobicContact CZ2-CD2 3.43Å; W100-F300 VanDerWaalsContact CZ2-CD2 3.43Å; W100-F300 AromaticContact CZ2-CE2 3.96Å; W100-F300 HydrophobicContact CZ2-CE2 3.96Å; W100-F300 HydrophobicContact CZ2-CG 4.07Å; W100-F300 WeakPolarHBondContact CZ2-O 2.87Å; W100-F300 AromaticContact NE1-CD2 3.81Å; W100-F300 AromaticContact NE1-CE2 3.37Å
101	F	97	Very high	97	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-66.6	-40.8	176.4	-60.6	-60.4	0	0	0	112	Y91 N94 D97 I98 N103 N104 T105 L358	Y91-F101 HydrophobicContact CD1-CB 4.35Å; Y91-F101 HydrophobicContact CE1-CB 3.66Å; Y91-F101 HydrophobicContact CE1-CD1 4.47Å; Y91-F101 HydrophobicContact CE1-CD2 4.33Å; Y91-F101 AromaticContact CE1-CG 3.92Å; Y91-F101 HydrophobicContact CE1-CG 3.92Å; N94-F101 HydrophobicContact CB-CZ 4.47Å; N94-F101 VanDerWaalsContact ND2-CE1 3.33Å; N94-F101 WeakPolarHBondContact ND2-CE1 3.42Å; N94-F101 WeakPolarHBondContact ND2-CZ 3.44Å; N94-F101 WeakPolarHBondContact OD1-CD1 3.42Å; N94-F101 WeakPolarHBondContact OD1-CE1 3.41Å; N94-F101 WeakPolarHBondContact OD1-CE2 3.42Å; N94-F101 WeakPolarHBondContact OD1-CZ 3.5Å; D97-F101 VanDerWaalsContact O-CD2 3.31Å; D97-F101 WeakPolarHBondContact O-CD2 3.32Å; D97-F101 PolarHBondContact O-N 2.92Å; I98-F101 HydrophobicContact CD1-CD2 4.39Å; I98-F101 PolarHBondContact O-N 2.91Å; F101-N103 VanDerWaalsContact C-N 3.29Å; F101-N103 PolarHBondContact O-N 3.35Å; F101-N104 PolarHBondContact O-N 3.01Å; F101-N104 VanDerWaalsContact O-N 3.12Å; F101-T105 WeakPolarHBondContact O-CB 3.37Å; F101-T105 PolarHBondContact O-N 3.27Å; F101-T105 PolarHBondContact O-OG1 3.47Å; F101-L358 HydrophobicContact CE1-CD2 4.44Å; F101-L358 HydrophobicContact CZ-CD2 4.05Å
102	C	97	Very high	96.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-54.5	-44.3	175	-177.8	0	0	0	0	112.5	Y50 L75 I98 T99 N104 W109 F121	Y50-C102 WeakPolarHBondContact CD1-SG 3.18Å; Y50-C102 WeakPolarHBondContact CE1-SG 3.11Å; L75-C102 HydrophobicContact CD1-CB 3.64Å; I98-C102 WeakPolarHBondContact O-CB 3.41Å; I98-C102 PolarHBondContact O-N 2.94Å; T99-C102 WeakPolarHBondContact O-CB 3.27Å; T99-C102 PolarHBondContact O-N 3.09Å; C102-N104 VanDerWaalsContact C-N 3.33Å; C102-N104 PolarHBondContact O-N 3.15Å; C102-W109 PolarHBondContact O-NE1 3.22Å; C102-W109 VanDerWaalsContact O-NE1 3.15Å; C102-W109 VanDerWaalsContact SG-CZ2 3.57Å; C102-F121 HydrophobicContact CB-CD1 4.11Å; C102-F121 HydrophobicContact CB-CD2 4.46Å; C102-F121 HydrophobicContact CB-CE1 4.36Å; C102-F121 HydrophobicContact CB-CG 4.19Å
103	N	94.9	Very high	96.6	Very high	68 Å²	68	22.4 Å²	22.4	36%	0.364	11%	0.11	S	C	.	.	H	α-helix	trans	-72	-24.5	179.5	-70.2	-13.9	0	0	0	113.5	I48 T99 W100 F101	I48-N103 HydrophobicContact CD1-CB 4.46Å; T99-N103 WeakPolarHBondContact O-CB 3.45Å; T99-N103 PolarHBondContact O-N 2.86Å; T99-N103 PolarHBondContact O-ND2 2.93Å; W100-N103 PolarHBondContact O-N 2.94Å; F101-N103 VanDerWaalsContact C-N 3.29Å; F101-N103 PolarHBondContact O-N 3.35Å
104	N	94.8	Very high	96.4	Very high	16 Å²	16	28.1 Å²	28.1	9%	0.086	14%	0.136	C	C	.	.	H	α-helix	trans	-102.1	-8.5	-176.6	-77.2	-84.1	0	0	0	114.2	W100 F101 C102 G106 F300 R464	W100-N104 PolarHBondContact O-N 2.72Å; W100-N104 PolarHBondContact O-ND2 2.86Å; F101-N104 PolarHBondContact O-N 3.01Å; F101-N104 VanDerWaalsContact O-N 3.12Å; C102-N104 VanDerWaalsContact C-N 3.33Å; C102-N104 PolarHBondContact O-N 3.15Å; N104-G106 PolarHBondContact O-N 3.21Å; N104-F300 HydrophobicContact CB-CD2 4.05Å; N104-F300 HydrophobicContact CB-CE2 4.08Å; N104-R464 PolarHBondContact OD1-NH1 2.99Å; N104-R464 PolarHBondContact OD1-NH2 3.43Å
105	T	97.1	Very high	96.4	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	14%	0.138	C	C	.	.			trans	-98.5	56.1	-179.2	-48.4	0	0	0	0	111.1	Y91 F101 F107 M108 F121 L463	Y91-T105 HydrophobicContact CD2-CG2 3.94Å; Y91-T105 HydrophobicContact CE2-CG2 3.95Å; Y91-T105 WeakPolarHBondContact CE2-OG1 3.45Å; F101-T105 WeakPolarHBondContact O-CB 3.37Å; F101-T105 PolarHBondContact O-N 3.27Å; F101-T105 PolarHBondContact O-OG1 3.47Å; T105-F107 VanDerWaalsContact C-N 3.25Å; T105-F107 PolarHBondContact O-N 3.33Å; T105-M108 HydrophobicContact CG2-CB 4.21Å; T105-M108 HydrophobicContact CG2-CG 3.76Å; T105-M108 HydrophobicContact CG2-SD 3.64Å; T105-M108 PolarHBondContact O-N 2.85Å; T105-F121 HydrophobicContact CG2-CE1 4.31Å; T105-L463 CarbonylContact C-O 3.57Å; T105-L463 VanDerWaalsContact CA-O 3.29Å; T105-L463 WeakPolarHBondContact CA-O 3.3Å; T105-L463 HydrophobicContact CG2-CB 4.24Å; T105-L463 HydrophobicContact CG2-CD2 4.39Å
106	G	96.4	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.6	-32.1	-175.9	0	0	0	0	0	115.1	N104 M108 W109 E110 L463 Y465	N104-G106 PolarHBondContact O-N 3.21Å; G106-M108 VanDerWaalsContact C-N 3.25Å; G106-M108 PolarHBondContact O-N 2.9Å; G106-W109 WeakPolarHBondContact O-CB 3.47Å; G106-W109 PolarHBondContact O-N 2.93Å; G106-E110 PolarHBondContact O-N 3.44Å; G106-E110 VanDerWaalsContact O-N 3.1Å; G106-L463 PolarHBondContact N-O 2.9Å; G106-Y465 VanDerWaalsContact CA-CG 3.46Å; G106-Y465 VanDerWaalsContact CA-CZ 3.41Å
107	F	98.1	Very high	96.6	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-55.4	-41.1	178.6	177.5	-118.1	0	0	0	112.3	T105 W109 E110 V111 L202 D462 L463 R464 R478 E481 F485	T105-F107 VanDerWaalsContact C-N 3.25Å; T105-F107 PolarHBondContact O-N 3.33Å; F107-W109 VanDerWaalsContact C-N 3.32Å; F107-W109 PolarHBondContact O-N 2.9Å; F107-E110 PolarHBondContact O-N 3.39Å; F107-V111 HydrophobicContact CD2-CG1 3.83Å; F107-V111 HydrophobicContact CE1-CG1 4.31Å; F107-V111 HydrophobicContact CE1-CG2 4.46Å; F107-V111 HydrophobicContact CE2-CG1 3.32Å; F107-V111 HydrophobicContact CZ-CG1 3.62Å; F107-V111 VanDerWaalsContact O-CG2 3.27Å; F107-V111 WeakPolarHBondContact O-CG2 3.45Å; F107-V111 PolarHBondContact O-N 3.36Å; F107-L202 HydrophobicContact CD1-CD2 4.4Å; F107-L202 HydrophobicContact CE1-CD2 4.08Å; F107-D462 WeakPolarHBondContact CB-O 3.49Å; F107-L463 WeakPolarHBondContact CB-O 3.18Å; F107-L463 HydrophobicContact CD1-CD2 4.44Å; F107-L463 PolarHBondContact N-O 3.49Å; F107-R464 PolarHBondContact N-O 2.93Å; F107-R478 HydrophobicContact CD2-CB 4.16Å; F107-R478 HydrophobicContact CD2-CG 3.82Å; F107-R478 HydrophobicContact CE2-CB 3.65Å; F107-R478 HydrophobicContact CE2-CG 3.79Å; F107-R478 HydrophobicContact CZ-CB 4.33Å; F107-R478 HydrophobicContact CZ-CG 4.48Å; F107-E481 HydrophobicContact CE1-CB 4.34Å; F107-E481 HydrophobicContact CZ-CB 4.06Å; F107-F485 HydrophobicContact CE1-CE2 4.02Å; F107-F485 HydrophobicContact CE1-CZ 4.46Å
108	M	98.1	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60	-42.5	177.3	-78.1	-179.5	59.5	0	0	112	L89 Y91 T105 G106 A112 L119 F121 I178	L89-M108 HydrophobicContact CB-CE 3.91Å; Y91-M108 HydrophobicContact CD2-SD 3.78Å; Y91-M108 HydrophobicContact CG-SD 4.33Å; T105-M108 HydrophobicContact CG2-CB 4.21Å; T105-M108 HydrophobicContact CG2-CG 3.76Å; T105-M108 HydrophobicContact CG2-SD 3.64Å; T105-M108 PolarHBondContact O-N 2.85Å; G106-M108 VanDerWaalsContact C-N 3.25Å; G106-M108 PolarHBondContact O-N 2.9Å; M108-A112 WeakPolarHBondContact O-CB 3.32Å; M108-A112 PolarHBondContact O-N 3.06Å; M108-L119 HydrophobicContact CB-CD2 4.15Å; M108-L119 HydrophobicContact CE-CD2 4.05Å; M108-F121 HydrophobicContact CB-CZ 4.23Å; M108-F121 HydrophobicContact CE-CE1 4.12Å; M108-F121 HydrophobicContact CE-CE2 3.92Å; M108-F121 HydrophobicContact CE-CZ 3.69Å; M108-F121 HydrophobicContact SD-CE1 3.9Å; M108-F121 HydrophobicContact SD-CZ 3.79Å; M108-I178 HydrophobicContact CE-CD1 4.46Å; M108-I178 HydrophobicContact CG-CD1 3.71Å; M108-I178 HydrophobicContact CG-CG2 4.2Å; M108-I178 HydrophobicContact SD-CB 3.95Å; M108-I178 HydrophobicContact SD-CD1 4Å; M108-I178 HydrophobicContact SD-CG2 3.89Å
109	W	97.3	Very high	96.7	Very high	35 Å²	35	25.8 Å²	25.8	13%	0.133	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-44.4	176.7	-65.1	96.5	0	0	0	112	I48 Y50 A77 C102 G106 F107 A112 L119 F121 Y465	I48-W109 HydrophobicContact CG2-CD2 4.29Å; I48-W109 HydrophobicContact CG2-CE3 4.49Å; I48-W109 HydrophobicContact CG2-CH2 3.5Å; I48-W109 HydrophobicContact CG2-CZ2 3.25Å; I48-W109 HydrophobicContact CG2-CZ3 4.12Å; Y50-W109 HydrophobicContact CD1-CH2 4.13Å; Y50-W109 HydrophobicContact CD1-CZ2 4.14Å; A77-W109 HydrophobicContact CB-CH2 3.54Å; A77-W109 HydrophobicContact CB-CZ3 3.53Å; C102-W109 PolarHBondContact O-NE1 3.22Å; C102-W109 VanDerWaalsContact O-NE1 3.15Å; C102-W109 VanDerWaalsContact SG-CZ2 3.57Å; G106-W109 WeakPolarHBondContact O-CB 3.47Å; G106-W109 PolarHBondContact O-N 2.93Å; F107-W109 VanDerWaalsContact C-N 3.32Å; F107-W109 PolarHBondContact O-N 2.9Å; W109-A112 PolarHBondContact O-N 3.4Å; W109-L119 HydrophobicContact CD2-CD1 3.55Å; W109-L119 HydrophobicContact CE3-CD1 3.5Å; W109-L119 HydrophobicContact CG-CD1 4.05Å; W109-L119 HydrophobicContact CH2-CD1 4.19Å; W109-L119 HydrophobicContact CZ2-CD1 4.21Å; W109-L119 HydrophobicContact CZ3-CD1 3.86Å; W109-F121 HydrophobicContact CZ2-CE2 4.07Å; W109-F121 AromaticContact NE1-CZ 3.99Å; W109-Y465 HydrophobicContact CB-CE1 4.12Å; W109-Y465 VanDerWaalsContact CD1-OH 3.24Å
110	E	95.9	Very high	96.8	Very high	59 Å²	59	24 Å²	24	28%	0.276	11%	0.113	S	C	.	.	H	α-helix	trans	-70.5	-36.4	-178.4	-66.6	176.2	173.3	0	0	113.3	G106 F107 Y465 S466	G106-E110 PolarHBondContact O-N 3.44Å; G106-E110 VanDerWaalsContact O-N 3.1Å; F107-E110 PolarHBondContact O-N 3.39Å; E110-Y465 HydrophobicContact CG-CD1 4.42Å; E110-S466 VanDerWaalsContact OE1-CB 3.24Å; E110-S466 WeakPolarHBondContact OE1-CB 3.11Å; E110-S466 PolarHBondContact OE1-N 3Å; E110-S466 PolarHBondContact OE1-OG 2.93Å; E110-S466 VanDerWaalsContact OE2-CB 3.32Å; E110-S466 WeakPolarHBondContact OE2-CB 3.42Å; E110-S466 PolarHBondContact OE2-N 3.29Å; E110-S466 PolarHBondContact OE2-OG 3.3Å
111	V	97.3	Very high	97	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-83.7	-17.7	178.3	-61.2	0	0	0	0	113.3	L89 F107 E113 Q114 L115 L482	L89-V111 HydrophobicContact CD1-CG2 3.56Å; F107-V111 HydrophobicContact CD2-CG1 3.83Å; F107-V111 HydrophobicContact CE1-CG1 4.31Å; F107-V111 HydrophobicContact CE1-CG2 4.46Å; F107-V111 HydrophobicContact CE2-CG1 3.32Å; F107-V111 HydrophobicContact CZ-CG1 3.62Å; F107-V111 VanDerWaalsContact O-CG2 3.27Å; F107-V111 WeakPolarHBondContact O-CG2 3.45Å; F107-V111 PolarHBondContact O-N 3.36Å; V111-E113 PolarHBondContact O-N 3.28Å; V111-Q114 PolarHBondContact O-N 3.34Å; V111-L115 HydrophobicContact CB-CD1 4.18Å; V111-L115 HydrophobicContact CG2-CD1 4.22Å; V111-L115 VanDerWaalsContact O-CB 3.32Å; V111-L115 WeakPolarHBondContact O-CB 3.25Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.41Å; V111-L115 PolarHBondContact O-N 2.96Å; V111-L482 HydrophobicContact CB-CD1 4.12Å; V111-L482 HydrophobicContact CG1-CD1 4.03Å
112	A	96.9	Very high	97.1	Very high	1 Å²	1	22 Å²	22	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-57.9	-47	177.9	0	0	0	0	0	111.9	H80 M108 W109 Q114 L115 G116 A117 L119	H80-A112 HydrophobicContact CB-CB 4.49Å; M108-A112 WeakPolarHBondContact O-CB 3.32Å; M108-A112 PolarHBondContact O-N 3.06Å; W109-A112 PolarHBondContact O-N 3.4Å; A112-Q114 PolarHBondContact O-N 2.94Å; A112-L115 PolarHBondContact O-N 3.27Å; A112-G116 CarbonylContact O-C 3.57Å; A112-G116 WeakPolarHBondContact O-CA 3.42Å; A112-G116 PolarHBondContact O-N 2.91Å; A112-A117 HydrophobicContact CB-CB 4.43Å; A112-A117 PolarHBondContact O-N 3.5Å; A112-L119 HydrophobicContact CB-CD1 4.08Å; A112-L119 HydrophobicContact CB-CD2 3.77Å; A112-L119 HydrophobicContact CB-CG 3.9Å
113	E	92.8	Very high	97.2	Very high	132 Å²	132	22 Å²	22	62%	0.617	11%	0.105	S	C	*	.	H	α-helix	trans	-60.6	-45.8	177.4	-173.7	178.7	-169.7	0	0	111.8	V111 L115 G116	V111-E113 PolarHBondContact O-N 3.28Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 3.03Å; E113-G116 PolarHBondContact O-N 2.74Å
114	Q	94.7	Very high	97.4	Very high	120 Å²	120	18.8 Å²	18.8	56%	0.561	9%	0.088	S	C	*	.	H	α-helix	trans	-67.3	-31.7	-178.2	-63.8	-176.4	51.9	0	0	113	V111 A112 L482	V111-Q114 PolarHBondContact O-N 3.34Å; A112-Q114 PolarHBondContact O-N 2.94Å; Q114-L482 VanDerWaalsContact OE1-CD2 3.25Å
115	L	97.8	Very high	97.6	Very high	9 Å²	9	18 Å²	18	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-92.6	-10.5	-179.4	-67.3	175.1	0	0	0	113.1	P87 L89 V111 A112 E113 A117 L482 F485 Q486 I489	P87-L115 WeakPolarHBondContact CD-O 3.34Å; P87-L115 HydrophobicContact CG-CB 4.15Å; P87-L115 VanDerWaalsContact CG-O 3.27Å; P87-L115 WeakPolarHBondContact CG-O 3.45Å; L89-L115 HydrophobicContact CD1-CD1 4.22Å; L89-L115 HydrophobicContact CD2-CD1 4.17Å; V111-L115 HydrophobicContact CB-CD1 4.18Å; V111-L115 HydrophobicContact CG2-CD1 4.22Å; V111-L115 VanDerWaalsContact O-CB 3.32Å; V111-L115 WeakPolarHBondContact O-CB 3.25Å; V111-L115 VanDerWaalsContact O-CG 3.31Å; V111-L115 WeakPolarHBondContact O-CG 3.41Å; V111-L115 PolarHBondContact O-N 2.96Å; A112-L115 PolarHBondContact O-N 3.27Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 3.03Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 HydrophobicContact CB-CB 4.12Å; L115-L482 HydrophobicContact CD1-CD1 3.92Å; L115-L482 HydrophobicContact CD2-CD1 3.71Å; L115-L482 HydrophobicContact CG-CD1 3.78Å; L115-F485 HydrophobicContact CD1-CB 4.15Å; L115-F485 HydrophobicContact CD1-CD2 4.03Å; L115-Q486 HydrophobicContact CD2-CG 3.6Å; L115-I489 HydrophobicContact CD1-CD1 4.3Å; L115-I489 HydrophobicContact CD2-CD1 3.98Å
116	G	97.6	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	38.6	-169.9	0	0	0	0	0	112.2	H80 W81 Q82 A112 E113	H80-G116 CarbonylContact O-C 3.48Å; H80-G116 WeakPolarHBondContact O-CA 3.4Å; W81-G116 WeakPolarHBondContact CA-O 3.08Å; Q82-G116 PolarHBondContact N-O 2.82Å; A112-G116 CarbonylContact O-C 3.57Å; A112-G116 WeakPolarHBondContact O-CA 3.42Å; A112-G116 PolarHBondContact O-N 2.91Å; E113-G116 PolarHBondContact O-N 2.74Å
117	A	98.5	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.008	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-96.9	148.5	-167.7	0	0	0	0	0	113.8	P87 L89 A112 L115	P87-A117 HydrophobicContact CB-CB 4.38Å; P87-A117 HydrophobicContact CG-CB 3.8Å; P87-A117 CarbonylContact O-C 3.53Å; P87-A117 WeakPolarHBondContact O-CA 3.41Å; L89-A117 HydrophobicContact CD1-CB 4.17Å; L89-A117 HydrophobicContact CG-CB 3.81Å; A112-A117 HydrophobicContact CB-CB 4.43Å; A112-A117 PolarHBondContact O-N 3.5Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 HydrophobicContact CB-CB 4.12Å
118	M	98.7	Very high	97.7	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	138.4	159.1	-178.9	168.3	58.2	0	0	108.9	V76 D78 W81 P87 I88 L89 V120 I163	V76-M118 HydrophobicContact CG1-CG 4Å; V76-M118 HydrophobicContact CG1-SD 3.77Å; D78-M118 HydrophobicContact CB-CG 4.38Å; D78-M118 HydrophobicContact CB-SD 4.43Å; W81-M118 HydrophobicContact CB-CB 3.88Å; W81-M118 VanDerWaalsContact CD1-N 3.3Å; W81-M118 HydrophobicContact CD2-CB 4.05Å; W81-M118 HydrophobicContact CE3-SD 4.45Å; W81-M118 HydrophobicContact CG-CB 3.6Å; P87-M118 PolarHBondContact O-N 2.98Å; I88-M118 CarbonylContact C-O 3.43Å; I88-M118 WeakPolarHBondContact CA-O 3.36Å; I88-M118 HydrophobicContact CD1-CE 3.5Å; I88-M118 HydrophobicContact CG1-CB 4.48Å; I88-M118 HydrophobicContact CG1-CE 3.63Å; I88-M118 HydrophobicContact CG2-CE 4.29Å; L89-M118 PolarHBondContact N-O 3.01Å; M118-V120 HydrophobicContact CE-CG2 4.29Å; M118-V120 HydrophobicContact CG-CG2 4.31Å; M118-I163 HydrophobicContact CE-CG2 3.74Å
119	L	98.8	Very high	97.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.3	171.3	-58.9	-176.9	0	0	0	110	V76 A77 L89 M108 W109 A112 F121	V76-L119 WeakPolarHBondContact CA-O 3.5Å; A77-L119 HydrophobicContact CB-CB 4.24Å; A77-L119 PolarHBondContact N-O 2.97Å; A77-L119 PolarHBondContact O-N 2.92Å; L89-L119 HydrophobicContact CB-CD2 3.74Å; L89-L119 HydrophobicContact CD1-CD2 3.89Å; L89-L119 HydrophobicContact CG-CD2 4.18Å; M108-L119 HydrophobicContact CB-CD2 4.15Å; M108-L119 HydrophobicContact CE-CD2 4.05Å; W109-L119 HydrophobicContact CD2-CD1 3.55Å; W109-L119 HydrophobicContact CE3-CD1 3.5Å; W109-L119 HydrophobicContact CG-CD1 4.05Å; W109-L119 HydrophobicContact CH2-CD1 4.19Å; W109-L119 HydrophobicContact CZ2-CD1 4.21Å; W109-L119 HydrophobicContact CZ3-CD1 3.86Å; A112-L119 HydrophobicContact CB-CD1 4.08Å; A112-L119 HydrophobicContact CB-CD2 3.77Å; A112-L119 HydrophobicContact CB-CG 3.9Å; L119-F121 HydrophobicContact CB-CE2 4.23Å; L119-F121 HydrophobicContact CD1-CE2 4.44Å
120	V	98.9	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123	171.6	179.7	0	0	0	0	108.2	Y74 L75 V76 I88 L89 F90 Y91 M118 I163	Y74-V120 HydrophobicContact CD2-CG1 4.13Å; L75-V120 CarbonylContact O-C 3.56Å; L75-V120 VanDerWaalsContact O-CA 3.29Å; L75-V120 WeakPolarHBondContact O-CA 3.46Å; V76-V120 HydrophobicContact CG2-CG2 4.38Å; I88-V120 HydrophobicContact CG2-CB 4.25Å; I88-V120 HydrophobicContact CG2-CG2 3.69Å; L89-V120 PolarHBondContact O-N 3.23Å; F90-V120 CarbonylContact C-O 3.4Å; F90-V120 WeakPolarHBondContact CA-O 3.2Å; F90-V120 HydrophobicContact CD2-CB 3.79Å; F90-V120 HydrophobicContact CD2-CG1 3.59Å; F90-V120 HydrophobicContact CE2-CB 4.33Å; F90-V120 HydrophobicContact CE2-CG1 3.61Å; Y91-V120 PolarHBondContact N-O 2.91Å; M118-V120 HydrophobicContact CE-CG2 4.29Å; M118-V120 HydrophobicContact CG-CG2 4.31Å; V120-I163 HydrophobicContact CG1-CD1 3.92Å; V120-I163 HydrophobicContact CG2-CD1 4.12Å
121	F	98.9	Very high	97.9	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.1	170.4	-68.8	-101.8	0	0	0	108.4	Y74 L75 Y91 I98 C102 T105 M108 W109 L119	Y74-F121 CarbonylContact C-O 3.55Å; Y74-F121 WeakPolarHBondContact CA-O 3.47Å; Y74-F121 WeakPolarHBondContact CB-O 3.28Å; L75-F121 HydrophobicContact CB-CB 4.17Å; L75-F121 HydrophobicContact CD1-CB 4.39Å; L75-F121 HydrophobicContact CG-CB 4.38Å; L75-F121 PolarHBondContact N-O 2.88Å; L75-F121 PolarHBondContact O-N 2.86Å; Y91-F121 AromaticContact CD1-CD1 3.91Å; Y91-F121 HydrophobicContact CD1-CD1 3.91Å; Y91-F121 HydrophobicContact CD1-CE1 4.45Å; Y91-F121 HydrophobicContact CD2-CD1 4.16Å; Y91-F121 AromaticContact CD2-CE1 3.92Å; Y91-F121 HydrophobicContact CD2-CE1 3.92Å; Y91-F121 AromaticContact CG-CD1 3.52Å; Y91-F121 HydrophobicContact CG-CD1 3.52Å; Y91-F121 AromaticContact CG-CE1 3.75Å; Y91-F121 HydrophobicContact CG-CE1 3.75Å; I98-F121 HydrophobicContact CD1-CB 3.91Å; I98-F121 HydrophobicContact CG1-CB 3.72Å; C102-F121 HydrophobicContact CB-CD1 4.11Å; C102-F121 HydrophobicContact CB-CD2 4.46Å; C102-F121 HydrophobicContact CB-CE1 4.36Å; C102-F121 HydrophobicContact CB-CG 4.19Å; T105-F121 HydrophobicContact CG2-CE1 4.31Å; M108-F121 HydrophobicContact CB-CZ 4.23Å; M108-F121 HydrophobicContact CE-CE1 4.12Å; M108-F121 HydrophobicContact CE-CE2 3.92Å; M108-F121 HydrophobicContact CE-CZ 3.69Å; M108-F121 HydrophobicContact SD-CE1 3.9Å; M108-F121 HydrophobicContact SD-CZ 3.79Å; W109-F121 HydrophobicContact CZ2-CE2 4.07Å; W109-F121 AromaticContact NE1-CZ 3.99Å; L119-F121 HydrophobicContact CB-CE2 4.23Å; L119-F121 HydrophobicContact CD1-CE2 4.44Å
122	A	98.9	Very high	97.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.5	-178	0	0	0	0	0	110.5	F90 Y91 G93 I98 F156 L159	F90-A122 HydrophobicContact CE1-CB 3.85Å; F90-A122 HydrophobicContact CE2-CB 3.93Å; F90-A122 HydrophobicContact CZ-CB 3.29Å; Y91-A122 PolarHBondContact O-N 3.44Å; Y91-A122 VanDerWaalsContact O-N 3.14Å; G93-A122 WeakPolarHBondContact CA-O 3.45Å; G93-A122 PolarHBondContact N-O 3.14Å; I98-A122 WeakPolarHBondContact CD1-O 3.41Å; A122-F156 HydrophobicContact CB-CD1 3.81Å; A122-F156 HydrophobicContact CB-CE1 3.88Å; A122-L159 HydrophobicContact CB-CD2 3.62Å
123	E	98.9	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-72.6	141.1	177.9	-170.8	156.7	-98.9	0	0	111.2	Q72 R73 I98 Y127 E129 S130	Q72-E123 PolarHBondContact NE2-O 2.66Å; R73-E123 HydrophobicContact CB-CB 4.19Å; R73-E123 WeakPolarHBondContact CB-OE2 3.23Å; R73-E123 IonicContact CZ-OE1 3.79Å; R73-E123 IonicContact CZ-OE2 3.82Å; R73-E123 IonicContact NE-OE1 3.58Å; R73-E123 PolarHBondContact NE-OE1 3.04Å; R73-E123 IonicContact NE-OE2 2.78Å; R73-E123 PolarHBondContact NE-OE2 2.83Å; R73-E123 IonicContact NH2-OE1 2.68Å; R73-E123 PolarHBondContact NH2-OE1 3.1Å; R73-E123 IonicContact NH2-OE2 2.77Å; R73-E123 WeakPolarHBondContact O-CB 3.48Å; R73-E123 PolarHBondContact O-N 3.45Å; I98-E123 HydrophobicContact CB-CB 3.72Å; I98-E123 HydrophobicContact CB-CG 4Å; I98-E123 WeakPolarHBondContact CB-OE1 3.41Å; I98-E123 HydrophobicContact CG1-CB 4.22Å; I98-E123 HydrophobicContact CG2-CB 3.94Å; I98-E123 HydrophobicContact CG2-CG 4.34Å; I98-E123 WeakPolarHBondContact CG2-OE1 3.49Å; I98-E123 PolarHBondContact N-OE1 2.94Å; E123-Y127 WeakPolarHBondContact CG-O 3.37Å; E123-E129 PolarHBondContact OE2-N 2.98Å; E123-S130 VanDerWaalsContact CB-OG 3.31Å; E123-S130 WeakPolarHBondContact CB-OG 3.3Å; E123-S130 WeakPolarHBondContact CG-OG 3.28Å; E123-S130 WeakPolarHBondContact OE2-CB 3.2Å; E123-S130 PolarHBondContact OE2-N 3.12Å; E123-S130 VanDerWaalsContact OE2-N 3.08Å; E123-S130 PolarHBondContact OE2-OG 2.81Å
124	H	98.9	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-71.7	138.3	175.1	-165.3	-69.4	0	0	0	109.9	G93 N94 Y127 A152 Y182	G93-H124 WeakPolarHBondContact O-CB 3.43Å; G93-H124 PolarHBondContact O-CD2 3.5Å; N94-H124 WeakPolarHBondContact O-CB 3.47Å; H124-Y127 HydrophobicContact CB-CD2 3.69Å; H124-Y127 HydrophobicContact CB-CE2 4.41Å; H124-Y127 HydrophobicContact CB-CG 4.45Å; H124-Y127 AromaticContact CE1-CE2 3.93Å; H124-Y127 AromaticContact CG-CD2 3.71Å; H124-Y127 AromaticContact CG-CE2 3.98Å; H124-Y127 AromaticContact ND1-CD2 3.4Å; H124-Y127 WeakPolarHBondContact ND1-CD2 3.37Å; H124-Y127 AromaticContact ND1-CE2 3.47Å; H124-Y127 WeakPolarHBondContact ND1-CE2 3.38Å; H124-Y127 PolarHBondContact O-N 2.95Å; H124-Y127 VanDerWaalsContact O-N 3.13Å; H124-A152 VanDerWaalsContact NE2-CB 3.26Å; H124-A152 WeakPolarHBondContact NE2-CB 3.39Å; H124-Y182 AromaticContact CD2-CE1 3.7Å; H124-Y182 AromaticContact NE2-CE1 3.44Å; H124-Y182 WeakPolarHBondContact NE2-CE1 3.32Å; H124-Y182 AromaticContact NE2-CZ 3.55Å; H124-Y182 PolarHBondContact NE2-OH 2.91Å
125	R	98.8	Very high	98.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	143.3	171.1	56.7	167.8	61.3	-153.6	-3.2	111.2	K58 I59 H61 F70 Y127 S130 P132 Y146 Q151 A152 D155	K58-R125 PolarHBondContact O-NH2 3.29Å; I59-R125 PolarHBondContact O-NH1 2.75Å; I59-R125 PolarHBondContact O-NH2 3.18Å; H61-R125 PolarHBondContact CD2-NH2 3.16Å; F70-R125 HydrophobicContact CE2-CB 4.38Å; F70-R125 HydrophobicContact CZ-CB 3.89Å; R125-Y127 VanDerWaalsContact O-CD2 3.24Å; R125-Y127 WeakPolarHBondContact O-CD2 3.27Å; R125-Y127 PolarHBondContact O-N 2.99Å; R125-S130 CarbonylContact C-O 3.43Å; R125-P132 HydrophobicContact CB-CG 4.43Å; R125-Y146 WeakPolarHBondContact CD-O 3.25Å; R125-Y146 PolarHBondContact NH1-O 2.7Å; R125-Q151 VanDerWaalsContact CZ-CB 3.46Å; R125-A152 HydrophobicContact CG-CB 4.34Å; R125-D155 IonicContact CZ-OD1 2.81Å; R125-D155 IonicContact CZ-OD2 2.7Å; R125-D155 IonicContact NE-OD1 3.25Å; R125-D155 IonicContact NE-OD2 3.04Å; R125-D155 PolarHBondContact NE-OD2 2.87Å; R125-D155 VanDerWaalsContact NH2-CG 3.28Å; R125-D155 IonicContact NH2-OD1 2.67Å; R125-D155 PolarHBondContact NH2-OD1 3.13Å; R125-D155 IonicContact NH2-OD2 3.93Å; R125-D155 PolarHBondContact NH2-OD2 3.29Å
126	Y	98.6	Very high	98.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-5.1	-174.5	-61	-102.4	0	0	0	116.3	S130 L131 P132 S137 Y138 H143 L144 Y146 L147	Y126-S130 PolarHBondContact N-O 2.92Å; Y126-L131 VanDerWaalsContact O-CD2 3.31Å; Y126-L131 WeakPolarHBondContact O-CD2 3.36Å; Y126-P132 HydrophobicContact CD2-CG 3.93Å; Y126-P132 HydrophobicContact CE1-CG 4.39Å; Y126-P132 HydrophobicContact CE2-CB 4.47Å; Y126-P132 HydrophobicContact CE2-CG 3.52Å; Y126-S137 WeakPolarHBondContact CE1-O 3.24Å; Y126-Y138 PolarHBondContact O-OH 3.07Å; Y126-H143 VanDerWaalsContact CE1-O 3.26Å; Y126-H143 WeakPolarHBondContact CE1-O 3.24Å; Y126-H143 VanDerWaalsContact CZ-O 3.28Å; Y126-H143 PolarHBondContact OH-O 2.87Å; Y126-L144 HydrophobicContact CD1-CD2 4.08Å; Y126-L144 HydrophobicContact CE1-CD2 4.1Å; Y126-Y146 WeakPolarHBondContact OH-CB 3.26Å; Y126-L147 HydrophobicContact CD1-CB 4.28Å; Y126-L147 HydrophobicContact CD1-CD2 4.31Å; Y126-L147 HydrophobicContact CD2-CB 3.62Å; Y126-L147 HydrophobicContact CD2-CD1 3.74Å; Y126-L147 HydrophobicContact CD2-CD2 4.39Å; Y126-L147 HydrophobicContact CD2-CG 4.09Å; Y126-L147 HydrophobicContact CE1-CB 4.31Å; Y126-L147 HydrophobicContact CE2-CB 3.66Å; Y126-L147 HydrophobicContact CG-CB 3.95Å; Y126-L147 HydrophobicContact CG-CD1 4.02Å; Y126-L147 HydrophobicContact CG-CD2 3.98Å; Y126-L147 HydrophobicContact CG-CG 4.18Å
127	Y	98.5	Very high	98.1	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	15%	0.147	C	C	.	.	S	Bend	trans	-109.5	154.4	177.8	-61.9	-86.3	0	0	0	111.7	E95 G96 E123 H124 R125 E129 S130 L147 G359 W363 Q366	E95-Y127 VanDerWaalsContact C-CE1 3.44Å; E95-Y127 HydrophobicContact CB-CD1 4.34Å; E95-Y127 HydrophobicContact CB-CE1 3.62Å; G96-Y127 WeakPolarHBondContact O-CB 3.39Å; E123-Y127 WeakPolarHBondContact CG-O 3.37Å; H124-Y127 HydrophobicContact CB-CD2 3.69Å; H124-Y127 HydrophobicContact CB-CE2 4.41Å; H124-Y127 HydrophobicContact CB-CG 4.45Å; H124-Y127 AromaticContact CE1-CE2 3.93Å; H124-Y127 AromaticContact CG-CD2 3.71Å; H124-Y127 AromaticContact CG-CE2 3.98Å; H124-Y127 AromaticContact ND1-CD2 3.4Å; H124-Y127 WeakPolarHBondContact ND1-CD2 3.37Å; H124-Y127 AromaticContact ND1-CE2 3.47Å; H124-Y127 WeakPolarHBondContact ND1-CE2 3.38Å; H124-Y127 PolarHBondContact O-N 2.95Å; H124-Y127 VanDerWaalsContact O-N 3.13Å; R125-Y127 VanDerWaalsContact O-CD2 3.24Å; R125-Y127 WeakPolarHBondContact O-CD2 3.27Å; R125-Y127 PolarHBondContact O-N 2.99Å; Y127-E129 PolarHBondContact O-N 2.82Å; Y127-E129 VanDerWaalsContact O-N 3.15Å; Y127-S130 PolarHBondContact O-N 2.78Å; Y127-L147 HydrophobicContact CE2-CD1 4.15Å; Y127-G359 WeakPolarHBondContact CE1-O 3.48Å; Y127-W363 WeakPolarHBondContact OH-CA 3.47Å; Y127-W363 PolarHBondContact OH-N 3.41Å; Y127-Q366 PolarHBondContact OH-OE1 2.83Å
128	G	96.8	Very high	97.9	Very high	37 Å²	37	29.6 Å²	29.6	38%	0.381	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-116.6	-178	0	0	0	0	0	112.3
129	E	97.9	Very high	97.8	Very high	100 Å²	100	32.6 Å²	32.6	47%	0.467	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-4.2	179.9	-65.6	177.5	-149	0	0	113	Y54 R73 E123 Y127 L131	Y54-E129 PolarHBondContact OH-OE2 2.78Å; R73-E129 IonicContact CZ-OE1 3.76Å; R73-E129 IonicContact NH1-OE1 2.69Å; R73-E129 PolarHBondContact NH1-OE1 3.07Å; R73-E129 IonicContact NH1-OE2 2.71Å; E123-E129 PolarHBondContact OE2-N 2.98Å; Y127-E129 PolarHBondContact O-N 2.82Å; Y127-E129 VanDerWaalsContact O-N 3.15Å; E129-L131 VanDerWaalsContact C-N 3.27Å; E129-L131 PolarHBondContact O-N 2.81Å
130	S	98.7	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.			trans	-87.1	62.5	-173.6	-60.8	0	0	0	0	111.9	R73 E123 R125 Y126 Y127 P132	R73-S130 WeakPolarHBondContact CB-OG 3.25Å; R73-S130 PolarHBondContact N-OG 2.7Å; E123-S130 VanDerWaalsContact CB-OG 3.31Å; E123-S130 WeakPolarHBondContact CB-OG 3.3Å; E123-S130 WeakPolarHBondContact CG-OG 3.28Å; E123-S130 WeakPolarHBondContact OE2-CB 3.2Å; E123-S130 PolarHBondContact OE2-N 3.12Å; E123-S130 VanDerWaalsContact OE2-N 3.08Å; E123-S130 PolarHBondContact OE2-OG 2.81Å; R125-S130 CarbonylContact C-O 3.43Å; Y126-S130 PolarHBondContact N-O 2.92Å; Y127-S130 PolarHBondContact O-N 2.78Å; S130-P132 WeakPolarHBondContact O-CD 3.4Å
131	L	98.4	Very high	97.4	Very high	39 Å²	39	38.3 Å²	38.3	20%	0.204	21%	0.213	C	C	.	.			trans	-100.3	111.4	-171	-61.5	-176.2	0	0	0	111.5	Y126 E129 F133 G134 S137 Y138	Y126-L131 VanDerWaalsContact O-CD2 3.31Å; Y126-L131 WeakPolarHBondContact O-CD2 3.36Å; E129-L131 VanDerWaalsContact C-N 3.27Å; E129-L131 PolarHBondContact O-N 2.81Å; L131-F133 PolarHBondContact O-N 3.27Å; L131-F133 VanDerWaalsContact O-N 3.08Å; L131-G134 WeakPolarHBondContact CD1-O 3.31Å; L131-G134 PolarHBondContact O-N 3.24Å; L131-G134 VanDerWaalsContact O-N 3.11Å; L131-S137 WeakPolarHBondContact CB-OG 3.27Å; L131-Y138 HydrophobicContact CD2-CE2 4.17Å
132	P	98.3	Very high	97.2	Very high	9 Å²	9	45.8 Å²	45.8	6%	0.058	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.4	-175.3	-31.4	40.7	0	0	0	115.5	I59 F70 R125 Y126 S130	I59-P132 HydrophobicContact CG1-CB 4.36Å; F70-P132 HydrophobicContact CB-CB 4.42Å; F70-P132 HydrophobicContact CD1-CB 4.19Å; F70-P132 HydrophobicContact CD1-CG 4.2Å; F70-P132 HydrophobicContact CD2-CB 4.49Å; F70-P132 HydrophobicContact CD2-CG 4.15Å; F70-P132 HydrophobicContact CE1-CG 4.19Å; F70-P132 HydrophobicContact CE2-CG 4.15Å; F70-P132 HydrophobicContact CG-CB 4.13Å; F70-P132 HydrophobicContact CG-CG 4.2Å; F70-P132 HydrophobicContact CZ-CG 4.17Å; R125-P132 HydrophobicContact CB-CG 4.43Å; Y126-P132 HydrophobicContact CD2-CG 3.93Å; Y126-P132 HydrophobicContact CE1-CG 4.39Å; Y126-P132 HydrophobicContact CE2-CB 4.47Å; Y126-P132 HydrophobicContact CE2-CG 3.52Å; S130-P132 WeakPolarHBondContact O-CD 3.4Å
133	F	97.8	Very high	97.2	Very high	52 Å²	52	48.2 Å²	48.2	23%	0.228	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	25.7	179.4	-52.3	-80.2	0	0	0	111.9	I59 L131 Q135 D136 S137 H143 Y146	I59-F133 HydrophobicContact CD1-CD1 4.48Å; I59-F133 HydrophobicContact CD1-CE1 3.9Å; I59-F133 HydrophobicContact CD1-CZ 4.26Å; I59-F133 HydrophobicContact CG2-CE1 4.33Å; I59-F133 HydrophobicContact CG2-CE2 4.3Å; I59-F133 HydrophobicContact CG2-CZ 3.66Å; L131-F133 PolarHBondContact O-N 3.27Å; L131-F133 VanDerWaalsContact O-N 3.08Å; F133-Q135 PolarHBondContact O-N 2.95Å; F133-D136 HydrophobicContact CB-CB 4.39Å; F133-D136 PolarHBondContact O-N 3.24Å; F133-D136 VanDerWaalsContact O-N 3.1Å; F133-S137 PolarHBondContact N-OG 2.9Å; F133-H143 AromaticContact CD1-CD2 3.84Å; F133-H143 HydrophobicContact CD2-CB 3.96Å; F133-H143 AromaticContact CD2-CD2 3.75Å; F133-H143 HydrophobicContact CE2-CB 4.35Å; F133-H143 VanDerWaalsContact CE2-O 3.29Å; F133-H143 WeakPolarHBondContact CE2-O 3.45Å; F133-H143 AromaticContact CG-CD2 3.48Å; F133-H143 VanDerWaalsContact CG-CD2 3.48Å; F133-H143 WeakPolarHBondContact CG-CD2 3.36Å; F133-Y146 AromaticContact CE2-CD2 3.64Å; F133-Y146 HydrophobicContact CE2-CD2 3.64Å; F133-Y146 AromaticContact CE2-CE2 3.83Å; F133-Y146 HydrophobicContact CE2-CE2 3.83Å; F133-Y146 AromaticContact CZ-CD2 3.74Å; F133-Y146 HydrophobicContact CZ-CD2 3.74Å; F133-Y146 AromaticContact CZ-CE2 3.5Å; F133-Y146 HydrophobicContact CZ-CE2 3.5Å; F133-Y146 VanDerWaalsContact CZ-CE2 3.5Å
134	G	96.6	Very high	97.1	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	55.9	-131.9	-176.2	0	0	0	0	0	111.8	L131 D136 S137	L131-G134 WeakPolarHBondContact CD1-O 3.31Å; L131-G134 PolarHBondContact O-N 3.24Å; L131-G134 VanDerWaalsContact O-N 3.11Å; G134-D136 PolarHBondContact O-N 3.41Å; G134-S137 PolarHBondContact N-OG 3.32Å; G134-S137 WeakPolarHBondContact O-CB 3.32Å; G134-S137 PolarHBondContact O-N 2.86Å; G134-S137 PolarHBondContact O-OG 3.21Å
135	Q	94.3	Very high	97	Very high	176 Å²	176	52.9 Å²	52.9	82%	0.822	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22.9	-179.7	-61.9	-59	-42.7	0	0	113.4	F133 S137	F133-Q135 PolarHBondContact O-N 2.95Å; Q135-S137 VanDerWaalsContact C-N 3.29Å; Q135-S137 PolarHBondContact O-N 2.91Å
136	D	96.9	Very high	97	Very high	99 Å²	99	54.4 Å²	54.4	53%	0.529	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-85	-1.1	-178.9	-61.2	-37.9	0	0	0	113	F133 G134 Y138 S139 H143	F133-D136 HydrophobicContact CB-CB 4.39Å; F133-D136 PolarHBondContact O-N 3.24Å; F133-D136 VanDerWaalsContact O-N 3.1Å; G134-D136 PolarHBondContact O-N 3.41Å; D136-Y138 PolarHBondContact O-N 2.93Å; D136-S139 VanDerWaalsContact O-CB 3.28Å; D136-S139 WeakPolarHBondContact O-CB 3.24Å; D136-S139 PolarHBondContact O-N 3.4Å; D136-S139 PolarHBondContact O-OG 2.61Å; D136-H143 WeakPolarHBondContact O-CB 3.38Å
137	S	97.5	Very high	97	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.3	-25.3	-177.1	-57.8	0	0	0	0	113.7	Y126 L131 F133 G134 Q135 L144	Y126-S137 WeakPolarHBondContact CE1-O 3.24Å; L131-S137 WeakPolarHBondContact CB-OG 3.27Å; F133-S137 PolarHBondContact N-OG 2.9Å; G134-S137 PolarHBondContact N-OG 3.32Å; G134-S137 WeakPolarHBondContact O-CB 3.32Å; G134-S137 PolarHBondContact O-N 2.86Å; G134-S137 PolarHBondContact O-OG 3.21Å; Q135-S137 VanDerWaalsContact C-N 3.29Å; Q135-S137 PolarHBondContact O-N 2.91Å; S137-L144 WeakPolarHBondContact O-CD2 3.47Å
138	Y	95.8	Very high	97	Very high	64 Å²	64	55.3 Å²	55.3	25%	0.251	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-111.2	9.7	-179.9	-68.6	-81.7	0	0	0	113.4	Y126 L131 D136 L144 L361	Y126-Y138 PolarHBondContact O-OH 3.07Å; L131-Y138 HydrophobicContact CD2-CE2 4.17Å; D136-Y138 PolarHBondContact O-N 2.93Å; Y138-L144 HydrophobicContact CD1-CD2 3.69Å; Y138-L144 HydrophobicContact CE1-CD2 3.94Å; Y138-L144 HydrophobicContact CG-CD2 4.48Å; Y138-L361 HydrophobicContact CD1-CB 4.25Å; Y138-L361 HydrophobicContact CD1-CD2 3.55Å; Y138-L361 HydrophobicContact CD1-CG 3.75Å; Y138-L361 HydrophobicContact CE1-CB 4.24Å; Y138-L361 HydrophobicContact CE1-CD2 4.34Å; Y138-L361 HydrophobicContact CE1-CG 4.16Å; Y138-L361 HydrophobicContact CG-CD2 3.92Å
139	S	94.9	Very high	97.1	Very high	67 Å²	67	53.6 Å²	53.6	47%	0.469	28%	0.276	S	S	.	.	S	Bend	trans	-71.1	-37.1	-172.1	62	0	0	0	0	113.3	D136 H143	D136-S139 VanDerWaalsContact O-CB 3.28Å; D136-S139 WeakPolarHBondContact O-CB 3.24Å; D136-S139 PolarHBondContact O-N 3.4Å; D136-S139 PolarHBondContact O-OG 2.61Å; S139-H143 PolarHBondContact OG-ND1 3.48Å
140	D	94.7	Very high	97.2	Very high	64 Å²	64	50.1 Å²	50.1	34%	0.342	26%	0.26	S	S	.	.	S	Bend	trans	-156.9	173.8	178.6	65.9	41.1	0	0	0	112.3	K142 H143 L144	D140-K142 PolarHBondContact O-N 3.43Å; D140-K142 WeakPolarHBondContact OD1-CA 3.38Å; D140-K142 VanDerWaalsContact OD1-CB 3.27Å; D140-K142 WeakPolarHBondContact OD1-CB 3.36Å; D140-K142 PolarHBondContact OD1-N 3.04Å; D140-H143 PolarHBondContact O-N 2.8Å; D140-H143 IonicContact OD1-CE1 3.65Å; D140-H143 IonicContact OD1-CG 3.24Å; D140-H143 PolarHBondContact OD1-N 3.48Å; D140-H143 IonicContact OD1-ND1 3.62Å; D140-H143 PolarHBondContact OD1-ND1 3.1Å; D140-H143 IonicContact OD2-CE1 3.08Å; D140-H143 IonicContact OD2-ND1 3.38Å; D140-H143 PolarHBondContact OD2-ND1 3Å; D140-L144 PolarHBondContact O-N 2.85Å
141	V	94.9	Very high	97.2	Very high	59 Å²	59	50.6 Å²	50.6	36%	0.358	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-27.4	180	70.1	0	0	0	0	113.6	L144 N145 F365 V404	V141-L144 PolarHBondContact O-N 3.49Å; V141-N145 PolarHBondContact O-N 3.05Å; V141-F365 HydrophobicContact CG2-CE2 4.47Å; V141-V404 HydrophobicContact CG2-CG1 3.36Å
142	K	95.9	Very high	97.2	Very high	159 Å²	159	48.7 Å²	48.7	69%	0.691	25%	0.252	S	S	*	.	H	α-helix	trans	-71.8	-37.9	179.1	-59.1	175.2	-179.1	172.6	0	110.4	D140 N145 Y146	D140-K142 PolarHBondContact O-N 3.43Å; D140-K142 WeakPolarHBondContact OD1-CA 3.38Å; D140-K142 VanDerWaalsContact OD1-CB 3.27Å; D140-K142 WeakPolarHBondContact OD1-CB 3.36Å; D140-K142 PolarHBondContact OD1-N 3.04Å; K142-N145 WeakPolarHBondContact O-CB 3.13Å; K142-Y146 WeakPolarHBondContact O-CE2 3.49Å
143	H	97.3	Very high	97.2	Very high	50 Å²	50	48.4 Å²	48.4	23%	0.231	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-32.4	173.3	-65.7	86	0	0	0	111.6	Y126 F133 D136 S139 D140	Y126-H143 VanDerWaalsContact CE1-O 3.26Å; Y126-H143 WeakPolarHBondContact CE1-O 3.24Å; Y126-H143 VanDerWaalsContact CZ-O 3.28Å; Y126-H143 PolarHBondContact OH-O 2.87Å; F133-H143 AromaticContact CD1-CD2 3.84Å; F133-H143 HydrophobicContact CD2-CB 3.96Å; F133-H143 AromaticContact CD2-CD2 3.75Å; F133-H143 HydrophobicContact CE2-CB 4.35Å; F133-H143 VanDerWaalsContact CE2-O 3.29Å; F133-H143 WeakPolarHBondContact CE2-O 3.45Å; F133-H143 AromaticContact CG-CD2 3.48Å; F133-H143 VanDerWaalsContact CG-CD2 3.48Å; F133-H143 WeakPolarHBondContact CG-CD2 3.36Å; D136-H143 WeakPolarHBondContact O-CB 3.38Å; S139-H143 PolarHBondContact OG-ND1 3.48Å; D140-H143 PolarHBondContact O-N 2.8Å; D140-H143 IonicContact OD1-CE1 3.65Å; D140-H143 IonicContact OD1-CG 3.24Å; D140-H143 PolarHBondContact OD1-N 3.48Å; D140-H143 IonicContact OD1-ND1 3.62Å; D140-H143 PolarHBondContact OD1-ND1 3.1Å; D140-H143 IonicContact OD2-CE1 3.08Å; D140-H143 IonicContact OD2-ND1 3.38Å; D140-H143 PolarHBondContact OD2-ND1 3Å
144	L	97.4	Very high	97.3	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-80.8	-13	176	-74.2	167.2	0	0	0	114.7	Y126 S137 Y138 D140 V141 Y146 L147 F365 F402	Y126-L144 HydrophobicContact CD1-CD2 4.08Å; Y126-L144 HydrophobicContact CE1-CD2 4.1Å; S137-L144 WeakPolarHBondContact O-CD2 3.47Å; Y138-L144 HydrophobicContact CD1-CD2 3.69Å; Y138-L144 HydrophobicContact CE1-CD2 3.94Å; Y138-L144 HydrophobicContact CG-CD2 4.48Å; D140-L144 PolarHBondContact O-N 2.85Å; V141-L144 PolarHBondContact O-N 3.49Å; L144-Y146 PolarHBondContact O-N 3.36Å; L144-L147 HydrophobicContact CD2-CD2 4.13Å; L144-L147 WeakPolarHBondContact O-CB 3.48Å; L144-L147 PolarHBondContact O-N 3.05Å; L144-F365 HydrophobicContact CB-CD1 4.2Å; L144-F365 HydrophobicContact CB-CD2 4.03Å; L144-F365 HydrophobicContact CB-CE1 3.89Å; L144-F365 HydrophobicContact CB-CE2 3.7Å; L144-F365 HydrophobicContact CB-CG 4.25Å; L144-F365 HydrophobicContact CB-CZ 3.62Å; L144-F365 HydrophobicContact CD1-CD2 3.74Å; L144-F365 HydrophobicContact CD1-CE2 4.1Å; L144-F365 HydrophobicContact CD1-CG 4.14Å; L144-F365 HydrophobicContact CD2-CD1 4.4Å; L144-F365 HydrophobicContact CD2-CG 4.28Å; L144-F365 HydrophobicContact CG-CD2 4.36Å; L144-F365 HydrophobicContact CG-CE2 4.48Å; L144-F365 HydrophobicContact CG-CG 4.47Å; L144-F365 WeakPolarHBondContact O-CE1 3.37Å; L144-F402 HydrophobicContact CD1-CD1 4.04Å; L144-F402 HydrophobicContact CD1-CE1 4.12Å
145	N	97.7	Very high	97.4	Very high	96 Å²	96	44.6 Å²	44.6	51%	0.513	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-24.1	-176.1	-175.7	77.4	0	0	0	114.5	V141 K142	V141-N145 PolarHBondContact O-N 3.05Å; K142-N145 WeakPolarHBondContact O-CB 3.13Å
146	Y	98.4	Very high	97.6	Very high	32 Å²	32	36.2 Å²	36.2	13%	0.125	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.9	-177.7	-41.5	-89.9	0	0	0	113.4	I59 D60 Q66 R125 Y126 F133 K142 L144 T148	I59-Y146 HydrophobicContact CG2-CD1 4Å; I59-Y146 HydrophobicContact CG2-CD2 3.92Å; I59-Y146 HydrophobicContact CG2-CE1 4.15Å; I59-Y146 HydrophobicContact CG2-CE2 4.07Å; I59-Y146 HydrophobicContact CG2-CG 3.87Å; D60-Y146 HydrophobicContact CB-CD1 3.78Å; D60-Y146 HydrophobicContact CB-CE1 3.69Å; Q66-Y146 HydrophobicContact CB-CE1 4.48Å; Q66-Y146 HydrophobicContact CG-CE1 4.31Å; R125-Y146 WeakPolarHBondContact CD-O 3.25Å; R125-Y146 PolarHBondContact NH1-O 2.7Å; Y126-Y146 WeakPolarHBondContact OH-CB 3.26Å; F133-Y146 AromaticContact CE2-CD2 3.64Å; F133-Y146 HydrophobicContact CE2-CD2 3.64Å; F133-Y146 AromaticContact CE2-CE2 3.83Å; F133-Y146 HydrophobicContact CE2-CE2 3.83Å; F133-Y146 AromaticContact CZ-CD2 3.74Å; F133-Y146 HydrophobicContact CZ-CD2 3.74Å; F133-Y146 AromaticContact CZ-CE2 3.5Å; F133-Y146 HydrophobicContact CZ-CE2 3.5Å; F133-Y146 VanDerWaalsContact CZ-CE2 3.5Å; K142-Y146 WeakPolarHBondContact O-CE2 3.49Å; L144-Y146 PolarHBondContact O-N 3.36Å; Y146-T148 PolarHBondContact O-N 3.14Å
147	L	98.7	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.			trans	-86.4	77.3	172	-179.6	48.2	0	0	0	109.6	Y126 Y127 L144 F365 Q366	Y126-L147 HydrophobicContact CD1-CB 4.28Å; Y126-L147 HydrophobicContact CD1-CD2 4.31Å; Y126-L147 HydrophobicContact CD2-CB 3.62Å; Y126-L147 HydrophobicContact CD2-CD1 3.74Å; Y126-L147 HydrophobicContact CD2-CD2 4.39Å; Y126-L147 HydrophobicContact CD2-CG 4.09Å; Y126-L147 HydrophobicContact CE1-CB 4.31Å; Y126-L147 HydrophobicContact CE2-CB 3.66Å; Y126-L147 HydrophobicContact CG-CB 3.95Å; Y126-L147 HydrophobicContact CG-CD1 4.02Å; Y126-L147 HydrophobicContact CG-CD2 3.98Å; Y126-L147 HydrophobicContact CG-CG 4.18Å; Y127-L147 HydrophobicContact CE2-CD1 4.15Å; L144-L147 HydrophobicContact CD2-CD2 4.13Å; L144-L147 WeakPolarHBondContact O-CB 3.48Å; L144-L147 PolarHBondContact O-N 3.05Å; L147-F365 HydrophobicContact CB-CD1 4Å; L147-F365 HydrophobicContact CB-CE1 4.1Å; L147-F365 HydrophobicContact CD2-CB 4.43Å; L147-F365 HydrophobicContact CD2-CD1 3.93Å; L147-F365 HydrophobicContact CG-CD1 4.06Å; L147-Q366 HydrophobicContact CD1-CG 3.99Å; L147-Q366 HydrophobicContact CD2-CG 4.16Å; L147-Q366 HydrophobicContact CG-CG 3.76Å
148	T	98.8	Very high	97.8	Very high	23 Å²	23	34.8 Å²	34.8	14%	0.141	18%	0.181	C	C	.	.			trans	-126.8	159.8	172.7	87.6	0	0	0	0	110.9	Y146 E150 Q151 A152 E370	Y146-T148 PolarHBondContact O-N 3.14Å; T148-E150 VanDerWaalsContact CB-OE2 3.24Å; T148-E150 WeakPolarHBondContact CB-OE2 3.4Å; T148-E150 PolarHBondContact OG1-N 2.99Å; T148-E150 PolarHBondContact OG1-OE2 3.21Å; T148-Q151 PolarHBondContact O-N 3.24Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.47Å; T148-Q151 PolarHBondContact OG1-N 3.03Å; T148-A152 PolarHBondContact O-N 3.46Å; T148-E370 WeakPolarHBondContact CB-OE2 3.49Å
149	S	98.8	Very high	97.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-66.6	-37.3	177.5	49.7	0	0	0	0	112	Q151 A152 L153 E370 M371 Y415	S149-Q151 PolarHBondContact O-N 3.2Å; S149-A152 PolarHBondContact O-N 3.37Å; S149-L153 VanDerWaalsContact O-CG 3.27Å; S149-L153 WeakPolarHBondContact O-CG 3.25Å; S149-L153 PolarHBondContact O-N 3.05Å; S149-E370 PolarHBondContact N-OE2 3.28Å; S149-E370 PolarHBondContact OG-OE2 2.98Å; S149-M371 WeakPolarHBondContact OG-CE 3.35Å; S149-Y415 WeakPolarHBondContact CB-OH 3.44Å; S149-Y415 PolarHBondContact OG-OH 2.67Å
150	E	98.9	Very high	98.1	Very high	27 Å²	27	28.7 Å²	28.7	13%	0.126	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-39.1	176.9	-51.1	86.9	161.7	0	0	112.4	F62 T148 A152 L153 A154 W410 V414	F62-E150 HydrophobicContact CE2-CB 3.76Å; F62-E150 HydrophobicContact CZ-CB 3.64Å; T148-E150 VanDerWaalsContact CB-OE2 3.24Å; T148-E150 WeakPolarHBondContact CB-OE2 3.4Å; T148-E150 PolarHBondContact OG1-N 2.99Å; T148-E150 PolarHBondContact OG1-OE2 3.21Å; E150-A152 VanDerWaalsContact C-N 3.35Å; E150-L153 PolarHBondContact O-N 2.93Å; E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 2.89Å; E150-W410 PolarHBondContact OE1-NE1 3.05Å; E150-V414 HydrophobicContact CG-CG1 4.15Å
151	Q	98.9	Very high	98.3	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-42.7	175.7	-75.2	-77.8	18.2	0	0	111.2	D60 H61 F62 R125 T148 S149 A154 D155	D60-Q151 PolarHBondContact OD1-NE2 3.44Å; H61-Q151 PolarHBondContact CD2-OE1 2.86Å; H61-Q151 VanDerWaalsContact CD2-OE1 3.29Å; F62-Q151 HydrophobicContact CD2-CG 3.97Å; F62-Q151 HydrophobicContact CE2-CB 4.42Å; F62-Q151 HydrophobicContact CE2-CG 3.95Å; R125-Q151 VanDerWaalsContact CZ-CB 3.46Å; T148-Q151 PolarHBondContact O-N 3.24Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.47Å; T148-Q151 PolarHBondContact OG1-N 3.03Å; S149-Q151 PolarHBondContact O-N 3.2Å; Q151-A154 PolarHBondContact O-N 3.44Å; Q151-D155 VanDerWaalsContact O-CG 3.24Å; Q151-D155 PolarHBondContact O-N 2.83Å
152	A	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.1	-40.7	174.5	0	0	0	0	0	112.6	H124 R125 T148 S149 E150 A154 D155 F156	H124-A152 VanDerWaalsContact NE2-CB 3.26Å; H124-A152 WeakPolarHBondContact NE2-CB 3.39Å; R125-A152 HydrophobicContact CG-CB 4.34Å; T148-A152 PolarHBondContact O-N 3.46Å; S149-A152 PolarHBondContact O-N 3.37Å; E150-A152 VanDerWaalsContact C-N 3.35Å; A152-A154 VanDerWaalsContact C-N 3.33Å; A152-A154 PolarHBondContact O-N 3.18Å; A152-D155 WeakPolarHBondContact O-CB 3.46Å; A152-D155 PolarHBondContact O-N 3.16Å; A152-F156 HydrophobicContact CB-CE2 4.41Å; A152-F156 WeakPolarHBondContact O-CD2 2.97Å; A152-F156 VanDerWaalsContact O-CG 3.27Å; A152-F156 WeakPolarHBondContact O-CG 3.46Å; A152-F156 PolarHBondContact O-N 2.8Å; A152-F156 VanDerWaalsContact O-N 3.09Å
153	L	98.9	Very high	98.6	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-39.6	174.9	-66.9	179.9	0	0	0	112.1	S149 E150 D155 F156 A157 L186 W189 F190 Y194 Y415	S149-L153 VanDerWaalsContact O-CG 3.27Å; S149-L153 WeakPolarHBondContact O-CG 3.25Å; S149-L153 PolarHBondContact O-N 3.05Å; E150-L153 PolarHBondContact O-N 2.93Å; L153-D155 VanDerWaalsContact C-N 3.35Å; L153-F156 HydrophobicContact CD2-CD2 4.33Å; L153-F156 PolarHBondContact O-N 3.12Å; L153-A157 PolarHBondContact O-N 2.8Å; L153-A157 VanDerWaalsContact O-N 3.08Å; L153-L186 HydrophobicContact CD2-CB 4.29Å; L153-L186 HydrophobicContact CD2-CD2 3.75Å; L153-L186 WeakPolarHBondContact CD2-O 3.23Å; L153-L186 HydrophobicContact CG-CD2 4.1Å; L153-W189 HydrophobicContact CD1-CB 3.92Å; L153-F190 HydrophobicContact CB-CD2 4.32Å; L153-F190 HydrophobicContact CD2-CB 3.71Å; L153-F190 HydrophobicContact CD2-CD2 3.99Å; L153-F190 HydrophobicContact CD2-CG 4.18Å; L153-F190 VanDerWaalsContact O-CE2 3.27Å; L153-F190 WeakPolarHBondContact O-CE2 3.49Å; L153-Y194 HydrophobicContact CB-CE2 4.02Å; L153-Y415 HydrophobicContact CD1-CE1 3.79Å
154	A	98.9	Very high	98.7	Very high	5 Å²	5	20.6 Å²	20.6	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-64.8	-39.4	174.3	0	0	0	0	0	111.6	H61 F62 E150 Q151 A152 F156 A157 V158	H61-A154 HydrophobicContact CB-CB 3.78Å; F62-A154 HydrophobicContact CE2-CB 4.46Å; F62-A154 HydrophobicContact CZ-CB 4.25Å; E150-A154 WeakPolarHBondContact O-CB 3.38Å; E150-A154 PolarHBondContact O-N 2.89Å; Q151-A154 PolarHBondContact O-N 3.44Å; A152-A154 VanDerWaalsContact C-N 3.33Å; A152-A154 PolarHBondContact O-N 3.18Å; A154-F156 VanDerWaalsContact C-N 3.34Å; A154-F156 PolarHBondContact O-N 2.56Å; A154-A157 WeakPolarHBondContact O-CB 3.5Å; A154-A157 PolarHBondContact O-N 2.73Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.33Å
155	D	98.9	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.3	-49.5	174.2	-68.9	-23.6	0	0	0	111.8	Q57 H61 R125 Q151 A152 L153 A157 V158 L159	Q57-D155 HydrophobicContact CG-CB 4.18Å; Q57-D155 WeakPolarHBondContact CG-OD1 3.2Å; Q57-D155 PolarHBondContact NE2-O 2.93Å; Q57-D155 VanDerWaalsContact NE2-O 3.11Å; H61-D155 IonicContact CD2-OD1 3.08Å; H61-D155 PolarHBondContact CD2-OD1 3.34Å; H61-D155 IonicContact CE1-OD1 2.8Å; H61-D155 IonicContact NE2-OD1 3.23Å; H61-D155 PolarHBondContact NE2-OD1 3.3Å; R125-D155 IonicContact CZ-OD1 2.81Å; R125-D155 IonicContact CZ-OD2 2.7Å; R125-D155 IonicContact NE-OD1 3.25Å; R125-D155 IonicContact NE-OD2 3.04Å; R125-D155 PolarHBondContact NE-OD2 2.87Å; R125-D155 VanDerWaalsContact NH2-CG 3.28Å; R125-D155 IonicContact NH2-OD1 2.67Å; R125-D155 PolarHBondContact NH2-OD1 3.13Å; R125-D155 IonicContact NH2-OD2 3.93Å; R125-D155 PolarHBondContact NH2-OD2 3.29Å; Q151-D155 VanDerWaalsContact O-CG 3.24Å; Q151-D155 PolarHBondContact O-N 2.83Å; A152-D155 WeakPolarHBondContact O-CB 3.46Å; A152-D155 PolarHBondContact O-N 3.16Å; L153-D155 VanDerWaalsContact C-N 3.35Å; D155-A157 VanDerWaalsContact C-N 3.33Å; D155-A157 PolarHBondContact O-N 2.91Å; D155-V158 PolarHBondContact O-N 3.23Å; D155-L159 VanDerWaalsContact O-CB 3.29Å; D155-L159 WeakPolarHBondContact O-CB 3.29Å; D155-L159 PolarHBondContact O-N 3.1Å
156	F	98.9	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-40.7	178.9	-57.3	-34.9	0	0	0	111.8	F90 T92 A122 A152 L153 A154 I160 L186 F190	F90-F156 HydrophobicContact CE1-CB 3.75Å; F90-F156 AromaticContact CE1-CD1 3.82Å; F90-F156 HydrophobicContact CE1-CD1 3.82Å; F90-F156 AromaticContact CE1-CG 3.81Å; F90-F156 HydrophobicContact CE1-CG 3.81Å; F90-F156 HydrophobicContact CZ-CB 3.9Å; F90-F156 AromaticContact CZ-CD1 3.89Å; F90-F156 HydrophobicContact CZ-CD1 3.89Å; F90-F156 HydrophobicContact CZ-CG 4.15Å; T92-F156 HydrophobicContact CG2-CD2 3.8Å; T92-F156 HydrophobicContact CG2-CE2 3.97Å; T92-F156 HydrophobicContact CG2-CG 4.41Å; A122-F156 HydrophobicContact CB-CD1 3.81Å; A122-F156 HydrophobicContact CB-CE1 3.88Å; A152-F156 HydrophobicContact CB-CE2 4.41Å; A152-F156 WeakPolarHBondContact O-CD2 2.97Å; A152-F156 VanDerWaalsContact O-CG 3.27Å; A152-F156 WeakPolarHBondContact O-CG 3.46Å; A152-F156 PolarHBondContact O-N 2.8Å; A152-F156 VanDerWaalsContact O-N 3.09Å; L153-F156 HydrophobicContact CD2-CD2 4.33Å; L153-F156 PolarHBondContact O-N 3.12Å; A154-F156 VanDerWaalsContact C-N 3.34Å; A154-F156 PolarHBondContact O-N 2.56Å; F156-I160 WeakPolarHBondContact O-CB 3.16Å; F156-I160 WeakPolarHBondContact O-CD1 3.13Å; F156-I160 VanDerWaalsContact O-CG1 3.28Å; F156-I160 WeakPolarHBondContact O-CG1 3.5Å; F156-I160 PolarHBondContact O-N 2.86Å; F156-L186 HydrophobicContact CE2-CD1 4.19Å; F156-F190 HydrophobicContact CB-CE1 4.05Å; F156-F190 HydrophobicContact CB-CE2 4.04Å; F156-F190 HydrophobicContact CB-CZ 3.74Å
157	A	98.9	Very high	98.6	Very high	10 Å²	10	25.5 Å²	25.5	8%	0.083	14%	0.14	C	C	.	.	H	α-helix	trans	-59.6	-50.4	176.7	0	0	0	0	0	112	L153 A154 D155 I160 Q161 F190 Y194 I197	L153-A157 PolarHBondContact O-N 2.8Å; L153-A157 VanDerWaalsContact O-N 3.08Å; A154-A157 WeakPolarHBondContact O-CB 3.5Å; A154-A157 PolarHBondContact O-N 2.73Å; D155-A157 VanDerWaalsContact C-N 3.33Å; D155-A157 PolarHBondContact O-N 2.91Å; A157-I160 PolarHBondContact O-N 2.87Å; A157-Q161 WeakPolarHBondContact O-CG 3.31Å; A157-Q161 PolarHBondContact O-N 3.12Å; A157-Q161 VanDerWaalsContact O-N 3.12Å; A157-F190 HydrophobicContact CB-CE2 3.91Å; A157-F190 HydrophobicContact CB-CZ 4.17Å; A157-Y194 HydrophobicContact CB-CD1 3.89Å; A157-Y194 HydrophobicContact CB-CE1 3.93Å; A157-Y194 HydrophobicContact CB-CG 4.33Å; A157-I197 HydrophobicContact CB-CG1 4.44Å
158	V	98.8	Very high	98.5	Very high	59 Å²	59	30.2 Å²	30.2	36%	0.358	17%	0.171	S	C	.	.	H	α-helix	trans	-67.2	-41.6	-178.3	176.7	0	0	0	0	110.8	F55 A154 D155 I160 Q161 N162	F55-V158 HydrophobicContact CE1-CG1 3.71Å; F55-V158 HydrophobicContact CZ-CG1 3.73Å; A154-V158 WeakPolarHBondContact O-CG2 3.44Å; A154-V158 PolarHBondContact O-N 3.33Å; D155-V158 PolarHBondContact O-N 3.23Å; V158-I160 PolarHBondContact O-N 3.48Å; V158-Q161 PolarHBondContact O-N 3.47Å; V158-N162 WeakPolarHBondContact O-CB 3.26Å; V158-N162 PolarHBondContact O-N 3.09Å
159	L	98.9	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-45.2	177.4	177.5	59.8	0	0	0	111.7	F55 Y74 F90 A122 D155 Q161 N162 I163	F55-L159 HydrophobicContact CB-CD1 3.69Å; F55-L159 HydrophobicContact CD1-CB 4.4Å; F55-L159 HydrophobicContact CD1-CD1 4.04Å; F55-L159 HydrophobicContact CD2-CD1 4.5Å; F55-L159 HydrophobicContact CG-CD1 3.82Å; Y74-L159 HydrophobicContact CD1-CD1 3.98Å; Y74-L159 HydrophobicContact CD1-CD2 4.4Å; Y74-L159 HydrophobicContact CD2-CD1 4.48Å; Y74-L159 HydrophobicContact CE1-CD1 3.99Å; Y74-L159 HydrophobicContact CE2-CD1 4.46Å; Y74-L159 HydrophobicContact CG-CD1 4.25Å; Y74-L159 HydrophobicContact CG-CD2 4.09Å; F90-L159 HydrophobicContact CE2-CD2 4.17Å; F90-L159 HydrophobicContact CE2-CG 4.48Å; F90-L159 HydrophobicContact CZ-CD2 4.21Å; A122-L159 HydrophobicContact CB-CD2 3.62Å; D155-L159 VanDerWaalsContact O-CB 3.29Å; D155-L159 WeakPolarHBondContact O-CB 3.29Å; D155-L159 PolarHBondContact O-N 3.1Å; L159-Q161 PolarHBondContact O-N 3.17Å; L159-N162 PolarHBondContact O-N 3.28Å; L159-I163 HydrophobicContact CD1-CD1 4.05Å; L159-I163 HydrophobicContact CD1-CG1 4.26Å; L159-I163 HydrophobicContact CG-CD1 3.97Å; L159-I163 VanDerWaalsContact O-CG1 3.32Å; L159-I163 WeakPolarHBondContact O-CG1 3.29Å; L159-I163 PolarHBondContact O-N 3.01Å
160	I	98.9	Very high	98.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-44.3	177.2	-71.6	164.7	0	0	0	110.9	F90 F156 A157 V158 N162 I163 K164 V175 F190 I197 V198	F90-I160 HydrophobicContact CD1-CD1 4.09Å; F90-I160 HydrophobicContact CD2-CD1 3.78Å; F90-I160 HydrophobicContact CD2-CG1 3.51Å; F90-I160 HydrophobicContact CE1-CD1 4.2Å; F90-I160 HydrophobicContact CE2-CD1 3.9Å; F90-I160 HydrophobicContact CE2-CG1 3.42Å; F90-I160 VanDerWaalsContact CE2-CG1 3.42Å; F90-I160 HydrophobicContact CG-CD1 3.87Å; F90-I160 HydrophobicContact CG-CG1 4.14Å; F90-I160 HydrophobicContact CZ-CD1 4.09Å; F90-I160 HydrophobicContact CZ-CG1 3.99Å; F156-I160 WeakPolarHBondContact O-CB 3.16Å; F156-I160 WeakPolarHBondContact O-CD1 3.13Å; F156-I160 VanDerWaalsContact O-CG1 3.28Å; F156-I160 WeakPolarHBondContact O-CG1 3.5Å; F156-I160 PolarHBondContact O-N 2.86Å; A157-I160 PolarHBondContact O-N 2.87Å; V158-I160 PolarHBondContact O-N 3.48Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.27Å; I160-I163 PolarHBondContact O-N 3.26Å; I160-K164 HydrophobicContact CG2-CD 4.44Å; I160-K164 HydrophobicContact CG2-CG 4.48Å; I160-K164 WeakPolarHBondContact O-CG 3.34Å; I160-K164 PolarHBondContact O-N 3.24Å; I160-V175 HydrophobicContact CD1-CG1 4.04Å; I160-V175 HydrophobicContact CG2-CG2 3.94Å; I160-F190 HydrophobicContact CD1-CE1 3.52Å; I160-F190 HydrophobicContact CD1-CZ 3.82Å; I160-I197 HydrophobicContact CB-CG2 3.95Å; I160-I197 HydrophobicContact CD1-CG2 3.86Å; I160-I197 HydrophobicContact CG2-CG2 3.68Å; I160-V198 HydrophobicContact CD1-CG1 4.08Å
161	Q	98.6	Very high	98.1	Very high	88 Å²	88	32.8 Å²	32.8	41%	0.411	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-42.4	177.1	-74.3	-68.3	-10.3	0	0	111.9	A157 V158 L159 K164 T165 I197	A157-Q161 WeakPolarHBondContact O-CG 3.31Å; A157-Q161 PolarHBondContact O-N 3.12Å; A157-Q161 VanDerWaalsContact O-N 3.12Å; V158-Q161 PolarHBondContact O-N 3.47Å; L159-Q161 PolarHBondContact O-N 3.17Å; Q161-K164 PolarHBondContact O-N 3Å; Q161-T165 WeakPolarHBondContact O-CB 3.41Å; Q161-T165 PolarHBondContact O-N 3.39Å; Q161-T165 PolarHBondContact O-OG1 3.41Å; Q161-I197 HydrophobicContact CG-CD1 4Å
162	N	98.6	Very high	98	Very high	42 Å²	42	36.2 Å²	36.2	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-49.4	174.4	-179.4	66.7	0	0	0	111.2	F55 V158 L159 I160 K164 T165 I166	F55-N162 HydrophobicContact CD2-CB 4.2Å; F55-N162 WeakPolarHBondContact CD2-ND2 3.48Å; F55-N162 HydrophobicContact CE2-CB 3.63Å; F55-N162 WeakPolarHBondContact CE2-ND2 3.41Å; F55-N162 HydrophobicContact CZ-CB 4.01Å; V158-N162 WeakPolarHBondContact O-CB 3.26Å; V158-N162 PolarHBondContact O-N 3.09Å; L159-N162 PolarHBondContact O-N 3.28Å; I160-N162 VanDerWaalsContact C-N 3.33Å; I160-N162 PolarHBondContact O-N 3.27Å; N162-K164 VanDerWaalsContact C-N 3.35Å; N162-K164 PolarHBondContact O-N 3.02Å; N162-T165 WeakPolarHBondContact O-CA 3.39Å; N162-T165 WeakPolarHBondContact O-CB 3.47Å; N162-T165 PolarHBondContact O-N 2.94Å; N162-I166 WeakPolarHBondContact O-CG1 3.28Å; N162-I166 PolarHBondContact O-N 2.95Å
163	I	98.6	Very high	98	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-47.7	177	-70.3	168	0	0	0	111.1	Y74 I88 M118 V120 L159 I160 T165 I166 V167	Y74-I163 HydrophobicContact CD2-CD1 4.3Å; Y74-I163 HydrophobicContact CE2-CD1 4.01Å; Y74-I163 HydrophobicContact CE2-CG1 4.34Å; I88-I163 HydrophobicContact CD1-CG2 4.24Å; M118-I163 HydrophobicContact CE-CG2 3.74Å; V120-I163 HydrophobicContact CG1-CD1 3.92Å; V120-I163 HydrophobicContact CG2-CD1 4.12Å; L159-I163 HydrophobicContact CD1-CD1 4.05Å; L159-I163 HydrophobicContact CD1-CG1 4.26Å; L159-I163 HydrophobicContact CG-CD1 3.97Å; L159-I163 VanDerWaalsContact O-CG1 3.32Å; L159-I163 WeakPolarHBondContact O-CG1 3.29Å; L159-I163 PolarHBondContact O-N 3.01Å; I160-I163 PolarHBondContact O-N 3.26Å; I163-T165 PolarHBondContact O-N 2.94Å; I163-I166 PolarHBondContact O-N 2.78Å; I163-V167 HydrophobicContact CG2-CG2 4Å; I163-V167 VanDerWaalsContact O-CB 3.27Å; I163-V167 WeakPolarHBondContact O-CB 3.38Å; I163-V167 WeakPolarHBondContact O-CG2 3.26Å; I163-V167 PolarHBondContact O-N 2.92Å
164	K	98.2	Very high	97.9	Very high	27 Å²	27	36.3 Å²	36.3	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-26.2	177.7	-70	-168.2	-173.1	-170.7	0	113.4	I160 Q161 N162 Q171 S173	I160-K164 HydrophobicContact CG2-CD 4.44Å; I160-K164 HydrophobicContact CG2-CG 4.48Å; I160-K164 WeakPolarHBondContact O-CG 3.34Å; I160-K164 PolarHBondContact O-N 3.24Å; Q161-K164 PolarHBondContact O-N 3Å; N162-K164 VanDerWaalsContact C-N 3.35Å; N162-K164 PolarHBondContact O-N 3.02Å; K164-Q171 PolarHBondContact O-NE2 3.37Å; K164-S173 VanDerWaalsContact CE-O 3.23Å; K164-S173 WeakPolarHBondContact CE-O 3.35Å; K164-S173 PolarHBondContact NZ-O 2.7Å
165	T	97.8	Very high	97.9	Very high	101 Å²	101	36.1 Å²	36.1	62%	0.62	20%	0.203	S	C	*	.	H	α-helix	trans	-79.5	-50.2	177.1	-58.7	0	0	0	0	111.3	Q161 N162 I163	Q161-T165 WeakPolarHBondContact O-CB 3.41Å; Q161-T165 PolarHBondContact O-N 3.39Å; Q161-T165 PolarHBondContact O-OG1 3.41Å; N162-T165 WeakPolarHBondContact O-CA 3.39Å; N162-T165 WeakPolarHBondContact O-CB 3.47Å; N162-T165 PolarHBondContact O-N 2.94Å; I163-T165 PolarHBondContact O-N 2.94Å
166	I	96.9	Very high	97.9	Very high	95 Å²	95	36.1 Å²	36.1	49%	0.487	20%	0.203	S	C	.	.	H	α-helix	trans	-87.1	-23.2	-169.5	71.9	174.6	0	0	0	113.9	N162 I163 P168	N162-I166 WeakPolarHBondContact O-CG1 3.28Å; N162-I166 PolarHBondContact O-N 2.95Å; I163-I166 PolarHBondContact O-N 2.78Å; I166-P168 WeakPolarHBondContact O-CD 3.29Å
167	V	97.4	Very high	97.9	Very high	38 Å²	38	36.1 Å²	36.1	23%	0.23	20%	0.203	C	C	.	.	S	Bend	trans	-91.1	113.4	179.9	-177.4	0	0	0	0	109.1	W81 I163 G169 A170 Q171	W81-V167 HydrophobicContact CH2-CG1 3.66Å; W81-V167 HydrophobicContact CZ3-CG1 3.5Å; W81-V167 VanDerWaalsContact CZ3-CG1 3.5Å; I163-V167 HydrophobicContact CG2-CG2 4Å; I163-V167 VanDerWaalsContact O-CB 3.27Å; I163-V167 WeakPolarHBondContact O-CB 3.38Å; I163-V167 WeakPolarHBondContact O-CG2 3.26Å; I163-V167 PolarHBondContact O-N 2.92Å; V167-G169 PolarHBondContact O-N 3.39Å; V167-A170 HydrophobicContact CB-CB 3.81Å; V167-A170 HydrophobicContact CG1-CB 4.05Å; V167-A170 VanDerWaalsContact O-CB 3.31Å; V167-A170 WeakPolarHBondContact O-CB 3.32Å; V167-A170 PolarHBondContact O-N 3.31Å; V167-Q171 PolarHBondContact O-NE2 2.86Å
168	P	96.5	Very high	97.9	Very high	100 Å²	100	35.6 Å²	35.6	65%	0.649	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	132.5	177.9	-24.7	35.9	0	0	0	111.4	W81 I166 A170	W81-P168 WeakPolarHBondContact CH2-O 3.39Å; I166-P168 WeakPolarHBondContact O-CD 3.29Å; P168-A170 VanDerWaalsContact C-N 3.3Å; P168-A170 PolarHBondContact O-N 2.89Å
169	G	95.8	Very high	97.9	Very high	15 Å²	15	32.8 Å²	32.8	16%	0.155	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-2.6	-176.8	0	0	0	0	0	114.6	N85 V167 Q171	N85-G169 WeakPolarHBondContact CA-O 3.25Å; N85-G169 PolarHBondContact N-O 3.24Å; N85-G169 PolarHBondContact OD1-O 3.41Å; V167-G169 PolarHBondContact O-N 3.39Å; G169-Q171 VanDerWaalsContact C-OE1 3.29Å; G169-Q171 VanDerWaalsContact CA-OE1 3.25Å
170	A	97.4	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.			trans	-87.7	-9.2	179.3	0	0	0	0	0	114.6	W81 V167 P168 N172 S173	W81-A170 HydrophobicContact CH2-CB 3.78Å; W81-A170 HydrophobicContact CZ2-CB 3.87Å; V167-A170 HydrophobicContact CB-CB 3.81Å; V167-A170 HydrophobicContact CG1-CB 4.05Å; V167-A170 VanDerWaalsContact O-CB 3.31Å; V167-A170 WeakPolarHBondContact O-CB 3.32Å; V167-A170 PolarHBondContact O-N 3.31Å; P168-A170 VanDerWaalsContact C-N 3.3Å; P168-A170 PolarHBondContact O-N 2.89Å; A170-N172 VanDerWaalsContact C-N 3.31Å; A170-N172 PolarHBondContact O-N 3.48Å; A170-N172 VanDerWaalsContact O-N 3.15Å; A170-S173 VanDerWaalsContact CA-OG 3.25Å; A170-S173 WeakPolarHBondContact CA-OG 3.46Å; A170-S173 VanDerWaalsContact O-CB 3.27Å; A170-S173 WeakPolarHBondContact O-CB 3.4Å; A170-S173 PolarHBondContact O-N 3.48Å; A170-S173 PolarHBondContact O-OG 3.15Å
171	Q	96	Very high	97.9	Very high	90 Å²	90	33.5 Å²	33.5	42%	0.421	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-41.9	-165.5	-68.3	69.4	29	0	0	113.2	K164 V167 G169	K164-Q171 PolarHBondContact O-NE2 3.37Å; V167-Q171 PolarHBondContact O-NE2 2.86Å; G169-Q171 VanDerWaalsContact C-OE1 3.29Å; G169-Q171 VanDerWaalsContact CA-OE1 3.25Å
172	N	95.9	Very high	97.9	Very high	80 Å²	80	29.3 Å²	29.3	43%	0.428	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	19	179.9	-56.4	-54.7	0	0	0	112.9	N85 A170 P174 T498	N85-N172 HydrophobicContact CB-CB 4.38Å; N85-N172 WeakPolarHBondContact OD1-CA 3.36Å; N85-N172 WeakPolarHBondContact OD1-CB 3.27Å; N85-N172 PolarHBondContact OD1-N 2.81Å; A170-N172 VanDerWaalsContact C-N 3.31Å; A170-N172 PolarHBondContact O-N 3.48Å; A170-N172 VanDerWaalsContact O-N 3.15Å; N172-P174 WeakPolarHBondContact O-CD 3.14Å; N172-T498 HydrophobicContact CB-CG2 4.42Å
173	S	98.1	Very high	97.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	16%	0.157	C	C	.	.			trans	-64.9	127.4	179.8	-56.6	0	0	0	0	110.6	G86 K164 A170	G86-S173 WeakPolarHBondContact O-CB 3.48Å; G86-S173 PolarHBondContact O-OG 3.43Å; G86-S173 VanDerWaalsContact O-OG 3.09Å; K164-S173 VanDerWaalsContact CE-O 3.23Å; K164-S173 WeakPolarHBondContact CE-O 3.35Å; K164-S173 PolarHBondContact NZ-O 2.7Å; A170-S173 VanDerWaalsContact CA-OG 3.25Å; A170-S173 WeakPolarHBondContact CA-OG 3.46Å; A170-S173 VanDerWaalsContact O-CB 3.27Å; A170-S173 WeakPolarHBondContact O-CB 3.4Å; A170-S173 PolarHBondContact O-N 3.48Å; A170-S173 PolarHBondContact O-OG 3.15Å
174	P	98.4	Very high	97.9	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.032	16%	0.155	C	C	.	.			trans	-70	138.3	168.9	27.4	-30	0	0	0	109.7	P87 I88 N172 V199 I489 A492 Q493	P87-P174 CarbonylContact C-O 3.59Å; P87-P174 VanDerWaalsContact CA-O 3.28Å; P87-P174 WeakPolarHBondContact CA-O 3.45Å; P87-P174 HydrophobicContact CB-CG 4.15Å; I88-P174 PolarHBondContact N-O 2.98Å; N172-P174 WeakPolarHBondContact O-CD 3.14Å; P174-V199 HydrophobicContact CB-CG1 3.94Å; P174-V199 HydrophobicContact CB-CG2 4.02Å; P174-I489 HydrophobicContact CG-CB 4.37Å; P174-I489 HydrophobicContact CG-CG1 4.23Å; P174-I489 HydrophobicContact CG-CG2 3.94Å; P174-A492 HydrophobicContact CB-CB 3.8Å; P174-Q493 HydrophobicContact CG-CG 4.46Å
175	V	98.9	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.4	-177.2	-170.4	0	0	0	0	109.9	I88 F90 I160 V198 V199	I88-V175 HydrophobicContact CB-CB 4.45Å; I88-V175 HydrophobicContact CB-CG1 4.13Å; I88-V175 HydrophobicContact CB-CG2 4.09Å; I88-V175 HydrophobicContact CD1-CG2 4.2Å; I88-V175 HydrophobicContact CG1-CG2 4.46Å; I88-V175 HydrophobicContact CG2-CG1 4.29Å; I88-V175 CarbonylContact O-C 3.55Å; I88-V175 VanDerWaalsContact O-CA 3.3Å; I88-V175 WeakPolarHBondContact O-CA 3.32Å; F90-V175 HydrophobicContact CB-CG1 3.7Å; F90-V175 HydrophobicContact CG-CG1 4.5Å; I160-V175 HydrophobicContact CD1-CG1 4.04Å; I160-V175 HydrophobicContact CG2-CG2 3.94Å; V175-V198 HydrophobicContact CB-CG1 4.12Å; V175-V198 HydrophobicContact CG1-CG1 3.95Å; V175-V198 CarbonylContact O-C 3.54Å; V175-V198 VanDerWaalsContact O-CA 3.28Å; V175-V198 WeakPolarHBondContact O-CA 3.28Å; V175-V198 WeakPolarHBondContact O-CB 3.41Å; V175-V199 WeakPolarHBondContact O-CG2 3.24Å; V175-V199 PolarHBondContact O-N 3.43Å
176	I	98.9	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.3	173.2	-60.8	179.3	0	0	0	108	I88 L89 F90 I178 V199 G200 F485 W488 I489	I88-I176 PolarHBondContact O-N 3.3Å; L89-I176 HydrophobicContact CD2-CB 4.05Å; L89-I176 HydrophobicContact CD2-CD1 4.23Å; L89-I176 HydrophobicContact CD2-CG1 4.48Å; F90-I176 PolarHBondContact N-O 2.82Å; I176-I178 HydrophobicContact CG2-CD1 4.49Å; I176-I178 HydrophobicContact CG2-CG1 4.06Å; I176-V199 HydrophobicContact CG1-CG2 4.02Å; I176-G200 WeakPolarHBondContact CA-O 3.31Å; I176-F485 HydrophobicContact CD1-CB 3.54Å; I176-F485 HydrophobicContact CD1-CD1 3.77Å; I176-F485 HydrophobicContact CD1-CD2 4.19Å; I176-F485 HydrophobicContact CD1-CG 3.57Å; I176-F485 HydrophobicContact CG2-CD1 4.01Å; I176-F485 HydrophobicContact CG2-CE1 3.73Å; I176-F485 HydrophobicContact CG2-CZ 4Å; I176-W488 HydrophobicContact CD1-CE3 4.41Å; I176-I489 HydrophobicContact CD1-CD1 3.88Å; I176-I489 HydrophobicContact CD1-CG1 3.98Å
177	A	98.9	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.9	173.4	0	0	0	0	0	110.2	F90 T92 F190 V198 G200 A201 L202	F90-A177 CarbonylContact O-C 3.53Å; F90-A177 WeakPolarHBondContact O-CA 3.34Å; T92-A177 HydrophobicContact CG2-CB 4.42Å; A177-F190 HydrophobicContact CB-CD1 4.09Å; A177-V198 HydrophobicContact CB-CB 4.5Å; A177-V198 HydrophobicContact CB-CG1 4.31Å; A177-V198 HydrophobicContact CB-CG2 4.46Å; A177-G200 PolarHBondContact N-O 3.29Å; A177-A201 HydrophobicContact CB-CB 4.14Å; A177-A201 CarbonylContact O-C 3.56Å; A177-A201 WeakPolarHBondContact O-CA 3.13Å; A177-L202 PolarHBondContact O-N 3.41Å
178	I	98.9	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.3	-179.3	-56.4	176.4	0	0	0	108.7	L89 F90 Y91 T92 M108 I176 S187 L202 L463 F485	L89-I178 HydrophobicContact CB-CD1 4.01Å; L89-I178 HydrophobicContact CD1-CD1 4.39Å; L89-I178 HydrophobicContact CD2-CD1 4.27Å; L89-I178 HydrophobicContact CG-CD1 4.44Å; F90-I178 PolarHBondContact O-N 3.23Å; Y91-I178 CarbonylContact C-O 3.58Å; Y91-I178 WeakPolarHBondContact CA-O 3.33Å; T92-I178 PolarHBondContact N-O 2.93Å; T92-I178 PolarHBondContact OG1-O 2.91Å; M108-I178 HydrophobicContact CE-CD1 4.46Å; M108-I178 HydrophobicContact CG-CD1 3.71Å; M108-I178 HydrophobicContact CG-CG2 4.2Å; M108-I178 HydrophobicContact SD-CB 3.95Å; M108-I178 HydrophobicContact SD-CD1 4Å; M108-I178 HydrophobicContact SD-CG2 3.89Å; I176-I178 HydrophobicContact CG2-CD1 4.49Å; I176-I178 HydrophobicContact CG2-CG1 4.06Å; I178-S187 WeakPolarHBondContact CA-OG 3.28Å; I178-S187 PolarHBondContact N-OG 3.44Å; I178-S187 VanDerWaalsContact N-OG 3.11Å; I178-S187 PolarHBondContact O-OG 2.87Å; I178-S187 VanDerWaalsContact O-OG 3.1Å; I178-L202 WeakPolarHBondContact CA-O 3.42Å; I178-L202 HydrophobicContact CG1-CB 4.38Å; I178-L202 HydrophobicContact CG2-CB 4.41Å; I178-L202 HydrophobicContact CG2-CD2 4.3Å; I178-L463 HydrophobicContact CG2-CD2 3.81Å; I178-F485 HydrophobicContact CD1-CE2 3.79Å; I178-F485 HydrophobicContact CD1-CZ 3.88Å; I178-F485 HydrophobicContact CG1-CZ 4.13Å
179	G	98.9	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	153.3	173.3	0	0	0	0	0	112.8	G184 S187 L202 A204	G179-G184 VanDerWaalsContact C-CA 3.46Å; G179-G184 WeakPolarHBondContact O-CA 3.26Å; G179-G184 PolarHBondContact O-N 3.33Å; G179-S187 PolarHBondContact N-OG 2.9Å; G179-L202 PolarHBondContact N-O 3.38Å; G179-L202 VanDerWaalsContact N-O 3.13Å; G179-A204 PolarHBondContact O-N 3.1Å
180	G	98.7	Very high	98.5	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	150	172.4	0	0	0	0	0	111.4	Y182 G183 G184 A204	G180-Y182 PolarHBondContact O-N 3.49Å; G180-G183 CarbonylContact O-C 3.08Å; G180-G183 WeakPolarHBondContact O-CA 3.39Å; G180-G183 PolarHBondContact O-N 3.29Å; G180-G184 PolarHBondContact O-N 2.93Å; G180-G184 VanDerWaalsContact O-N 3.15Å; G180-A204 CarbonylContact C-O 3.18Å; G180-A204 VanDerWaalsContact CA-O 3.24Å; G180-A204 WeakPolarHBondContact CA-O 3.49Å
181	S	98.5	Very high	98.5	Very high	15 Å²	15	10.6 Å²	10.6	11%	0.105	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-131.9	176.1	-166.9	0	0	0	0	112.3	G183 G184 M185 A204 S205 H459	S181-G183 PolarHBondContact O-N 3.16Å; S181-G184 CarbonylContact O-C 3.59Å; S181-G184 VanDerWaalsContact O-CA 3.31Å; S181-G184 WeakPolarHBondContact O-CA 3.32Å; S181-G184 PolarHBondContact O-N 2.81Å; S181-M185 PolarHBondContact O-N 3.37Å; S181-A204 PolarHBondContact N-O 2.74Å; S181-S205 WeakPolarHBondContact CA-O 3.44Å; S181-H459 VanDerWaalsContact CB-NE2 3.31Å; S181-H459 WeakPolarHBondContact CB-NE2 3.07Å; S181-H459 PolarHBondContact OG-NE2 2.66Å
182	Y	98.8	Very high	98.7	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.036	C	C	.	.	H	α-helix	trans	-56.7	-31.7	169	170.7	-126.9	0	0	0	112.6	N94 E95 H124 G180 G184 M185 L186 W189 W363 Q366 M371	N94-Y182 HydrophobicContact CB-CD1 3.76Å; N94-Y182 HydrophobicContact CB-CG 4.39Å; E95-Y182 WeakPolarHBondContact OE2-CB 3.25Å; E95-Y182 WeakPolarHBondContact OE2-CD1 3.47Å; H124-Y182 AromaticContact CD2-CE1 3.7Å; H124-Y182 AromaticContact NE2-CE1 3.44Å; H124-Y182 WeakPolarHBondContact NE2-CE1 3.32Å; H124-Y182 AromaticContact NE2-CZ 3.55Å; H124-Y182 PolarHBondContact NE2-OH 2.91Å; G180-Y182 PolarHBondContact O-N 3.49Å; Y182-G184 VanDerWaalsContact C-N 3.26Å; Y182-G184 PolarHBondContact O-N 3.29Å; Y182-M185 HydrophobicContact CD2-CB 4.27Å; Y182-M185 HydrophobicContact CD2-CE 4.35Å; Y182-M185 HydrophobicContact CD2-SD 4.25Å; Y182-M185 WeakPolarHBondContact O-CB 3.33Å; Y182-M185 PolarHBondContact O-N 2.94Å; Y182-M185 VanDerWaalsContact O-N 3.14Å; Y182-L186 HydrophobicContact CD1-CD1 4.06Å; Y182-L186 HydrophobicContact CD2-CD1 4.41Å; Y182-L186 HydrophobicContact CD2-CG 4.15Å; Y182-L186 HydrophobicContact CE1-CD1 3.62Å; Y182-L186 HydrophobicContact CE1-CG 4.24Å; Y182-L186 HydrophobicContact CE2-CD1 4.01Å; Y182-L186 HydrophobicContact CE2-CD2 3.92Å; Y182-L186 HydrophobicContact CE2-CG 3.69Å; Y182-L186 HydrophobicContact CG-CD1 4.42Å; Y182-L186 WeakPolarHBondContact O-CG 3.44Å; Y182-L186 PolarHBondContact O-N 3.01Å; Y182-W189 HydrophobicContact CE2-CZ3 4.14Å; Y182-W363 HydrophobicContact CD1-CE3 4.44Å; Y182-W363 AromaticContact CD1-CZ3 3.73Å; Y182-W363 HydrophobicContact CD1-CZ3 3.73Å; Y182-W363 HydrophobicContact CD2-CH2 4.47Å; Y182-W363 HydrophobicContact CD2-CZ3 4.16Å; Y182-W363 HydrophobicContact CE1-CZ3 4.31Å; Y182-W363 HydrophobicContact CG-CH2 4.1Å; Y182-W363 AromaticContact CG-CZ3 3.67Å; Y182-W363 HydrophobicContact CG-CZ3 3.67Å; Y182-Q366 PolarHBondContact OH-NE2 3.15Å; Y182-M371 HydrophobicContact CD2-SD 4.47Å; Y182-M371 HydrophobicContact CE2-CE 3.95Å; Y182-M371 HydrophobicContact CE2-SD 4.25Å
183	G	98.9	Very high	98.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.1	-35.8	169.2	0	0	0	0	0	112.3	T92 N94 G180 S181 L186 S187	T92-G183 WeakPolarHBondContact O-CA 3.02Å; T92-G183 PolarHBondContact OG1-O 3.08Å; N94-G183 VanDerWaalsContact CB-N 3.3Å; G180-G183 CarbonylContact O-C 3.08Å; G180-G183 WeakPolarHBondContact O-CA 3.39Å; G180-G183 PolarHBondContact O-N 3.29Å; S181-G183 PolarHBondContact O-N 3.16Å; G183-L186 PolarHBondContact O-N 3.16Å; G183-S187 WeakPolarHBondContact O-CB 3.4Å; G183-S187 PolarHBondContact O-N 3.07Å; G183-S187 PolarHBondContact O-OG 3.33Å
184	G	98.9	Very high	98.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.6	-38.5	172.8	0	0	0	0	0	112.3	G179 G180 S181 Y182 S187 S188 A203 A206	G179-G184 VanDerWaalsContact C-CA 3.46Å; G179-G184 WeakPolarHBondContact O-CA 3.26Å; G179-G184 PolarHBondContact O-N 3.33Å; G180-G184 PolarHBondContact O-N 2.93Å; G180-G184 VanDerWaalsContact O-N 3.15Å; S181-G184 CarbonylContact O-C 3.59Å; S181-G184 VanDerWaalsContact O-CA 3.31Å; S181-G184 WeakPolarHBondContact O-CA 3.32Å; S181-G184 PolarHBondContact O-N 2.81Å; Y182-G184 VanDerWaalsContact C-N 3.26Å; Y182-G184 PolarHBondContact O-N 3.29Å; G184-S187 PolarHBondContact O-N 2.99Å; G184-S188 PolarHBondContact O-N 2.66Å; G184-A203 WeakPolarHBondContact O-CB 3.11Å; G184-A206 VanDerWaalsContact C-CB 3.43Å
185	M	98.9	Very high	98.9	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-58	-52.6	171.7	-61.8	164.5	58.8	0	0	109.6	S181 Y182 S187 S188 W189 A206 P207 I208 F211 M371	S181-M185 PolarHBondContact O-N 3.37Å; Y182-M185 HydrophobicContact CD2-CB 4.27Å; Y182-M185 HydrophobicContact CD2-CE 4.35Å; Y182-M185 HydrophobicContact CD2-SD 4.25Å; Y182-M185 WeakPolarHBondContact O-CB 3.33Å; Y182-M185 PolarHBondContact O-N 2.94Å; Y182-M185 VanDerWaalsContact O-N 3.14Å; M185-S187 PolarHBondContact O-N 2.66Å; M185-S188 PolarHBondContact O-N 3.2Å; M185-S188 PolarHBondContact O-OG 3.17Å; M185-W189 HydrophobicContact CB-CD2 4.29Å; M185-W189 HydrophobicContact CB-CE3 4.17Å; M185-W189 HydrophobicContact CB-CH2 3.98Å; M185-W189 HydrophobicContact CB-CZ2 4.03Å; M185-W189 HydrophobicContact CB-CZ3 4.01Å; M185-W189 HydrophobicContact CE-CH2 3.23Å; M185-W189 HydrophobicContact CE-CZ2 3.62Å; M185-W189 HydrophobicContact CE-CZ3 4.09Å; M185-W189 WeakPolarHBondContact O-CB 3.41Å; M185-W189 VanDerWaalsContact O-CD2 3.32Å; M185-W189 PolarHBondContact O-N 3.17Å; M185-A206 HydrophobicContact CG-CB 4.2Å; M185-P207 HydrophobicContact CG-CG 4.49Å; M185-P207 HydrophobicContact SD-CG 3.76Å; M185-I208 HydrophobicContact CB-CG2 4.08Å; M185-I208 HydrophobicContact CG-CG2 3.81Å; M185-F211 HydrophobicContact CE-CE2 3.99Å; M185-F211 HydrophobicContact CE-CZ 3.81Å; M185-M371 HydrophobicContact CE-SD 3.88Å
186	L	99	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-54.8	-48.3	174.8	-72	168.4	0	0	0	112	G93 L153 F156 Y182 G183 S188 W189 F190	G93-L186 WeakPolarHBondContact O-CD1 3.21Å; L153-L186 HydrophobicContact CD2-CB 4.29Å; L153-L186 HydrophobicContact CD2-CD2 3.75Å; L153-L186 WeakPolarHBondContact CD2-O 3.23Å; L153-L186 HydrophobicContact CG-CD2 4.1Å; F156-L186 HydrophobicContact CE2-CD1 4.19Å; Y182-L186 HydrophobicContact CD1-CD1 4.06Å; Y182-L186 HydrophobicContact CD2-CD1 4.41Å; Y182-L186 HydrophobicContact CD2-CG 4.15Å; Y182-L186 HydrophobicContact CE1-CD1 3.62Å; Y182-L186 HydrophobicContact CE1-CG 4.24Å; Y182-L186 HydrophobicContact CE2-CD1 4.01Å; Y182-L186 HydrophobicContact CE2-CD2 3.92Å; Y182-L186 HydrophobicContact CE2-CG 3.69Å; Y182-L186 HydrophobicContact CG-CD1 4.42Å; Y182-L186 WeakPolarHBondContact O-CG 3.44Å; Y182-L186 PolarHBondContact O-N 3.01Å; G183-L186 PolarHBondContact O-N 3.16Å; L186-S188 PolarHBondContact O-N 2.78Å; L186-W189 HydrophobicContact CD2-CE3 4.49Å; L186-W189 PolarHBondContact O-N 3.37Å; L186-F190 WeakPolarHBondContact O-CA 3.02Å; L186-F190 WeakPolarHBondContact O-CB 3.47Å; L186-F190 PolarHBondContact O-N 2.71Å
187	S	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59	-44.1	178	-85.4	0	0	0	0	113.1	T92 I178 G179 G183 G184 M185 R191 A201	T92-S187 PolarHBondContact OG1-N 3.28Å; T92-S187 PolarHBondContact OG1-OG 3.27Å; I178-S187 WeakPolarHBondContact CA-OG 3.28Å; I178-S187 PolarHBondContact N-OG 3.44Å; I178-S187 VanDerWaalsContact N-OG 3.11Å; I178-S187 PolarHBondContact O-OG 2.87Å; I178-S187 VanDerWaalsContact O-OG 3.1Å; G179-S187 PolarHBondContact N-OG 2.9Å; G183-S187 WeakPolarHBondContact O-CB 3.4Å; G183-S187 PolarHBondContact O-N 3.07Å; G183-S187 PolarHBondContact O-OG 3.33Å; G184-S187 PolarHBondContact O-N 2.99Å; M185-S187 PolarHBondContact O-N 2.66Å; S187-R191 PolarHBondContact O-N 3.08Å; S187-R191 VanDerWaalsContact O-N 3.16Å; S187-A201 VanDerWaalsContact O-CB 3.26Å; S187-A201 WeakPolarHBondContact O-CB 3.39Å
188	S	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-49	176.6	75.8	0	0	0	0	111.4	G184 M185 L186 F190 R191 M192 I208	G184-S188 PolarHBondContact O-N 2.66Å; M185-S188 PolarHBondContact O-N 3.2Å; M185-S188 PolarHBondContact O-OG 3.17Å; L186-S188 PolarHBondContact O-N 2.78Å; S188-F190 VanDerWaalsContact C-N 3.28Å; S188-F190 PolarHBondContact O-N 3.2Å; S188-R191 PolarHBondContact O-N 3.4Å; S188-M192 VanDerWaalsContact O-CG 3.25Å; S188-M192 WeakPolarHBondContact O-CG 3.37Å; S188-M192 PolarHBondContact O-N 2.74Å; S188-I208 WeakPolarHBondContact OG-CG2 3.14Å
189	W	98.9	Very high	98.7	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-33.7	-180	-63.2	-21.5	0	0	0	112	L153 Y182 M185 L186 M192 K193 F211 M371 Y415	L153-W189 HydrophobicContact CD1-CB 3.92Å; Y182-W189 HydrophobicContact CE2-CZ3 4.14Å; M185-W189 HydrophobicContact CB-CD2 4.29Å; M185-W189 HydrophobicContact CB-CE3 4.17Å; M185-W189 HydrophobicContact CB-CH2 3.98Å; M185-W189 HydrophobicContact CB-CZ2 4.03Å; M185-W189 HydrophobicContact CB-CZ3 4.01Å; M185-W189 HydrophobicContact CE-CH2 3.23Å; M185-W189 HydrophobicContact CE-CZ2 3.62Å; M185-W189 HydrophobicContact CE-CZ3 4.09Å; M185-W189 WeakPolarHBondContact O-CB 3.41Å; M185-W189 VanDerWaalsContact O-CD2 3.32Å; M185-W189 PolarHBondContact O-N 3.17Å; L186-W189 HydrophobicContact CD2-CE3 4.49Å; L186-W189 PolarHBondContact O-N 3.37Å; W189-M192 WeakPolarHBondContact O-CB 3.42Å; W189-M192 PolarHBondContact O-N 2.99Å; W189-K193 WeakPolarHBondContact O-CB 3.39Å; W189-K193 WeakPolarHBondContact O-CG 3.18Å; W189-K193 PolarHBondContact O-N 3.14Å; W189-F211 HydrophobicContact CH2-CZ 4.25Å; W189-F211 HydrophobicContact CZ2-CE2 4.24Å; W189-F211 HydrophobicContact CZ2-CZ 4.33Å; W189-M371 HydrophobicContact CH2-CE 3.94Å; W189-M371 HydrophobicContact CH2-SD 3.98Å; W189-M371 HydrophobicContact CZ3-CE 3.84Å; W189-M371 HydrophobicContact CZ3-SD 4.35Å; W189-Y415 HydrophobicContact CB-CD1 3.6Å; W189-Y415 HydrophobicContact CB-CE1 3.65Å; W189-Y415 HydrophobicContact CB-CG 4.39Å; W189-Y415 AromaticContact CD1-CD1 3.65Å; W189-Y415 AromaticContact CD1-CG 3.62Å; W189-Y415 AromaticContact CD2-CD1 3.71Å; W189-Y415 HydrophobicContact CD2-CD1 3.71Å; W189-Y415 AromaticContact CD2-CD2 3.71Å; W189-Y415 HydrophobicContact CD2-CD2 3.71Å; W189-Y415 AromaticContact CD2-CE1 3.84Å; W189-Y415 HydrophobicContact CD2-CE1 3.84Å; W189-Y415 AromaticContact CD2-CE2 3.84Å; W189-Y415 HydrophobicContact CD2-CE2 3.84Å; W189-Y415 AromaticContact CD2-CG 3.65Å; W189-Y415 HydrophobicContact CD2-CG 3.65Å; W189-Y415 AromaticContact CD2-CZ 3.89Å; W189-Y415 AromaticContact CE2-CD2 3.54Å; W189-Y415 AromaticContact CE2-CG 3.58Å; W189-Y415 HydrophobicContact CE3-CD1 4.34Å; W189-Y415 HydrophobicContact CE3-CD2 4.03Å; W189-Y415 HydrophobicContact CE3-CE1 4.01Å; W189-Y415 AromaticContact CE3-CE2 3.68Å; W189-Y415 HydrophobicContact CE3-CE2 3.68Å; W189-Y415 HydrophobicContact CE3-CG 4.35Å; W189-Y415 AromaticContact CE3-CZ 3.66Å; W189-Y415 AromaticContact CG-CD1 3.37Å; W189-Y415 HydrophobicContact CG-CD1 3.37Å; W189-Y415 HydrophobicContact CG-CD2 4.23Å; W189-Y415 AromaticContact CG-CE1 3.72Å; W189-Y415 HydrophobicContact CG-CE1 3.72Å; W189-Y415 AromaticContact CG-CG 3.66Å; W189-Y415 HydrophobicContact CG-CG 3.66Å; W189-Y415 AromaticContact CH2-CD2 3.94Å; W189-Y415 HydrophobicContact CH2-CD2 3.94Å; W189-Y415 AromaticContact CH2-CE2 3.9Å; W189-Y415 HydrophobicContact CH2-CE2 3.9Å; W189-Y415 AromaticContact CZ2-CD2 3.67Å; W189-Y415 HydrophobicContact CZ2-CD2 3.67Å; W189-Y415 HydrophobicContact CZ2-CE2 4.11Å; W189-Y415 HydrophobicContact CZ2-CG 4.18Å; W189-Y415 HydrophobicContact CZ3-CD2 4.14Å; W189-Y415 AromaticContact CZ3-CE2 3.71Å; W189-Y415 HydrophobicContact CZ3-CE2 3.71Å; W189-Y415 AromaticContact NE1-CG 3.58Å
190	F	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-44.4	175.9	-165	-139.8	0	0	0	111.2	T92 L153 F156 A157 I160 A177 L186 S188 M192 K193 Y194 I197 V198	T92-F190 HydrophobicContact CG2-CD1 4.3Å; L153-F190 HydrophobicContact CB-CD2 4.32Å; L153-F190 HydrophobicContact CD2-CB 3.71Å; L153-F190 HydrophobicContact CD2-CD2 3.99Å; L153-F190 HydrophobicContact CD2-CG 4.18Å; L153-F190 VanDerWaalsContact O-CE2 3.27Å; L153-F190 WeakPolarHBondContact O-CE2 3.49Å; F156-F190 HydrophobicContact CB-CE1 4.05Å; F156-F190 HydrophobicContact CB-CE2 4.04Å; F156-F190 HydrophobicContact CB-CZ 3.74Å; A157-F190 HydrophobicContact CB-CE2 3.91Å; A157-F190 HydrophobicContact CB-CZ 4.17Å; I160-F190 HydrophobicContact CD1-CE1 3.52Å; I160-F190 HydrophobicContact CD1-CZ 3.82Å; A177-F190 HydrophobicContact CB-CD1 4.09Å; L186-F190 WeakPolarHBondContact O-CA 3.02Å; L186-F190 WeakPolarHBondContact O-CB 3.47Å; L186-F190 PolarHBondContact O-N 2.71Å; S188-F190 VanDerWaalsContact C-N 3.28Å; S188-F190 PolarHBondContact O-N 3.2Å; F190-M192 VanDerWaalsContact C-N 3.31Å; F190-M192 PolarHBondContact O-N 3Å; F190-K193 PolarHBondContact O-N 2.95Å; F190-Y194 AromaticContact CD2-CD2 3.52Å; F190-Y194 HydrophobicContact CD2-CD2 3.52Å; F190-Y194 HydrophobicContact CD2-CE2 4.3Å; F190-Y194 HydrophobicContact CD2-CG 4.08Å; F190-Y194 AromaticContact CE2-CD2 3.62Å; F190-Y194 HydrophobicContact CE2-CD2 3.62Å; F190-Y194 HydrophobicContact CE2-CE2 4.34Å; F190-Y194 AromaticContact CE2-CG 3.82Å; F190-Y194 HydrophobicContact CE2-CG 3.82Å; F190-Y194 WeakPolarHBondContact O-CA 3.23Å; F190-Y194 WeakPolarHBondContact O-CB 3.42Å; F190-Y194 PolarHBondContact O-N 2.8Å; F190-I197 HydrophobicContact CE1-CG2 4.48Å; F190-I197 HydrophobicContact CZ-CB 4.5Å; F190-I197 HydrophobicContact CZ-CG2 4.02Å; F190-V198 HydrophobicContact CD1-CG1 3.67Å; F190-V198 HydrophobicContact CD1-CG2 4.07Å; F190-V198 HydrophobicContact CE1-CG1 3.37Å; F190-V198 HydrophobicContact CE1-CG2 4.45Å; F190-V198 HydrophobicContact CZ-CG1 4.29Å
191	R	98.9	Very high	98.8	Very high	24 Å²	24	21.3 Å²	21.3	9%	0.091	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-34.9	172.5	175.2	57.4	-172.1	170.5	7.4	112.4	S187 S188 P195 V198 V199 A201 S424 I426	S187-R191 PolarHBondContact O-N 3.08Å; S187-R191 VanDerWaalsContact O-N 3.16Å; S188-R191 PolarHBondContact O-N 3.4Å; R191-P195 PolarHBondContact NH1-O 3.32Å; R191-P195 WeakPolarHBondContact O-CB 3.18Å; R191-V198 HydrophobicContact CB-CG2 4.05Å; R191-V198 PolarHBondContact NH1-O 2.84Å; R191-V199 PolarHBondContact NH1-O 3.26Å; R191-A201 HydrophobicContact CB-CB 3.77Å; R191-A201 HydrophobicContact CG-CB 4.41Å; R191-S424 PolarHBondContact NE-O 3.43Å; R191-S424 PolarHBondContact NH2-OG 3.37Å; R191-I426 HydrophobicContact CB-CD1 4.22Å; R191-I426 HydrophobicContact CB-CG1 4.16Å; R191-I426 HydrophobicContact CG-CD1 4.04Å; R191-I426 HydrophobicContact CG-CG1 3.69Å
192	M	98.9	Very high	98.8	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.064	10%	0.103	C	C	.	.	H	α-helix	trans	-68.1	-40.1	177.6	-66.9	173.8	-170.3	0	0	112.7	S188 W189 F190 I420 H423 I426 F428	S188-M192 VanDerWaalsContact O-CG 3.25Å; S188-M192 WeakPolarHBondContact O-CG 3.37Å; S188-M192 PolarHBondContact O-N 2.74Å; W189-M192 WeakPolarHBondContact O-CB 3.42Å; W189-M192 PolarHBondContact O-N 2.99Å; F190-M192 VanDerWaalsContact C-N 3.31Å; F190-M192 PolarHBondContact O-N 3Å; M192-I420 HydrophobicContact CE-CB 4.16Å; M192-I420 HydrophobicContact CE-CD1 3.82Å; M192-I420 HydrophobicContact CE-CG2 3.98Å; M192-I420 HydrophobicContact SD-CG2 4.1Å; M192-H423 HydrophobicContact CG-CB 4.15Å; M192-I426 HydrophobicContact CE-CD1 3.75Å; M192-I426 HydrophobicContact CG-CD1 3.88Å; M192-F428 HydrophobicContact CE-CZ 4.1Å
193	K	98.8	Very high	98.8	Very high	102 Å²	102	20.6 Å²	20.6	44%	0.443	10%	0.103	S	C	.	.	H	α-helix	trans	-93	-33.2	-174	-66.3	-64.3	-175.6	178.1	0	114.1	W189 F190 P195 V414	W189-K193 WeakPolarHBondContact O-CB 3.39Å; W189-K193 WeakPolarHBondContact O-CG 3.18Å; W189-K193 PolarHBondContact O-N 3.14Å; F190-K193 PolarHBondContact O-N 2.95Å; K193-P195 WeakPolarHBondContact O-CD 3.43Å; K193-V414 WeakPolarHBondContact CE-O 3.48Å; K193-V414 PolarHBondContact NZ-O 3.33Å
194	Y	98.8	Very high	98.8	Very high	59 Å²	59	20.6 Å²	20.6	23%	0.231	10%	0.103	C	C	.	.			trans	-124.3	53.9	-177	-60	-89.2	0	0	0	112.1	L153 A157 F190 N196 I197 V198	L153-Y194 HydrophobicContact CB-CE2 4.02Å; A157-Y194 HydrophobicContact CB-CD1 3.89Å; A157-Y194 HydrophobicContact CB-CE1 3.93Å; A157-Y194 HydrophobicContact CB-CG 4.33Å; F190-Y194 AromaticContact CD2-CD2 3.52Å; F190-Y194 HydrophobicContact CD2-CD2 3.52Å; F190-Y194 HydrophobicContact CD2-CE2 4.3Å; F190-Y194 HydrophobicContact CD2-CG 4.08Å; F190-Y194 AromaticContact CE2-CD2 3.62Å; F190-Y194 HydrophobicContact CE2-CD2 3.62Å; F190-Y194 HydrophobicContact CE2-CE2 4.34Å; F190-Y194 AromaticContact CE2-CG 3.82Å; F190-Y194 HydrophobicContact CE2-CG 3.82Å; F190-Y194 WeakPolarHBondContact O-CA 3.23Å; F190-Y194 WeakPolarHBondContact O-CB 3.42Å; F190-Y194 PolarHBondContact O-N 2.8Å; Y194-N196 PolarHBondContact O-N 2.86Å; Y194-N196 VanDerWaalsContact O-N 3.1Å; Y194-I197 HydrophobicContact CD1-CG1 4.26Å; Y194-I197 HydrophobicContact CG-CG1 4.45Å; Y194-I197 PolarHBondContact O-N 3.37Å; Y194-V198 PolarHBondContact O-N 3.15Å
195	P	98.4	Very high	98.8	Very high	66 Å²	66	20.6 Å²	20.6	43%	0.429	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.3	-178.9	29.5	-36.7	0	0	0	113.8	R191 K193	R191-P195 PolarHBondContact NH1-O 3.32Å; R191-P195 WeakPolarHBondContact O-CB 3.18Å; K193-P195 WeakPolarHBondContact O-CD 3.43Å
196	N	97.4	Very high	98.8	Very high	124 Å²	124	20.5 Å²	20.5	66%	0.663	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.2	171.2	63.4	-54.6	0	0	0	113.2	Y194	Y194-N196 PolarHBondContact O-N 2.86Å; Y194-N196 VanDerWaalsContact O-N 3.1Å
197	I	98.6	Very high	98.8	Very high	9 Å²	9	20.7 Å²	20.7	5%	0.046	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-48.3	-179.1	-54.7	-60.5	0	0	0	110.9	A157 I160 Q161 F190 Y194	A157-I197 HydrophobicContact CB-CG1 4.44Å; I160-I197 HydrophobicContact CB-CG2 3.95Å; I160-I197 HydrophobicContact CD1-CG2 3.86Å; I160-I197 HydrophobicContact CG2-CG2 3.68Å; Q161-I197 HydrophobicContact CG-CD1 4Å; F190-I197 HydrophobicContact CE1-CG2 4.48Å; F190-I197 HydrophobicContact CZ-CB 4.5Å; F190-I197 HydrophobicContact CZ-CG2 4.02Å; Y194-I197 HydrophobicContact CD1-CG1 4.26Å; Y194-I197 HydrophobicContact CG-CG1 4.45Å; Y194-I197 PolarHBondContact O-N 3.37Å
198	V	98.8	Very high	98.7	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.106	C	C	.	.			trans	-114.8	137.8	-178.9	-61.2	0	0	0	0	110.9	I160 V175 A177 F190 R191 Y194	I160-V198 HydrophobicContact CD1-CG1 4.08Å; V175-V198 HydrophobicContact CB-CG1 4.12Å; V175-V198 HydrophobicContact CG1-CG1 3.95Å; V175-V198 CarbonylContact O-C 3.54Å; V175-V198 VanDerWaalsContact O-CA 3.28Å; V175-V198 WeakPolarHBondContact O-CA 3.28Å; V175-V198 WeakPolarHBondContact O-CB 3.41Å; A177-V198 HydrophobicContact CB-CB 4.5Å; A177-V198 HydrophobicContact CB-CG1 4.31Å; A177-V198 HydrophobicContact CB-CG2 4.46Å; F190-V198 HydrophobicContact CD1-CG1 3.67Å; F190-V198 HydrophobicContact CD1-CG2 4.07Å; F190-V198 HydrophobicContact CE1-CG1 3.37Å; F190-V198 HydrophobicContact CE1-CG2 4.45Å; F190-V198 HydrophobicContact CZ-CG1 4.29Å; R191-V198 HydrophobicContact CB-CG2 4.05Å; R191-V198 PolarHBondContact NH1-O 2.84Å; Y194-V198 PolarHBondContact O-N 3.15Å
199	V	98.7	Very high	98.7	Very high	28 Å²	28	22.3 Å²	22.3	17%	0.17	11%	0.111	C	C	.	.	S	Bend	trans	-86.3	-16.2	-174.6	-55.7	0	0	0	0	113.2	P174 V175 I176 R191 N425 W488 A492	P174-V199 HydrophobicContact CB-CG1 3.94Å; P174-V199 HydrophobicContact CB-CG2 4.02Å; V175-V199 WeakPolarHBondContact O-CG2 3.24Å; V175-V199 PolarHBondContact O-N 3.43Å; I176-V199 HydrophobicContact CG1-CG2 4.02Å; R191-V199 PolarHBondContact NH1-O 3.26Å; V199-N425 WeakPolarHBondContact O-CB 3.37Å; V199-N425 PolarHBondContact O-ND2 3.05Å; V199-W488 HydrophobicContact CG2-CB 4.15Å; V199-A492 HydrophobicContact CB-CB 4.32Å; V199-A492 HydrophobicContact CG1-CB 3.68Å
200	G	98.9	Very high	98.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	174.8	175.2	0	0	0	0	0	111.6	I176 A177 N425	I176-G200 WeakPolarHBondContact CA-O 3.31Å; A177-G200 PolarHBondContact N-O 3.29Å; G200-N425 CarbonylContact C-O 3.16Å; G200-N425 WeakPolarHBondContact CA-O 3.31Å
201	A	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.2	179	0	0	0	0	0	113.1	A177 S187 R191 N425 I426 I427	A177-A201 HydrophobicContact CB-CB 4.14Å; A177-A201 CarbonylContact O-C 3.56Å; A177-A201 WeakPolarHBondContact O-CA 3.13Å; S187-A201 VanDerWaalsContact O-CB 3.26Å; S187-A201 WeakPolarHBondContact O-CB 3.39Å; R191-A201 HydrophobicContact CB-CB 3.77Å; R191-A201 HydrophobicContact CG-CB 4.41Å; A201-N425 PolarHBondContact N-O 3.49Å; A201-I426 HydrophobicContact CB-CG1 4.48Å; A201-I426 HydrophobicContact CB-CG2 4.31Å; A201-I426 WeakPolarHBondContact O-CA 3.44Å; A201-I427 PolarHBondContact O-N 3.36Å
202	L	98.9	Very high	98.4	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	-106.5	111.1	160.7	173.5	59.2	0	0	0	108.4	F107 A177 I178 G179 I427 L463 E481 F485	F107-L202 HydrophobicContact CD1-CD2 4.4Å; F107-L202 HydrophobicContact CE1-CD2 4.08Å; A177-L202 PolarHBondContact O-N 3.41Å; I178-L202 WeakPolarHBondContact CA-O 3.42Å; I178-L202 HydrophobicContact CG1-CB 4.38Å; I178-L202 HydrophobicContact CG2-CB 4.41Å; I178-L202 HydrophobicContact CG2-CD2 4.3Å; G179-L202 PolarHBondContact N-O 3.38Å; G179-L202 VanDerWaalsContact N-O 3.13Å; L202-I427 HydrophobicContact CD1-CB 3.83Å; L202-I427 HydrophobicContact CD1-CD1 4.46Å; L202-I427 HydrophobicContact CD1-CG2 3.59Å; L202-L463 HydrophobicContact CD2-CD2 3.82Å; L202-E481 HydrophobicContact CD1-CG 4.05Å; L202-E481 HydrophobicContact CD2-CG 4.37Å; L202-F485 HydrophobicContact CB-CE1 3.88Å; L202-F485 HydrophobicContact CB-CZ 3.7Å; L202-F485 HydrophobicContact CD2-CZ 3.85Å; L202-F485 HydrophobicContact CG-CZ 4.41Å
203	A	98.9	Very high	98.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	86.3	177.7	0	0	0	0	0	108.8	G184 A206 I426 I427 F428 S429	G184-A203 WeakPolarHBondContact O-CB 3.11Å; A203-A206 HydrophobicContact CB-CB 3.87Å; A203-I426 HydrophobicContact CB-CG2 4.35Å; A203-I427 PolarHBondContact N-O 3.05Å; A203-F428 HydrophobicContact CB-CD1 3.87Å; A203-F428 HydrophobicContact CB-CE1 4.16Å; A203-F428 WeakPolarHBondContact O-CA 3.22Å; A203-S429 PolarHBondContact O-N 3.14Å
204	A	98.9	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.1	-174.7	0	0	0	0	0	111.4	G179 G180 S181 A206 S429 H460 D462 L463	G179-A204 PolarHBondContact O-N 3.1Å; G180-A204 CarbonylContact C-O 3.18Å; G180-A204 VanDerWaalsContact CA-O 3.24Å; G180-A204 WeakPolarHBondContact CA-O 3.49Å; S181-A204 PolarHBondContact N-O 2.74Å; A204-A206 PolarHBondContact O-N 3.23Å; A204-S429 VanDerWaalsContact CA-OG 3.25Å; A204-S429 WeakPolarHBondContact CA-OG 3.28Å; A204-S429 WeakPolarHBondContact CB-OG 3.2Å; A204-H460 HydrophobicContact CB-CB 3.87Å; A204-D462 WeakPolarHBondContact CB-OD2 3.26Å; A204-L463 HydrophobicContact CB-CD1 3.72Å; A204-L463 HydrophobicContact CB-CD2 4.14Å; A204-L463 HydrophobicContact CB-CG 3.68Å
205	S	98.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	47.5	-177.8	-56.7	0	0	0	0	112.3	S181 P207 S429 D434 H460	S181-S205 WeakPolarHBondContact CA-O 3.44Å; S205-P207 VanDerWaalsContact O-CD 3.29Å; S205-P207 WeakPolarHBondContact O-CD 3.49Å; S205-S429 WeakPolarHBondContact CA-O 3.21Å; S205-S429 PolarHBondContact N-O 3.34Å; S205-D434 WeakPolarHBondContact CB-OD2 3.29Å; S205-D434 PolarHBondContact OG-OD2 3.37Å; S205-H460 VanDerWaalsContact OG-CA 3.28Å; S205-H460 WeakPolarHBondContact OG-CA 3.27Å; S205-H460 PolarHBondContact OG-N 3.11Å
206	A	98.8	Very high	97.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	15%	0.149	C	C	.	.			trans	-95.7	107.7	-174.6	0	0	0	0	0	110.8	G184 M185 A203 A204 I208	G184-A206 VanDerWaalsContact C-CB 3.43Å; M185-A206 HydrophobicContact CG-CB 4.2Å; A203-A206 HydrophobicContact CB-CB 3.87Å; A204-A206 PolarHBondContact O-N 3.23Å; A206-I208 HydrophobicContact CB-CG2 4.19Å; A206-I208 PolarHBondContact O-N 2.86Å
207	P	98.6	Very high	97.8	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.019	13%	0.13	C	C	.	.			trans	-81	55.7	-176.3	34.6	-37.9	0	0	0	112.3	M185 S205 W209 Q210 W436 G439	M185-P207 HydrophobicContact CG-CG 4.49Å; M185-P207 HydrophobicContact SD-CG 3.76Å; S205-P207 VanDerWaalsContact O-CD 3.29Å; S205-P207 WeakPolarHBondContact O-CD 3.49Å; P207-W209 PolarHBondContact O-N 3.41Å; P207-Q210 HydrophobicContact CB-CB 3.96Å; P207-Q210 PolarHBondContact O-N 3.5Å; P207-W436 HydrophobicContact CB-CB 4.43Å; P207-W436 HydrophobicContact CB-CE3 3.74Å; P207-W436 HydrophobicContact CB-CZ3 4.43Å; P207-W436 HydrophobicContact CG-CD2 4.29Å; P207-W436 HydrophobicContact CG-CE3 3.64Å; P207-W436 HydrophobicContact CG-CZ3 4.16Å; P207-G439 CarbonylContact C-O 3.55Å; P207-G439 VanDerWaalsContact CA-O 3.23Å; P207-G439 WeakPolarHBondContact CA-O 3.4Å
208	I	98.6	Very high	97.8	Very high	7 Å²	7	23.2 Å²	23.2	4%	0.036	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9.9	-174.8	64.2	154.8	0	0	0	114.4	M185 S188 A206 I420 F428 G439 V441	M185-I208 HydrophobicContact CB-CG2 4.08Å; M185-I208 HydrophobicContact CG-CG2 3.81Å; S188-I208 WeakPolarHBondContact OG-CG2 3.14Å; A206-I208 HydrophobicContact CB-CG2 4.19Å; A206-I208 PolarHBondContact O-N 2.86Å; I208-I420 HydrophobicContact CD1-CD1 3.8Å; I208-F428 HydrophobicContact CD1-CD1 4.47Å; I208-F428 HydrophobicContact CD1-CE1 3.64Å; I208-F428 HydrophobicContact CD1-CZ 3.96Å; I208-F428 HydrophobicContact CG1-CE1 4.3Å; I208-G439 PolarHBondContact N-O 3.15Å; I208-V441 HydrophobicContact CD1-CG2 3.65Å; I208-V441 HydrophobicContact CG1-CG2 3.85Å
209	W	98.6	Very high	97.8	Very high	27 Å²	27	25.7 Å²	25.7	10%	0.102	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	9.3	176.2	-61.5	-21.7	0	0	0	113.1	P207 F211 M214 V215 G417 K418 G439 G440 V441 I445	P207-W209 PolarHBondContact O-N 3.41Å; W209-F211 PolarHBondContact O-N 2.83Å; W209-M214 HydrophobicContact CB-CB 4.2Å; W209-M214 HydrophobicContact CB-SD 4.34Å; W209-M214 WeakPolarHBondContact O-CB 3.02Å; W209-V215 HydrophobicContact CB-CG1 4.24Å; W209-V215 WeakPolarHBondContact O-CG2 3.2Å; W209-G417 PolarHBondContact NE1-O 3.27Å; W209-G417 VanDerWaalsContact NE1-O 3.08Å; W209-K418 HydrophobicContact CD2-CD 4.39Å; W209-K418 HydrophobicContact CD2-CG 3.92Å; W209-K418 HydrophobicContact CG-CG 4.05Å; W209-K418 HydrophobicContact CZ2-CB 4.4Å; W209-K418 HydrophobicContact CZ2-CG 4.19Å; W209-G439 CarbonylContact C-O 3.58Å; W209-G439 WeakPolarHBondContact CA-O 3.48Å; W209-G439 WeakPolarHBondContact CB-O 3.34Å; W209-G439 PolarHBondContact N-O 2.74Å; W209-G440 VanDerWaalsContact CE3-O 3.3Å; W209-V441 HydrophobicContact CD2-CG2 4.16Å; W209-V441 HydrophobicContact CE3-CG2 4.28Å; W209-V441 HydrophobicContact CH2-CB 4.25Å; W209-V441 HydrophobicContact CH2-CG1 3.98Å; W209-V441 HydrophobicContact CH2-CG2 3.85Å; W209-V441 HydrophobicContact CZ2-CG1 4.44Å; W209-V441 HydrophobicContact CZ2-CG2 3.68Å; W209-V441 HydrophobicContact CZ3-CB 4.37Å; W209-V441 HydrophobicContact CZ3-CG1 4.43Å; W209-V441 HydrophobicContact CZ3-CG2 4.14Å; W209-I445 HydrophobicContact CH2-CD1 4.08Å; W209-I445 HydrophobicContact CZ2-CD1 3.79Å
210	Q	98	Very high	97.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.143	C	C	.	.			trans	-78	56.3	172.6	-164.8	67	41	0	0	111.5	P207 M373 P374 M375 W436	P207-Q210 HydrophobicContact CB-CB 3.96Å; P207-Q210 PolarHBondContact O-N 3.5Å; Q210-M373 HydrophobicContact CB-CG 4.46Å; Q210-M373 HydrophobicContact CB-SD 4.38Å; Q210-M373 HydrophobicContact CG-CB 3.95Å; Q210-M373 HydrophobicContact CG-CG 4.3Å; Q210-M373 HydrophobicContact CG-SD 4.35Å; Q210-M373 WeakPolarHBondContact O-CA 3.43Å; Q210-M373 WeakPolarHBondContact O-CB 3.4Å; Q210-M373 WeakPolarHBondContact O-CG 3.45Å; Q210-P374 PolarHBondContact NE2-O 2.92Å; Q210-M375 HydrophobicContact CG-CE 4.26Å; Q210-W436 HydrophobicContact CG-CZ3 4.23Å
211	F	97.4	Very high	97.8	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.022	15%	0.149	C	C	.	.	S	Bend	trans	-131.1	164.9	-179	-68.8	-81.2	0	0	0	109.7	M185 W189 W209 D213 M214 M371 V372 A411	M185-F211 HydrophobicContact CE-CE2 3.99Å; M185-F211 HydrophobicContact CE-CZ 3.81Å; W189-F211 HydrophobicContact CH2-CZ 4.25Å; W189-F211 HydrophobicContact CZ2-CE2 4.24Å; W189-F211 HydrophobicContact CZ2-CZ 4.33Å; W209-F211 PolarHBondContact O-N 2.83Å; F211-D213 PolarHBondContact O-N 2.82Å; F211-M214 HydrophobicContact CB-CE 3.83Å; F211-M214 HydrophobicContact CB-CG 4.39Å; F211-M214 HydrophobicContact CB-SD 4Å; F211-M214 WeakPolarHBondContact O-CB 3.22Å; F211-M214 PolarHBondContact O-N 3.42Å; F211-M371 HydrophobicContact CZ-SD 4.14Å; F211-V372 WeakPolarHBondContact CD1-O 3.46Å; F211-A411 HydrophobicContact CD1-CB 3.72Å; F211-A411 HydrophobicContact CE1-CB 3.28Å; F211-A411 HydrophobicContact CE2-CB 4.19Å; F211-A411 HydrophobicContact CG-CB 4.34Å; F211-A411 HydrophobicContact CZ-CB 3.55Å
212	P	94.6	Very high	97.7	Very high	40 Å²	40	29.3 Å²	29.3	26%	0.26	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	139.2	-179.8	-26.6	33.8	0	0	0	112.9	M214 V372 P374 A408	P212-M214 PolarHBondContact O-N 3.08Å; P212-V372 WeakPolarHBondContact CD-O 3.45Å; P212-P374 HydrophobicContact CB-CG 4.35Å; P212-P374 HydrophobicContact CG-CG 3.87Å; P212-A408 HydrophobicContact CG-CB 4.02Å
213	D	92.4	Very high	97.7	Very high	176 Å²	176	30.5 Å²	30.5	94%	0.941	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	11.2	178.3	-52.6	-42.5	0	0	0	116	F211	F211-D213 PolarHBondContact O-N 2.82Å
214	M	96.4	Very high	97.7	Very high	32 Å²	32	30.5 Å²	30.5	16%	0.158	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-40.7	177.8	-62.6	-164.8	-159.2	0	0	112.6	W209 F211 P212 K418	W209-M214 HydrophobicContact CB-CB 4.2Å; W209-M214 HydrophobicContact CB-SD 4.34Å; W209-M214 WeakPolarHBondContact O-CB 3.02Å; F211-M214 HydrophobicContact CB-CE 3.83Å; F211-M214 HydrophobicContact CB-CG 4.39Å; F211-M214 HydrophobicContact CB-SD 4Å; F211-M214 WeakPolarHBondContact O-CB 3.22Å; F211-M214 PolarHBondContact O-N 3.42Å; P212-M214 PolarHBondContact O-N 3.08Å; M214-K418 WeakPolarHBondContact O-CE 3.41Å; M214-K418 PolarHBondContact O-NZ 2.04Å
215	V	96.9	Very high	97.7	Very high	26 Å²	26	30.9 Å²	30.9	16%	0.158	17%	0.172	C	C	.	.	S	Bend	trans	-140.7	152.6	176.9	-61.1	0	0	0	0	110.5	W209 A438	W209-V215 HydrophobicContact CB-CG1 4.24Å; W209-V215 WeakPolarHBondContact O-CG2 3.2Å; V215-A438 WeakPolarHBondContact CG1-O 3.46Å
216	P	97.4	Very high	97.7	Very high	82 Å²	82	34.4 Å²	34.4	53%	0.532	19%	0.189	S	C	.	.			trans	-57.3	136	171.6	-22.5	32.4	0	0	0	112.2	G218 D219	P216-G218 PolarHBondContact O-N 3.1Å; P216-G218 VanDerWaalsContact O-N 3.16Å; P216-D219 VanDerWaalsContact CD-OD2 3.29Å; P216-D219 WeakPolarHBondContact CD-OD2 3.47Å; P216-D219 WeakPolarHBondContact CG-OD2 3.45Å; P216-D219 PolarHBondContact O-N 3.42Å
217	C	97.1	Very high	97.7	Very high	38 Å²	38	34.4 Å²	34.4	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.2	-178.4	60	0	0	0	0	113.9	P374 M375 C376	C217-P374 HydrophobicContact CB-CB 4.21Å; C217-M375 WeakPolarHBondContact O-CA 3.46Å; C217-C376 HydrophobicContact CB-CB 3.85Å; C217-C376 WeakPolarHBondContact CB-SG 3.05Å; C217-C376 PolarHBondContact O-N 3.12Å; C217-C376 WeakPolarHBondContact SG-CB 3.44Å; C217-C376 CovalentContact SG-SG 2.04Å; C217-C376 PolarHBondContact SG-SG 3.46Å
218	G	97.9	Very high	97.7	Very high	21 Å²	21	34.2 Å²	34.2	22%	0.216	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.2	-177.9	0	0	0	0	0	115.2	P216 F220 Y221 K222 C376	P216-G218 PolarHBondContact O-N 3.1Å; P216-G218 VanDerWaalsContact O-N 3.16Å; G218-F220 VanDerWaalsContact C-N 3.27Å; G218-F220 PolarHBondContact O-N 3.01Å; G218-Y221 PolarHBondContact O-N 3.13Å; G218-K222 WeakPolarHBondContact O-CB 3.34Å; G218-K222 PolarHBondContact O-N 3.13Å; G218-C376 WeakPolarHBondContact CA-O 3.5Å; G218-C376 PolarHBondContact N-SG 3.17Å
219	D	98.4	Very high	97.7	Very high	52 Å²	52	36 Å²	36	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-64.3	-33	-171.9	-81.3	-5.9	0	0	0	112.3	P216 K222 I223 A438	P216-D219 VanDerWaalsContact CD-OD2 3.29Å; P216-D219 WeakPolarHBondContact CD-OD2 3.47Å; P216-D219 WeakPolarHBondContact CG-OD2 3.45Å; P216-D219 PolarHBondContact O-N 3.42Å; D219-K222 PolarHBondContact O-N 3.43Å; D219-I223 WeakPolarHBondContact O-CG1 3.3Å; D219-I223 PolarHBondContact O-N 2.96Å; D219-I223 VanDerWaalsContact O-N 3.13Å; D219-A438 HydrophobicContact CB-CB 3.74Å
220	F	98.6	Very high	97.7	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-57.4	174.8	-178.2	-89.9	0	0	0	111.6	G218 K222 I223 V224 V287 M375 P435 W436	G218-F220 VanDerWaalsContact C-N 3.27Å; G218-F220 PolarHBondContact O-N 3.01Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 2.97Å; F220-I223 PolarHBondContact O-N 3.47Å; F220-I223 VanDerWaalsContact O-N 3.15Å; F220-V224 HydrophobicContact CD1-CG2 4.3Å; F220-V224 HydrophobicContact CE1-CG2 4.03Å; F220-V224 PolarHBondContact O-N 3.47Å; F220-V224 VanDerWaalsContact O-N 3.14Å; F220-V287 HydrophobicContact CE1-CB 4.49Å; F220-V287 HydrophobicContact CE1-CG1 3.63Å; F220-V287 HydrophobicContact CE1-CG2 4.04Å; F220-V287 HydrophobicContact CZ-CG1 3.57Å; F220-M375 HydrophobicContact CB-CE 4.42Å; F220-M375 HydrophobicContact CD1-CE 4.39Å; F220-M375 HydrophobicContact CD1-SD 4.22Å; F220-M375 HydrophobicContact CD2-CE 3.8Å; F220-M375 HydrophobicContact CE2-CE 4.14Å; F220-M375 HydrophobicContact CG-CE 3.95Å; F220-M375 HydrophobicContact CG-SD 4.27Å; F220-P435 HydrophobicContact CD1-CB 4.33Å; F220-P435 HydrophobicContact CD2-CB 3.7Å; F220-P435 HydrophobicContact CD2-CG 4.33Å; F220-P435 WeakPolarHBondContact CD2-O 3Å; F220-P435 HydrophobicContact CE1-CB 4.19Å; F220-P435 HydrophobicContact CE1-CG 4.39Å; F220-P435 HydrophobicContact CE2-CB 3.52Å; F220-P435 HydrophobicContact CE2-CG 3.64Å; F220-P435 HydrophobicContact CG-CB 4.1Å; F220-P435 HydrophobicContact CZ-CB 3.79Å; F220-P435 HydrophobicContact CZ-CG 3.68Å; F220-W436 HydrophobicContact CD2-CD2 4.19Å; F220-W436 HydrophobicContact CD2-CE3 4.23Å; F220-W436 AromaticContact CE2-CD1 3.95Å; F220-W436 AromaticContact CE2-CD2 3.58Å; F220-W436 HydrophobicContact CE2-CD2 3.58Å; F220-W436 AromaticContact CE2-CE2 3.55Å; F220-W436 HydrophobicContact CE2-CE3 4.03Å; F220-W436 AromaticContact CE2-CG 3.88Å; F220-W436 HydrophobicContact CE2-CG 3.88Å; F220-W436 HydrophobicContact CE2-CH2 4.48Å; F220-W436 HydrophobicContact CE2-CZ2 4.02Å; F220-W436 HydrophobicContact CE2-CZ3 4.48Å; F220-W436 AromaticContact CE2-NE1 3.75Å; F220-W436 HydrophobicContact CZ-CZ2 4.37Å
221	Y	98.7	Very high	97.6	Very high	33 Å²	33	42.5 Å²	42.5	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-25.5	-177.5	-74.6	-73.8	0	0	0	113.5	G218 V224 T225 Q283 V287 M375 C376 T377 F384	G218-Y221 PolarHBondContact O-N 3.13Å; Y221-V224 PolarHBondContact O-N 2.88Å; Y221-T225 WeakPolarHBondContact O-CB 3.49Å; Y221-T225 PolarHBondContact O-N 3.35Å; Y221-T225 PolarHBondContact O-OG1 3.49Å; Y221-Q283 HydrophobicContact CE1-CG 4.16Å; Y221-Q283 PolarHBondContact OH-NE2 2.94Å; Y221-V287 HydrophobicContact CD1-CG2 4.22Å; Y221-V287 HydrophobicContact CE1-CG2 3.61Å; Y221-M375 HydrophobicContact CE2-CB 4.15Å; Y221-C376 WeakPolarHBondContact CD2-O 3.45Å; Y221-T377 HydrophobicContact CD1-CG2 3.89Å; Y221-T377 HydrophobicContact CD2-CG2 3.47Å; Y221-T377 VanDerWaalsContact CD2-CG2 3.47Å; Y221-T377 HydrophobicContact CE1-CG2 4.24Å; Y221-T377 HydrophobicContact CE2-CG2 3.87Å; Y221-T377 HydrophobicContact CG-CG2 3.46Å; Y221-T377 VanDerWaalsContact CG-CG2 3.46Å; Y221-F384 AromaticContact CD1-CD2 3.65Å; Y221-F384 HydrophobicContact CD1-CD2 3.65Å; Y221-F384 AromaticContact CD1-CE2 3.45Å; Y221-F384 HydrophobicContact CD1-CE2 3.45Å; Y221-F384 VanDerWaalsContact CD1-CE2 3.45Å; Y221-F384 HydrophobicContact CD1-CG 4.33Å; Y221-F384 AromaticContact CD1-CZ 3.95Å; Y221-F384 HydrophobicContact CD1-CZ 3.95Å; Y221-F384 HydrophobicContact CE1-CD2 4.4Å; Y221-F384 HydrophobicContact CE1-CE2 4.25Å; Y221-F384 HydrophobicContact CE1-CZ 4.37Å; Y221-F384 HydrophobicContact CG-CD2 4.23Å; Y221-F384 HydrophobicContact CG-CE2 4.29Å
222	K	98.6	Very high	97.6	Very high	67 Å²	67	43.3 Å²	43.3	29%	0.291	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-42.1	169.8	179.8	175.8	-178.1	168.4	0	111.8	G218 D219 F220 T225 Q226 Q381	G218-K222 WeakPolarHBondContact O-CB 3.34Å; G218-K222 PolarHBondContact O-N 3.13Å; D219-K222 PolarHBondContact O-N 3.43Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 2.97Å; K222-T225 PolarHBondContact O-N 3.43Å; K222-Q226 VanDerWaalsContact O-CG 3.28Å; K222-Q226 WeakPolarHBondContact O-CG 3.47Å; K222-Q226 PolarHBondContact O-N 3.01Å; K222-Q381 VanDerWaalsContact NZ-OE1 3.15Å
223	I	98.7	Very high	97.6	Very high	26 Å²	26	47.6 Å²	47.6	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-66.6	-47.9	175.8	-65.2	172	0	0	0	110.1	D219 F220 T225 Q226 D227 P435 A438	D219-I223 WeakPolarHBondContact O-CG1 3.3Å; D219-I223 PolarHBondContact O-N 2.96Å; D219-I223 VanDerWaalsContact O-N 3.13Å; F220-I223 PolarHBondContact O-N 3.47Å; F220-I223 VanDerWaalsContact O-N 3.15Å; I223-T225 PolarHBondContact O-N 2.88Å; I223-Q226 WeakPolarHBondContact O-CA 3.35Å; I223-Q226 WeakPolarHBondContact O-CB 3.31Å; I223-Q226 PolarHBondContact O-N 2.78Å; I223-D227 PolarHBondContact O-N 3.01Å; I223-P435 HydrophobicContact CB-CB 4.27Å; I223-P435 HydrophobicContact CG2-CB 4.24Å; I223-A438 HydrophobicContact CD1-CB 3.82Å
224	V	98.8	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-50.2	-48.3	174.7	-179.8	0	0	0	0	110.5	F220 Y221 Q226 D227 F228 V287 A290 M383 F384 P435	F220-V224 HydrophobicContact CD1-CG2 4.3Å; F220-V224 HydrophobicContact CE1-CG2 4.03Å; F220-V224 PolarHBondContact O-N 3.47Å; F220-V224 VanDerWaalsContact O-N 3.14Å; Y221-V224 PolarHBondContact O-N 2.88Å; V224-Q226 VanDerWaalsContact C-N 3.35Å; V224-Q226 PolarHBondContact O-N 3.33Å; V224-D227 PolarHBondContact O-N 3.14Å; V224-F228 HydrophobicContact CG1-CD2 4.34Å; V224-F228 HydrophobicContact CG1-CE2 4.2Å; V224-F228 VanDerWaalsContact O-CD2 3.32Å; V224-F228 WeakPolarHBondContact O-CD2 3.45Å; V224-F228 PolarHBondContact O-N 3.28Å; V224-V287 HydrophobicContact CG2-CG2 4.33Å; V224-A290 HydrophobicContact CB-CB 4.45Å; V224-A290 HydrophobicContact CG1-CB 4.1Å; V224-A290 HydrophobicContact CG2-CB 4.25Å; V224-M383 HydrophobicContact CG1-CE 4.15Å; V224-F384 HydrophobicContact CB-CE2 4.41Å; V224-F384 HydrophobicContact CG1-CE2 4.18Å; V224-F384 HydrophobicContact CG1-CZ 3.88Å; V224-P435 HydrophobicContact CG2-CB 3.5Å; V224-P435 VanDerWaalsContact CG2-CB 3.5Å; V224-P435 HydrophobicContact CG2-CG 3.86Å
225	T	98.8	Very high	97.9	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-41.5	179.1	-59	0	0	0	0	112.7	Y221 K222 I223 D227 F228 A229 D236 D382 M383	Y221-T225 WeakPolarHBondContact O-CB 3.49Å; Y221-T225 PolarHBondContact O-N 3.35Å; Y221-T225 PolarHBondContact O-OG1 3.49Å; K222-T225 PolarHBondContact O-N 3.43Å; I223-T225 PolarHBondContact O-N 2.88Å; T225-D227 VanDerWaalsContact C-N 3.31Å; T225-D227 PolarHBondContact O-N 3.18Å; T225-F228 PolarHBondContact O-N 3.16Å; T225-A229 WeakPolarHBondContact O-CB 3.38Å; T225-A229 PolarHBondContact O-N 2.83Å; T225-D236 HydrophobicContact CG2-CB 4.24Å; T225-D382 WeakPolarHBondContact OG1-CA 3.4Å; T225-D382 WeakPolarHBondContact OG1-CB 3.4Å; T225-M383 HydrophobicContact CG2-CB 3.86Å; T225-M383 HydrophobicContact CG2-CG 4.18Å; T225-M383 PolarHBondContact OG1-N 2.79Å
226	Q	98.6	Very high	97.9	Very high	74 Å²	74	41.1 Å²	41.1	35%	0.346	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-35.2	178	-73.7	173	25.4	0	0	112.6	K222 I223 V224 A229 K230	K222-Q226 VanDerWaalsContact O-CG 3.28Å; K222-Q226 WeakPolarHBondContact O-CG 3.47Å; K222-Q226 PolarHBondContact O-N 3.01Å; I223-Q226 WeakPolarHBondContact O-CA 3.35Å; I223-Q226 WeakPolarHBondContact O-CB 3.31Å; I223-Q226 PolarHBondContact O-N 2.78Å; V224-Q226 VanDerWaalsContact C-N 3.35Å; V224-Q226 PolarHBondContact O-N 3.33Å; Q226-A229 PolarHBondContact O-N 3.35Å; Q226-K230 WeakPolarHBondContact O-CB 3.46Å; Q226-K230 WeakPolarHBondContact O-CD 3.44Å; Q226-K230 WeakPolarHBondContact O-CG 3.22Å; Q226-K230 PolarHBondContact O-N 2.7Å
227	D	98.7	Very high	97.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-41.7	179.9	-61.1	-28.8	0	0	0	110.9	I223 V224 T225 S231 I309	I223-D227 PolarHBondContact O-N 3.01Å; V224-D227 PolarHBondContact O-N 3.14Å; T225-D227 VanDerWaalsContact C-N 3.31Å; T225-D227 PolarHBondContact O-N 3.18Å; D227-S231 WeakPolarHBondContact O-CB 3.5Å; D227-S231 PolarHBondContact O-N 2.84Å; D227-S231 VanDerWaalsContact O-N 3.17Å; D227-S231 PolarHBondContact O-OG 2.89Å; D227-I309 HydrophobicContact CB-CD1 3.75Å
228	F	98.8	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-42.6	172.8	-77.9	-101.1	0	0	0	112.2	V224 T225 K230 S231 G232 D236 I239 W286 L289 I309 V312 M383	V224-F228 HydrophobicContact CG1-CD2 4.34Å; V224-F228 HydrophobicContact CG1-CE2 4.2Å; V224-F228 VanDerWaalsContact O-CD2 3.32Å; V224-F228 WeakPolarHBondContact O-CD2 3.45Å; V224-F228 PolarHBondContact O-N 3.28Å; T225-F228 PolarHBondContact O-N 3.16Å; F228-K230 VanDerWaalsContact C-N 3.31Å; F228-K230 PolarHBondContact O-N 3.11Å; F228-S231 PolarHBondContact O-N 2.95Å; F228-G232 PolarHBondContact O-N 3.36Å; F228-D236 HydrophobicContact CB-CB 4.3Å; F228-I239 HydrophobicContact CB-CD1 4.46Å; F228-I239 HydrophobicContact CD1-CD1 3.28Å; F228-I239 HydrophobicContact CE1-CD1 3.63Å; F228-I239 HydrophobicContact CG-CD1 3.99Å; F228-W286 HydrophobicContact CE1-CD2 4.46Å; F228-W286 AromaticContact CE1-CE3 3.84Å; F228-W286 HydrophobicContact CE1-CE3 3.84Å; F228-W286 HydrophobicContact CE2-CB 4.09Å; F228-W286 WeakPolarHBondContact CE2-O 3.19Å; F228-W286 HydrophobicContact CZ-CB 3.89Å; F228-W286 HydrophobicContact CZ-CD2 4.39Å; F228-W286 AromaticContact CZ-CE3 3.86Å; F228-W286 HydrophobicContact CZ-CE3 3.86Å; F228-W286 HydrophobicContact CZ-CG 4.43Å; F228-L289 HydrophobicContact CZ-CB 4.03Å; F228-L289 HydrophobicContact CZ-CD1 4.22Å; F228-I309 HydrophobicContact CB-CG2 4.38Å; F228-I309 HydrophobicContact CD1-CG2 3.74Å; F228-I309 HydrophobicContact CD2-CD1 4.18Å; F228-I309 HydrophobicContact CD2-CG2 4.08Å; F228-I309 HydrophobicContact CE1-CG2 3.97Å; F228-I309 HydrophobicContact CE2-CD1 3.98Å; F228-I309 HydrophobicContact CE2-CG1 4.26Å; F228-I309 HydrophobicContact CE2-CG2 4.3Å; F228-I309 HydrophobicContact CG-CG2 3.82Å; F228-I309 HydrophobicContact CZ-CG1 4.29Å; F228-I309 HydrophobicContact CZ-CG2 4.24Å; F228-V312 HydrophobicContact CE1-CG2 3.83Å; F228-M383 HydrophobicContact CB-CE 4.29Å; F228-M383 HydrophobicContact CB-SD 4.08Å; F228-M383 HydrophobicContact CD1-CE 4.32Å; F228-M383 HydrophobicContact CD2-CE 3.67Å; F228-M383 HydrophobicContact CE2-CE 4.02Å; F228-M383 HydrophobicContact CG-CE 3.83Å; F228-M383 HydrophobicContact CG-SD 4.23Å; F228-M383 HydrophobicContact CZ-CE 4.49Å
229	A	98.3	Very high	98	Very high	44 Å²	44	36.4 Å²	36.4	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-61.7	-36.9	178.6	0	0	0	0	0	112.7	T225 Q226 D236	T225-A229 WeakPolarHBondContact O-CB 3.38Å; T225-A229 PolarHBondContact O-N 2.83Å; Q226-A229 PolarHBondContact O-N 3.35Å; A229-D236 HydrophobicContact CB-CB 4.02Å
230	K	97.8	Very high	98	Very high	141 Å²	141	38.6 Å²	38.6	61%	0.613	20%	0.197	S	C	*	.	H	α-helix	trans	-78.2	-22	177.7	-69.4	167.2	-168.1	160.7	0	113.1	Q226 F228	Q226-K230 WeakPolarHBondContact O-CB 3.46Å; Q226-K230 WeakPolarHBondContact O-CD 3.44Å; Q226-K230 WeakPolarHBondContact O-CG 3.22Å; Q226-K230 PolarHBondContact O-N 2.7Å; F228-K230 VanDerWaalsContact C-N 3.31Å; F228-K230 PolarHBondContact O-N 3.11Å
231	S	97.7	Very high	97.9	Very high	23 Å²	23	42.2 Å²	42.2	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-93.2	-10.4	-170.5	-68	0	0	0	0	114.7	D227 F228 I309	D227-S231 WeakPolarHBondContact O-CB 3.5Å; D227-S231 PolarHBondContact O-N 2.84Å; D227-S231 VanDerWaalsContact O-N 3.17Å; D227-S231 PolarHBondContact O-OG 2.89Å; F228-S231 PolarHBondContact O-N 2.95Å; S231-I309 VanDerWaalsContact CB-CG2 3.4Å
232	G	96.3	Very high	97.9	Very high	22 Å²	22	40.7 Å²	40.7	23%	0.227	20%	0.204	C	C	.	.	S	Bend	trans	-173.4	155.1	172.4	0	0	0	0	0	114	F228 N234 C235	F228-G232 PolarHBondContact O-N 3.36Å; G232-N234 PolarHBondContact O-N 3.48Å; G232-C235 PolarHBondContact O-N 3.35Å
233	K	95.3	Very high	97.8	Very high	131 Å²	131	37.8 Å²	37.8	57%	0.57	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	125.6	179.5	-171	-173.7	-172.5	-168.3	0	110.4	C235 G317 D319	K233-C235 PolarHBondContact O-N 3.28Å; K233-G317 WeakPolarHBondContact O-CA 3.44Å; K233-D319 WeakPolarHBondContact CD-OD1 3.39Å; K233-D319 WeakPolarHBondContact CE-OD1 3.37Å; K233-D319 IonicContact NZ-OD1 3.6Å; K233-D319 PolarHBondContact NZ-OD1 3.15Å; K233-D319 IonicContact NZ-OD2 3.7Å; K233-D319 PolarHBondContact NZ-OD2 3.11Å
234	N	96.1	Very high	97.8	Very high	60 Å²	60	43.4 Å²	43.4	32%	0.321	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	18.7	177.5	-58.4	-22.7	0	0	0	115.4	G232 A237 N238 F318 D319	G232-N234 PolarHBondContact O-N 3.48Å; N234-A237 HydrophobicContact CB-CB 4.5Å; N234-A237 PolarHBondContact O-N 2.81Å; N234-N238 VanDerWaalsContact O-CB 3.31Å; N234-N238 WeakPolarHBondContact O-CB 3.5Å; N234-N238 PolarHBondContact O-N 3.29Å; N234-N238 PolarHBondContact O-ND2 3.04Å; N234-F318 WeakPolarHBondContact CB-O 3.29Å; N234-F318 PolarHBondContact ND2-O 3.12Å; N234-D319 PolarHBondContact ND2-OD1 3.45Å
235	C	97.8	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-53.1	-173.4	-172.9	0	0	0	0	112	G232 K233 A237 N238 I239 C313	G232-C235 PolarHBondContact O-N 3.35Å; K233-C235 PolarHBondContact O-N 3.28Å; C235-A237 VanDerWaalsContact C-N 3.34Å; C235-A237 PolarHBondContact O-N 2.91Å; C235-N238 PolarHBondContact O-N 3.18Å; C235-I239 WeakPolarHBondContact O-CG1 3.44Å; C235-I239 PolarHBondContact O-N 3.49Å; C235-C313 HydrophobicContact CB-CB 3.63Å; C235-C313 WeakPolarHBondContact CB-SG 3.46Å; C235-C313 WeakPolarHBondContact SG-CA 3.37Å; C235-C313 WeakPolarHBondContact SG-CB 3.12Å; C235-C313 CovalentContact SG-SG 2.04Å; C235-C313 PolarHBondContact SG-SG 3.42Å
236	D	97.9	Very high	97.7	Very high	38 Å²	38	43 Å²	43	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-43.2	174	65.4	-50.3	0	0	0	112	T225 F228 A229 N238 I239 R240 M383	T225-D236 HydrophobicContact CG2-CB 4.24Å; F228-D236 HydrophobicContact CB-CB 4.3Å; A229-D236 HydrophobicContact CB-CB 4.02Å; D236-N238 VanDerWaalsContact C-N 3.32Å; D236-N238 PolarHBondContact O-N 3.01Å; D236-I239 PolarHBondContact O-N 3.46Å; D236-R240 PolarHBondContact O-N 2.93Å; D236-M383 HydrophobicContact CB-CB 4.45Å; D236-M383 HydrophobicContact CB-SD 4.08Å
237	A	97.2	Very high	97.7	Very high	39 Å²	39	42.5 Å²	42.5	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-39	178.9	0	0	0	0	0	112.1	N234 C235 R241	N234-A237 HydrophobicContact CB-CB 4.5Å; N234-A237 PolarHBondContact O-N 2.81Å; C235-A237 VanDerWaalsContact C-N 3.34Å; C235-A237 PolarHBondContact O-N 2.91Å; A237-R241 VanDerWaalsContact O-CG 3.31Å; A237-R241 WeakPolarHBondContact O-CG 3.09Å; A237-R241 PolarHBondContact O-N 3.16Å
238	N	97.9	Very high	97.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-76.1	-32.9	177.5	-75.8	-39.8	0	0	0	112.3	N234 C235 D236 R241 S242 L316 F318 L327	N234-N238 VanDerWaalsContact O-CB 3.31Å; N234-N238 WeakPolarHBondContact O-CB 3.5Å; N234-N238 PolarHBondContact O-N 3.29Å; N234-N238 PolarHBondContact O-ND2 3.04Å; C235-N238 PolarHBondContact O-N 3.18Å; D236-N238 VanDerWaalsContact C-N 3.32Å; D236-N238 PolarHBondContact O-N 3.01Å; N238-R241 PolarHBondContact O-N 3.01Å; N238-R241 PolarHBondContact OD1-NH1 3.05Å; N238-S242 WeakPolarHBondContact O-CB 3.4Å; N238-S242 PolarHBondContact O-N 3.13Å; N238-L316 HydrophobicContact CB-CB 4.5Å; N238-L316 PolarHBondContact ND2-O 3.44Å; N238-F318 PolarHBondContact ND2-N 2.92Å; N238-F318 PolarHBondContact ND2-O 3.43Å; N238-L327 HydrophobicContact CB-CD1 3.83Å
239	I	98.4	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-48.9	168	-68.1	168.5	0	0	0	110	F228 C235 D236 R241 S242 W243 W286 L316 M383	F228-I239 HydrophobicContact CB-CD1 4.46Å; F228-I239 HydrophobicContact CD1-CD1 3.28Å; F228-I239 HydrophobicContact CE1-CD1 3.63Å; F228-I239 HydrophobicContact CG-CD1 3.99Å; C235-I239 WeakPolarHBondContact O-CG1 3.44Å; C235-I239 PolarHBondContact O-N 3.49Å; D236-I239 PolarHBondContact O-N 3.46Å; I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.38Å; I239-S242 VanDerWaalsContact O-CB 3.31Å; I239-S242 WeakPolarHBondContact O-CB 3.41Å; I239-S242 PolarHBondContact O-N 3.39Å; I239-S242 PolarHBondContact O-OG 2.9Å; I239-W243 HydrophobicContact CG2-CZ2 3.85Å; I239-W243 PolarHBondContact O-NE1 3.41Å; I239-W286 HydrophobicContact CD1-CD2 4.35Å; I239-L316 HydrophobicContact CD1-CD1 4.03Å; I239-L316 HydrophobicContact CG1-CD1 3.78Å; I239-M383 HydrophobicContact CB-CG 4.47Å; I239-M383 HydrophobicContact CB-SD 3.76Å; I239-M383 HydrophobicContact CD1-CE 3.8Å; I239-M383 HydrophobicContact CD1-SD 3.66Å; I239-M383 HydrophobicContact CG1-SD 4.3Å; I239-M383 HydrophobicContact CG2-CB 4.49Å; I239-M383 HydrophobicContact CG2-CE 3.99Å; I239-M383 HydrophobicContact CG2-CG 3.97Å; I239-M383 HydrophobicContact CG2-SD 3.64Å
240	R	98.3	Very high	97.5	Very high	97 Å²	97	45.4 Å²	45.4	37%	0.366	22%	0.223	S	C	.	.	H	α-helix	trans	-56.8	-43.7	176.8	-172.7	-176.5	-71.7	-174.2	1.8	112.6	D236 S242 W243 G379 V380 D382 M383	D236-R240 PolarHBondContact O-N 2.93Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.32Å; R240-W243 VanDerWaalsContact O-CD1 3.26Å; R240-G379 PolarHBondContact NH1-O 3.32Å; R240-V380 PolarHBondContact NH1-O 2.83Å; R240-V380 PolarHBondContact NH2-O 2.91Å; R240-D382 VanDerWaalsContact CZ-O 3.26Å; R240-D382 PolarHBondContact NE-O 3.26Å; R240-D382 PolarHBondContact NH2-O 2.99Å; R240-M383 VanDerWaalsContact CA-O 3.26Å; R240-M383 WeakPolarHBondContact CA-O 3.48Å; R240-M383 HydrophobicContact CB-CB 4.18Å
241	R	97.1	Very high	97.5	Very high	81 Å²	81	43 Å²	43	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-31	176.2	-74.6	173.1	60.9	-151.8	-4.3	112.5	A237 N238 I239 W243 K244 A245 A320 L327	A237-R241 VanDerWaalsContact O-CG 3.31Å; A237-R241 WeakPolarHBondContact O-CG 3.09Å; A237-R241 PolarHBondContact O-N 3.16Å; N238-R241 PolarHBondContact O-N 3.01Å; N238-R241 PolarHBondContact OD1-NH1 3.05Å; I239-R241 VanDerWaalsContact C-N 3.32Å; I239-R241 PolarHBondContact O-N 3.38Å; R241-W243 VanDerWaalsContact C-N 3.28Å; R241-W243 PolarHBondContact O-N 3.47Å; R241-K244 PolarHBondContact O-N 3.44Å; R241-A245 PolarHBondContact O-N 3.27Å; R241-A320 PolarHBondContact NH1-O 3.46Å; R241-L327 HydrophobicContact CB-CD2 3.8Å
242	S	98.1	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-31.1	-174.3	79.2	0	0	0	0	113.1	N238 I239 R240 K244 A245 I246	N238-S242 WeakPolarHBondContact O-CB 3.4Å; N238-S242 PolarHBondContact O-N 3.13Å; I239-S242 VanDerWaalsContact O-CB 3.31Å; I239-S242 WeakPolarHBondContact O-CB 3.41Å; I239-S242 PolarHBondContact O-N 3.39Å; I239-S242 PolarHBondContact O-OG 2.9Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.32Å; S242-K244 VanDerWaalsContact C-N 3.33Å; S242-K244 PolarHBondContact O-N 2.95Å; S242-A245 CarbonylContact O-C 3.6Å; S242-A245 WeakPolarHBondContact O-CA 3.35Å; S242-A245 WeakPolarHBondContact O-CB 3.46Å; S242-A245 PolarHBondContact O-N 3.19Å; S242-A245 VanDerWaalsContact O-N 3.08Å; S242-I246 WeakPolarHBondContact O-CG1 3.41Å; S242-I246 PolarHBondContact O-N 3.09Å
243	W	98.3	Very high	97.5	Very high	6 Å²	6	48.9 Å²	48.9	2%	0.023	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-43	179.3	-50.1	122.9	0	0	0	112.4	I239 R240 R241 I246 N247 K279 L282 Q283 W286 M383 F384 E385	I239-W243 HydrophobicContact CG2-CZ2 3.85Å; I239-W243 PolarHBondContact O-NE1 3.41Å; R240-W243 VanDerWaalsContact O-CD1 3.26Å; R241-W243 VanDerWaalsContact C-N 3.28Å; R241-W243 PolarHBondContact O-N 3.47Å; W243-I246 HydrophobicContact CE3-CD1 4Å; W243-I246 HydrophobicContact CZ3-CD1 4.28Å; W243-I246 PolarHBondContact O-N 2.99Å; W243-N247 VanDerWaalsContact O-CG 3.3Å; W243-N247 PolarHBondContact O-N 2.89Å; W243-N247 PolarHBondContact O-ND2 2.95Å; W243-K279 HydrophobicContact CE3-CB 4.33Å; W243-K279 HydrophobicContact CE3-CD 4.29Å; W243-K279 HydrophobicContact CE3-CG 4.15Å; W243-K279 HydrophobicContact CZ3-CB 4.23Å; W243-K279 HydrophobicContact CZ3-CG 4.4Å; W243-L282 HydrophobicContact CH2-CB 3.95Å; W243-L282 HydrophobicContact CZ3-CB 3.89Å; W243-L282 HydrophobicContact CZ3-CD1 4.4Å; W243-Q283 HydrophobicContact CH2-CB 4.27Å; W243-W286 AromaticContact CH2-CD1 3.81Å; W243-W286 AromaticContact CH2-NE1 3.5Å; W243-W286 AromaticContact CZ2-CD1 3.82Å; W243-W286 AromaticContact CZ2-NE1 3.75Å; W243-M383 PolarHBondContact NE1-O 3.1Å; W243-F384 AromaticContact CZ2-CD1 3.76Å; W243-F384 HydrophobicContact CZ2-CD1 3.76Å; W243-F384 HydrophobicContact CZ2-CE1 4.19Å; W243-E385 HydrophobicContact CB-CG 3.64Å; W243-E385 HydrophobicContact CG-CG 3.96Å
244	K	97.4	Very high	97.6	Very high	145 Å²	145	46.8 Å²	46.8	63%	0.63	26%	0.258	S	S	*	.	H	α-helix	trans	-66.9	-39.8	173.9	-173.2	176.6	179.7	-179.9	0	111.6	R241 S242 I246 N247 N248	R241-K244 PolarHBondContact O-N 3.44Å; S242-K244 VanDerWaalsContact C-N 3.33Å; S242-K244 PolarHBondContact O-N 2.95Å; K244-I246 VanDerWaalsContact C-N 3.34Å; K244-N247 PolarHBondContact O-N 3.03Å; K244-N248 VanDerWaalsContact O-CG 3.24Å; K244-N248 PolarHBondContact O-N 3.4Å; K244-N248 PolarHBondContact O-OD1 3.02Å
245	A	97.9	Very high	97.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-41.6	176	0	0	0	0	0	111.7	R241 S242 N248 V249 D324 L327 L328	R241-A245 PolarHBondContact O-N 3.27Å; S242-A245 CarbonylContact O-C 3.6Å; S242-A245 WeakPolarHBondContact O-CA 3.35Å; S242-A245 WeakPolarHBondContact O-CB 3.46Å; S242-A245 PolarHBondContact O-N 3.19Å; S242-A245 VanDerWaalsContact O-N 3.08Å; A245-N248 PolarHBondContact O-N 3.14Å; A245-V249 WeakPolarHBondContact O-CG2 3.27Å; A245-V249 PolarHBondContact O-N 2.85Å; A245-D324 HydrophobicContact CB-CB 3.74Å; A245-L327 HydrophobicContact CB-CD2 4.24Å; A245-L328 HydrophobicContact CB-CD1 4.06Å; A245-L328 HydrophobicContact CB-CD2 4.09Å; A245-L328 HydrophobicContact CB-CG 4.01Å
246	I	98.5	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-51.6	173.2	-67	167.7	0	0	0	109.4	S242 W243 K244 N248 V249 S250 L259 F278 K279 L282 L328	S242-I246 WeakPolarHBondContact O-CG1 3.41Å; S242-I246 PolarHBondContact O-N 3.09Å; W243-I246 HydrophobicContact CE3-CD1 4Å; W243-I246 HydrophobicContact CZ3-CD1 4.28Å; W243-I246 PolarHBondContact O-N 2.99Å; K244-I246 VanDerWaalsContact C-N 3.34Å; I246-N248 VanDerWaalsContact C-N 3.28Å; I246-N248 PolarHBondContact O-N 3Å; I246-V249 PolarHBondContact O-N 2.77Å; I246-S250 VanDerWaalsContact O-CB 3.22Å; I246-S250 WeakPolarHBondContact O-CB 3.37Å; I246-S250 PolarHBondContact O-N 3.45Å; I246-S250 PolarHBondContact O-OG 2.94Å; I246-L259 HydrophobicContact CG2-CD1 4.5Å; I246-F278 HydrophobicContact CD1-CD1 4.42Å; I246-F278 HydrophobicContact CD1-CE1 3.99Å; I246-F278 HydrophobicContact CG1-CE1 4.33Å; I246-F278 HydrophobicContact CG2-CD1 4.26Å; I246-F278 HydrophobicContact CG2-CE1 4.45Å; I246-K279 HydrophobicContact CB-CD 4.47Å; I246-K279 HydrophobicContact CB-CG 4.47Å; I246-K279 HydrophobicContact CD1-CG 4.04Å; I246-K279 HydrophobicContact CG2-CD 4.1Å; I246-K279 HydrophobicContact CG2-CG 3.87Å; I246-L282 HydrophobicContact CD1-CD1 3.69Å; I246-L328 HydrophobicContact CD1-CD2 4.35Å; I246-L328 HydrophobicContact CG1-CD2 3.48Å; I246-L328 VanDerWaalsContact CG1-CD2 3.48Å
247	N	97.7	Very high	97.7	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-57.6	-40.6	180	-67.1	-30.4	0	0	0	112.3	W243 K244 S250 S251 K279 E385	W243-N247 VanDerWaalsContact O-CG 3.3Å; W243-N247 PolarHBondContact O-N 2.89Å; W243-N247 PolarHBondContact O-ND2 2.95Å; K244-N247 PolarHBondContact O-N 3.03Å; N247-S250 PolarHBondContact O-OG 3.5Å; N247-S251 PolarHBondContact O-N 3.33Å; N247-K279 PolarHBondContact OD1-NZ 3.36Å; N247-E385 PolarHBondContact ND2-OE1 3.14Å
248	N	97.8	Very high	97.8	Very high	79 Å²	79	49.3 Å²	49.3	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-66.5	-50.2	178.1	-70.5	-13.1	0	0	0	111.8	K244 A245 I246 S251 D324	K244-N248 VanDerWaalsContact O-CG 3.24Å; K244-N248 PolarHBondContact O-N 3.4Å; K244-N248 PolarHBondContact O-OD1 3.02Å; A245-N248 PolarHBondContact O-N 3.14Å; I246-N248 VanDerWaalsContact C-N 3.28Å; I246-N248 PolarHBondContact O-N 3Å; N248-S251 WeakPolarHBondContact O-CB 3.4Å; N248-S251 PolarHBondContact O-N 2.9Å; N248-S251 PolarHBondContact O-OG 3.05Å; N248-D324 VanDerWaalsContact CB-OD2 3.3Å; N248-D324 WeakPolarHBondContact CB-OD2 3.36Å; N248-D324 PolarHBondContact ND2-OD2 3.15Å
249	V	97.8	Very high	97.8	Very high	17 Å²	17	49.1 Å²	49.1	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-68.5	-41.7	-178.3	173.8	0	0	0	0	110.7	A245 I246 S251 G255 W258 L259 D324 L328	A245-V249 WeakPolarHBondContact O-CG2 3.27Å; A245-V249 PolarHBondContact O-N 2.85Å; I246-V249 PolarHBondContact O-N 2.77Å; V249-S251 PolarHBondContact O-N 3.3Å; V249-G255 VanDerWaalsContact O-CA 3.26Å; V249-G255 WeakPolarHBondContact O-CA 3.38Å; V249-W258 HydrophobicContact CG1-CE3 3.75Å; V249-W258 HydrophobicContact CG1-CZ3 4.2Å; V249-L259 HydrophobicContact CB-CD1 4.39Å; V249-L259 HydrophobicContact CG1-CD1 4.03Å; V249-L259 HydrophobicContact CG1-CG 3.85Å; V249-D324 HydrophobicContact CG2-CB 4.04Å; V249-L328 HydrophobicContact CB-CD1 4.09Å; V249-L328 HydrophobicContact CG2-CD1 3.69Å
250	S	97.4	Very high	97.8	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.07	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	0.6	179.3	74	0	0	0	0	114.3	I246 N247 S252	I246-S250 VanDerWaalsContact O-CB 3.22Å; I246-S250 WeakPolarHBondContact O-CB 3.37Å; I246-S250 PolarHBondContact O-N 3.45Å; I246-S250 PolarHBondContact O-OG 2.94Å; N247-S250 PolarHBondContact O-OG 3.5Å; S250-S252 PolarHBondContact O-N 2.69Å
251	S	96.8	Very high	97.8	Very high	91 Å²	91	50.7 Å²	50.7	64%	0.636	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-10	179.1	84.3	0	0	0	0	113.4	N247 N248 V249	N247-S251 PolarHBondContact O-N 3.33Å; N248-S251 WeakPolarHBondContact O-CB 3.4Å; N248-S251 PolarHBondContact O-N 2.9Å; N248-S251 PolarHBondContact O-OG 3.05Å; V249-S251 PolarHBondContact O-N 3.3Å
252	S	96.7	Very high	97.8	Very high	48 Å²	48	48.6 Å²	48.6	34%	0.336	27%	0.265	S	S	.	.	S	Bend	trans	-127.1	154.4	-179.8	69.7	0	0	0	0	111.4	S250 S254 G255 L256	S250-S252 PolarHBondContact O-N 2.69Å; S252-S254 VanDerWaalsContact C-N 3.31Å; S252-S254 PolarHBondContact O-N 3.44Å; S252-S254 PolarHBondContact OG-OG 3.24Å; S252-G255 PolarHBondContact O-N 3.46Å; S252-G255 PolarHBondContact OG-N 3.46Å; S252-L256 PolarHBondContact O-N 3.32Å
253	V	96.9	Very high	97.8	Very high	120 Å²	120	48.6 Å²	48.6	73%	0.727	27%	0.265	S	S	*	.	H	α-helix	trans	-61.6	-41.8	175.8	177.4	0	0	0	0	111	G255 L256 Q257	V253-G255 VanDerWaalsContact C-N 3.32Å; V253-G255 PolarHBondContact O-N 2.86Å; V253-L256 PolarHBondContact O-N 3.09Å; V253-Q257 PolarHBondContact O-N 3.36Å
254	S	97.3	Very high	97.8	Very high	86 Å²	86	50.8 Å²	50.8	60%	0.601	28%	0.281	S	S	*	.	H	α-helix	trans	-63.1	-36.8	176.6	48.1	0	0	0	0	112.5	S252 Q257 W258	S252-S254 VanDerWaalsContact C-N 3.31Å; S252-S254 PolarHBondContact O-N 3.44Å; S252-S254 PolarHBondContact OG-OG 3.24Å; S254-Q257 PolarHBondContact O-N 3.34Å; S254-W258 WeakPolarHBondContact O-CB 3.29Å; S254-W258 PolarHBondContact O-N 3.47Å
255	G	97.9	Very high	97.7	Very high	7 Å²	7	44.8 Å²	44.8	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-75.9	-34.2	178.2	0	0	0	0	0	113.6	V249 S252 V253 Q257 W258 L259	V249-G255 VanDerWaalsContact O-CA 3.26Å; V249-G255 WeakPolarHBondContact O-CA 3.38Å; S252-G255 PolarHBondContact O-N 3.46Å; S252-G255 PolarHBondContact OG-N 3.46Å; V253-G255 VanDerWaalsContact C-N 3.32Å; V253-G255 PolarHBondContact O-N 2.86Å; G255-Q257 VanDerWaalsContact C-N 3.32Å; G255-W258 PolarHBondContact O-N 3.45Å; G255-L259 WeakPolarHBondContact O-CB 3.36Å; G255-L259 PolarHBondContact O-N 2.95Å
256	L	98.1	Very high	97.7	Very high	11 Å²	11	47.3 Å²	47.3	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-42.2	168.7	-74.1	168	0	0	0	111.7	S252 V253 S260 L269 A275	S252-L256 PolarHBondContact O-N 3.32Å; V253-L256 PolarHBondContact O-N 3.09Å; L256-S260 PolarHBondContact O-N 3.21Å; L256-S260 VanDerWaalsContact O-N 3.09Å; L256-S260 PolarHBondContact O-OG 3.29Å; L256-L269 HydrophobicContact CB-CB 4.35Å; L256-L269 HydrophobicContact CD2-CB 3.82Å; L256-L269 HydrophobicContact CD2-CD1 4.36Å; L256-A275 HydrophobicContact CD2-CB 4.15Å
257	Q	98.1	Very high	97.6	Very high	110 Å²	110	50.9 Å²	50.9	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-48.3	174.4	-179.3	176.9	-8.1	0	0	111.3	V253 S254 G255 L259 S260 E261	V253-Q257 PolarHBondContact O-N 3.36Å; S254-Q257 PolarHBondContact O-N 3.34Å; G255-Q257 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.42Å; Q257-S260 WeakPolarHBondContact O-CB 3.48Å; Q257-S260 PolarHBondContact O-N 3.35Å; Q257-S260 VanDerWaalsContact O-N 3.09Å; Q257-E261 VanDerWaalsContact CG-OE1 3.31Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.33Å; Q257-E261 PolarHBondContact NE2-OE1 3.06Å; Q257-E261 WeakPolarHBondContact O-CG 3.39Å; Q257-E261 PolarHBondContact O-N 3.22Å
258	W	98.4	Very high	97.5	Very high	62 Å²	62	51.7 Å²	51.7	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-45.8	177.7	179.5	86.9	0	0	0	112.2	V249 S254 G255 S260 E261 E262 E325 L328	V249-W258 HydrophobicContact CG1-CE3 3.75Å; V249-W258 HydrophobicContact CG1-CZ3 4.2Å; S254-W258 WeakPolarHBondContact O-CB 3.29Å; S254-W258 PolarHBondContact O-N 3.47Å; G255-W258 PolarHBondContact O-N 3.45Å; W258-S260 VanDerWaalsContact C-N 3.29Å; W258-S260 PolarHBondContact O-N 3.32Å; W258-E261 PolarHBondContact O-N 3.49Å; W258-E262 HydrophobicContact CD2-CB 4.49Å; W258-E262 HydrophobicContact CE3-CB 4.5Å; W258-E262 HydrophobicContact CH2-CB 4.28Å; W258-E262 HydrophobicContact CH2-CG 3.9Å; W258-E262 HydrophobicContact CZ2-CB 4.28Å; W258-E262 HydrophobicContact CZ2-CG 4.03Å; W258-E262 HydrophobicContact CZ3-CB 4.41Å; W258-E262 HydrophobicContact CZ3-CG 4.38Å; W258-E262 VanDerWaalsContact O-CB 3.28Å; W258-E262 WeakPolarHBondContact O-CB 2.89Å; W258-E262 PolarHBondContact O-N 2.95Å; W258-E325 HydrophobicContact CH2-CB 3.83Å; W258-E325 HydrophobicContact CH2-CG 4.02Å; W258-E325 HydrophobicContact CZ2-CB 3.76Å; W258-E325 HydrophobicContact CZ2-CG 3.92Å; W258-E325 HydrophobicContact CZ3-CG 4.39Å; W258-L328 HydrophobicContact CH2-CB 3.98Å; W258-L328 HydrophobicContact CZ3-CB 3.99Å; W258-L328 HydrophobicContact CZ3-CD1 4.09Å
259	L	98.2	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.5	-42.6	174.6	-85.6	171	0	0	0	112.1	I246 V249 G255 Q257 E261 F263 L269 L328	I246-L259 HydrophobicContact CG2-CD1 4.5Å; V249-L259 HydrophobicContact CB-CD1 4.39Å; V249-L259 HydrophobicContact CG1-CD1 4.03Å; V249-L259 HydrophobicContact CG1-CG 3.85Å; G255-L259 WeakPolarHBondContact O-CB 3.36Å; G255-L259 PolarHBondContact O-N 2.95Å; Q257-L259 PolarHBondContact O-N 3.42Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 3.01Å; L259-F263 HydrophobicContact CD2-CD2 4.21Å; L259-F263 HydrophobicContact CD2-CE2 3.91Å; L259-F263 WeakPolarHBondContact O-CB 3.39Å; L259-F263 WeakPolarHBondContact O-CD2 2.99Å; L259-F263 PolarHBondContact O-N 3.35Å; L259-F263 VanDerWaalsContact O-N 3.09Å; L259-L269 HydrophobicContact CB-CD1 4.12Å; L259-L269 HydrophobicContact CD1-CD1 4.42Å; L259-L328 HydrophobicContact CD2-CD1 4.06Å
260	S	98.4	Very high	97.3	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-41.1	179.7	-56.4	0	0	0	0	112	L256 Q257 W258 S264 L265 P268 L269	L256-S260 PolarHBondContact O-N 3.21Å; L256-S260 VanDerWaalsContact O-N 3.09Å; L256-S260 PolarHBondContact O-OG 3.29Å; Q257-S260 WeakPolarHBondContact O-CB 3.48Å; Q257-S260 PolarHBondContact O-N 3.35Å; Q257-S260 VanDerWaalsContact O-N 3.09Å; W258-S260 VanDerWaalsContact C-N 3.29Å; W258-S260 PolarHBondContact O-N 3.32Å; S260-S264 PolarHBondContact O-N 2.04Å; S260-L265 PolarHBondContact O-N 2.91Å; S260-P268 WeakPolarHBondContact OG-CA 3.33Å; S260-L269 PolarHBondContact OG-N 2.71Å
261	E	98.2	Very high	97.2	Very high	119 Å²	119	58.2 Å²	58.2	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-72.5	-46.6	178.8	-68.9	171.4	-170.4	0	0	111.5	Q257 W258 L259 F263 S264	Q257-E261 VanDerWaalsContact CG-OE1 3.31Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.33Å; Q257-E261 PolarHBondContact NE2-OE1 3.06Å; Q257-E261 WeakPolarHBondContact O-CG 3.39Å; Q257-E261 PolarHBondContact O-N 3.22Å; W258-E261 PolarHBondContact O-N 3.49Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 3.01Å; E261-F263 PolarHBondContact O-N 3.42Å; E261-S264 WeakPolarHBondContact O-CA 3.32Å; E261-S264 PolarHBondContact O-N 3.27Å; E261-S264 PolarHBondContact O-OG 3Å
262	E	98.1	Very high	97	Very high	38 Å²	38	61.4 Å²	61.4	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-46.2	-178.6	-178.1	54.4	-134.3	0	0	112.1	W258 S264 H329 A332 K336	W258-E262 HydrophobicContact CD2-CB 4.49Å; W258-E262 HydrophobicContact CE3-CB 4.5Å; W258-E262 HydrophobicContact CH2-CB 4.28Å; W258-E262 HydrophobicContact CH2-CG 3.9Å; W258-E262 HydrophobicContact CZ2-CB 4.28Å; W258-E262 HydrophobicContact CZ2-CG 4.03Å; W258-E262 HydrophobicContact CZ3-CB 4.41Å; W258-E262 HydrophobicContact CZ3-CG 4.38Å; W258-E262 VanDerWaalsContact O-CB 3.28Å; W258-E262 WeakPolarHBondContact O-CB 2.89Å; W258-E262 PolarHBondContact O-N 2.95Å; E262-S264 VanDerWaalsContact C-N 3.25Å; E262-S264 PolarHBondContact O-N 3.17Å; E262-H329 IonicContact OE1-CE1 3.83Å; E262-H329 IonicContact OE1-CG 3.64Å; E262-H329 IonicContact OE1-ND1 2.7Å; E262-H329 PolarHBondContact OE1-ND1 2.99Å; E262-H329 IonicContact OE2-ND1 3.18Å; E262-A332 HydrophobicContact CG-CB 3.96Å; E262-K336 PolarHBondContact O-NZ 3.38Å
263	F	97.7	Very high	96.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.8	175.2	-77.5	-102.2	0	0	0	113.2	L259 E261 L265 F278 W281 L282 V331 A332 A335 L348	L259-F263 HydrophobicContact CD2-CD2 4.21Å; L259-F263 HydrophobicContact CD2-CE2 3.91Å; L259-F263 WeakPolarHBondContact O-CB 3.39Å; L259-F263 WeakPolarHBondContact O-CD2 2.99Å; L259-F263 PolarHBondContact O-N 3.35Å; L259-F263 VanDerWaalsContact O-N 3.09Å; E261-F263 PolarHBondContact O-N 3.42Å; F263-L265 VanDerWaalsContact C-N 3.34Å; F263-L265 HydrophobicContact CB-CD2 3.58Å; F263-L265 HydrophobicContact CB-CG 3.87Å; F263-L265 PolarHBondContact O-N 2.92Å; F263-F278 HydrophobicContact CB-CE2 4.49Å; F263-F278 AromaticContact CD1-CE2 3.91Å; F263-F278 HydrophobicContact CD1-CE2 3.91Å; F263-F278 AromaticContact CD1-CZ 3.71Å; F263-F278 HydrophobicContact CD1-CZ 3.71Å; F263-F278 HydrophobicContact CD2-CE2 4.44Å; F263-F278 AromaticContact CD2-CZ 3.84Å; F263-F278 HydrophobicContact CD2-CZ 3.84Å; F263-F278 HydrophobicContact CE1-CE2 4.25Å; F263-F278 AromaticContact CE1-CZ 3.66Å; F263-F278 HydrophobicContact CE1-CZ 3.66Å; F263-F278 HydrophobicContact CE2-CE1 4.49Å; F263-F278 AromaticContact CE2-CZ 3.78Å; F263-F278 HydrophobicContact CE2-CZ 3.78Å; F263-F278 HydrophobicContact CG-CE2 4.02Å; F263-F278 AromaticContact CG-CZ 3.81Å; F263-F278 HydrophobicContact CG-CZ 3.81Å; F263-F278 HydrophobicContact CZ-CE1 4.44Å; F263-F278 AromaticContact CZ-CZ 3.69Å; F263-F278 HydrophobicContact CZ-CZ 3.69Å; F263-W281 HydrophobicContact CD1-CZ3 4.21Å; F263-L282 HydrophobicContact CE1-CD1 4.36Å; F263-L282 HydrophobicContact CE1-CD2 4.03Å; F263-L282 HydrophobicContact CZ-CD1 4.47Å; F263-V331 HydrophobicContact CE1-CG1 4.05Å; F263-V331 HydrophobicContact CZ-CB 4.06Å; F263-V331 HydrophobicContact CZ-CG1 3.76Å; F263-A332 HydrophobicContact CD1-CB 3.95Å; F263-A332 HydrophobicContact CD2-CB 3.86Å; F263-A332 VanDerWaalsContact CE1-CA 3.45Å; F263-A332 HydrophobicContact CE1-CB 3.89Å; F263-A332 HydrophobicContact CE2-CB 3.81Å; F263-A332 HydrophobicContact CG-CB 3.93Å; F263-A332 HydrophobicContact CZ-CB 3.82Å; F263-A335 HydrophobicContact CD1-CB 4.32Å; F263-A335 HydrophobicContact CE1-CB 4.16Å; F263-L348 VanDerWaalsContact O-CD1 3.26Å; F263-L348 WeakPolarHBondContact O-CD1 3.38Å; F263-L348 VanDerWaalsContact O-CG 3.3Å; F263-L348 WeakPolarHBondContact O-CG 3.46Å
264	S	97.4	Very high	96.7	Very high	52 Å²	52	59.8 Å²	59.8	36%	0.364	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	48	-176.8	-47.7	0	0	0	0	111.8	S260 E261 E262 C347 L348	S260-S264 PolarHBondContact O-N 2.04Å; E261-S264 WeakPolarHBondContact O-CA 3.32Å; E261-S264 PolarHBondContact O-N 3.27Å; E261-S264 PolarHBondContact O-OG 3Å; E262-S264 VanDerWaalsContact C-N 3.25Å; E262-S264 PolarHBondContact O-N 3.17Å; S264-C347 CarbonylContact O-C 3.17Å; S264-C347 WeakPolarHBondContact O-CA 3.5Å; S264-C347 WeakPolarHBondContact O-CB 3.31Å; S264-L348 PolarHBondContact O-N 3.16Å
265	L	97.3	Very high	96.7	Very high	19 Å²	19	55.8 Å²	55.8	10%	0.099	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-69.6	142.6	-176	-58.3	-174.1	0	0	0	111.8	S260 F263 S267 L269 F278 L348 T350	S260-L265 PolarHBondContact O-N 2.91Å; F263-L265 VanDerWaalsContact C-N 3.34Å; F263-L265 HydrophobicContact CB-CD2 3.58Å; F263-L265 HydrophobicContact CB-CG 3.87Å; F263-L265 PolarHBondContact O-N 2.92Å; L265-S267 VanDerWaalsContact C-N 3.27Å; L265-S267 WeakPolarHBondContact CB-O 3.36Å; L265-S267 PolarHBondContact O-N 3.31Å; L265-L269 HydrophobicContact CD1-CD1 4.3Å; L265-L269 HydrophobicContact CD1-CD2 3.88Å; L265-L269 HydrophobicContact CD1-CG 3.87Å; L265-F278 HydrophobicContact CD1-CD2 4.12Å; L265-F278 HydrophobicContact CD1-CE2 4.2Å; L265-F278 HydrophobicContact CD2-CE2 4.23Å; L265-L348 WeakPolarHBondContact CA-O 2.97Å; L265-L348 HydrophobicContact CD2-CB 4.14Å; L265-T350 HydrophobicContact CD1-CG2 4.35Å; L265-T350 HydrophobicContact CD2-CG2 3.85Å
266	C	96.6	Very high	96.5	Very high	53 Å²	53	59.3 Å²	59.3	36%	0.358	31%	0.31	S	S	.	.	S	Bend	trans	-68.1	-29.4	176	-61.5	0	0	0	0	112.7	C347 L348 N349	C266-C347 WeakPolarHBondContact CA-SG 3.36Å; C266-C347 HydrophobicContact CB-CB 3.91Å; C266-C347 WeakPolarHBondContact CB-SG 3.32Å; C266-C347 WeakPolarHBondContact SG-CB 3.41Å; C266-C347 PolarHBondContact SG-O 2.99Å; C266-C347 CovalentContact SG-SG 2.03Å; C266-C347 PolarHBondContact SG-SG 3.27Å; C266-L348 PolarHBondContact N-O 3.18Å; C266-L348 VanDerWaalsContact SG-C 3.52Å; C266-N349 HydrophobicContact CB-CB 4.47Å
267	S	95.9	Very high	96.3	Very high	74 Å²	74	61.5 Å²	61.5	52%	0.517	33%	0.327	S	S	.	.	S	Bend	trans	-126.3	124.9	175.6	-69.7	0	0	0	0	108.7	L265	L265-S267 VanDerWaalsContact C-N 3.27Å; L265-S267 WeakPolarHBondContact CB-O 3.36Å; L265-S267 PolarHBondContact O-N 3.31Å
268	P	96.4	Very high	96.2	Very high	79 Å²	79	56.3 Å²	56.3	51%	0.513	30%	0.302	S	S	.	.			trans	-71.5	146.5	-178.7	28.8	-34.3	0	0	0	111.4	S260	S260-P268 WeakPolarHBondContact OG-CA 3.33Å
269	L	97.1	Very high	96.1	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.079	30%	0.296	C	S	.	.			trans	-71.9	127.9	172.7	-50	178.3	0	0	0	109.3	L256 L259 S260 L265 D274 F278	L256-L269 HydrophobicContact CB-CB 4.35Å; L256-L269 HydrophobicContact CD2-CB 3.82Å; L256-L269 HydrophobicContact CD2-CD1 4.36Å; L259-L269 HydrophobicContact CB-CD1 4.12Å; L259-L269 HydrophobicContact CD1-CD1 4.42Å; S260-L269 PolarHBondContact OG-N 2.71Å; L265-L269 HydrophobicContact CD1-CD1 4.3Å; L265-L269 HydrophobicContact CD1-CD2 3.88Å; L265-L269 HydrophobicContact CD1-CG 3.87Å; L269-D274 HydrophobicContact CB-CB 4.16Å; L269-D274 HydrophobicContact CD2-CB 3.93Å; L269-F278 HydrophobicContact CD1-CB 4.28Å; L269-F278 HydrophobicContact CD1-CD1 4.42Å; L269-F278 HydrophobicContact CD1-CG 4.16Å; L269-F278 HydrophobicContact CD2-CB 4.04Å
270	K	95.3	Very high	96	Very high	164 Å²	164	57.6 Å²	57.6	71%	0.713	32%	0.317	S	S	*	.			trans	-112.1	-25.9	-174	-57.9	174.6	-175.7	171.8	0	112.9	D274	K270-D274 WeakPolarHBondContact CA-OD2 3.35Å; K270-D274 VanDerWaalsContact CB-OD2 3.3Å; K270-D274 WeakPolarHBondContact CB-OD2 3.26Å; K270-D274 PolarHBondContact N-OD2 3.13Å
271	N	94.8	Very high	95.8	Very high	64 Å²	64	57.3 Å²	57.3	34%	0.342	31%	0.314	S	S	.	.	S	Bend	trans	-152.4	177.3	-172.4	65.3	73.4	0	0	0	111.5	N273 D274 A275	N271-N273 VanDerWaalsContact C-N 3.3Å; N271-N273 PolarHBondContact O-N 3.33Å; N271-N273 WeakPolarHBondContact OD1-CA 3.19Å; N271-N273 WeakPolarHBondContact OD1-CB 3.27Å; N271-N273 PolarHBondContact OD1-N 3.23Å; N271-D274 PolarHBondContact N-OD2 3.41Å; N271-D274 PolarHBondContact ND2-OD1 3.37Å; N271-D274 PolarHBondContact ND2-OD2 2.96Å; N271-D274 VanDerWaalsContact ND2-OD2 3.13Å; N271-D274 WeakPolarHBondContact O-CB 3.27Å; N271-D274 PolarHBondContact O-N 3.1Å; N271-D274 PolarHBondContact OD1-N 3.15Å; N271-A275 PolarHBondContact O-N 3.18Å
272	K	91.5	Very high	95.8	Very high	158 Å²	158	51.6 Å²	51.6	69%	0.687	29%	0.288	S	S	*	.	H	α-helix	trans	-63.2	-32.2	-178.9	-68.6	-174	177.6	-176.9	0	113.5	D274 A275 V276	K272-D274 VanDerWaalsContact C-N 3.35Å; K272-A275 WeakPolarHBondContact O-CB 3.43Å; K272-A275 PolarHBondContact O-N 3.11Å; K272-V276 WeakPolarHBondContact O-CG2 3.02Å; K272-V276 PolarHBondContact O-N 3.15Å
273	N	93.6	Very high	95.7	Very high	86 Å²	86	51 Å²	51	46%	0.46	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-38.5	177.9	-59.5	-13.4	0	0	0	110.5	L24 N271 A275 V276 S277	L24-N273 HydrophobicContact CD1-CB 3.68Å; L24-N273 WeakPolarHBondContact CD1-ND2 3.32Å; N271-N273 VanDerWaalsContact C-N 3.3Å; N271-N273 PolarHBondContact O-N 3.33Å; N271-N273 WeakPolarHBondContact OD1-CA 3.19Å; N271-N273 WeakPolarHBondContact OD1-CB 3.27Å; N271-N273 PolarHBondContact OD1-N 3.23Å; N273-A275 PolarHBondContact O-N 3.26Å; N273-V276 WeakPolarHBondContact O-CB 3.46Å; N273-V276 PolarHBondContact O-N 2.98Å; N273-V276 VanDerWaalsContact O-N 3.11Å; N273-S277 PolarHBondContact O-N 2.88Å; N273-S277 PolarHBondContact O-OG 3.25Å
274	D	95	Very high	95.6	Very high	48 Å²	48	54.2 Å²	54.2	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-37.8	173.8	-55.9	-13.6	0	0	0	110.9	L269 K270 N271 K272 S277 F278	L269-D274 HydrophobicContact CB-CB 4.16Å; L269-D274 HydrophobicContact CD2-CB 3.93Å; K270-D274 WeakPolarHBondContact CA-OD2 3.35Å; K270-D274 VanDerWaalsContact CB-OD2 3.3Å; K270-D274 WeakPolarHBondContact CB-OD2 3.26Å; K270-D274 PolarHBondContact N-OD2 3.13Å; N271-D274 PolarHBondContact N-OD2 3.41Å; N271-D274 PolarHBondContact ND2-OD1 3.37Å; N271-D274 PolarHBondContact ND2-OD2 2.96Å; N271-D274 VanDerWaalsContact ND2-OD2 3.13Å; N271-D274 WeakPolarHBondContact O-CB 3.27Å; N271-D274 PolarHBondContact O-N 3.1Å; N271-D274 PolarHBondContact OD1-N 3.15Å; K272-D274 VanDerWaalsContact C-N 3.35Å; D274-S277 PolarHBondContact O-N 2.96Å; D274-F278 VanDerWaalsContact O-CB 3.3Å; D274-F278 WeakPolarHBondContact O-CB 3.34Å; D274-F278 PolarHBondContact O-N 2.9Å
275	A	95.8	Very high	95.5	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-66.7	-34.4	174.8	0	0	0	0	0	112.9	L256 N271 K272 N273 K279	L256-A275 HydrophobicContact CD2-CB 4.15Å; N271-A275 PolarHBondContact O-N 3.18Å; K272-A275 WeakPolarHBondContact O-CB 3.43Å; K272-A275 PolarHBondContact O-N 3.11Å; N273-A275 PolarHBondContact O-N 3.26Å; A275-K279 WeakPolarHBondContact O-CG 3.14Å; A275-K279 PolarHBondContact O-N 3.47Å; A275-K279 VanDerWaalsContact O-N 3.09Å
276	V	94.6	Very high	95.6	Very high	80 Å²	80	50.8 Å²	50.8	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-51	172.2	172.9	0	0	0	0	110.2	K272 N273 F278 K279 S280	K272-V276 WeakPolarHBondContact O-CG2 3.02Å; K272-V276 PolarHBondContact O-N 3.15Å; N273-V276 WeakPolarHBondContact O-CB 3.46Å; N273-V276 PolarHBondContact O-N 2.98Å; N273-V276 VanDerWaalsContact O-N 3.11Å; V276-F278 PolarHBondContact O-N 3.18Å; V276-K279 WeakPolarHBondContact O-CB 3.36Å; V276-K279 PolarHBondContact O-N 3.41Å; V276-S280 PolarHBondContact O-N 3.29Å; V276-S280 PolarHBondContact O-OG 2.85Å
277	S	93.6	Very high	95.6	Very high	58 Å²	58	49 Å²	49	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-36.1	177.3	-57.1	0	0	0	0	112.5	N273 D274 S280 W281	N273-S277 PolarHBondContact O-N 2.88Å; N273-S277 PolarHBondContact O-OG 3.25Å; D274-S277 PolarHBondContact O-N 2.96Å; S277-S280 PolarHBondContact O-N 2.76Å; S277-W281 WeakPolarHBondContact O-CB 3.48Å; S277-W281 PolarHBondContact O-N 2.88Å
278	F	96.4	Very high	95.7	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-40.6	174.2	174.4	-104.4	0	0	0	112.7	I246 F263 L265 L269 D274 V276 W281 L282 T350	I246-F278 HydrophobicContact CD1-CD1 4.42Å; I246-F278 HydrophobicContact CD1-CE1 3.99Å; I246-F278 HydrophobicContact CG1-CE1 4.33Å; I246-F278 HydrophobicContact CG2-CD1 4.26Å; I246-F278 HydrophobicContact CG2-CE1 4.45Å; F263-F278 HydrophobicContact CB-CE2 4.49Å; F263-F278 AromaticContact CD1-CE2 3.91Å; F263-F278 HydrophobicContact CD1-CE2 3.91Å; F263-F278 AromaticContact CD1-CZ 3.71Å; F263-F278 HydrophobicContact CD1-CZ 3.71Å; F263-F278 HydrophobicContact CD2-CE2 4.44Å; F263-F278 AromaticContact CD2-CZ 3.84Å; F263-F278 HydrophobicContact CD2-CZ 3.84Å; F263-F278 HydrophobicContact CE1-CE2 4.25Å; F263-F278 AromaticContact CE1-CZ 3.66Å; F263-F278 HydrophobicContact CE1-CZ 3.66Å; F263-F278 HydrophobicContact CE2-CE1 4.49Å; F263-F278 AromaticContact CE2-CZ 3.78Å; F263-F278 HydrophobicContact CE2-CZ 3.78Å; F263-F278 HydrophobicContact CG-CE2 4.02Å; F263-F278 AromaticContact CG-CZ 3.81Å; F263-F278 HydrophobicContact CG-CZ 3.81Å; F263-F278 HydrophobicContact CZ-CE1 4.44Å; F263-F278 AromaticContact CZ-CZ 3.69Å; F263-F278 HydrophobicContact CZ-CZ 3.69Å; L265-F278 HydrophobicContact CD1-CD2 4.12Å; L265-F278 HydrophobicContact CD1-CE2 4.2Å; L265-F278 HydrophobicContact CD2-CE2 4.23Å; L269-F278 HydrophobicContact CD1-CB 4.28Å; L269-F278 HydrophobicContact CD1-CD1 4.42Å; L269-F278 HydrophobicContact CD1-CG 4.16Å; L269-F278 HydrophobicContact CD2-CB 4.04Å; D274-F278 VanDerWaalsContact O-CB 3.3Å; D274-F278 WeakPolarHBondContact O-CB 3.34Å; D274-F278 PolarHBondContact O-N 2.9Å; V276-F278 PolarHBondContact O-N 3.18Å; F278-W281 AromaticContact CD2-CE3 3.82Å; F278-W281 HydrophobicContact CD2-CE3 3.82Å; F278-W281 HydrophobicContact CD2-CZ3 4.08Å; F278-W281 AromaticContact CE2-CE3 3.77Å; F278-W281 HydrophobicContact CE2-CE3 3.77Å; F278-W281 AromaticContact CE2-CZ3 3.55Å; F278-W281 HydrophobicContact CE2-CZ3 3.55Å; F278-W281 HydrophobicContact CZ-CZ3 4.35Å; F278-W281 PolarHBondContact O-N 2.95Å; F278-L282 HydrophobicContact CD1-CD1 4.23Å; F278-L282 HydrophobicContact CE1-CD1 3.55Å; F278-L282 HydrophobicContact CE1-CG 4.37Å; F278-L282 HydrophobicContact CE2-CD1 4.4Å; F278-L282 HydrophobicContact CE2-CG 4.45Å; F278-L282 HydrophobicContact CZ-CD1 3.66Å; F278-L282 HydrophobicContact CZ-CG 4.18Å; F278-L282 PolarHBondContact O-N 2.88Å; F278-T350 HydrophobicContact CD2-CG2 4.25Å
279	K	97.3	Very high	95.7	Very high	26 Å²	26	42.2 Å²	42.2	11%	0.113	22%	0.219	C	C	.	.	H	α-helix	trans	-65	-43.2	174.3	-71.6	-172.2	-58.4	178	0	111.8	W243 I246 N247 A275 V276 W281 L282 Q283 E385	W243-K279 HydrophobicContact CE3-CB 4.33Å; W243-K279 HydrophobicContact CE3-CD 4.29Å; W243-K279 HydrophobicContact CE3-CG 4.15Å; W243-K279 HydrophobicContact CZ3-CB 4.23Å; W243-K279 HydrophobicContact CZ3-CG 4.4Å; I246-K279 HydrophobicContact CB-CD 4.47Å; I246-K279 HydrophobicContact CB-CG 4.47Å; I246-K279 HydrophobicContact CD1-CG 4.04Å; I246-K279 HydrophobicContact CG2-CD 4.1Å; I246-K279 HydrophobicContact CG2-CG 3.87Å; N247-K279 PolarHBondContact OD1-NZ 3.36Å; A275-K279 WeakPolarHBondContact O-CG 3.14Å; A275-K279 PolarHBondContact O-N 3.47Å; A275-K279 VanDerWaalsContact O-N 3.09Å; V276-K279 WeakPolarHBondContact O-CB 3.36Å; V276-K279 PolarHBondContact O-N 3.41Å; K279-W281 VanDerWaalsContact C-N 3.31Å; K279-W281 PolarHBondContact O-N 3.14Å; K279-L282 PolarHBondContact O-N 3.47Å; K279-Q283 PolarHBondContact O-N 2.72Å; K279-E385 WeakPolarHBondContact CD-OE2 3.26Å; K279-E385 VanDerWaalsContact CE-OE2 3.31Å; K279-E385 WeakPolarHBondContact CE-OE2 3.43Å; K279-E385 IonicContact NZ-OE1 3.48Å; K279-E385 PolarHBondContact NZ-OE1 3Å; K279-E385 IonicContact NZ-OE2 3.69Å; K279-E385 PolarHBondContact NZ-OE2 3.3Å
280	S	94.1	Very high	95.8	Very high	62 Å²	62	41.5 Å²	41.5	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-59.5	-42.6	175.2	-56.5	0	0	0	0	111.8	V276 S277 L282 Q283 E284	V276-S280 PolarHBondContact O-N 3.29Å; V276-S280 PolarHBondContact O-OG 2.85Å; S277-S280 PolarHBondContact O-N 2.76Å; S280-L282 PolarHBondContact O-N 2.88Å; S280-Q283 PolarHBondContact O-N 2.76Å; S280-E284 PolarHBondContact O-N 3.02Å
281	W	95.8	Very high	95.9	Very high	4 Å²	4	35 Å²	35	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-42.8	174.5	170.5	80.3	0	0	0	112.7	F263 S277 F278 K279 E284 T285 A335 Y339 L348 T350	F263-W281 HydrophobicContact CD1-CZ3 4.21Å; S277-W281 WeakPolarHBondContact O-CB 3.48Å; S277-W281 PolarHBondContact O-N 2.88Å; F278-W281 AromaticContact CD2-CE3 3.82Å; F278-W281 HydrophobicContact CD2-CE3 3.82Å; F278-W281 HydrophobicContact CD2-CZ3 4.08Å; F278-W281 AromaticContact CE2-CE3 3.77Å; F278-W281 HydrophobicContact CE2-CE3 3.77Å; F278-W281 AromaticContact CE2-CZ3 3.55Å; F278-W281 HydrophobicContact CE2-CZ3 3.55Å; F278-W281 HydrophobicContact CZ-CZ3 4.35Å; F278-W281 PolarHBondContact O-N 2.95Å; K279-W281 VanDerWaalsContact C-N 3.31Å; K279-W281 PolarHBondContact O-N 3.14Å; W281-E284 PolarHBondContact O-N 3.15Å; W281-T285 PolarHBondContact O-N 3.48Å; W281-T285 PolarHBondContact O-OG1 3.44Å; W281-A335 HydrophobicContact CH2-CB 4.21Å; W281-Y339 HydrophobicContact CD2-CE2 4.49Å; W281-Y339 AromaticContact CE2-CE2 3.45Å; W281-Y339 VanDerWaalsContact CE2-CE2 3.45Å; W281-Y339 AromaticContact CE2-CZ 3.47Å; W281-Y339 VanDerWaalsContact CE2-CZ 3.47Å; W281-Y339 AromaticContact CH2-CD2 3.97Å; W281-Y339 HydrophobicContact CH2-CD2 3.97Å; W281-Y339 AromaticContact CH2-CE2 3.8Å; W281-Y339 HydrophobicContact CH2-CE2 3.8Å; W281-Y339 HydrophobicContact CZ2-CD1 4.44Å; W281-Y339 AromaticContact CZ2-CD2 3.38Å; W281-Y339 HydrophobicContact CZ2-CD2 3.38Å; W281-Y339 HydrophobicContact CZ2-CE1 4.19Å; W281-Y339 AromaticContact CZ2-CE2 3.05Å; W281-Y339 HydrophobicContact CZ2-CE2 3.05Å; W281-Y339 HydrophobicContact CZ2-CG 4.09Å; W281-Y339 AromaticContact CZ2-CZ 3.53Å; W281-Y339 AromaticContact NE1-CE1 3.72Å; W281-Y339 AromaticContact NE1-CE2 3.73Å; W281-Y339 AromaticContact NE1-CZ 3.19Å; W281-Y339 PolarHBondContact NE1-OH 3.49Å; W281-L348 HydrophobicContact CH2-CB 4.35Å; W281-L348 HydrophobicContact CH2-CD1 3.95Å; W281-L348 HydrophobicContact CZ2-CB 4.24Å; W281-L348 HydrophobicContact CZ2-CD1 4.41Å; W281-T350 HydrophobicContact CD2-CG2 3.86Å; W281-T350 HydrophobicContact CE3-CG2 4.07Å; W281-T350 HydrophobicContact CG-CG2 4.16Å
282	L	97.3	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-41.6	174.2	-78.3	177.8	0	0	0	112.5	W243 I246 F263 F278 K279 S280 E284 T285 W286 V331 A335	W243-L282 HydrophobicContact CH2-CB 3.95Å; W243-L282 HydrophobicContact CZ3-CB 3.89Å; W243-L282 HydrophobicContact CZ3-CD1 4.4Å; I246-L282 HydrophobicContact CD1-CD1 3.69Å; F263-L282 HydrophobicContact CE1-CD1 4.36Å; F263-L282 HydrophobicContact CE1-CD2 4.03Å; F263-L282 HydrophobicContact CZ-CD1 4.47Å; F278-L282 HydrophobicContact CD1-CD1 4.23Å; F278-L282 HydrophobicContact CE1-CD1 3.55Å; F278-L282 HydrophobicContact CE1-CG 4.37Å; F278-L282 HydrophobicContact CE2-CD1 4.4Å; F278-L282 HydrophobicContact CE2-CG 4.45Å; F278-L282 HydrophobicContact CZ-CD1 3.66Å; F278-L282 HydrophobicContact CZ-CG 4.18Å; F278-L282 PolarHBondContact O-N 2.88Å; K279-L282 PolarHBondContact O-N 3.47Å; S280-L282 PolarHBondContact O-N 2.88Å; L282-E284 VanDerWaalsContact C-N 3.32Å; L282-E284 PolarHBondContact O-N 3.48Å; L282-T285 WeakPolarHBondContact O-CA 3.18Å; L282-T285 WeakPolarHBondContact O-CB 3.39Å; L282-T285 PolarHBondContact O-N 2.98Å; L282-T285 VanDerWaalsContact O-N 3.1Å; L282-W286 HydrophobicContact CD2-CZ2 4Å; L282-W286 PolarHBondContact O-N 3.48Å; L282-W286 VanDerWaalsContact O-N 3.11Å; L282-W286 PolarHBondContact O-NE1 3.04Å; L282-V331 HydrophobicContact CD1-CG1 4.14Å; L282-V331 HydrophobicContact CD2-CG1 4.31Å; L282-A335 HydrophobicContact CD2-CB 4.15Å
283	Q	97.2	Very high	96.3	Very high	25 Å²	25	24.7 Å²	24.7	12%	0.117	14%	0.14	C	C	.	.	H	α-helix	trans	-57.7	-46.8	176	170	167.7	-30.2	0	0	110.9	Y221 W243 K279 S280 T285 W286 V287 F384	Y221-Q283 HydrophobicContact CE1-CG 4.16Å; Y221-Q283 PolarHBondContact OH-NE2 2.94Å; W243-Q283 HydrophobicContact CH2-CB 4.27Å; K279-Q283 PolarHBondContact O-N 2.72Å; S280-Q283 PolarHBondContact O-N 2.76Å; Q283-T285 VanDerWaalsContact C-N 3.28Å; Q283-T285 PolarHBondContact O-N 2.04Å; Q283-W286 PolarHBondContact O-N 3.29Å; Q283-V287 WeakPolarHBondContact O-CG2 3.46Å; Q283-V287 PolarHBondContact O-N 2.97Å; Q283-V287 VanDerWaalsContact O-N 3.12Å; Q283-F384 HydrophobicContact CB-CD1 4.07Å; Q283-F384 HydrophobicContact CB-CE1 4.14Å; Q283-F384 HydrophobicContact CG-CD1 3.6Å; Q283-F384 HydrophobicContact CG-CE1 3.69Å; Q283-F384 HydrophobicContact CG-CG 4.49Å
284	E	94.6	Very high	96.5	Very high	67 Å²	67	20.7 Å²	20.7	31%	0.313	12%	0.119	S	C	.	.	H	α-helix	trans	-63.5	-33.6	175.4	-167.7	175.3	169.6	0	0	112.4	S280 W281 L282 W286 V287 N288 T353	S280-E284 PolarHBondContact O-N 3.02Å; W281-E284 PolarHBondContact O-N 3.15Å; L282-E284 VanDerWaalsContact C-N 3.32Å; L282-E284 PolarHBondContact O-N 3.48Å; E284-W286 PolarHBondContact O-N 2.76Å; E284-V287 PolarHBondContact O-N 3.17Å; E284-N288 WeakPolarHBondContact O-CB 3.19Å; E284-N288 VanDerWaalsContact O-CG 3.26Å; E284-N288 PolarHBondContact O-N 3.01Å; E284-N288 PolarHBondContact O-ND2 3.46Å; E284-T353 WeakPolarHBondContact OE1-CB 3.41Å; E284-T353 PolarHBondContact OE1-OG1 3.37Å; E284-T353 WeakPolarHBondContact OE2-CB 3.34Å; E284-T353 VanDerWaalsContact OE2-CG2 3.22Å; E284-T353 WeakPolarHBondContact OE2-CG2 3.32Å; E284-T353 PolarHBondContact OE2-OG1 3.49Å
285	T	96.4	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.9	-46	173.5	-53.5	0	0	0	0	111.6	W281 L282 Q283 N288 L289 Y338 Y339	W281-T285 PolarHBondContact O-N 3.48Å; W281-T285 PolarHBondContact O-OG1 3.44Å; L282-T285 WeakPolarHBondContact O-CA 3.18Å; L282-T285 WeakPolarHBondContact O-CB 3.39Å; L282-T285 PolarHBondContact O-N 2.98Å; L282-T285 VanDerWaalsContact O-N 3.1Å; Q283-T285 VanDerWaalsContact C-N 3.28Å; Q283-T285 PolarHBondContact O-N 2.04Å; T285-N288 PolarHBondContact O-N 2.67Å; T285-L289 HydrophobicContact CG2-CD1 4.16Å; T285-L289 WeakPolarHBondContact O-CB 3.12Å; T285-L289 WeakPolarHBondContact O-CG 3.29Å; T285-L289 PolarHBondContact O-N 3.26Å; T285-Y338 HydrophobicContact CG2-CD1 4.06Å; T285-Y338 HydrophobicContact CG2-CG 3.97Å; T285-Y339 HydrophobicContact CG2-CE2 3.77Å; T285-Y339 VanDerWaalsContact OG1-CE2 3.28Å; T285-Y339 WeakPolarHBondContact OG1-CE2 3.21Å; T285-Y339 PolarHBondContact OG1-OH 2.84Å; T285-Y339 VanDerWaalsContact OG1-OH 3.05Å
286	W	98.3	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-39.7	179.9	-49.8	135.1	0	0	0	111.9	F228 I239 W243 L282 Q283 E284 L289 A290 V331 A334 M383 F384	F228-W286 HydrophobicContact CE1-CD2 4.46Å; F228-W286 AromaticContact CE1-CE3 3.84Å; F228-W286 HydrophobicContact CE1-CE3 3.84Å; F228-W286 HydrophobicContact CE2-CB 4.09Å; F228-W286 WeakPolarHBondContact CE2-O 3.19Å; F228-W286 HydrophobicContact CZ-CB 3.89Å; F228-W286 HydrophobicContact CZ-CD2 4.39Å; F228-W286 AromaticContact CZ-CE3 3.86Å; F228-W286 HydrophobicContact CZ-CE3 3.86Å; F228-W286 HydrophobicContact CZ-CG 4.43Å; I239-W286 HydrophobicContact CD1-CD2 4.35Å; W243-W286 AromaticContact CH2-CD1 3.81Å; W243-W286 AromaticContact CH2-NE1 3.5Å; W243-W286 AromaticContact CZ2-CD1 3.82Å; W243-W286 AromaticContact CZ2-NE1 3.75Å; L282-W286 HydrophobicContact CD2-CZ2 4Å; L282-W286 PolarHBondContact O-N 3.48Å; L282-W286 VanDerWaalsContact O-N 3.11Å; L282-W286 PolarHBondContact O-NE1 3.04Å; Q283-W286 PolarHBondContact O-N 3.29Å; E284-W286 PolarHBondContact O-N 2.76Å; W286-L289 HydrophobicContact CE3-CD1 3.67Å; W286-L289 HydrophobicContact CZ3-CD1 3.85Å; W286-L289 PolarHBondContact O-N 3.3Å; W286-A290 PolarHBondContact O-N 3.4Å; W286-A290 VanDerWaalsContact O-N 3.13Å; W286-V331 HydrophobicContact CH2-CG1 4.25Å; W286-V331 HydrophobicContact CZ2-CG1 3.83Å; W286-A334 HydrophobicContact CH2-CB 3.86Å; W286-A334 HydrophobicContact CZ3-CB 4.08Å; W286-M383 HydrophobicContact CB-CE 3.85Å; W286-M383 HydrophobicContact CG-CE 4.17Å; W286-F384 HydrophobicContact CB-CE1 4.24Å; W286-F384 HydrophobicContact CB-CZ 4.24Å; W286-F384 AromaticContact CD1-CE1 3.91Å
287	V	97.6	Very high	96.8	Very high	14 Å²	14	21.4 Å²	21.4	9%	0.085	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-49.3	173.4	171.6	0	0	0	0	110.9	F220 Y221 V224 Q283 E284 L289 A290 M291	F220-V287 HydrophobicContact CE1-CB 4.49Å; F220-V287 HydrophobicContact CE1-CG1 3.63Å; F220-V287 HydrophobicContact CE1-CG2 4.04Å; F220-V287 HydrophobicContact CZ-CG1 3.57Å; Y221-V287 HydrophobicContact CD1-CG2 4.22Å; Y221-V287 HydrophobicContact CE1-CG2 3.61Å; V224-V287 HydrophobicContact CG2-CG2 4.33Å; Q283-V287 WeakPolarHBondContact O-CG2 3.46Å; Q283-V287 PolarHBondContact O-N 2.97Å; Q283-V287 VanDerWaalsContact O-N 3.12Å; E284-V287 PolarHBondContact O-N 3.17Å; V287-L289 VanDerWaalsContact C-N 3.34Å; V287-L289 PolarHBondContact O-N 3.04Å; V287-A290 WeakPolarHBondContact O-CB 3.46Å; V287-A290 PolarHBondContact O-N 2.8Å; V287-M291 HydrophobicContact CG1-SD 4.16Å; V287-M291 PolarHBondContact O-N 3.35Å; V287-M291 VanDerWaalsContact O-N 3.08Å
288	N	96.3	Very high	96.8	Very high	12 Å²	12	19.1 Å²	19.1	6%	0.064	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-45.9	179.5	-78.4	-31.1	0	0	0	111.2	E284 T285 A290 M291 V292 L301 Y338 T353	E284-N288 WeakPolarHBondContact O-CB 3.19Å; E284-N288 VanDerWaalsContact O-CG 3.26Å; E284-N288 PolarHBondContact O-N 3.01Å; E284-N288 PolarHBondContact O-ND2 3.46Å; T285-N288 PolarHBondContact O-N 2.67Å; N288-A290 VanDerWaalsContact C-N 3.31Å; N288-A290 PolarHBondContact O-N 2.86Å; N288-M291 WeakPolarHBondContact O-CB 3.42Å; N288-M291 PolarHBondContact O-N 2.78Å; N288-M291 VanDerWaalsContact O-N 3.15Å; N288-V292 WeakPolarHBondContact O-CG2 3.45Å; N288-V292 PolarHBondContact O-N 2.84Å; N288-V292 VanDerWaalsContact O-N 3.1Å; N288-L301 HydrophobicContact CB-CD1 4.09Å; N288-Y338 HydrophobicContact CB-CE2 3.7Å; N288-Y338 VanDerWaalsContact CB-OH 3.31Å; N288-Y338 WeakPolarHBondContact CB-OH 3.33Å; N288-Y338 PolarHBondContact ND2-OH 3.47Å; N288-T353 PolarHBondContact ND2-O 2.88Å; N288-T353 VanDerWaalsContact ND2-O 3.14Å
289	L	97.9	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57	-41.3	176.5	-80.1	164.1	0	0	0	112.7	F228 T285 W286 V287 V292 D293 P308 I309 V312 Y338	F228-L289 HydrophobicContact CZ-CB 4.03Å; F228-L289 HydrophobicContact CZ-CD1 4.22Å; T285-L289 HydrophobicContact CG2-CD1 4.16Å; T285-L289 WeakPolarHBondContact O-CB 3.12Å; T285-L289 WeakPolarHBondContact O-CG 3.29Å; T285-L289 PolarHBondContact O-N 3.26Å; W286-L289 HydrophobicContact CE3-CD1 3.67Å; W286-L289 HydrophobicContact CZ3-CD1 3.85Å; W286-L289 PolarHBondContact O-N 3.3Å; V287-L289 VanDerWaalsContact C-N 3.34Å; V287-L289 PolarHBondContact O-N 3.04Å; L289-V292 CarbonylContact O-C 3.51Å; L289-V292 PolarHBondContact O-N 3.28Å; L289-D293 PolarHBondContact O-N 2.94Å; L289-D293 VanDerWaalsContact O-N 3.12Å; L289-P308 HydrophobicContact CD2-CB 3.75Å; L289-P308 HydrophobicContact CD2-CG 4.28Å; L289-I309 HydrophobicContact CB-CG1 4.29Å; L289-V312 HydrophobicContact CD1-CG1 4.06Å; L289-V312 HydrophobicContact CD1-CG2 4.34Å; L289-V312 HydrophobicContact CD2-CG1 4.49Å; L289-Y338 HydrophobicContact CD2-CD2 3.82Å; L289-Y338 HydrophobicContact CG-CD2 3.81Å; L289-Y338 HydrophobicContact CG-CG 4.44Å
290	A	98.1	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.4	-45.2	174.9	0	0	0	0	0	112	V224 W286 V287 N288 V292 D293 I309 P435	V224-A290 HydrophobicContact CB-CB 4.45Å; V224-A290 HydrophobicContact CG1-CB 4.1Å; V224-A290 HydrophobicContact CG2-CB 4.25Å; W286-A290 PolarHBondContact O-N 3.4Å; W286-A290 VanDerWaalsContact O-N 3.13Å; V287-A290 WeakPolarHBondContact O-CB 3.46Å; V287-A290 PolarHBondContact O-N 2.8Å; N288-A290 VanDerWaalsContact C-N 3.31Å; N288-A290 PolarHBondContact O-N 2.86Å; A290-V292 PolarHBondContact O-N 2.78Å; A290-D293 PolarHBondContact O-N 2.75Å; A290-I309 HydrophobicContact CB-CD1 4.2Å; A290-P435 HydrophobicContact CB-CG 4.33Å
291	M	97.8	Very high	95.7	Very high	26 Å²	26	20.5 Å²	20.5	13%	0.128	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-32	177.5	-67.8	172.6	57.2	0	0	113.1	V287 N288 P435 W436 A458 H459	V287-M291 HydrophobicContact CG1-SD 4.16Å; V287-M291 PolarHBondContact O-N 3.35Å; V287-M291 VanDerWaalsContact O-N 3.08Å; N288-M291 WeakPolarHBondContact O-CB 3.42Å; N288-M291 PolarHBondContact O-N 2.78Å; N288-M291 VanDerWaalsContact O-N 3.15Å; M291-P435 HydrophobicContact CG-CG 4Å; M291-W436 PolarHBondContact SD-NE1 3.03Å; M291-A458 WeakPolarHBondContact O-CB 3.33Å; M291-H459 HydrophobicContact CB-CB 4.17Å; M291-H459 WeakPolarHBondContact O-CB 3.48Å; M291-H459 PolarHBondContact O-N 3.1Å
292	V	96.8	Very high	95.4	Very high	5 Å²	5	22.8 Å²	22.8	3%	0.03	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	29.8	-176.7	-56.8	0	0	0	0	113.8	N288 L289 A290 Y294 F300 L301 L304 P308	N288-V292 WeakPolarHBondContact O-CG2 3.45Å; N288-V292 PolarHBondContact O-N 2.84Å; N288-V292 VanDerWaalsContact O-N 3.1Å; L289-V292 CarbonylContact O-C 3.51Å; L289-V292 PolarHBondContact O-N 3.28Å; A290-V292 PolarHBondContact O-N 2.78Å; V292-Y294 HydrophobicContact CB-CD2 4Å; V292-Y294 HydrophobicContact CB-CE2 3.71Å; V292-Y294 HydrophobicContact CG1-CE2 3.91Å; V292-Y294 WeakPolarHBondContact O-CD2 3.36Å; V292-Y294 PolarHBondContact O-N 3.21Å; V292-F300 HydrophobicContact CG1-CB 4.47Å; V292-F300 HydrophobicContact CG1-CD1 3.96Å; V292-L301 HydrophobicContact CG1-CB 4.42Å; V292-L301 HydrophobicContact CG1-CD1 3.85Å; V292-L301 HydrophobicContact CG1-CG 3.88Å; V292-L304 HydrophobicContact CB-CD1 4.32Å; V292-L304 HydrophobicContact CG2-CD1 3.18Å; V292-P308 WeakPolarHBondContact O-CG 3.36Å
293	D	98.4	Very high	95.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.011	12%	0.124	C	C	.	.			trans	-74.1	63.1	176.8	-162.2	37	0	0	0	112.4	L289 A290 W307 P308 I309 A458	L289-D293 PolarHBondContact O-N 2.94Å; L289-D293 VanDerWaalsContact O-N 3.12Å; A290-D293 PolarHBondContact O-N 2.75Å; D293-W307 WeakPolarHBondContact O-CZ3 3.41Å; D293-W307 VanDerWaalsContact OD1-C 3.3Å; D293-W307 WeakPolarHBondContact OD1-CA 3.41Å; D293-P308 WeakPolarHBondContact OD1-CD 3.31Å; D293-I309 HydrophobicContact CB-CD1 3.83Å; D293-I309 HydrophobicContact CB-CG1 3.99Å; D293-I309 PolarHBondContact OD1-N 3.45Å; D293-I309 VanDerWaalsContact OD1-N 3.1Å; D293-A458 HydrophobicContact CB-CB 4.25Å
294	Y	98.1	Very high	95.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.12	C	C	.	.			trans	-84	150.8	-172	-63.8	-53.7	0	0	0	112.9	V292 Y296 A298 F300 W307 A458 H459 L461	V292-Y294 HydrophobicContact CB-CD2 4Å; V292-Y294 HydrophobicContact CB-CE2 3.71Å; V292-Y294 HydrophobicContact CG1-CE2 3.91Å; V292-Y294 WeakPolarHBondContact O-CD2 3.36Å; V292-Y294 PolarHBondContact O-N 3.21Å; Y294-Y296 PolarHBondContact O-N 3.27Å; Y294-A298 HydrophobicContact CD2-CB 3.65Å; Y294-A298 HydrophobicContact CE2-CB 4.36Å; Y294-A298 HydrophobicContact CG-CB 4.42Å; Y294-F300 HydrophobicContact CE2-CB 4.32Å; Y294-W307 PolarHBondContact O-N 3.07Å; Y294-A458 HydrophobicContact CD1-CB 4.11Å; Y294-A458 HydrophobicContact CE1-CB 4.15Å; Y294-H459 WeakPolarHBondContact CE1-O 3.41Å; Y294-H459 PolarHBondContact OH-O 3.25Å; Y294-L461 HydrophobicContact CD1-CD1 3.82Å; Y294-L461 HydrophobicContact CE1-CB 4.41Å; Y294-L461 HydrophobicContact CE1-CD1 4.27Å
295	P	97.8	Very high	95.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.108	C	C	.	.	S	Bend	trans	-75.4	11.3	-178.8	27.7	-31	0	0	0	114.2	R306 W307 L461 P471	P295-R306 WeakPolarHBondContact O-CD 3.45Å; P295-R306 WeakPolarHBondContact O-CG 3.25Å; P295-R306 PolarHBondContact O-NE 3.21Å; P295-R306 PolarHBondContact O-NH1 2.74Å; P295-W307 HydrophobicContact CB-CH2 4Å; P295-W307 HydrophobicContact CB-CZ2 3.52Å; P295-L461 HydrophobicContact CG-CD1 4.43Å; P295-L461 HydrophobicContact CG-CD2 4.03Å; P295-P471 HydrophobicContact CB-CG 4.12Å; P295-P471 VanDerWaalsContact CG-CD 3.47Å; P295-P471 HydrophobicContact CG-CG 3.98Å
296	Y	97.3	Very high	95.2	Very high	15 Å²	15	26 Å²	26	6%	0.059	13%	0.128	C	C	.	.	S	Bend	trans	-155.6	165.5	179.2	43.3	-95	0	0	0	109.7	Y294 A298 L461 R464 N467 L469 D470	Y294-Y296 PolarHBondContact O-N 3.27Å; Y296-A298 PolarHBondContact O-N 2.96Å; Y296-L461 HydrophobicContact CE1-CD1 4.02Å; Y296-L461 VanDerWaalsContact OH-CD1 3.26Å; Y296-L461 WeakPolarHBondContact OH-CD1 3.41Å; Y296-R464 WeakPolarHBondContact OH-CB 3.46Å; Y296-N467 HydrophobicContact CD1-CB 3.66Å; Y296-N467 HydrophobicContact CE1-CB 3.63Å; Y296-N467 HydrophobicContact CG-CB 4.17Å; Y296-L469 HydrophobicContact CD1-CB 4.31Å; Y296-D470 VanDerWaalsContact CE1-OD1 3.24Å; Y296-D470 WeakPolarHBondContact CE1-OD1 3.3Å
297	E	95.5	Very high	95.2	Very high	129 Å²	129	27.7 Å²	27.7	60%	0.603	13%	0.134	S	C	*	.			trans	-59.8	129.6	172.9	-174.9	176.7	173.9	0	0	109.9	L304	E297-L304 VanDerWaalsContact CA-O 3.31Å; E297-L304 WeakPolarHBondContact CA-O 3.17Å; E297-L304 VanDerWaalsContact CG-O 3.32Å; E297-L304 WeakPolarHBondContact CG-O 3.31Å
298	A	93.1	Very high	95.2	Very high	11 Å²	11	27 Å²	27	9%	0.091	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.7	-176.1	0	0	0	0	0	110	Y294 Y296 L304	Y294-A298 HydrophobicContact CD2-CB 3.65Å; Y294-A298 HydrophobicContact CE2-CB 4.36Å; Y294-A298 HydrophobicContact CG-CB 4.42Å; Y296-A298 PolarHBondContact O-N 2.96Å; A298-L304 PolarHBondContact N-O 2.91Å; A298-L304 VanDerWaalsContact N-O 3.11Å; A298-L304 PolarHBondContact O-N 3.19Å
299	N	90.6	Very high	95.3	Very high	92 Å²	92	26.5 Å²	26.5	49%	0.492	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	77.4	173.4	-172.9	12.9	0	0	0	108.6	W100 P303	W100-N299 VanDerWaalsContact CH2-O 3.31Å; W100-N299 WeakPolarHBondContact CH2-O 3.31Å; N299-P303 WeakPolarHBondContact OD1-CD 3.32Å
300	F	87.3	Confident	95.4	Very high	17 Å²	17	30.7 Å²	30.7	8%	0.075	15%	0.147	C	C	.	.	S	Bend	trans	-102.1	-88	173.3	-169.1	-121.2	0	0	0	108.9	W100 N104 V292 Y294 H460	W100-F300 AromaticContact CE2-CD2 3.85Å; W100-F300 AromaticContact CE2-CE2 3.9Å; W100-F300 HydrophobicContact CH2-CD2 4.47Å; W100-F300 WeakPolarHBondContact CH2-O 2.83Å; W100-F300 VanDerWaalsContact CZ2-C 3.4Å; W100-F300 HydrophobicContact CZ2-CB 4.36Å; W100-F300 AromaticContact CZ2-CD2 3.43Å; W100-F300 HydrophobicContact CZ2-CD2 3.43Å; W100-F300 VanDerWaalsContact CZ2-CD2 3.43Å; W100-F300 AromaticContact CZ2-CE2 3.96Å; W100-F300 HydrophobicContact CZ2-CE2 3.96Å; W100-F300 HydrophobicContact CZ2-CG 4.07Å; W100-F300 WeakPolarHBondContact CZ2-O 2.87Å; W100-F300 AromaticContact NE1-CD2 3.81Å; W100-F300 AromaticContact NE1-CE2 3.37Å; N104-F300 HydrophobicContact CB-CD2 4.05Å; N104-F300 HydrophobicContact CB-CE2 4.08Å; V292-F300 HydrophobicContact CG1-CB 4.47Å; V292-F300 HydrophobicContact CG1-CD1 3.96Å; Y294-F300 HydrophobicContact CE2-CB 4.32Å; F300-H460 AromaticContact CE1-CE1 3.99Å; F300-H460 AromaticContact CZ-CE1 3.84Å; F300-H460 AromaticContact CZ-NE2 3.94Å
301	L	87.3	Confident	95.4	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.042	16%	0.156	C	C	.	.	S	Bend	trans	-71.9	-38.9	176.9	-59.8	179.7	0	0	0	112.4	N288 V292 Y338 T355 L358	N288-L301 HydrophobicContact CB-CD1 4.09Å; V292-L301 HydrophobicContact CG1-CB 4.42Å; V292-L301 HydrophobicContact CG1-CD1 3.85Å; V292-L301 HydrophobicContact CG1-CG 3.88Å; L301-Y338 WeakPolarHBondContact CB-OH 3.5Å; L301-T355 HydrophobicContact CD2-CG2 4.35Å; L301-L358 HydrophobicContact CD2-CD1 4.17Å
302	Q	89.9	Confident	95.4	Very high	52 Å²	52	31 Å²	31	24%	0.243	15%	0.15	C	C	.	.	S	Bend	trans	-145.7	161.1	174.4	-70.8	-62.5	-24.3	0	0	109	L304 Y338	Q302-L304 HydrophobicContact CB-CD1 4.45Å; Q302-L304 HydrophobicContact CB-CD2 4.3Å; Q302-L304 HydrophobicContact CB-CG 4.1Å; Q302-L304 PolarHBondContact O-N 2.92Å; Q302-Y338 HydrophobicContact CB-CE2 4.38Å; Q302-Y338 HydrophobicContact CG-CD1 4.15Å; Q302-Y338 HydrophobicContact CG-CE1 3.7Å; Q302-Y338 HydrophobicContact CG-CE2 4.17Å
303	P	92.7	Very high	95.5	Very high	37 Å²	37	30.9 Å²	30.9	24%	0.24	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	114.2	165.6	-14	28.1	0	0	0	109.5	N299 Y341 T342	N299-P303 WeakPolarHBondContact OD1-CD 3.32Å; P303-Y341 WeakPolarHBondContact O-CB 3.41Å; P303-Y341 WeakPolarHBondContact O-CD1 3.49Å; P303-T342 HydrophobicContact CB-CG2 3.98Å; P303-T342 HydrophobicContact CG-CG2 4.26Å
304	L	95.4	Very high	95.4	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.3	-173.4	-67.4	172	0	0	0	111.9	V292 E297 A298 Q302 P308 V337 Y338	V292-L304 HydrophobicContact CB-CD1 4.32Å; V292-L304 HydrophobicContact CG2-CD1 3.18Å; E297-L304 VanDerWaalsContact CA-O 3.31Å; E297-L304 WeakPolarHBondContact CA-O 3.17Å; E297-L304 VanDerWaalsContact CG-O 3.32Å; E297-L304 WeakPolarHBondContact CG-O 3.31Å; A298-L304 PolarHBondContact N-O 2.91Å; A298-L304 VanDerWaalsContact N-O 3.11Å; A298-L304 PolarHBondContact O-N 3.19Å; Q302-L304 HydrophobicContact CB-CD1 4.45Å; Q302-L304 HydrophobicContact CB-CD2 4.3Å; Q302-L304 HydrophobicContact CB-CG 4.1Å; Q302-L304 PolarHBondContact O-N 2.92Å; L304-P308 HydrophobicContact CB-CB 4.32Å; L304-V337 WeakPolarHBondContact CD2-O 3.4Å; L304-Y338 HydrophobicContact CD1-CD2 3.96Å; L304-Y338 HydrophobicContact CD1-CE2 4.02Å; L304-Y338 HydrophobicContact CD2-CD2 3.91Å; L304-Y338 HydrophobicContact CD2-CG 4.47Å
305	P	96.9	Very high	95.4	Very high	11 Å²	11	43.3 Å²	43.3	7%	0.071	20%	0.201	C	C	.	.			trans	-66.6	168.7	176.1	29	-33.7	0	0	0	111.4	W307 P308 V311 V337 Y341	P305-W307 PolarHBondContact O-N 2.97Å; P305-P308 HydrophobicContact CG-CB 4.34Å; P305-P308 VanDerWaalsContact O-CD 3.3Å; P305-P308 WeakPolarHBondContact O-CD 3.43Å; P305-V311 HydrophobicContact CB-CG2 4.23Å; P305-V311 HydrophobicContact CG-CB 4.24Å; P305-V311 HydrophobicContact CG-CG1 4.33Å; P305-V311 HydrophobicContact CG-CG2 3.88Å; P305-V337 HydrophobicContact CG-CG1 4.06Å; P305-Y341 HydrophobicContact CB-CD2 4.38Å; P305-Y341 HydrophobicContact CB-CE1 4.41Å; P305-Y341 HydrophobicContact CB-CE2 3.63Å; P305-Y341 HydrophobicContact CG-CD2 4.07Å; P305-Y341 HydrophobicContact CG-CE2 3.8Å
306	R	96.6	Very high	95.4	Very high	108 Å²	108	43.2 Å²	43.2	41%	0.408	20%	0.201	S	C	.	.	S	Bend	trans	-56.6	134.7	164.5	168.3	172	168.8	122.1	-4.2	110.9	P295	P295-R306 WeakPolarHBondContact O-CD 3.45Å; P295-R306 WeakPolarHBondContact O-CG 3.25Å; P295-R306 PolarHBondContact O-NE 3.21Å; P295-R306 PolarHBondContact O-NH1 2.74Å
307	W	98	Very high	95.2	Very high	35 Å²	35	44.1 Å²	44.1	13%	0.133	22%	0.215	C	C	.	.	S	Bend	trans	48.9	60.2	-179.6	-61.2	125.9	0	0	0	111.7	D293 Y294 P295 P305 I309 Q310 V311 L433 D456	D293-W307 WeakPolarHBondContact O-CZ3 3.41Å; D293-W307 VanDerWaalsContact OD1-C 3.3Å; D293-W307 WeakPolarHBondContact OD1-CA 3.41Å; Y294-W307 PolarHBondContact O-N 3.07Å; P295-W307 HydrophobicContact CB-CH2 4Å; P295-W307 HydrophobicContact CB-CZ2 3.52Å; P305-W307 PolarHBondContact O-N 2.97Å; W307-I309 PolarHBondContact O-N 3.29Å; W307-I309 VanDerWaalsContact O-N 3.16Å; W307-Q310 HydrophobicContact CB-CB 4.05Å; W307-Q310 HydrophobicContact CB-CG 3.97Å; W307-Q310 WeakPolarHBondContact O-CB 3.29Å; W307-Q310 PolarHBondContact O-N 3.18Å; W307-V311 PolarHBondContact O-N 2.92Å; W307-L433 HydrophobicContact CH2-CD1 4.14Å; W307-L433 HydrophobicContact CZ3-CD1 3.55Å; W307-D456 HydrophobicContact CH2-CB 4.48Å
308	P	98.3	Very high	95.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-30.4	-173.5	27.4	-37.1	0	0	0	112.7	L289 V292 D293 L304 P305 V311 V312	L289-P308 HydrophobicContact CD2-CB 3.75Å; L289-P308 HydrophobicContact CD2-CG 4.28Å; V292-P308 WeakPolarHBondContact O-CG 3.36Å; D293-P308 WeakPolarHBondContact OD1-CD 3.31Å; L304-P308 HydrophobicContact CB-CB 4.32Å; P305-P308 HydrophobicContact CG-CB 4.34Å; P305-P308 VanDerWaalsContact O-CD 3.3Å; P305-P308 WeakPolarHBondContact O-CD 3.43Å; P308-V311 PolarHBondContact O-N 3.37Å; P308-V312 PolarHBondContact O-N 3.12Å
309	I	98.6	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175	-57.9	-179	0	0	0	110.8	D227 F228 S231 L289 A290 D293 W307 V311 V312 C313	D227-I309 HydrophobicContact CB-CD1 3.75Å; F228-I309 HydrophobicContact CB-CG2 4.38Å; F228-I309 HydrophobicContact CD1-CG2 3.74Å; F228-I309 HydrophobicContact CD2-CD1 4.18Å; F228-I309 HydrophobicContact CD2-CG2 4.08Å; F228-I309 HydrophobicContact CE1-CG2 3.97Å; F228-I309 HydrophobicContact CE2-CD1 3.98Å; F228-I309 HydrophobicContact CE2-CG1 4.26Å; F228-I309 HydrophobicContact CE2-CG2 4.3Å; F228-I309 HydrophobicContact CG-CG2 3.82Å; F228-I309 HydrophobicContact CZ-CG1 4.29Å; F228-I309 HydrophobicContact CZ-CG2 4.24Å; S231-I309 VanDerWaalsContact CB-CG2 3.4Å; L289-I309 HydrophobicContact CB-CG1 4.29Å; A290-I309 HydrophobicContact CB-CD1 4.2Å; D293-I309 HydrophobicContact CB-CD1 3.83Å; D293-I309 HydrophobicContact CB-CG1 3.99Å; D293-I309 PolarHBondContact OD1-N 3.45Å; D293-I309 VanDerWaalsContact OD1-N 3.1Å; W307-I309 PolarHBondContact O-N 3.29Å; W307-I309 VanDerWaalsContact O-N 3.16Å; I309-V311 PolarHBondContact O-N 3.42Å; I309-V312 HydrophobicContact CG2-CG2 4.5Å; I309-V312 WeakPolarHBondContact O-CG2 3.48Å; I309-V312 PolarHBondContact O-N 3.08Å; I309-C313 WeakPolarHBondContact O-CB 3.11Å; I309-C313 PolarHBondContact O-N 2.58Å; I309-C313 PolarHBondContact O-SG 3.29Å
310	Q	98.3	Very high	93.8	Very high	89 Å²	89	44.4 Å²	44.4	42%	0.416	23%	0.226	S	C	.	.	H	α-helix	trans	-62	-31.8	176	-64.3	178.9	13.4	0	0	112.2	W307 K314	W307-Q310 HydrophobicContact CB-CB 4.05Å; W307-Q310 HydrophobicContact CB-CG 3.97Å; W307-Q310 WeakPolarHBondContact O-CB 3.29Å; W307-Q310 PolarHBondContact O-N 3.18Å; Q310-K314 WeakPolarHBondContact O-CG 3.27Å
311	V	98.3	Very high	93.1	Very high	31 Å²	31	49.8 Å²	49.8	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-49.4	176.8	179.9	0	0	0	0	110.8	P305 W307 P308 I309 C313 K314 V337	P305-V311 HydrophobicContact CB-CG2 4.23Å; P305-V311 HydrophobicContact CG-CB 4.24Å; P305-V311 HydrophobicContact CG-CG1 4.33Å; P305-V311 HydrophobicContact CG-CG2 3.88Å; W307-V311 PolarHBondContact O-N 2.92Å; P308-V311 PolarHBondContact O-N 3.37Å; I309-V311 PolarHBondContact O-N 3.42Å; V311-C313 VanDerWaalsContact C-N 3.31Å; V311-C313 PolarHBondContact O-N 2.98Å; V311-K314 WeakPolarHBondContact O-CB 3.5Å; V311-K314 PolarHBondContact O-N 2.81Å; V311-V337 HydrophobicContact CB-CG1 4.44Å; V311-V337 HydrophobicContact CG1-CG1 4Å; V311-V337 HydrophobicContact CG1-CG2 4.09Å
312	V	98.1	Very high	93.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-37.1	179	-62	0	0	0	0	111.9	F228 L289 P308 I309 K314 Y315 A334 V337	F228-V312 HydrophobicContact CE1-CG2 3.83Å; L289-V312 HydrophobicContact CD1-CG1 4.06Å; L289-V312 HydrophobicContact CD1-CG2 4.34Å; L289-V312 HydrophobicContact CD2-CG1 4.49Å; P308-V312 PolarHBondContact O-N 3.12Å; I309-V312 HydrophobicContact CG2-CG2 4.5Å; I309-V312 WeakPolarHBondContact O-CG2 3.48Å; I309-V312 PolarHBondContact O-N 3.08Å; V312-K314 PolarHBondContact O-N 2.8Å; V312-K314 VanDerWaalsContact O-N 3.15Å; V312-Y315 WeakPolarHBondContact O-CB 3.44Å; V312-Y315 PolarHBondContact O-N 2.92Å; V312-A334 HydrophobicContact CB-CB 3.84Å; V312-A334 HydrophobicContact CG1-CB 4.2Å; V312-A334 WeakPolarHBondContact CG1-O 3.44Å; V312-V337 HydrophobicContact CG1-CB 3.67Å; V312-V337 HydrophobicContact CG1-CG1 3.94Å; V312-V337 HydrophobicContact CG1-CG2 3.95Å
313	C	98.4	Very high	93.6	Very high	4 Å²	4	51 Å²	51	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-17.6	-179.6	-72.7	0	0	0	0	113.9	C235 I309 V311 Y315 L316 G317	C235-C313 HydrophobicContact CB-CB 3.63Å; C235-C313 WeakPolarHBondContact CB-SG 3.46Å; C235-C313 WeakPolarHBondContact SG-CA 3.37Å; C235-C313 WeakPolarHBondContact SG-CB 3.12Å; C235-C313 CovalentContact SG-SG 2.04Å; C235-C313 PolarHBondContact SG-SG 3.42Å; I309-C313 WeakPolarHBondContact O-CB 3.11Å; I309-C313 PolarHBondContact O-N 2.58Å; I309-C313 PolarHBondContact O-SG 3.29Å; V311-C313 VanDerWaalsContact C-N 3.31Å; V311-C313 PolarHBondContact O-N 2.98Å; C313-Y315 PolarHBondContact O-N 2.83Å; C313-L316 PolarHBondContact O-N 3.2Å; C313-G317 PolarHBondContact O-N 3.47Å
314	K	97.6	Very high	93.8	Very high	164 Å²	164	51.8 Å²	51.8	71%	0.713	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29	170.6	-68.8	169.5	-174.1	175.6	0	112.6	Q310 V311 V312 L316	Q310-K314 WeakPolarHBondContact O-CG 3.27Å; V311-K314 WeakPolarHBondContact O-CB 3.5Å; V311-K314 PolarHBondContact O-N 2.81Å; V312-K314 PolarHBondContact O-N 2.8Å; V312-K314 VanDerWaalsContact O-N 3.15Å; K314-L316 VanDerWaalsContact C-N 3.33Å
315	Y	97.9	Very high	93.8	Very high	100 Å²	100	56.7 Å²	56.7	39%	0.392	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.8	177.1	-59.5	-75	0	0	0	113.2	V312 C313 F318 G330 Q333 V337	V312-Y315 WeakPolarHBondContact O-CB 3.44Å; V312-Y315 PolarHBondContact O-N 2.92Å; C313-Y315 PolarHBondContact O-N 2.83Å; Y315-F318 VanDerWaalsContact O-CE2 3.26Å; Y315-F318 WeakPolarHBondContact O-CE2 3.19Å; Y315-G330 WeakPolarHBondContact O-CA 3.42Å; Y315-Q333 HydrophobicContact CD1-CB 3.46Å; Y315-Q333 VanDerWaalsContact CD1-CB 3.46Å; Y315-Q333 HydrophobicContact CD1-CG 4.04Å; Y315-Q333 HydrophobicContact CD2-CB 4.2Å; Y315-Q333 HydrophobicContact CE1-CB 3.83Å; Y315-Q333 HydrophobicContact CE1-CG 4.3Å; Y315-Q333 HydrophobicContact CG-CB 3.65Å; Y315-V337 HydrophobicContact CD2-CG2 4.37Å; Y315-V337 HydrophobicContact CE2-CG2 3.82Å
316	L	96.9	Very high	93.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-120.2	16.4	-172.3	-60.6	172.4	0	0	0	112.6	N238 I239 C313 K314 F318 V331 A334	N238-L316 HydrophobicContact CB-CB 4.5Å; N238-L316 PolarHBondContact ND2-O 3.44Å; I239-L316 HydrophobicContact CD1-CD1 4.03Å; I239-L316 HydrophobicContact CG1-CD1 3.78Å; C313-L316 PolarHBondContact O-N 3.2Å; K314-L316 VanDerWaalsContact C-N 3.33Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 PolarHBondContact O-N 3.45Å; L316-F318 VanDerWaalsContact O-N 3.15Å; L316-V331 HydrophobicContact CD2-CG2 3.82Å; L316-A334 HydrophobicContact CD1-CB 4.05Å; L316-A334 HydrophobicContact CG-CB 4.35Å
317	G	94.4	Very high	93.9	Very high	34 Å²	34	56.3 Å²	56.3	35%	0.351	30%	0.3	S	S	.	.			trans	-83.7	35.7	-174.4	0	0	0	0	0	116.3	K233 C313	K233-G317 WeakPolarHBondContact O-CA 3.44Å; C313-G317 PolarHBondContact O-N 3.47Å
318	F	93.4	Very high	93.9	Very high	59 Å²	59	54.6 Å²	54.6	26%	0.259	29%	0.294	S	S	.	.			trans	-79.6	137.5	-173.6	-55.3	-73.8	0	0	0	113.2	N234 N238 Y315 L316 V322 L327	N234-F318 WeakPolarHBondContact CB-O 3.29Å; N234-F318 PolarHBondContact ND2-O 3.12Å; N238-F318 PolarHBondContact ND2-N 2.92Å; N238-F318 PolarHBondContact ND2-O 3.43Å; Y315-F318 VanDerWaalsContact O-CE2 3.26Å; Y315-F318 WeakPolarHBondContact O-CE2 3.19Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 PolarHBondContact O-N 3.45Å; L316-F318 VanDerWaalsContact O-N 3.15Å; F318-V322 HydrophobicContact CB-CG1 4.13Å; F318-V322 HydrophobicContact CB-CG2 4.29Å; F318-V322 HydrophobicContact CD1-CG1 3.59Å; F318-V322 HydrophobicContact CD1-CG2 4.46Å; F318-V322 HydrophobicContact CD2-CG2 4.25Å; F318-V322 HydrophobicContact CE1-CG1 4.16Å; F318-V322 HydrophobicContact CG-CG1 3.94Å; F318-V322 HydrophobicContact CG-CG2 4.09Å; F318-L327 HydrophobicContact CD2-CD1 4.24Å; F318-L327 HydrophobicContact CE2-CD1 4.41Å
319	D	82.4	Confident	93.9	Very high	110 Å²	110	58.8 Å²	58.8	59%	0.588	31%	0.313	S	S	*	.			trans	-95.2	-15	-175.5	-77.7	-22.8	0	0	0	115.5	K233 N234	K233-D319 WeakPolarHBondContact CD-OD1 3.39Å; K233-D319 WeakPolarHBondContact CE-OD1 3.37Å; K233-D319 IonicContact NZ-OD1 3.6Å; K233-D319 PolarHBondContact NZ-OD1 3.15Å; K233-D319 IonicContact NZ-OD2 3.7Å; K233-D319 PolarHBondContact NZ-OD2 3.11Å; N234-D319 PolarHBondContact ND2-OD1 3.45Å
320	A	73	Confident	93.9	Very high	69 Å²	69	59 Å²	59	57%	0.57	32%	0.315	S	S	*	.	S	Bend	trans	-147.5	-179.1	-177.5	0	0	0	0	0	111.8	R241 V322	R241-A320 PolarHBondContact NH1-O 3.46Å; A320-V322 VanDerWaalsContact C-N 3.27Å; A320-V322 PolarHBondContact O-N 2.98Å
321	T	72.4	Confident	93.9	Very high	130 Å²	130	54.7 Å²	54.7	80%	0.798	30%	0.295	S	S	*	.			trans	-70	79.3	-179.6	54.8	0	0	0	0	112
322	V	91.8	Very high	93.9	Very high	30 Å²	30	53.2 Å²	53.2	18%	0.182	29%	0.286	C	S	.	.			trans	-54.4	152.3	155.7	-66.7	0	0	0	0	109.7	F318 A320 Q326 L327	F318-V322 HydrophobicContact CB-CG1 4.13Å; F318-V322 HydrophobicContact CB-CG2 4.29Å; F318-V322 HydrophobicContact CD1-CG1 3.59Å; F318-V322 HydrophobicContact CD1-CG2 4.46Å; F318-V322 HydrophobicContact CD2-CG2 4.25Å; F318-V322 HydrophobicContact CE1-CG1 4.16Å; F318-V322 HydrophobicContact CG-CG1 3.94Å; F318-V322 HydrophobicContact CG-CG2 4.09Å; A320-V322 VanDerWaalsContact C-N 3.27Å; A320-V322 PolarHBondContact O-N 2.98Å; V322-Q326 HydrophobicContact CB-CB 3.87Å; V322-Q326 HydrophobicContact CG2-CB 4.5Å; V322-L327 HydrophobicContact CG2-CB 3.93Å
323	S	95.6	Very high	93.9	Very high	55 Å²	55	55.8 Å²	55.8	39%	0.385	30%	0.298	S	S	.	.			trans	-60.9	158.9	175	69.9	0	0	0	0	110.8	E325 Q326 L327	S323-E325 PolarHBondContact O-N 2.87Å; S323-Q326 PolarHBondContact O-N 3.18Å; S323-Q326 VanDerWaalsContact O-N 3.13Å; S323-Q326 WeakPolarHBondContact OG-CB 3.23Å; S323-Q326 WeakPolarHBondContact OG-CG 3.31Å; S323-Q326 PolarHBondContact OG-N 3.41Å; S323-Q326 VanDerWaalsContact OG-N 3.14Å; S323-L327 PolarHBondContact O-N 3.2Å
324	D	96.5	Very high	93.9	Very high	54 Å²	54	55.6 Å²	55.6	29%	0.289	30%	0.297	S	S	.	.	H	α-helix	trans	-54.6	-42.8	175	-74.2	-6.7	0	0	0	110.6	A245 N248 V249 Q326 L327 L328	A245-D324 HydrophobicContact CB-CB 3.74Å; N248-D324 VanDerWaalsContact CB-OD2 3.3Å; N248-D324 WeakPolarHBondContact CB-OD2 3.36Å; N248-D324 PolarHBondContact ND2-OD2 3.15Å; V249-D324 HydrophobicContact CG2-CB 4.04Å; D324-Q326 PolarHBondContact O-N 2.7Å; D324-L327 PolarHBondContact O-N 2.96Å; D324-L328 WeakPolarHBondContact O-CB 3.43Å; D324-L328 WeakPolarHBondContact O-CD1 3.18Å; D324-L328 WeakPolarHBondContact O-CG 3.34Å; D324-L328 PolarHBondContact O-N 2.84Å
325	E	96.6	Very high	93.9	Very high	108 Å²	108	47.8 Å²	47.8	51%	0.505	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-42.5	176.6	-67	177.9	173.1	0	0	113.1	W258 S323 L328 H329	W258-E325 HydrophobicContact CH2-CB 3.83Å; W258-E325 HydrophobicContact CH2-CG 4.02Å; W258-E325 HydrophobicContact CZ2-CB 3.76Å; W258-E325 HydrophobicContact CZ2-CG 3.92Å; W258-E325 HydrophobicContact CZ3-CG 4.39Å; S323-E325 PolarHBondContact O-N 2.87Å; E325-L328 PolarHBondContact O-N 2.79Å; E325-H329 WeakPolarHBondContact O-CB 3.46Å; E325-H329 PolarHBondContact O-N 3.35Å
326	Q	96.9	Very high	93.8	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	25%	0.253	S	S	.	.	H	α-helix	trans	-65.6	-39.8	177.1	-77.3	174.9	-34.8	0	0	112.1	V322 S323 D324 G330	V322-Q326 HydrophobicContact CB-CB 3.87Å; V322-Q326 HydrophobicContact CG2-CB 4.5Å; S323-Q326 PolarHBondContact O-N 3.18Å; S323-Q326 VanDerWaalsContact O-N 3.13Å; S323-Q326 WeakPolarHBondContact OG-CB 3.23Å; S323-Q326 WeakPolarHBondContact OG-CG 3.31Å; S323-Q326 PolarHBondContact OG-N 3.41Å; S323-Q326 VanDerWaalsContact OG-N 3.14Å; D324-Q326 PolarHBondContact O-N 2.7Å; Q326-G330 PolarHBondContact O-N 2.7Å
327	L	97.9	Very high	93.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-48.1	174.8	178.5	57.6	0	0	0	110.6	N238 R241 A245 F318 V322 S323 D324 H329 G330 V331	N238-L327 HydrophobicContact CB-CD1 3.83Å; R241-L327 HydrophobicContact CB-CD2 3.8Å; A245-L327 HydrophobicContact CB-CD2 4.24Å; F318-L327 HydrophobicContact CD2-CD1 4.24Å; F318-L327 HydrophobicContact CE2-CD1 4.41Å; V322-L327 HydrophobicContact CG2-CB 3.93Å; S323-L327 PolarHBondContact O-N 3.2Å; D324-L327 PolarHBondContact O-N 2.96Å; L327-H329 VanDerWaalsContact C-N 3.32Å; L327-H329 PolarHBondContact O-N 2.6Å; L327-G330 WeakPolarHBondContact O-CA 3.48Å; L327-G330 PolarHBondContact O-N 3.22Å; L327-V331 WeakPolarHBondContact O-CG2 3.37Å; L327-V331 PolarHBondContact O-N 3.1Å
328	L	98.5	Very high	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.4	-29.3	-177.6	-64.7	170.8	0	0	0	112.7	A245 I246 V249 W258 L259 D324 E325 V331 A332	A245-L328 HydrophobicContact CB-CD1 4.06Å; A245-L328 HydrophobicContact CB-CD2 4.09Å; A245-L328 HydrophobicContact CB-CG 4.01Å; I246-L328 HydrophobicContact CD1-CD2 4.35Å; I246-L328 HydrophobicContact CG1-CD2 3.48Å; I246-L328 VanDerWaalsContact CG1-CD2 3.48Å; V249-L328 HydrophobicContact CB-CD1 4.09Å; V249-L328 HydrophobicContact CG2-CD1 3.69Å; W258-L328 HydrophobicContact CH2-CB 3.98Å; W258-L328 HydrophobicContact CZ3-CB 3.99Å; W258-L328 HydrophobicContact CZ3-CD1 4.09Å; L259-L328 HydrophobicContact CD2-CD1 4.06Å; D324-L328 WeakPolarHBondContact O-CB 3.43Å; D324-L328 WeakPolarHBondContact O-CD1 3.18Å; D324-L328 WeakPolarHBondContact O-CG 3.34Å; D324-L328 PolarHBondContact O-N 2.84Å; E325-L328 PolarHBondContact O-N 2.79Å; L328-V331 PolarHBondContact O-N 3.02Å; L328-A332 WeakPolarHBondContact O-CB 3.31Å; L328-A332 PolarHBondContact O-N 3.11Å
329	H	98.5	Very high	93.9	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-58.9	-47	166.7	178.8	72.4	0	0	0	111.1	E262 E325 L327 V331 A332 Q333	E262-H329 IonicContact OE1-CE1 3.83Å; E262-H329 IonicContact OE1-CG 3.64Å; E262-H329 IonicContact OE1-ND1 2.7Å; E262-H329 PolarHBondContact OE1-ND1 2.99Å; E262-H329 IonicContact OE2-ND1 3.18Å; E325-H329 WeakPolarHBondContact O-CB 3.46Å; E325-H329 PolarHBondContact O-N 3.35Å; L327-H329 VanDerWaalsContact C-N 3.32Å; L327-H329 PolarHBondContact O-N 2.6Å; H329-V331 VanDerWaalsContact C-N 3.33Å; H329-V331 PolarHBondContact O-N 3.49Å; H329-A332 WeakPolarHBondContact O-CB 3.46Å; H329-A332 PolarHBondContact O-N 3.48Å; H329-Q333 WeakPolarHBondContact O-CG 3.24Å; H329-Q333 PolarHBondContact O-N 2.89Å
330	G	98.3	Very high	94.4	Very high	3 Å²	3	39.3 Å²	39.3	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-42.1	174.5	0	0	0	0	0	112.8	Y315 Q326 L327 Q333 A334	Y315-G330 WeakPolarHBondContact O-CA 3.42Å; Q326-G330 PolarHBondContact O-N 2.7Å; L327-G330 WeakPolarHBondContact O-CA 3.48Å; L327-G330 PolarHBondContact O-N 3.22Å; G330-Q333 PolarHBondContact O-N 3.15Å; G330-A334 WeakPolarHBondContact O-CB 3.37Å; G330-A334 PolarHBondContact O-N 3.37Å
331	V	98.5	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-40	175.1	179.8	0	0	0	0	111.6	F263 L282 W286 L316 L327 L328 H329 A334 A335	F263-V331 HydrophobicContact CE1-CG1 4.05Å; F263-V331 HydrophobicContact CZ-CB 4.06Å; F263-V331 HydrophobicContact CZ-CG1 3.76Å; L282-V331 HydrophobicContact CD1-CG1 4.14Å; L282-V331 HydrophobicContact CD2-CG1 4.31Å; W286-V331 HydrophobicContact CH2-CG1 4.25Å; W286-V331 HydrophobicContact CZ2-CG1 3.83Å; L316-V331 HydrophobicContact CD2-CG2 3.82Å; L327-V331 WeakPolarHBondContact O-CG2 3.37Å; L327-V331 PolarHBondContact O-N 3.1Å; L328-V331 PolarHBondContact O-N 3.02Å; H329-V331 VanDerWaalsContact C-N 3.33Å; H329-V331 PolarHBondContact O-N 3.49Å; V331-A334 WeakPolarHBondContact O-CB 3.44Å; V331-A334 PolarHBondContact O-N 3.5Å; V331-A335 WeakPolarHBondContact O-CB 3.26Å; V331-A335 PolarHBondContact O-N 3.08Å
332	A	98.5	Very high	96.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-41.2	175.9	0	0	0	0	0	111.9	E262 F263 L328 H329 A335 K336	E262-A332 HydrophobicContact CG-CB 3.96Å; F263-A332 HydrophobicContact CD1-CB 3.95Å; F263-A332 HydrophobicContact CD2-CB 3.86Å; F263-A332 VanDerWaalsContact CE1-CA 3.45Å; F263-A332 HydrophobicContact CE1-CB 3.89Å; F263-A332 HydrophobicContact CE2-CB 3.81Å; F263-A332 HydrophobicContact CG-CB 3.93Å; F263-A332 HydrophobicContact CZ-CB 3.82Å; L328-A332 WeakPolarHBondContact O-CB 3.31Å; L328-A332 PolarHBondContact O-N 3.11Å; H329-A332 WeakPolarHBondContact O-CB 3.46Å; H329-A332 PolarHBondContact O-N 3.48Å; A332-A335 PolarHBondContact O-N 3.13Å; A332-K336 VanDerWaalsContact O-CG 3.25Å; A332-K336 WeakPolarHBondContact O-CG 3.39Å; A332-K336 PolarHBondContact O-N 2.82Å
333	Q	98.4	Very high	96.3	Very high	53 Å²	53	39.5 Å²	39.5	25%	0.248	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-42.4	173.8	-61.5	-51.5	-54.1	0	0	111.7	Y315 H329 G330 K336 V337	Y315-Q333 HydrophobicContact CD1-CB 3.46Å; Y315-Q333 VanDerWaalsContact CD1-CB 3.46Å; Y315-Q333 HydrophobicContact CD1-CG 4.04Å; Y315-Q333 HydrophobicContact CD2-CB 4.2Å; Y315-Q333 HydrophobicContact CE1-CB 3.83Å; Y315-Q333 HydrophobicContact CE1-CG 4.3Å; Y315-Q333 HydrophobicContact CG-CB 3.65Å; H329-Q333 WeakPolarHBondContact O-CG 3.24Å; H329-Q333 PolarHBondContact O-N 2.89Å; G330-Q333 PolarHBondContact O-N 3.15Å; Q333-K336 PolarHBondContact O-N 2.84Å; Q333-V337 PolarHBondContact O-N 3.01Å
334	A	98.1	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-47.1	174.7	0	0	0	0	0	112.2	W286 V312 L316 G330 V331 K336 V337	W286-A334 HydrophobicContact CH2-CB 3.86Å; W286-A334 HydrophobicContact CZ3-CB 4.08Å; V312-A334 HydrophobicContact CB-CB 3.84Å; V312-A334 HydrophobicContact CG1-CB 4.2Å; V312-A334 WeakPolarHBondContact CG1-O 3.44Å; L316-A334 HydrophobicContact CD1-CB 4.05Å; L316-A334 HydrophobicContact CG-CB 4.35Å; G330-A334 WeakPolarHBondContact O-CB 3.37Å; G330-A334 PolarHBondContact O-N 3.37Å; V331-A334 WeakPolarHBondContact O-CB 3.44Å; V331-A334 PolarHBondContact O-N 3.5Å; A334-K336 VanDerWaalsContact C-N 3.3Å; A334-K336 PolarHBondContact O-N 2.74Å; A334-V337 WeakPolarHBondContact O-CB 3.46Å; A334-V337 PolarHBondContact O-N 2.87Å; A334-V337 VanDerWaalsContact O-N 3.1Å
335	A	97	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-36.6	176.6	0	0	0	0	0	112.2	F263 W281 L282 V331 A332 V337 Y338 Y339	F263-A335 HydrophobicContact CD1-CB 4.32Å; F263-A335 HydrophobicContact CE1-CB 4.16Å; W281-A335 HydrophobicContact CH2-CB 4.21Å; L282-A335 HydrophobicContact CD2-CB 4.15Å; V331-A335 WeakPolarHBondContact O-CB 3.26Å; V331-A335 PolarHBondContact O-N 3.08Å; A332-A335 PolarHBondContact O-N 3.13Å; A335-V337 VanDerWaalsContact C-N 3.25Å; A335-V337 PolarHBondContact O-N 3.33Å; A335-Y338 PolarHBondContact O-N 3.09Å; A335-Y339 WeakPolarHBondContact O-CD2 3.33Å; A335-Y339 PolarHBondContact O-N 2.87Å
336	K	96.3	Very high	95.6	Very high	44 Å²	44	42.9 Å²	42.9	19%	0.191	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-26.4	175.3	-73.9	166.3	-171.5	167.5	0	113	E262 A332 Q333 A334 Y338 N340 Y341 L348	E262-K336 PolarHBondContact O-NZ 3.38Å; A332-K336 VanDerWaalsContact O-CG 3.25Å; A332-K336 WeakPolarHBondContact O-CG 3.39Å; A332-K336 PolarHBondContact O-N 2.82Å; Q333-K336 PolarHBondContact O-N 2.84Å; A334-K336 VanDerWaalsContact C-N 3.3Å; A334-K336 PolarHBondContact O-N 2.74Å; K336-Y338 VanDerWaalsContact C-N 3.29Å; K336-Y338 PolarHBondContact O-N 3.22Å; K336-N340 CarbonylContact O-C 3.59Å; K336-N340 VanDerWaalsContact O-CA 3.22Å; K336-N340 WeakPolarHBondContact O-CA 3.31Å; K336-N340 PolarHBondContact O-N 2.55Å; K336-Y341 PolarHBondContact O-N 2.63Å; K336-L348 HydrophobicContact CG-CD1 4.17Å
337	V	96.5	Very high	95.6	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-38.9	170.3	-179.8	0	0	0	0	110.5	L304 P305 V311 V312 Y315 Q333 A334 A335 Y341	L304-V337 WeakPolarHBondContact CD2-O 3.4Å; P305-V337 HydrophobicContact CG-CG1 4.06Å; V311-V337 HydrophobicContact CB-CG1 4.44Å; V311-V337 HydrophobicContact CG1-CG1 4Å; V311-V337 HydrophobicContact CG1-CG2 4.09Å; V312-V337 HydrophobicContact CG1-CB 3.67Å; V312-V337 HydrophobicContact CG1-CG1 3.94Å; V312-V337 HydrophobicContact CG1-CG2 3.95Å; Y315-V337 HydrophobicContact CD2-CG2 4.37Å; Y315-V337 HydrophobicContact CE2-CG2 3.82Å; Q333-V337 PolarHBondContact O-N 3.01Å; A334-V337 WeakPolarHBondContact O-CB 3.46Å; A334-V337 PolarHBondContact O-N 2.87Å; A334-V337 VanDerWaalsContact O-N 3.1Å; A335-V337 VanDerWaalsContact C-N 3.25Å; A335-V337 PolarHBondContact O-N 3.33Å; V337-Y341 WeakPolarHBondContact O-CB 3.47Å
338	Y	95.2	Very high	95.4	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-76.4	-47.1	179.9	-173.8	-97.3	0	0	0	112.6	T285 N288 L289 L301 Q302 L304 A335 K336	T285-Y338 HydrophobicContact CG2-CD1 4.06Å; T285-Y338 HydrophobicContact CG2-CG 3.97Å; N288-Y338 HydrophobicContact CB-CE2 3.7Å; N288-Y338 VanDerWaalsContact CB-OH 3.31Å; N288-Y338 WeakPolarHBondContact CB-OH 3.33Å; N288-Y338 PolarHBondContact ND2-OH 3.47Å; L289-Y338 HydrophobicContact CD2-CD2 3.82Å; L289-Y338 HydrophobicContact CG-CD2 3.81Å; L289-Y338 HydrophobicContact CG-CG 4.44Å; L301-Y338 WeakPolarHBondContact CB-OH 3.5Å; Q302-Y338 HydrophobicContact CB-CE2 4.38Å; Q302-Y338 HydrophobicContact CG-CD1 4.15Å; Q302-Y338 HydrophobicContact CG-CE1 3.7Å; Q302-Y338 HydrophobicContact CG-CE2 4.17Å; L304-Y338 HydrophobicContact CD1-CD2 3.96Å; L304-Y338 HydrophobicContact CD1-CE2 4.02Å; L304-Y338 HydrophobicContact CD2-CD2 3.91Å; L304-Y338 HydrophobicContact CD2-CG 4.47Å; A335-Y338 PolarHBondContact O-N 3.09Å; K336-Y338 VanDerWaalsContact C-N 3.29Å; K336-Y338 PolarHBondContact O-N 3.22Å
339	Y	94.2	Very high	95	Very high	29 Å²	29	42.1 Å²	42.1	11%	0.114	24%	0.241	C	C	.	.	H	α-helix	trans	-94.8	-15.1	-171.6	-66.8	-77.2	0	0	0	115.1	W281 T285 A335	W281-Y339 HydrophobicContact CD2-CE2 4.49Å; W281-Y339 AromaticContact CE2-CE2 3.45Å; W281-Y339 VanDerWaalsContact CE2-CE2 3.45Å; W281-Y339 AromaticContact CE2-CZ 3.47Å; W281-Y339 VanDerWaalsContact CE2-CZ 3.47Å; W281-Y339 AromaticContact CH2-CD2 3.97Å; W281-Y339 HydrophobicContact CH2-CD2 3.97Å; W281-Y339 AromaticContact CH2-CE2 3.8Å; W281-Y339 HydrophobicContact CH2-CE2 3.8Å; W281-Y339 HydrophobicContact CZ2-CD1 4.44Å; W281-Y339 AromaticContact CZ2-CD2 3.38Å; W281-Y339 HydrophobicContact CZ2-CD2 3.38Å; W281-Y339 HydrophobicContact CZ2-CE1 4.19Å; W281-Y339 AromaticContact CZ2-CE2 3.05Å; W281-Y339 HydrophobicContact CZ2-CE2 3.05Å; W281-Y339 HydrophobicContact CZ2-CG 4.09Å; W281-Y339 AromaticContact CZ2-CZ 3.53Å; W281-Y339 AromaticContact NE1-CE1 3.72Å; W281-Y339 AromaticContact NE1-CE2 3.73Å; W281-Y339 AromaticContact NE1-CZ 3.19Å; W281-Y339 PolarHBondContact NE1-OH 3.49Å; T285-Y339 HydrophobicContact CG2-CE2 3.77Å; T285-Y339 VanDerWaalsContact OG1-CE2 3.28Å; T285-Y339 WeakPolarHBondContact OG1-CE2 3.21Å; T285-Y339 PolarHBondContact OG1-OH 2.84Å; T285-Y339 VanDerWaalsContact OG1-OH 3.05Å; A335-Y339 WeakPolarHBondContact O-CD2 3.33Å; A335-Y339 PolarHBondContact O-N 2.87Å
340	N	94.1	Very high	94.6	Very high	41 Å²	41	39.5 Å²	39.5	22%	0.219	23%	0.231	C	C	.	.	H	α-helix	trans	-145.2	33.8	-175.2	-160.9	18.5	0	0	0	113.6	K336 T342 G343 N344 A345 L348	K336-N340 CarbonylContact O-C 3.59Å; K336-N340 VanDerWaalsContact O-CA 3.22Å; K336-N340 WeakPolarHBondContact O-CA 3.31Å; K336-N340 PolarHBondContact O-N 2.55Å; N340-T342 PolarHBondContact O-N 3.31Å; N340-G343 PolarHBondContact O-N 3.04Å; N340-G343 WeakPolarHBondContact OD1-CA 3.24Å; N340-G343 PolarHBondContact OD1-N 2.81Å; N340-N344 PolarHBondContact OD1-N 2.88Å; N340-A345 HydrophobicContact CB-CB 4.04Å; N340-A345 PolarHBondContact ND2-O 3.08Å; N340-A345 WeakPolarHBondContact OD1-CB 3.36Å; N340-A345 PolarHBondContact OD1-N 3.44Å; N340-L348 HydrophobicContact CB-CD2 4.28Å
341	Y	92.9	Very high	93.8	Very high	100 Å²	100	44.3 Å²	44.3	39%	0.392	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.7	176.1	177.7	-122.6	0	0	0	112.9	P303 P305 K336 V337 G343	P303-Y341 WeakPolarHBondContact O-CB 3.41Å; P303-Y341 WeakPolarHBondContact O-CD1 3.49Å; P305-Y341 HydrophobicContact CB-CD2 4.38Å; P305-Y341 HydrophobicContact CB-CE1 4.41Å; P305-Y341 HydrophobicContact CB-CE2 3.63Å; P305-Y341 HydrophobicContact CG-CD2 4.07Å; P305-Y341 HydrophobicContact CG-CE2 3.8Å; K336-Y341 PolarHBondContact O-N 2.63Å; V337-Y341 WeakPolarHBondContact O-CB 3.47Å; Y341-G343 VanDerWaalsContact C-N 3.3Å; Y341-G343 PolarHBondContact O-N 2.67Å
342	T	91.3	Very high	92.6	Very high	77 Å²	77	50.3 Å²	50.3	47%	0.472	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.8	-179	65.8	0	0	0	0	114	P303 N340 N344	P303-T342 HydrophobicContact CB-CG2 3.98Å; P303-T342 HydrophobicContact CG-CG2 4.26Å; N340-T342 PolarHBondContact O-N 3.31Å; T342-N344 WeakPolarHBondContact CB-ND2 3.4Å; T342-N344 PolarHBondContact O-N 2.76Å; T342-N344 PolarHBondContact OG1-ND2 2.7Å; T342-N344 VanDerWaalsContact OG1-ND2 3.16Å
343	G	92.1	Very high	90.9	Very high	55 Å²	55	52.5 Å²	52.5	57%	0.567	31%	0.306	S	S	*	.	S	Bend	trans	74.7	5	-176.8	0	0	0	0	0	115.4	N340 Y341	N340-G343 PolarHBondContact O-N 3.04Å; N340-G343 WeakPolarHBondContact OD1-CA 3.24Å; N340-G343 PolarHBondContact OD1-N 2.81Å; Y341-G343 VanDerWaalsContact C-N 3.3Å; Y341-G343 PolarHBondContact O-N 2.67Å
344	N	90.9	Very high	89.3	Confident	128 Å²	128	52 Å²	52	68%	0.684	31%	0.31	S	S	*	.			trans	-91.9	-15.1	-174.2	-64.6	-48.3	0	0	0	114.4	N340 T342	N340-N344 PolarHBondContact OD1-N 2.88Å; T342-N344 WeakPolarHBondContact CB-ND2 3.4Å; T342-N344 PolarHBondContact O-N 2.76Å; T342-N344 PolarHBondContact OG1-ND2 2.7Å; T342-N344 VanDerWaalsContact OG1-ND2 3.16Å
345	A	91.5	Very high	87.9	Confident	32 Å²	32	53.2 Å²	53.2	26%	0.264	32%	0.318	S	S	.	.			trans	-75.4	124.3	-178.8	0	0	0	0	0	110.1	N340 C347	N340-A345 HydrophobicContact CB-CB 4.04Å; N340-A345 PolarHBondContact ND2-O 3.08Å; N340-A345 WeakPolarHBondContact OD1-CB 3.36Å; N340-A345 PolarHBondContact OD1-N 3.44Å; A345-C347 VanDerWaalsContact C-N 3.27Å; A345-C347 PolarHBondContact O-N 3.28Å
346	P	92.9	Very high	86.8	Confident	128 Å²	128	59.1 Å²	59.1	83%	0.831	36%	0.359	S	S	*	.	S	Bend	trans	-72.2	-23.5	179.6	29.7	-35.1	0	0	0	112.7
347	C	95.4	Very high	85.7	Confident	41 Å²	41	58.8 Å²	58.8	28%	0.277	36%	0.363	S	S	.	.	S	Bend	trans	-163.3	165.9	-179.9	57.1	0	0	0	0	110.1	S264 C266 A345	S264-C347 CarbonylContact O-C 3.17Å; S264-C347 WeakPolarHBondContact O-CA 3.5Å; S264-C347 WeakPolarHBondContact O-CB 3.31Å; C266-C347 WeakPolarHBondContact CA-SG 3.36Å; C266-C347 HydrophobicContact CB-CB 3.91Å; C266-C347 WeakPolarHBondContact CB-SG 3.32Å; C266-C347 WeakPolarHBondContact SG-CB 3.41Å; C266-C347 PolarHBondContact SG-O 2.99Å; C266-C347 CovalentContact SG-SG 2.03Å; C266-C347 PolarHBondContact SG-SG 3.27Å; A345-C347 VanDerWaalsContact C-N 3.27Å; A345-C347 PolarHBondContact O-N 3.28Å
348	L	94.6	Very high	84.8	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-95.6	119.2	176.9	-51	-167.5	0	0	0	110.5	F263 S264 L265 C266 W281 K336 N340	F263-L348 VanDerWaalsContact O-CD1 3.26Å; F263-L348 WeakPolarHBondContact O-CD1 3.38Å; F263-L348 VanDerWaalsContact O-CG 3.3Å; F263-L348 WeakPolarHBondContact O-CG 3.46Å; S264-L348 PolarHBondContact O-N 3.16Å; L265-L348 WeakPolarHBondContact CA-O 2.97Å; L265-L348 HydrophobicContact CD2-CB 4.14Å; C266-L348 PolarHBondContact N-O 3.18Å; C266-L348 VanDerWaalsContact SG-C 3.52Å; W281-L348 HydrophobicContact CH2-CB 4.35Å; W281-L348 HydrophobicContact CH2-CD1 3.95Å; W281-L348 HydrophobicContact CZ2-CB 4.24Å; W281-L348 HydrophobicContact CZ2-CD1 4.41Å; K336-L348 HydrophobicContact CG-CD1 4.17Å; N340-L348 HydrophobicContact CB-CD2 4.28Å
349	N	90.9	Very high	84.4	Confident	49 Å²	49	61.4 Å²	61.4	26%	0.262	38%	0.381	S	S	.	.			trans	-93.6	105.5	-179.3	-173.9	-2.1	0	0	0	110.8	C266 S351 Q352	C266-N349 HydrophobicContact CB-CB 4.47Å; N349-S351 PolarHBondContact O-N 2.57Å; N349-S351 WeakPolarHBondContact OD1-CB 3.49Å; N349-S351 PolarHBondContact OD1-N 3.14Å; N349-S351 VanDerWaalsContact OD1-N 3.07Å; N349-Q352 PolarHBondContact ND2-NE2 2.66Å; N349-Q352 PolarHBondContact O-N 3.37Å; N349-Q352 VanDerWaalsContact O-N 3.15Å
350	T	88.4	Confident	84.1	Confident	34 Å²	34	63.7 Å²	63.7	21%	0.209	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.7	-178.6	58.4	0	0	0	0	113.9	L265 F278 W281 Q352	L265-T350 HydrophobicContact CD1-CG2 4.35Å; L265-T350 HydrophobicContact CD2-CG2 3.85Å; F278-T350 HydrophobicContact CD2-CG2 4.25Å; W281-T350 HydrophobicContact CD2-CG2 3.86Å; W281-T350 HydrophobicContact CE3-CG2 4.07Å; W281-T350 HydrophobicContact CG-CG2 4.16Å; T350-Q352 VanDerWaalsContact C-N 3.32Å
351	S	82.2	Confident	84	Confident	103 Å²	103	65.9 Å²	65.9	72%	0.72	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.7	175.2	-52.2	0	0	0	0	113.2	N349	N349-S351 PolarHBondContact O-N 2.57Å; N349-S351 WeakPolarHBondContact OD1-CB 3.49Å; N349-S351 PolarHBondContact OD1-N 3.14Å; N349-S351 VanDerWaalsContact OD1-N 3.07Å
352	Q	73.6	Confident	84.1	Confident	127 Å²	127	61.1 Å²	61.1	59%	0.593	40%	0.399	S	S	*	.			trans	-112.7	114.6	176	-70.7	-179.2	9.7	0	0	109.3	N349 T350	N349-Q352 PolarHBondContact ND2-NE2 2.66Å; N349-Q352 PolarHBondContact O-N 3.37Å; N349-Q352 VanDerWaalsContact O-N 3.15Å; T350-Q352 VanDerWaalsContact C-N 3.32Å
353	T	62.2	Low	84.4	Confident	46 Å²	46	60.5 Å²	60.5	28%	0.282	39%	0.388	S	S	.	.			trans	-114.9	-26.8	-173	71.8	0	0	0	0	113.3	E284 N288	E284-T353 WeakPolarHBondContact OE1-CB 3.41Å; E284-T353 PolarHBondContact OE1-OG1 3.37Å; E284-T353 WeakPolarHBondContact OE2-CB 3.34Å; E284-T353 VanDerWaalsContact OE2-CG2 3.22Å; E284-T353 WeakPolarHBondContact OE2-CG2 3.32Å; E284-T353 PolarHBondContact OE2-OG1 3.49Å; N288-T353 PolarHBondContact ND2-O 2.88Å; N288-T353 VanDerWaalsContact ND2-O 3.14Å
354	A	65.6	Low	84.5	Confident	42 Å²	42	60 Å²	60	35%	0.347	37%	0.37	S	S	.	.	S	Bend	trans	-130	171.5	175.5	0	0	0	0	0	112.2
355	T	67.3	Low	84.9	Confident	25 Å²	25	54.3 Å²	54.3	15%	0.153	34%	0.34	C	S	.	.			trans	-65.1	143	173.8	179.9	0	0	0	0	111.5	L301 S357 L358	L301-T355 HydrophobicContact CD2-CG2 4.35Å; T355-S357 PolarHBondContact O-N 2.93Å; T355-S357 VanDerWaalsContact O-N 3.12Å; T355-S357 PolarHBondContact OG1-N 3.01Å; T355-L358 HydrophobicContact CG2-CD1 4.07Å; T355-L358 HydrophobicContact CG2-CG 3.82Å; T355-L358 PolarHBondContact O-N 3Å; T355-L358 VanDerWaalsContact O-N 3.11Å
356	S	74.6	Confident	85.2	Confident	124 Å²	124	52.9 Å²	52.9	87%	0.867	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-10.3	178.4	61.4	0	0	0	0	113.8	L358	S356-L358 PolarHBondContact O-N 3.36Å
357	S	73.4	Confident	85.4	Confident	38 Å²	38	47.4 Å²	47.4	27%	0.266	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.5	172.4	-60.8	0	0	0	0	113.3	G96 D97 T355	G96-S357 CarbonylContact C-O 3.45Å; G96-S357 WeakPolarHBondContact CA-O 3.49Å; D97-S357 PolarHBondContact N-O 2.87Å; T355-S357 PolarHBondContact O-N 2.93Å; T355-S357 VanDerWaalsContact O-N 3.12Å; T355-S357 PolarHBondContact OG1-N 3.01Å
358	L	78.1	Confident	85.6	Confident	43 Å²	43	45.5 Å²	45.5	23%	0.225	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-95.7	140.8	174	-61.5	178.1	0	0	0	111.1	E95 F101 L301 T355 S356 A360	E95-L358 WeakPolarHBondContact O-CA 3.4Å; F101-L358 HydrophobicContact CE1-CD2 4.44Å; F101-L358 HydrophobicContact CZ-CD2 4.05Å; L301-L358 HydrophobicContact CD2-CD1 4.17Å; T355-L358 HydrophobicContact CG2-CD1 4.07Å; T355-L358 HydrophobicContact CG2-CG 3.82Å; T355-L358 PolarHBondContact O-N 3Å; T355-L358 VanDerWaalsContact O-N 3.11Å; S356-L358 PolarHBondContact O-N 3.36Å; L358-A360 PolarHBondContact O-N 3.25Å
359	G	86.6	Confident	85.8	Confident	23 Å²	23	46.1 Å²	46.1	24%	0.237	28%	0.284	C	S	.	.			trans	-91.1	79.1	-176.4	0	0	0	0	0	113.1	E95 Y127 L361 G362 W363	E95-G359 PolarHBondContact O-N 3.46Å; Y127-G359 WeakPolarHBondContact CE1-O 3.48Å; G359-L361 VanDerWaalsContact C-N 3.34Å; G359-L361 PolarHBondContact O-N 2.96Å; G359-G362 PolarHBondContact O-N 3.41Å; G359-W363 PolarHBondContact O-N 2.76Å
360	A	87.6	Confident	86.1	Confident	78 Å²	78	43.9 Å²	43.9	65%	0.645	27%	0.272	S	S	*	.	H	α-helix	trans	-54.8	-42.5	-173.9	0	0	0	0	0	114.3	L358 W363 F364	L358-A360 PolarHBondContact O-N 3.25Å; A360-W363 PolarHBondContact O-N 3.39Å; A360-F364 WeakPolarHBondContact O-CB 3.46Å; A360-F364 PolarHBondContact O-N 3.47Å
361	L	91.8	Very high	86.5	Confident	86 Å²	86	42.3 Å²	42.3	45%	0.45	26%	0.262	S	S	.	.	H	α-helix	trans	-68	-40.4	-178.4	-174.2	62.3	0	0	0	112.4	Y138 G359 F364 F365 F402	Y138-L361 HydrophobicContact CD1-CB 4.25Å; Y138-L361 HydrophobicContact CD1-CD2 3.55Å; Y138-L361 HydrophobicContact CD1-CG 3.75Å; Y138-L361 HydrophobicContact CE1-CB 4.24Å; Y138-L361 HydrophobicContact CE1-CD2 4.34Å; Y138-L361 HydrophobicContact CE1-CG 4.16Å; Y138-L361 HydrophobicContact CG-CD2 3.92Å; G359-L361 VanDerWaalsContact C-N 3.34Å; G359-L361 PolarHBondContact O-N 2.96Å; L361-F364 PolarHBondContact O-N 3.23Å; L361-F365 PolarHBondContact O-N 3.3Å; L361-F402 HydrophobicContact CD1-CE1 3.85Å; L361-F402 HydrophobicContact CD1-CZ 3.8Å
362	G	95.6	Very high	87.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-44.7	175.6	0	0	0	0	0	111.6	G359 F364 F365 Q366	G359-G362 PolarHBondContact O-N 3.41Å; G362-F364 VanDerWaalsContact C-N 3.33Å; G362-F364 PolarHBondContact O-N 3.24Å; G362-F365 PolarHBondContact O-N 3.32Å; G362-Q366 WeakPolarHBondContact O-CG 3.38Å; G362-Q366 PolarHBondContact O-N 2.85Å
363	W	96.9	Very high	88.4	Confident	64 Å²	64	32.6 Å²	32.6	24%	0.242	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-42	177.3	-177.2	-116.2	0	0	0	111.9	E95 Y127 Y182 G359 A360 F365 Q366 A367 M371 M373	E95-W363 HydrophobicContact CB-CB 4.31Å; E95-W363 HydrophobicContact CB-CD2 4.3Å; E95-W363 HydrophobicContact CB-CE3 3.83Å; E95-W363 HydrophobicContact CG-CD2 4.18Å; E95-W363 HydrophobicContact CG-CE3 4.04Å; E95-W363 HydrophobicContact CG-CG 4.42Å; Y127-W363 WeakPolarHBondContact OH-CA 3.47Å; Y127-W363 PolarHBondContact OH-N 3.41Å; Y182-W363 HydrophobicContact CD1-CE3 4.44Å; Y182-W363 AromaticContact CD1-CZ3 3.73Å; Y182-W363 HydrophobicContact CD1-CZ3 3.73Å; Y182-W363 HydrophobicContact CD2-CH2 4.47Å; Y182-W363 HydrophobicContact CD2-CZ3 4.16Å; Y182-W363 HydrophobicContact CE1-CZ3 4.31Å; Y182-W363 HydrophobicContact CG-CH2 4.1Å; Y182-W363 AromaticContact CG-CZ3 3.67Å; Y182-W363 HydrophobicContact CG-CZ3 3.67Å; G359-W363 PolarHBondContact O-N 2.76Å; A360-W363 PolarHBondContact O-N 3.39Å; W363-F365 PolarHBondContact O-N 3.05Å; W363-Q366 HydrophobicContact CE3-CB 4.49Å; W363-Q366 WeakPolarHBondContact O-CB 3.17Å; W363-Q366 PolarHBondContact O-N 2.89Å; W363-Q366 VanDerWaalsContact O-N 3.17Å; W363-A367 PolarHBondContact O-N 3.2Å; W363-M371 HydrophobicContact CH2-CB 4.4Å; W363-M371 HydrophobicContact CH2-CG 4.28Å; W363-M371 HydrophobicContact CZ3-CG 4.22Å; W363-M373 HydrophobicContact CH2-CE 4.1Å; W363-M373 HydrophobicContact CZ2-CE 3.48Å; W363-M373 VanDerWaalsContact CZ2-CE 3.48Å
364	F	95.4	Very high	90	Very high	46 Å²	46	31.1 Å²	31.1	20%	0.202	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-39.6	177.4	-172.7	-140.7	0	0	0	112.3	A360 L361 G362 Q366 A367 C368 E397 V401 F402	A360-F364 WeakPolarHBondContact O-CB 3.46Å; A360-F364 PolarHBondContact O-N 3.47Å; L361-F364 PolarHBondContact O-N 3.23Å; G362-F364 VanDerWaalsContact C-N 3.33Å; G362-F364 PolarHBondContact O-N 3.24Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 2.86Å; F364-A367 PolarHBondContact O-N 3.23Å; F364-C368 WeakPolarHBondContact O-CB 3.48Å; F364-C368 PolarHBondContact O-N 3.48Å; F364-E397 HydrophobicContact CZ-CG 4.26Å; F364-V401 HydrophobicContact CD1-CG1 4.45Å; F364-V401 HydrophobicContact CE1-CB 4.3Å; F364-V401 HydrophobicContact CE1-CG1 3.98Å; F364-V401 HydrophobicContact CE1-CG2 4.12Å; F364-F402 HydrophobicContact CB-CE2 4.46Å; F364-F402 HydrophobicContact CB-CZ 4.45Å; F364-F402 AromaticContact CD1-CE2 3.48Å; F364-F402 HydrophobicContact CD1-CE2 3.48Å; F364-F402 VanDerWaalsContact CD1-CE2 3.48Å; F364-F402 AromaticContact CD1-CZ 3.74Å; F364-F402 HydrophobicContact CD1-CZ 3.74Å; F364-F402 AromaticContact CE1-CE2 3.88Å; F364-F402 HydrophobicContact CE1-CE2 3.88Å; F364-F402 HydrophobicContact CE1-CZ 4.42Å; F364-F402 HydrophobicContact CG-CE2 4Å; F364-F402 HydrophobicContact CG-CZ 4.35Å
365	F	97.9	Very high	91.5	Very high	8 Å²	8	31 Å²	31	4%	0.035	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-42.3	172.2	-178.4	-96.2	0	0	0	112.1	V141 L144 L147 L361 G362 W363 C368 T369 F402 V404	V141-F365 HydrophobicContact CG2-CE2 4.47Å; L144-F365 HydrophobicContact CB-CD1 4.2Å; L144-F365 HydrophobicContact CB-CD2 4.03Å; L144-F365 HydrophobicContact CB-CE1 3.89Å; L144-F365 HydrophobicContact CB-CE2 3.7Å; L144-F365 HydrophobicContact CB-CG 4.25Å; L144-F365 HydrophobicContact CB-CZ 3.62Å; L144-F365 HydrophobicContact CD1-CD2 3.74Å; L144-F365 HydrophobicContact CD1-CE2 4.1Å; L144-F365 HydrophobicContact CD1-CG 4.14Å; L144-F365 HydrophobicContact CD2-CD1 4.4Å; L144-F365 HydrophobicContact CD2-CG 4.28Å; L144-F365 HydrophobicContact CG-CD2 4.36Å; L144-F365 HydrophobicContact CG-CE2 4.48Å; L144-F365 HydrophobicContact CG-CG 4.47Å; L144-F365 WeakPolarHBondContact O-CE1 3.37Å; L147-F365 HydrophobicContact CB-CD1 4Å; L147-F365 HydrophobicContact CB-CE1 4.1Å; L147-F365 HydrophobicContact CD2-CB 4.43Å; L147-F365 HydrophobicContact CD2-CD1 3.93Å; L147-F365 HydrophobicContact CG-CD1 4.06Å; L361-F365 PolarHBondContact O-N 3.3Å; G362-F365 PolarHBondContact O-N 3.32Å; W363-F365 PolarHBondContact O-N 3.05Å; F365-C368 CarbonylContact O-C 3.5Å; F365-C368 PolarHBondContact O-N 2.99Å; F365-T369 HydrophobicContact CE1-CG2 4.03Å; F365-T369 HydrophobicContact CE2-CG2 4.2Å; F365-T369 HydrophobicContact CZ-CG2 3.87Å; F365-T369 WeakPolarHBondContact O-CG2 3.48Å; F365-T369 PolarHBondContact O-N 3.26Å; F365-T369 PolarHBondContact O-OG1 3.21Å; F365-F402 HydrophobicContact CB-CE1 4.18Å; F365-F402 HydrophobicContact CB-CE2 4.18Å; F365-F402 HydrophobicContact CB-CZ 3.91Å; F365-F402 HydrophobicContact CD2-CB 4.16Å; F365-F402 AromaticContact CD2-CD1 3.79Å; F365-F402 HydrophobicContact CD2-CD1 3.79Å; F365-F402 HydrophobicContact CD2-CD2 4.11Å; F365-F402 HydrophobicContact CD2-CE1 4.13Å; F365-F402 HydrophobicContact CD2-CE2 4.43Å; F365-F402 AromaticContact CD2-CG 3.77Å; F365-F402 HydrophobicContact CD2-CG 3.77Å; F365-F402 HydrophobicContact CD2-CZ 4.43Å; F365-F402 HydrophobicContact CE2-CB 4.33Å; F365-F402 HydrophobicContact CE2-CG 4.42Å; F365-V404 HydrophobicContact CE2-CG1 4.16Å; F365-V404 HydrophobicContact CE2-CG2 4.32Å
366	Q	98.4	Very high	92.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-41.5	175.5	-70.2	-169	-101.8	0	0	112	Y127 L147 Y182 G362 W363 F364 C368 T369 E370 M371	Y127-Q366 PolarHBondContact OH-OE1 2.83Å; L147-Q366 HydrophobicContact CD1-CG 3.99Å; L147-Q366 HydrophobicContact CD2-CG 4.16Å; L147-Q366 HydrophobicContact CG-CG 3.76Å; Y182-Q366 PolarHBondContact OH-NE2 3.15Å; G362-Q366 WeakPolarHBondContact O-CG 3.38Å; G362-Q366 PolarHBondContact O-N 2.85Å; W363-Q366 HydrophobicContact CE3-CB 4.49Å; W363-Q366 WeakPolarHBondContact O-CB 3.17Å; W363-Q366 PolarHBondContact O-N 2.89Å; W363-Q366 VanDerWaalsContact O-N 3.17Å; F364-Q366 VanDerWaalsContact C-N 3.34Å; F364-Q366 PolarHBondContact O-N 2.86Å; Q366-C368 VanDerWaalsContact C-N 3.31Å; Q366-C368 PolarHBondContact O-N 2.97Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.02Å; Q366-T369 PolarHBondContact O-N 2.63Å; Q366-T369 PolarHBondContact O-OG1 3.39Å; Q366-E370 PolarHBondContact O-N 2.86Å; Q366-M371 HydrophobicContact CB-CG 4.11Å; Q366-M371 PolarHBondContact O-N 3.48Å
367	A	97.6	Very high	94	Very high	14 Å²	14	25.3 Å²	25.3	12%	0.116	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-38.2	174	0	0	0	0	0	112.1	W363 F364 T369 M371 F394	W363-A367 PolarHBondContact O-N 3.2Å; F364-A367 PolarHBondContact O-N 3.23Å; A367-T369 PolarHBondContact O-N 2.79Å; A367-M371 WeakPolarHBondContact CA-O 3.33Å; A367-F394 HydrophobicContact CB-CZ 4.35Å; A367-F394 WeakPolarHBondContact O-CZ 3.48Å
368	C	98.4	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-2.2	176.4	-83.1	0	0	0	0	115.2	F364 F365 Q366 C398 F402 V404 P406	F364-C368 WeakPolarHBondContact O-CB 3.48Å; F364-C368 PolarHBondContact O-N 3.48Å; F365-C368 CarbonylContact O-C 3.5Å; F365-C368 PolarHBondContact O-N 2.99Å; Q366-C368 VanDerWaalsContact C-N 3.31Å; Q366-C368 PolarHBondContact O-N 2.97Å; C368-C398 WeakPolarHBondContact CA-SG 3.06Å; C368-C398 HydrophobicContact CB-CB 3.55Å; C368-C398 WeakPolarHBondContact CB-SG 3.37Å; C368-C398 WeakPolarHBondContact SG-CA 3.2Å; C368-C398 WeakPolarHBondContact SG-CB 3.36Å; C368-C398 CovalentContact SG-SG 2.04Å; C368-C398 PolarHBondContact SG-SG 3.33Å; C368-F402 HydrophobicContact CB-CD2 4.01Å; C368-F402 HydrophobicContact CB-CE2 4.31Å; C368-V404 HydrophobicContact CB-CG2 4.23Å; C368-P406 WeakPolarHBondContact O-CA 3.28Å
369	T	98.4	Very high	96.1	Very high	17 Å²	17	25.2 Å²	25.2	10%	0.104	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-60.5	-177.2	49.7	0	0	0	0	112.5	F365 Q366 A367 V404 R407	F365-T369 HydrophobicContact CE1-CG2 4.03Å; F365-T369 HydrophobicContact CE2-CG2 4.2Å; F365-T369 HydrophobicContact CZ-CG2 3.87Å; F365-T369 WeakPolarHBondContact O-CG2 3.48Å; F365-T369 PolarHBondContact O-N 3.26Å; F365-T369 PolarHBondContact O-OG1 3.21Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.02Å; Q366-T369 PolarHBondContact O-N 2.63Å; Q366-T369 PolarHBondContact O-OG1 3.39Å; A367-T369 PolarHBondContact O-N 2.79Å; T369-V404 HydrophobicContact CG2-CB 4.37Å; T369-V404 HydrophobicContact CG2-CG2 3.87Å; T369-R407 PolarHBondContact O-N 3.27Å
370	E	97.9	Very high	96.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.009	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-37.1	-171	-56.2	-170.4	149.8	0	0	113.8	T148 S149 Q366 V372 R407 W410	T148-E370 WeakPolarHBondContact CB-OE2 3.49Å; S149-E370 PolarHBondContact N-OE2 3.28Å; S149-E370 PolarHBondContact OG-OE2 2.98Å; Q366-E370 PolarHBondContact O-N 2.86Å; E370-V372 PolarHBondContact O-N 3.45Å; E370-R407 IonicContact OE1-NH2 3.34Å; E370-R407 PolarHBondContact OE1-NH2 3.31Å; E370-W410 PolarHBondContact OE1-NE1 3.43Å
371	M	97.9	Very high	97	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.164	C	C	.	.			trans	-87.2	51.8	-176.8	-55.5	-57.6	143.8	0	0	111.4	S149 Y182 M185 W189 F211 W363 Q366 A367 M373	S149-M371 WeakPolarHBondContact OG-CE 3.35Å; Y182-M371 HydrophobicContact CD2-SD 4.47Å; Y182-M371 HydrophobicContact CE2-CE 3.95Å; Y182-M371 HydrophobicContact CE2-SD 4.25Å; M185-M371 HydrophobicContact CE-SD 3.88Å; W189-M371 HydrophobicContact CH2-CE 3.94Å; W189-M371 HydrophobicContact CH2-SD 3.98Å; W189-M371 HydrophobicContact CZ3-CE 3.84Å; W189-M371 HydrophobicContact CZ3-SD 4.35Å; F211-M371 HydrophobicContact CZ-SD 4.14Å; W363-M371 HydrophobicContact CH2-CB 4.4Å; W363-M371 HydrophobicContact CH2-CG 4.28Å; W363-M371 HydrophobicContact CZ3-CG 4.22Å; Q366-M371 HydrophobicContact CB-CG 4.11Å; Q366-M371 PolarHBondContact O-N 3.48Å; A367-M371 WeakPolarHBondContact CA-O 3.33Å; M371-M373 HydrophobicContact CB-CE 4.37Å; M371-M373 PolarHBondContact O-N 3.47Å; M371-M373 VanDerWaalsContact O-N 3.17Å
372	V	97.6	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.			trans	-79.7	99.3	-178.6	-173.1	0	0	0	0	108.6	F211 P212 E370 P374 W389 F391 F394 P406 A408	F211-V372 WeakPolarHBondContact CD1-O 3.46Å; P212-V372 WeakPolarHBondContact CD-O 3.45Å; E370-V372 PolarHBondContact O-N 3.45Å; V372-P374 WeakPolarHBondContact O-CD 3.24Å; V372-W389 HydrophobicContact CG1-CZ2 4.21Å; V372-F391 HydrophobicContact CG1-CD2 4.31Å; V372-F391 HydrophobicContact CG1-CE2 4.14Å; V372-F394 HydrophobicContact CG1-CD1 4.35Å; V372-F394 HydrophobicContact CG1-CE1 4.05Å; V372-F394 HydrophobicContact CG2-CE1 4.45Å; V372-P406 HydrophobicContact CG2-CB 3.47Å; V372-P406 VanDerWaalsContact CG2-CB 3.47Å; V372-A408 HydrophobicContact CB-CB 4.39Å; V372-A408 HydrophobicContact CG1-CB 4.05Å
373	M	97.1	Very high	97.5	Very high	27 Å²	27	26.7 Å²	26.7	13%	0.133	14%	0.143	C	C	.	.			trans	-115.2	99.8	-171.1	-61.9	-175	-77.9	0	0	110.8	Q210 W363 M371 M375 W436	Q210-M373 HydrophobicContact CB-CG 4.46Å; Q210-M373 HydrophobicContact CB-SD 4.38Å; Q210-M373 HydrophobicContact CG-CB 3.95Å; Q210-M373 HydrophobicContact CG-CG 4.3Å; Q210-M373 HydrophobicContact CG-SD 4.35Å; Q210-M373 WeakPolarHBondContact O-CA 3.43Å; Q210-M373 WeakPolarHBondContact O-CB 3.4Å; Q210-M373 WeakPolarHBondContact O-CG 3.45Å; W363-M373 HydrophobicContact CH2-CE 4.1Å; W363-M373 HydrophobicContact CZ2-CE 3.48Å; W363-M373 VanDerWaalsContact CZ2-CE 3.48Å; M371-M373 HydrophobicContact CB-CE 4.37Å; M371-M373 PolarHBondContact O-N 3.47Å; M371-M373 VanDerWaalsContact O-N 3.17Å; M373-M375 PolarHBondContact O-N 3.44Å; M373-W436 HydrophobicContact CE-CH2 4.32Å; M373-W436 HydrophobicContact SD-CH2 4.34Å; M373-W436 HydrophobicContact SD-CZ3 4Å
374	P	96.5	Very high	97.6	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.091	13%	0.133	C	C	.	.			trans	-61.9	129.5	179.9	-24.9	35.9	0	0	0	111.9	Q210 P212 C217 V372 W389	Q210-P374 PolarHBondContact NE2-O 2.92Å; P212-P374 HydrophobicContact CB-CG 4.35Å; P212-P374 HydrophobicContact CG-CG 3.87Å; C217-P374 HydrophobicContact CB-CB 4.21Å; V372-P374 WeakPolarHBondContact O-CD 3.24Å; P374-W389 HydrophobicContact CB-CD2 4.01Å; P374-W389 HydrophobicContact CB-CG 3.94Å; P374-W389 HydrophobicContact CG-CZ2 4.4Å
375	M	95.7	Very high	97.7	Very high	41 Å²	41	24.6 Å²	24.6	20%	0.202	14%	0.137	C	C	.	.			trans	-139.6	141.9	173.7	-66	-173	171.7	0	0	109.5	Q210 C217 F220 Y221 M373 W436	Q210-M375 HydrophobicContact CG-CE 4.26Å; C217-M375 WeakPolarHBondContact O-CA 3.46Å; F220-M375 HydrophobicContact CB-CE 4.42Å; F220-M375 HydrophobicContact CD1-CE 4.39Å; F220-M375 HydrophobicContact CD1-SD 4.22Å; F220-M375 HydrophobicContact CD2-CE 3.8Å; F220-M375 HydrophobicContact CE2-CE 4.14Å; F220-M375 HydrophobicContact CG-CE 3.95Å; F220-M375 HydrophobicContact CG-SD 4.27Å; Y221-M375 HydrophobicContact CE2-CB 4.15Å; M373-M375 PolarHBondContact O-N 3.44Å; M375-W436 HydrophobicContact CE-CE3 4.1Å; M375-W436 HydrophobicContact CE-CH2 3.27Å; M375-W436 HydrophobicContact CE-CZ2 4.1Å; M375-W436 HydrophobicContact CE-CZ3 3.26Å
376	C	97.3	Very high	97.7	Very high	22 Å²	22	28.9 Å²	28.9	15%	0.149	17%	0.166	C	C	.	.			trans	-149.5	160.3	-179.5	65.8	0	0	0	0	110.7	C217 G218 Y221 E387 W389	C217-C376 HydrophobicContact CB-CB 3.85Å; C217-C376 WeakPolarHBondContact CB-SG 3.05Å; C217-C376 PolarHBondContact O-N 3.12Å; C217-C376 WeakPolarHBondContact SG-CB 3.44Å; C217-C376 CovalentContact SG-SG 2.04Å; C217-C376 PolarHBondContact SG-SG 3.46Å; G218-C376 WeakPolarHBondContact CA-O 3.5Å; G218-C376 PolarHBondContact N-SG 3.17Å; Y221-C376 WeakPolarHBondContact CD2-O 3.45Å; C376-E387 VanDerWaalsContact CA-O 3.32Å; C376-E387 WeakPolarHBondContact CA-O 3.38Å; C376-E387 VanDerWaalsContact CB-O 3.32Å; C376-E387 WeakPolarHBondContact CB-O 3.49Å; C376-W389 HydrophobicContact CB-CB 4.21Å
377	T	98.4	Very high	97.5	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.037	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-126	142	172.2	48.9	0	0	0	0	109.1	Y221 D382 F384 E385 P386 E387	Y221-T377 HydrophobicContact CD1-CG2 3.89Å; Y221-T377 HydrophobicContact CD2-CG2 3.47Å; Y221-T377 VanDerWaalsContact CD2-CG2 3.47Å; Y221-T377 HydrophobicContact CE1-CG2 4.24Å; Y221-T377 HydrophobicContact CE2-CG2 3.87Å; Y221-T377 HydrophobicContact CG-CG2 3.46Å; Y221-T377 VanDerWaalsContact CG-CG2 3.46Å; T377-D382 VanDerWaalsContact CA-OD2 3.27Å; T377-D382 WeakPolarHBondContact CA-OD2 3.31Å; T377-F384 HydrophobicContact CG2-CB 3.74Å; T377-F384 HydrophobicContact CG2-CD2 4.09Å; T377-F384 HydrophobicContact CG2-CG 4.14Å; T377-E385 WeakPolarHBondContact CB-O 3.32Å; T377-E385 PolarHBondContact OG1-O 3.24Å; T377-P386 CarbonylContact O-C 3.08Å; T377-P386 VanDerWaalsContact O-CA 3.31Å; T377-P386 WeakPolarHBondContact O-CA 3.24Å; T377-E387 PolarHBondContact N-O 2.76Å; T377-E387 PolarHBondContact O-N 2.98Å; T377-E387 VanDerWaalsContact OG1-CB 3.31Å; T377-E387 WeakPolarHBondContact OG1-CB 3.46Å; T377-E387 PolarHBondContact OG1-N 3.48Å
378	D	97.6	Very high	97.4	Very high	61 Å²	61	42.5 Å²	42.5	33%	0.326	23%	0.227	S	C	.	.			trans	-112.3	-10.7	-179.9	71.1	14.1	0	0	0	113.1	V380 Q381 D382	D378-V380 PolarHBondContact O-N 3.26Å; D378-V380 VanDerWaalsContact O-N 3.14Å; D378-V380 WeakPolarHBondContact OD1-CA 3.19Å; D378-V380 PolarHBondContact OD1-N 3.24Å; D378-Q381 PolarHBondContact OD1-N 2.9Å; D378-Q381 PolarHBondContact OD2-NE2 3.49Å; D378-D382 PolarHBondContact N-OD2 3.07Å
379	G	97.3	Very high	97.3	Very high	18 Å²	18	46.4 Å²	46.4	19%	0.186	24%	0.242	C	C	.	.	S	Bend	trans	64.8	8	-176.6	0	0	0	0	0	115	R240 D382 F384	R240-G379 PolarHBondContact NH1-O 3.32Å; G379-D382 CarbonylContact C-O 3.55Å; G379-D382 PolarHBondContact N-OD1 3.43Å; G379-D382 PolarHBondContact N-OD2 3.05Å; G379-F384 WeakPolarHBondContact CA-O 3.32Å
380	V	96.9	Very high	97.2	Very high	109 Å²	109	48.3 Å²	48.3	66%	0.661	26%	0.256	S	S	*	.	S	Bend	trans	-110.3	-59.5	179	179.1	0	0	0	0	109.8	R240 D378	R240-V380 PolarHBondContact NH1-O 2.83Å; R240-V380 PolarHBondContact NH2-O 2.91Å; D378-V380 PolarHBondContact O-N 3.26Å; D378-V380 VanDerWaalsContact O-N 3.14Å; D378-V380 WeakPolarHBondContact OD1-CA 3.19Å; D378-V380 PolarHBondContact OD1-N 3.24Å
381	Q	96.8	Very high	97.1	Very high	107 Å²	107	52.1 Å²	52.1	50%	0.5	27%	0.273	S	S	.	.	S	Bend	trans	-84.7	-15.9	177.8	-66.6	-177.1	88.7	0	0	113.1	K222 D378	K222-Q381 VanDerWaalsContact NZ-OE1 3.15Å; D378-Q381 PolarHBondContact OD1-N 2.9Å; D378-Q381 PolarHBondContact OD2-NE2 3.49Å
382	D	98.6	Very high	97.1	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.011	30%	0.297	C	S	.	.	S	Bend	trans	-124.4	162.9	176.5	67.1	72.7	0	0	0	112.3	T225 R240 T377 D378 G379 F384	T225-D382 WeakPolarHBondContact OG1-CA 3.4Å; T225-D382 WeakPolarHBondContact OG1-CB 3.4Å; R240-D382 VanDerWaalsContact CZ-O 3.26Å; R240-D382 PolarHBondContact NE-O 3.26Å; R240-D382 PolarHBondContact NH2-O 2.99Å; T377-D382 VanDerWaalsContact CA-OD2 3.27Å; T377-D382 WeakPolarHBondContact CA-OD2 3.31Å; D378-D382 PolarHBondContact N-OD2 3.07Å; G379-D382 CarbonylContact C-O 3.55Å; G379-D382 PolarHBondContact N-OD1 3.43Å; G379-D382 PolarHBondContact N-OD2 3.05Å; D382-F384 VanDerWaalsContact C-N 3.29Å; D382-F384 HydrophobicContact CB-CD2 4.07Å; D382-F384 PolarHBondContact O-N 3.3Å; D382-F384 WeakPolarHBondContact OD1-CB 3.31Å; D382-F384 PolarHBondContact OD1-N 3.45Å
383	M	98.4	Very high	97.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-84.7	9.1	-177.1	67	-177.1	-177.6	0	0	114.4	V224 T225 F228 D236 I239 R240 W243 W286	V224-M383 HydrophobicContact CG1-CE 4.15Å; T225-M383 HydrophobicContact CG2-CB 3.86Å; T225-M383 HydrophobicContact CG2-CG 4.18Å; T225-M383 PolarHBondContact OG1-N 2.79Å; F228-M383 HydrophobicContact CB-CE 4.29Å; F228-M383 HydrophobicContact CB-SD 4.08Å; F228-M383 HydrophobicContact CD1-CE 4.32Å; F228-M383 HydrophobicContact CD2-CE 3.67Å; F228-M383 HydrophobicContact CE2-CE 4.02Å; F228-M383 HydrophobicContact CG-CE 3.83Å; F228-M383 HydrophobicContact CG-SD 4.23Å; F228-M383 HydrophobicContact CZ-CE 4.49Å; D236-M383 HydrophobicContact CB-CB 4.45Å; D236-M383 HydrophobicContact CB-SD 4.08Å; I239-M383 HydrophobicContact CB-CG 4.47Å; I239-M383 HydrophobicContact CB-SD 3.76Å; I239-M383 HydrophobicContact CD1-CE 3.8Å; I239-M383 HydrophobicContact CD1-SD 3.66Å; I239-M383 HydrophobicContact CG1-SD 4.3Å; I239-M383 HydrophobicContact CG2-CB 4.49Å; I239-M383 HydrophobicContact CG2-CE 3.99Å; I239-M383 HydrophobicContact CG2-CG 3.97Å; I239-M383 HydrophobicContact CG2-SD 3.64Å; R240-M383 VanDerWaalsContact CA-O 3.26Å; R240-M383 WeakPolarHBondContact CA-O 3.48Å; R240-M383 HydrophobicContact CB-CB 4.18Å; W243-M383 PolarHBondContact NE1-O 3.1Å; W286-M383 HydrophobicContact CB-CE 3.85Å; W286-M383 HydrophobicContact CG-CE 4.17Å
384	F	98.6	Very high	97.1	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.013	32%	0.32	C	S	.	.	S	Bend	trans	-101	174.1	-172.5	-57	-85.2	0	0	0	112.4	Y221 V224 W243 Q283 W286 T377 G379 D382	Y221-F384 AromaticContact CD1-CD2 3.65Å; Y221-F384 HydrophobicContact CD1-CD2 3.65Å; Y221-F384 AromaticContact CD1-CE2 3.45Å; Y221-F384 HydrophobicContact CD1-CE2 3.45Å; Y221-F384 VanDerWaalsContact CD1-CE2 3.45Å; Y221-F384 HydrophobicContact CD1-CG 4.33Å; Y221-F384 AromaticContact CD1-CZ 3.95Å; Y221-F384 HydrophobicContact CD1-CZ 3.95Å; Y221-F384 HydrophobicContact CE1-CD2 4.4Å; Y221-F384 HydrophobicContact CE1-CE2 4.25Å; Y221-F384 HydrophobicContact CE1-CZ 4.37Å; Y221-F384 HydrophobicContact CG-CD2 4.23Å; Y221-F384 HydrophobicContact CG-CE2 4.29Å; V224-F384 HydrophobicContact CB-CE2 4.41Å; V224-F384 HydrophobicContact CG1-CE2 4.18Å; V224-F384 HydrophobicContact CG1-CZ 3.88Å; W243-F384 AromaticContact CZ2-CD1 3.76Å; W243-F384 HydrophobicContact CZ2-CD1 3.76Å; W243-F384 HydrophobicContact CZ2-CE1 4.19Å; Q283-F384 HydrophobicContact CB-CD1 4.07Å; Q283-F384 HydrophobicContact CB-CE1 4.14Å; Q283-F384 HydrophobicContact CG-CD1 3.6Å; Q283-F384 HydrophobicContact CG-CE1 3.69Å; Q283-F384 HydrophobicContact CG-CG 4.49Å; W286-F384 HydrophobicContact CB-CE1 4.24Å; W286-F384 HydrophobicContact CB-CZ 4.24Å; W286-F384 AromaticContact CD1-CE1 3.91Å; T377-F384 HydrophobicContact CG2-CB 3.74Å; T377-F384 HydrophobicContact CG2-CD2 4.09Å; T377-F384 HydrophobicContact CG2-CG 4.14Å; G379-F384 WeakPolarHBondContact CA-O 3.32Å; D382-F384 VanDerWaalsContact C-N 3.29Å; D382-F384 HydrophobicContact CB-CD2 4.07Å; D382-F384 PolarHBondContact O-N 3.3Å; D382-F384 WeakPolarHBondContact OD1-CB 3.31Å; D382-F384 PolarHBondContact OD1-N 3.45Å
385	E	97.9	Very high	97.2	Very high	63 Å²	63	60 Å²	60	29%	0.294	32%	0.318	S	S	.	.			trans	-73.4	147.3	167.5	-75.9	179.2	131.4	0	0	109.6	W243 N247 K279 T377 E387	W243-E385 HydrophobicContact CB-CG 3.64Å; W243-E385 HydrophobicContact CG-CG 3.96Å; N247-E385 PolarHBondContact ND2-OE1 3.14Å; K279-E385 WeakPolarHBondContact CD-OE2 3.26Å; K279-E385 VanDerWaalsContact CE-OE2 3.31Å; K279-E385 WeakPolarHBondContact CE-OE2 3.43Å; K279-E385 IonicContact NZ-OE1 3.48Å; K279-E385 PolarHBondContact NZ-OE1 3Å; K279-E385 IonicContact NZ-OE2 3.69Å; K279-E385 PolarHBondContact NZ-OE2 3.3Å; T377-E385 WeakPolarHBondContact CB-O 3.32Å; T377-E385 PolarHBondContact OG1-O 3.24Å; E385-E387 PolarHBondContact O-N 3.24Å
386	P	97.8	Very high	97.3	Very high	99 Å²	99	61.1 Å²	61.1	64%	0.643	33%	0.325	S	S	*	.			trans	-63.5	128.8	-180	-19.4	30.6	0	0	0	112.2	T377	T377-P386 CarbonylContact O-C 3.08Å; T377-P386 VanDerWaalsContact O-CA 3.31Å; T377-P386 WeakPolarHBondContact O-CA 3.24Å
387	E	95.8	Very high	97.2	Very high	116 Å²	116	62.6 Å²	62.6	54%	0.542	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-139.1	110.6	176.7	-171.1	177.6	177.7	0	0	108.8	C376 T377 E385	C376-E387 VanDerWaalsContact CA-O 3.32Å; C376-E387 WeakPolarHBondContact CA-O 3.38Å; C376-E387 VanDerWaalsContact CB-O 3.32Å; C376-E387 WeakPolarHBondContact CB-O 3.49Å; T377-E387 PolarHBondContact N-O 2.76Å; T377-E387 PolarHBondContact O-N 2.98Å; T377-E387 VanDerWaalsContact OG1-CB 3.31Å; T377-E387 WeakPolarHBondContact OG1-CB 3.46Å; T377-E387 PolarHBondContact OG1-N 3.48Å; E385-E387 PolarHBondContact O-N 3.24Å
388	E	95.6	Very high	97.2	Very high	185 Å²	185	62.3 Å²	62.3	86%	0.864	33%	0.328	S	S	*	.			trans	-78.3	138.2	178.3	-67.9	-172.3	171.8	0	0	111.2	S390	E388-S390 PolarHBondContact O-N 3.01Å
389	W	95.1	Very high	97.2	Very high	81 Å²	81	62.7 Å²	62.7	31%	0.307	33%	0.33	S	S	.	.			trans	-71.7	115.9	170.3	173.5	-106.8	0	0	0	110.8	V372 P374 C376 F394	V372-W389 HydrophobicContact CG1-CZ2 4.21Å; P374-W389 HydrophobicContact CB-CD2 4.01Å; P374-W389 HydrophobicContact CB-CG 3.94Å; P374-W389 HydrophobicContact CG-CZ2 4.4Å; C376-W389 HydrophobicContact CB-CB 4.21Å; W389-F394 HydrophobicContact CH2-CB 3.9Å; W389-F394 AromaticContact CH2-CD1 3.77Å; W389-F394 HydrophobicContact CH2-CD1 3.77Å; W389-F394 HydrophobicContact CH2-CD2 4Å; W389-F394 HydrophobicContact CH2-CE1 4.29Å; W389-F394 HydrophobicContact CH2-CE2 4.5Å; W389-F394 AromaticContact CH2-CG 3.6Å; W389-F394 HydrophobicContact CH2-CG 3.6Å; W389-F394 HydrophobicContact CZ2-CB 4.39Å; W389-F394 HydrophobicContact CZ2-CD1 4.22Å; W389-F394 HydrophobicContact CZ2-CG 4.33Å; W389-F394 HydrophobicContact CZ3-CB 4.37Å; W389-F394 HydrophobicContact CZ3-CD2 4.36Å; W389-F394 HydrophobicContact CZ3-CG 4.27Å
390	S	96.6	Very high	97.2	Very high	57 Å²	57	66.8 Å²	66.8	40%	0.399	36%	0.356	S	S	.	.			trans	-114.8	106.1	173.6	177.5	0	0	0	0	111.2	E388 Q392 A393 F394	E388-S390 PolarHBondContact O-N 3.01Å; S390-Q392 PolarHBondContact O-N 3.24Å; S390-A393 PolarHBondContact O-N 3.46Å; S390-A393 PolarHBondContact OG-N 3.2Å; S390-F394 PolarHBondContact O-N 3.05Å
391	F	96.7	Very high	97.1	Very high	83 Å²	83	64.3 Å²	64.3	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-59.9	-35.7	175.3	179.3	-106.4	0	0	0	112.4	V372 S395 P406 A408	V372-F391 HydrophobicContact CG1-CD2 4.31Å; V372-F391 HydrophobicContact CG1-CE2 4.14Å; F391-S395 VanDerWaalsContact O-CB 3.28Å; F391-S395 WeakPolarHBondContact O-CB 3.49Å; F391-S395 PolarHBondContact O-N 3.29Å; F391-P406 HydrophobicContact CE2-CB 4.11Å; F391-P406 HydrophobicContact CE2-CG 3.68Å; F391-P406 HydrophobicContact CZ-CB 4.47Å; F391-P406 HydrophobicContact CZ-CG 3.91Å; F391-A408 HydrophobicContact CD2-CB 4.25Å; F391-A408 HydrophobicContact CE2-CB 3.6Å; F391-A408 HydrophobicContact CZ-CB 3.98Å
392	Q	97.8	Very high	97.1	Very high	111 Å²	111	60.4 Å²	60.4	52%	0.519	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-46.8	179	-176.9	60.7	50.9	0	0	111.3	S390 S395 D396	S390-Q392 PolarHBondContact O-N 3.24Å; Q392-S395 PolarHBondContact O-N 2.59Å; Q392-D396 VanDerWaalsContact NE2-CG 3.26Å; Q392-D396 PolarHBondContact NE2-OD1 3.03Å; Q392-D396 VanDerWaalsContact NE2-OD1 3.12Å; Q392-D396 PolarHBondContact NE2-OD2 3.46Å; Q392-D396 PolarHBondContact O-N 2.77Å
393	A	96.8	Very high	97	Very high	58 Å²	58	62.9 Å²	62.9	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-46.4	178.2	0	0	0	0	0	111.2	S390 S395 D396 E397	S390-A393 PolarHBondContact O-N 3.46Å; S390-A393 PolarHBondContact OG-N 3.2Å; A393-S395 VanDerWaalsContact C-N 3.34Å; A393-S395 PolarHBondContact O-N 2.94Å; A393-D396 PolarHBondContact O-N 2.52Å; A393-E397 PolarHBondContact O-N 2.86Å
394	F	96.9	Very high	97	Very high	30 Å²	30	64.1 Å²	64.1	13%	0.132	36%	0.355	C	S	.	.	H	α-helix	trans	-58.7	-44.5	175.1	-178.4	-109.7	0	0	0	112	A367 V372 W389 S390 D396 E397 C398 P406	A367-F394 HydrophobicContact CB-CZ 4.35Å; A367-F394 WeakPolarHBondContact O-CZ 3.48Å; V372-F394 HydrophobicContact CG1-CD1 4.35Å; V372-F394 HydrophobicContact CG1-CE1 4.05Å; V372-F394 HydrophobicContact CG2-CE1 4.45Å; W389-F394 HydrophobicContact CH2-CB 3.9Å; W389-F394 AromaticContact CH2-CD1 3.77Å; W389-F394 HydrophobicContact CH2-CD1 3.77Å; W389-F394 HydrophobicContact CH2-CD2 4Å; W389-F394 HydrophobicContact CH2-CE1 4.29Å; W389-F394 HydrophobicContact CH2-CE2 4.5Å; W389-F394 AromaticContact CH2-CG 3.6Å; W389-F394 HydrophobicContact CH2-CG 3.6Å; W389-F394 HydrophobicContact CZ2-CB 4.39Å; W389-F394 HydrophobicContact CZ2-CD1 4.22Å; W389-F394 HydrophobicContact CZ2-CG 4.33Å; W389-F394 HydrophobicContact CZ3-CB 4.37Å; W389-F394 HydrophobicContact CZ3-CD2 4.36Å; W389-F394 HydrophobicContact CZ3-CG 4.27Å; S390-F394 PolarHBondContact O-N 3.05Å; F394-D396 VanDerWaalsContact C-N 3.33Å; F394-D396 PolarHBondContact O-N 3.32Å; F394-E397 PolarHBondContact O-N 2.99Å; F394-C398 PolarHBondContact O-N 3.2Å; F394-C398 PolarHBondContact O-SG 2.83Å; F394-P406 HydrophobicContact CD1-CB 4.42Å; F394-P406 HydrophobicContact CD1-CG 3.94Å; F394-P406 HydrophobicContact CE1-CB 4.06Å; F394-P406 HydrophobicContact CE1-CG 4.03Å
395	S	98.3	Very high	97	Very high	7 Å²	7	69.5 Å²	69.5	5%	0.049	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-36.2	177.8	179.4	0	0	0	0	113.1	F391 Q392 A393 N399 R405	F391-S395 VanDerWaalsContact O-CB 3.28Å; F391-S395 WeakPolarHBondContact O-CB 3.49Å; F391-S395 PolarHBondContact O-N 3.29Å; Q392-S395 PolarHBondContact O-N 2.59Å; A393-S395 VanDerWaalsContact C-N 3.34Å; A393-S395 PolarHBondContact O-N 2.94Å; S395-N399 WeakPolarHBondContact O-CB 3.3Å; S395-N399 PolarHBondContact O-N 2.99Å; S395-N399 VanDerWaalsContact O-N 3.1Å; S395-R405 PolarHBondContact OG-NH1 3.27Å
396	D	98.3	Very high	97	Very high	66 Å²	66	67 Å²	67	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-73.8	-35.4	179.1	-71.2	-28.5	0	0	0	111.8	Q392 A393 F394 N399 S400 R405	Q392-D396 VanDerWaalsContact NE2-CG 3.26Å; Q392-D396 PolarHBondContact NE2-OD1 3.03Å; Q392-D396 VanDerWaalsContact NE2-OD1 3.12Å; Q392-D396 PolarHBondContact NE2-OD2 3.46Å; Q392-D396 PolarHBondContact O-N 2.77Å; A393-D396 PolarHBondContact O-N 2.52Å; F394-D396 VanDerWaalsContact C-N 3.33Å; F394-D396 PolarHBondContact O-N 3.32Å; D396-N399 PolarHBondContact O-N 3.12Å; D396-S400 WeakPolarHBondContact O-CB 3.48Å; D396-S400 PolarHBondContact O-N 3.26Å; D396-R405 IonicContact OD1-CZ 2.7Å; D396-R405 IonicContact OD1-NH1 2.6Å; D396-R405 PolarHBondContact OD1-NH1 3.4Å; D396-R405 IonicContact OD1-NH2 3.78Å; D396-R405 PolarHBondContact OD1-NH2 3.28Å
397	E	95.9	Very high	97	Very high	53 Å²	53	67.7 Å²	67.7	25%	0.248	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-51.1	170.8	-177.6	177.5	-166.1	0	0	111.3	H25 F364 A393 F394 N399 S400 V401	H25-E397 WeakPolarHBondContact CB-OE1 3.46Å; H25-E397 IonicContact CD2-OE1 3.87Å; H25-E397 IonicContact CG-OE1 2.81Å; F364-E397 HydrophobicContact CZ-CG 4.26Å; A393-E397 PolarHBondContact O-N 2.86Å; F394-E397 PolarHBondContact O-N 2.99Å; E397-N399 PolarHBondContact O-N 3.01Å; E397-S400 WeakPolarHBondContact O-CA 3.31Å; E397-S400 WeakPolarHBondContact O-CB 3.49Å; E397-S400 PolarHBondContact O-N 3.29Å; E397-V401 HydrophobicContact CG-CG2 4.34Å; E397-V401 WeakPolarHBondContact O-CG2 3.37Å; E397-V401 PolarHBondContact O-N 3.08Å
398	C	97.9	Very high	97	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.2	-39.1	177.2	-70	0	0	0	0	112.7	C368 F394 V401 F402 G403 V404	C368-C398 WeakPolarHBondContact CA-SG 3.06Å; C368-C398 HydrophobicContact CB-CB 3.55Å; C368-C398 WeakPolarHBondContact CB-SG 3.37Å; C368-C398 WeakPolarHBondContact SG-CA 3.2Å; C368-C398 WeakPolarHBondContact SG-CB 3.36Å; C368-C398 CovalentContact SG-SG 2.04Å; C368-C398 PolarHBondContact SG-SG 3.33Å; F394-C398 PolarHBondContact O-N 3.2Å; F394-C398 PolarHBondContact O-SG 2.83Å; C398-V401 PolarHBondContact O-N 2.81Å; C398-F402 PolarHBondContact O-N 3.25Å; C398-G403 PolarHBondContact O-N 3.03Å; C398-V404 CarbonylContact C-O 3.57Å
399	N	98.2	Very high	97	Very high	68 Å²	68	59.7 Å²	59.7	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-68.9	-36.2	176.2	-174.7	74.5	0	0	0	111.8	S395 D396 E397 G403 V404 R405	S395-N399 WeakPolarHBondContact O-CB 3.3Å; S395-N399 PolarHBondContact O-N 2.99Å; S395-N399 VanDerWaalsContact O-N 3.1Å; D396-N399 PolarHBondContact O-N 3.12Å; E397-N399 PolarHBondContact O-N 3.01Å; N399-G403 WeakPolarHBondContact O-CA 3.44Å; N399-G403 PolarHBondContact O-N 2.85Å; N399-V404 WeakPolarHBondContact CA-O 3.46Å; N399-V404 PolarHBondContact N-O 3.11Å; N399-R405 HydrophobicContact CB-CG 4.13Å
400	S	97.7	Very high	97.1	Very high	104 Å²	104	59.9 Å²	59.9	73%	0.727	33%	0.325	S	S	*	.	H	α-helix	trans	-69	-37.1	176.1	-173.2	0	0	0	0	112.8	D396 E397	D396-S400 WeakPolarHBondContact O-CB 3.48Å; D396-S400 PolarHBondContact O-N 3.26Å; E397-S400 WeakPolarHBondContact O-CA 3.31Å; E397-S400 WeakPolarHBondContact O-CB 3.49Å; E397-S400 PolarHBondContact O-N 3.29Å
401	V	94.2	Very high	97.1	Very high	58 Å²	58	57.3 Å²	57.3	35%	0.352	31%	0.308	S	S	.	.	H	α-helix	trans	-84.5	-45.7	-175.1	177.5	0	0	0	0	111.7	F364 E397 C398	F364-V401 HydrophobicContact CD1-CG1 4.45Å; F364-V401 HydrophobicContact CE1-CB 4.3Å; F364-V401 HydrophobicContact CE1-CG1 3.98Å; F364-V401 HydrophobicContact CE1-CG2 4.12Å; E397-V401 HydrophobicContact CG-CG2 4.34Å; E397-V401 WeakPolarHBondContact O-CG2 3.37Å; E397-V401 PolarHBondContact O-N 3.08Å; C398-V401 PolarHBondContact O-N 2.81Å
402	F	96.3	Very high	97.1	Very high	25 Å²	25	54.3 Å²	54.3	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-118	-9.5	-171.3	-61.8	-66.2	0	0	0	114.1	L144 L361 F364 F365 C368 C398 V404	L144-F402 HydrophobicContact CD1-CD1 4.04Å; L144-F402 HydrophobicContact CD1-CE1 4.12Å; L361-F402 HydrophobicContact CD1-CE1 3.85Å; L361-F402 HydrophobicContact CD1-CZ 3.8Å; F364-F402 HydrophobicContact CB-CE2 4.46Å; F364-F402 HydrophobicContact CB-CZ 4.45Å; F364-F402 AromaticContact CD1-CE2 3.48Å; F364-F402 HydrophobicContact CD1-CE2 3.48Å; F364-F402 VanDerWaalsContact CD1-CE2 3.48Å; F364-F402 AromaticContact CD1-CZ 3.74Å; F364-F402 HydrophobicContact CD1-CZ 3.74Å; F364-F402 AromaticContact CE1-CE2 3.88Å; F364-F402 HydrophobicContact CE1-CE2 3.88Å; F364-F402 HydrophobicContact CE1-CZ 4.42Å; F364-F402 HydrophobicContact CG-CE2 4Å; F364-F402 HydrophobicContact CG-CZ 4.35Å; F365-F402 HydrophobicContact CB-CE1 4.18Å; F365-F402 HydrophobicContact CB-CE2 4.18Å; F365-F402 HydrophobicContact CB-CZ 3.91Å; F365-F402 HydrophobicContact CD2-CB 4.16Å; F365-F402 AromaticContact CD2-CD1 3.79Å; F365-F402 HydrophobicContact CD2-CD1 3.79Å; F365-F402 HydrophobicContact CD2-CD2 4.11Å; F365-F402 HydrophobicContact CD2-CE1 4.13Å; F365-F402 HydrophobicContact CD2-CE2 4.43Å; F365-F402 AromaticContact CD2-CG 3.77Å; F365-F402 HydrophobicContact CD2-CG 3.77Å; F365-F402 HydrophobicContact CD2-CZ 4.43Å; F365-F402 HydrophobicContact CE2-CB 4.33Å; F365-F402 HydrophobicContact CE2-CG 4.42Å; C368-F402 HydrophobicContact CB-CD2 4.01Å; C368-F402 HydrophobicContact CB-CE2 4.31Å; C398-F402 PolarHBondContact O-N 3.25Å; F402-V404 HydrophobicContact CB-CG1 4.43Å; F402-V404 HydrophobicContact CB-CG2 3.77Å; F402-V404 PolarHBondContact O-N 3.07Å
403	G	97.4	Very high	97.1	Very high	53 Å²	53	53.3 Å²	53.3	55%	0.546	30%	0.302	S	S	.	.	S	Bend	trans	69.3	21	-172	0	0	0	0	0	113.5	C398 N399	C398-G403 PolarHBondContact O-N 3.03Å; N399-G403 WeakPolarHBondContact O-CA 3.44Å; N399-G403 PolarHBondContact O-N 2.85Å
404	V	97.8	Very high	97.1	Very high	26 Å²	26	51.6 Å²	51.6	16%	0.158	29%	0.285	C	S	.	.			trans	-118.6	156.1	177.9	-56.5	0	0	0	0	110.4	V141 F365 C368 T369 C398 N399 F402	V141-V404 HydrophobicContact CG2-CG1 3.36Å; F365-V404 HydrophobicContact CE2-CG1 4.16Å; F365-V404 HydrophobicContact CE2-CG2 4.32Å; C368-V404 HydrophobicContact CB-CG2 4.23Å; T369-V404 HydrophobicContact CG2-CB 4.37Å; T369-V404 HydrophobicContact CG2-CG2 3.87Å; C398-V404 CarbonylContact C-O 3.57Å; N399-V404 WeakPolarHBondContact CA-O 3.46Å; N399-V404 PolarHBondContact N-O 3.11Å; F402-V404 HydrophobicContact CB-CG1 4.43Å; F402-V404 HydrophobicContact CB-CG2 3.77Å; F402-V404 PolarHBondContact O-N 3.07Å
405	R	98.2	Very high	97.2	Very high	116 Å²	116	50.6 Å²	50.6	44%	0.438	28%	0.28	S	S	.	.			trans	-117	138	171	-69.7	-171.6	175.8	-90.4	-2.2	110.4	S395 D396 N399	S395-R405 PolarHBondContact OG-NH1 3.27Å; D396-R405 IonicContact OD1-CZ 2.7Å; D396-R405 IonicContact OD1-NH1 2.6Å; D396-R405 PolarHBondContact OD1-NH1 3.4Å; D396-R405 IonicContact OD1-NH2 3.78Å; D396-R405 PolarHBondContact OD1-NH2 3.28Å; N399-R405 HydrophobicContact CB-CG 4.13Å
406	P	98.2	Very high	97.1	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.071	29%	0.293	C	S	.	.			trans	-63.3	140.5	-179.1	22.2	-31.9	0	0	0	112.2	C368 V372 F391 F394	C368-P406 WeakPolarHBondContact O-CA 3.28Å; V372-P406 HydrophobicContact CG2-CB 3.47Å; V372-P406 VanDerWaalsContact CG2-CB 3.47Å; F391-P406 HydrophobicContact CE2-CB 4.11Å; F391-P406 HydrophobicContact CE2-CG 3.68Å; F391-P406 HydrophobicContact CZ-CB 4.47Å; F391-P406 HydrophobicContact CZ-CG 3.91Å; F394-P406 HydrophobicContact CD1-CB 4.42Å; F394-P406 HydrophobicContact CD1-CG 3.94Å; F394-P406 HydrophobicContact CE1-CB 4.06Å; F394-P406 HydrophobicContact CE1-CG 4.03Å
407	R	97.9	Very high	97	Very high	113 Å²	113	49.1 Å²	49.1	43%	0.426	28%	0.281	S	S	.	.			trans	-102.2	81.9	171.9	-63	179.5	-69	164.8	3.1	108.8	T369 E370 D409 W410	T369-R407 PolarHBondContact O-N 3.27Å; E370-R407 IonicContact OE1-NH2 3.34Å; E370-R407 PolarHBondContact OE1-NH2 3.31Å; R407-D409 PolarHBondContact O-N 2.84Å; R407-D409 VanDerWaalsContact O-N 3.15Å; R407-W410 HydrophobicContact CB-CB 3.73Å; R407-W410 VanDerWaalsContact O-CB 3.23Å; R407-W410 WeakPolarHBondContact O-CB 3.21Å; R407-W410 PolarHBondContact O-N 3.31Å
408	A	95.4	Very high	97	Very high	20 Å²	20	51.9 Å²	51.9	17%	0.165	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.6	-166.8	0	0	0	0	0	115.1	P212 V372 F391	P212-A408 HydrophobicContact CG-CB 4.02Å; V372-A408 HydrophobicContact CB-CB 4.39Å; V372-A408 HydrophobicContact CG1-CB 4.05Å; F391-A408 HydrophobicContact CD2-CB 4.25Å; F391-A408 HydrophobicContact CE2-CB 3.6Å; F391-A408 HydrophobicContact CZ-CB 3.98Å
409	D	95.6	Very high	97	Very high	114 Å²	114	60.9 Å²	60.9	61%	0.61	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.5	-178.7	63.4	-27	0	0	0	113.4	R407 G412 T413	R407-D409 PolarHBondContact O-N 2.84Å; R407-D409 VanDerWaalsContact O-N 3.15Å; D409-G412 PolarHBondContact O-N 3.42Å; D409-T413 WeakPolarHBondContact O-CB 3.05Å; D409-T413 PolarHBondContact O-N 3.28Å; D409-T413 PolarHBondContact O-OG1 3.37Å
410	W	97.9	Very high	97	Very high	84 Å²	84	57.7 Å²	57.7	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-47.7	-170.1	-175.1	-115.7	0	0	0	112.6	E150 E370 R407 G412 T413 V414	E150-W410 PolarHBondContact OE1-NE1 3.05Å; E370-W410 PolarHBondContact OE1-NE1 3.43Å; R407-W410 HydrophobicContact CB-CB 3.73Å; R407-W410 VanDerWaalsContact O-CB 3.23Å; R407-W410 WeakPolarHBondContact O-CB 3.21Å; R407-W410 PolarHBondContact O-N 3.31Å; W410-G412 VanDerWaalsContact C-N 3.28Å; W410-G412 PolarHBondContact O-N 3.02Å; W410-T413 HydrophobicContact CE3-CG2 4.35Å; W410-T413 HydrophobicContact CZ3-CG2 4.19Å; W410-T413 WeakPolarHBondContact O-CA 3.49Å; W410-T413 WeakPolarHBondContact O-CB 3.04Å; W410-T413 PolarHBondContact O-N 3.38Å; W410-V414 HydrophobicContact CD2-CG2 3.7Å; W410-V414 HydrophobicContact CE3-CG2 4.17Å; W410-V414 HydrophobicContact CG-CG2 4.24Å; W410-V414 HydrophobicContact CH2-CG2 3.86Å; W410-V414 HydrophobicContact CZ2-CG2 3.35Å; W410-V414 HydrophobicContact CZ3-CG2 4.24Å; W410-V414 WeakPolarHBondContact O-CG2 3.22Å; W410-V414 PolarHBondContact O-N 3.28Å
411	A	96.2	Very high	97	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-40.3	177.1	0	0	0	0	0	111.9	F211 T413 Y415	F211-A411 HydrophobicContact CD1-CB 3.72Å; F211-A411 HydrophobicContact CE1-CB 3.28Å; F211-A411 HydrophobicContact CE2-CB 4.19Å; F211-A411 HydrophobicContact CG-CB 4.34Å; F211-A411 HydrophobicContact CZ-CB 3.55Å; A411-T413 PolarHBondContact O-N 3.34Å; A411-Y415 HydrophobicContact CB-CD2 4.31Å; A411-Y415 WeakPolarHBondContact O-CB 3.48Å; A411-Y415 VanDerWaalsContact O-CD2 3.27Å; A411-Y415 WeakPolarHBondContact O-CD2 3.46Å; A411-Y415 PolarHBondContact O-N 3.32Å
412	G	96.6	Very high	97.2	Very high	19 Å²	19	57.3 Å²	57.3	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-38.9	174.1	0	0	0	0	0	113	D409 W410 G416 G417	D409-G412 PolarHBondContact O-N 3.42Å; W410-G412 VanDerWaalsContact C-N 3.28Å; W410-G412 PolarHBondContact O-N 3.02Å; G412-G416 CarbonylContact O-C 3.55Å; G412-G416 VanDerWaalsContact O-CA 3.26Å; G412-G416 WeakPolarHBondContact O-CA 3.26Å; G412-G416 PolarHBondContact O-N 3.36Å; G412-G417 PolarHBondContact O-N 2.94Å
413	T	97.4	Very high	97.3	Very high	91 Å²	91	58.7 Å²	58.7	56%	0.558	33%	0.329	S	S	*	.	H	α-helix	trans	-67.5	-46.5	177	-62.8	0	0	0	0	111.9	D409 W410 A411	D409-T413 WeakPolarHBondContact O-CB 3.05Å; D409-T413 PolarHBondContact O-N 3.28Å; D409-T413 PolarHBondContact O-OG1 3.37Å; W410-T413 HydrophobicContact CE3-CG2 4.35Å; W410-T413 HydrophobicContact CZ3-CG2 4.19Å; W410-T413 WeakPolarHBondContact O-CA 3.49Å; W410-T413 WeakPolarHBondContact O-CB 3.04Å; W410-T413 PolarHBondContact O-N 3.38Å; A411-T413 PolarHBondContact O-N 3.34Å
414	V	97.9	Very high	97.4	Very high	21 Å²	21	58.3 Å²	58.3	13%	0.127	32%	0.318	C	S	.	.	H	α-helix	trans	-72.5	-45.1	-177.4	177.3	0	0	0	0	110.7	E150 K193 W410	E150-V414 HydrophobicContact CG-CG1 4.15Å; K193-V414 WeakPolarHBondContact CE-O 3.48Å; K193-V414 PolarHBondContact NZ-O 3.33Å; W410-V414 HydrophobicContact CD2-CG2 3.7Å; W410-V414 HydrophobicContact CE3-CG2 4.17Å; W410-V414 HydrophobicContact CG-CG2 4.24Å; W410-V414 HydrophobicContact CH2-CG2 3.86Å; W410-V414 HydrophobicContact CZ2-CG2 3.35Å; W410-V414 HydrophobicContact CZ3-CG2 4.24Å; W410-V414 WeakPolarHBondContact O-CG2 3.22Å; W410-V414 PolarHBondContact O-N 3.28Å
415	Y	98.2	Very high	97.4	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.039	32%	0.316	C	S	.	.	H	α-helix	trans	-103.3	-0.5	-169.8	-54.5	-63.9	0	0	0	114.5	S149 L153 W189 A411	S149-Y415 WeakPolarHBondContact CB-OH 3.44Å; S149-Y415 PolarHBondContact OG-OH 2.67Å; L153-Y415 HydrophobicContact CD1-CE1 3.79Å; W189-Y415 HydrophobicContact CB-CD1 3.6Å; W189-Y415 HydrophobicContact CB-CE1 3.65Å; W189-Y415 HydrophobicContact CB-CG 4.39Å; W189-Y415 AromaticContact CD1-CD1 3.65Å; W189-Y415 AromaticContact CD1-CG 3.62Å; W189-Y415 AromaticContact CD2-CD1 3.71Å; W189-Y415 HydrophobicContact CD2-CD1 3.71Å; W189-Y415 AromaticContact CD2-CD2 3.71Å; W189-Y415 HydrophobicContact CD2-CD2 3.71Å; W189-Y415 AromaticContact CD2-CE1 3.84Å; W189-Y415 HydrophobicContact CD2-CE1 3.84Å; W189-Y415 AromaticContact CD2-CE2 3.84Å; W189-Y415 HydrophobicContact CD2-CE2 3.84Å; W189-Y415 AromaticContact CD2-CG 3.65Å; W189-Y415 HydrophobicContact CD2-CG 3.65Å; W189-Y415 AromaticContact CD2-CZ 3.89Å; W189-Y415 AromaticContact CE2-CD2 3.54Å; W189-Y415 AromaticContact CE2-CG 3.58Å; W189-Y415 HydrophobicContact CE3-CD1 4.34Å; W189-Y415 HydrophobicContact CE3-CD2 4.03Å; W189-Y415 HydrophobicContact CE3-CE1 4.01Å; W189-Y415 AromaticContact CE3-CE2 3.68Å; W189-Y415 HydrophobicContact CE3-CE2 3.68Å; W189-Y415 HydrophobicContact CE3-CG 4.35Å; W189-Y415 AromaticContact CE3-CZ 3.66Å; W189-Y415 AromaticContact CG-CD1 3.37Å; W189-Y415 HydrophobicContact CG-CD1 3.37Å; W189-Y415 HydrophobicContact CG-CD2 4.23Å; W189-Y415 AromaticContact CG-CE1 3.72Å; W189-Y415 HydrophobicContact CG-CE1 3.72Å; W189-Y415 AromaticContact CG-CG 3.66Å; W189-Y415 HydrophobicContact CG-CG 3.66Å; W189-Y415 AromaticContact CH2-CD2 3.94Å; W189-Y415 HydrophobicContact CH2-CD2 3.94Å; W189-Y415 AromaticContact CH2-CE2 3.9Å; W189-Y415 HydrophobicContact CH2-CE2 3.9Å; W189-Y415 AromaticContact CZ2-CD2 3.67Å; W189-Y415 HydrophobicContact CZ2-CD2 3.67Å; W189-Y415 HydrophobicContact CZ2-CE2 4.11Å; W189-Y415 HydrophobicContact CZ2-CG 4.18Å; W189-Y415 HydrophobicContact CZ3-CD2 4.14Å; W189-Y415 AromaticContact CZ3-CE2 3.71Å; W189-Y415 HydrophobicContact CZ3-CE2 3.71Å; W189-Y415 AromaticContact NE1-CG 3.58Å; A411-Y415 HydrophobicContact CB-CD2 4.31Å; A411-Y415 WeakPolarHBondContact O-CB 3.48Å; A411-Y415 VanDerWaalsContact O-CD2 3.27Å; A411-Y415 WeakPolarHBondContact O-CD2 3.46Å; A411-Y415 PolarHBondContact O-N 3.32Å
416	G	95.8	Very high	97.4	Very high	31 Å²	31	52.7 Å²	52.7	32%	0.32	30%	0.296	S	S	.	.			trans	86.3	-0.4	171.4	0	0	0	0	0	115.4	G412 K418 K419	G412-G416 CarbonylContact O-C 3.55Å; G412-G416 VanDerWaalsContact O-CA 3.26Å; G412-G416 WeakPolarHBondContact O-CA 3.26Å; G412-G416 PolarHBondContact O-N 3.36Å; G416-K418 PolarHBondContact O-N 3.07Å; G416-K419 PolarHBondContact O-N 3.08Å
417	G	95.9	Very high	97.5	Very high	10 Å²	10	52.2 Å²	52.2	10%	0.103	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	-124.4	180	0	0	0	0	0	112.5	W209 G412 K419 I420	W209-G417 PolarHBondContact NE1-O 3.27Å; W209-G417 VanDerWaalsContact NE1-O 3.08Å; G412-G417 PolarHBondContact O-N 2.94Å; G417-K419 VanDerWaalsContact C-N 3.32Å; G417-K419 PolarHBondContact O-N 2.79Å; G417-I420 WeakPolarHBondContact O-CG2 3.48Å
418	K	97.2	Very high	97.5	Very high	111 Å²	111	46.9 Å²	46.9	48%	0.483	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.8	176	-65	-163.3	173.6	179.6	0	114.6	W209 M214 G416 I420	W209-K418 HydrophobicContact CD2-CD 4.39Å; W209-K418 HydrophobicContact CD2-CG 3.92Å; W209-K418 HydrophobicContact CG-CG 4.05Å; W209-K418 HydrophobicContact CZ2-CB 4.4Å; W209-K418 HydrophobicContact CZ2-CG 4.19Å; M214-K418 WeakPolarHBondContact O-CE 3.41Å; M214-K418 PolarHBondContact O-NZ 2.04Å; G416-K418 PolarHBondContact O-N 3.07Å; K418-I420 VanDerWaalsContact C-N 3.3Å; K418-I420 PolarHBondContact O-N 3.4Å; K418-I420 VanDerWaalsContact O-N 3.14Å
419	K	97.3	Very high	97.7	Very high	189 Å²	189	45.9 Å²	45.9	82%	0.822	26%	0.264	S	S	*	.			trans	-91.1	54	-174.9	-64	-178.8	-177.9	173.7	0	112.3	G416 G417	G416-K419 PolarHBondContact O-N 3.08Å; G417-K419 VanDerWaalsContact C-N 3.32Å; G417-K419 PolarHBondContact O-N 2.79Å
420	I	98.2	Very high	97.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	24%	0.235	C	C	.	.			trans	-101.2	8.2	-174.9	56.7	167.4	0	0	0	114.3	M192 I208 G417 K418 S422 H423 F428 I445 L449	M192-I420 HydrophobicContact CE-CB 4.16Å; M192-I420 HydrophobicContact CE-CD1 3.82Å; M192-I420 HydrophobicContact CE-CG2 3.98Å; M192-I420 HydrophobicContact SD-CG2 4.1Å; I208-I420 HydrophobicContact CD1-CD1 3.8Å; G417-I420 WeakPolarHBondContact O-CG2 3.48Å; K418-I420 VanDerWaalsContact C-N 3.3Å; K418-I420 PolarHBondContact O-N 3.4Å; K418-I420 VanDerWaalsContact O-N 3.14Å; I420-S422 PolarHBondContact O-N 3.19Å; I420-H423 WeakPolarHBondContact O-CB 3.48Å; I420-H423 PolarHBondContact O-CD2 3.4Å; I420-H423 VanDerWaalsContact O-CD2 3.24Å; I420-H423 PolarHBondContact O-N 3.06Å; I420-F428 HydrophobicContact CD1-CE2 4.31Å; I420-F428 HydrophobicContact CD1-CZ 3.97Å; I420-I445 HydrophobicContact CD1-CD1 3.51Å; I420-I445 HydrophobicContact CG1-CD1 3.64Å; I420-L449 WeakPolarHBondContact O-CD1 3.25Å
421	G	97.9	Very high	97.9	Very high	46 Å²	46	36.6 Å²	36.6	47%	0.474	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.7	-171.9	0	0	0	0	0	116.3	H423	G421-H423 VanDerWaalsContact C-N 3.32Å
422	S	97.8	Very high	98	Very high	109 Å²	109	37.7 Å²	37.7	76%	0.762	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.3	175.2	53.4	0	0	0	0	113.9	I420	I420-S422 PolarHBondContact O-N 3.19Å
423	H	98.6	Very high	98.1	Very high	54 Å²	54	38 Å²	38	25%	0.25	23%	0.229	C	C	.	.			trans	-81.8	171.1	179.2	-58.8	-67.3	0	0	0	112	M192 I420 G421 L449	M192-H423 HydrophobicContact CG-CB 4.15Å; I420-H423 WeakPolarHBondContact O-CB 3.48Å; I420-H423 PolarHBondContact O-CD2 3.4Å; I420-H423 VanDerWaalsContact O-CD2 3.24Å; I420-H423 PolarHBondContact O-N 3.06Å; G421-H423 VanDerWaalsContact C-N 3.32Å; H423-L449 HydrophobicContact CB-CD1 4.23Å; H423-L449 HydrophobicContact CB-CD2 4.2Å
424	S	98.6	Very high	98.1	Very high	45 Å²	45	33.6 Å²	33.6	32%	0.315	20%	0.203	S	C	.	.			trans	-150.2	157.8	-175.7	59.7	0	0	0	0	112.7	R191	R191-S424 PolarHBondContact NE-O 3.43Å; R191-S424 PolarHBondContact NH2-OG 3.37Å
425	N	98.8	Very high	98.2	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.128	20%	0.197	C	C	.	.	S	Bend	trans	62.3	50.9	173.4	-57.3	-4.8	0	0	0	112.4	V199 G200 A201 S448 W488	V199-N425 WeakPolarHBondContact O-CB 3.37Å; V199-N425 PolarHBondContact O-ND2 3.05Å; G200-N425 CarbonylContact C-O 3.16Å; G200-N425 WeakPolarHBondContact CA-O 3.31Å; A201-N425 PolarHBondContact N-O 3.49Å; N425-S448 WeakPolarHBondContact CA-O 3.44Å; N425-S448 WeakPolarHBondContact CA-OG 3.37Å; N425-S448 PolarHBondContact N-O 3.45Å; N425-S448 PolarHBondContact N-OG 2.82Å; N425-S448 PolarHBondContact OD1-OG 3.49Å; N425-W488 VanDerWaalsContact C-CZ2 3.4Å; N425-W488 VanDerWaalsContact CA-CZ2 3.44Å; N425-W488 HydrophobicContact CB-CD2 3.97Å; N425-W488 HydrophobicContact CB-CG 4.25Å; N425-W488 HydrophobicContact CB-CH2 4.44Å; N425-W488 HydrophobicContact CB-CZ2 3.81Å; N425-W488 VanDerWaalsContact CG-CD1 3.48Å; N425-W488 VanDerWaalsContact CG-NE1 3.31Å; N425-W488 WeakPolarHBondContact O-CH2 3.47Å; N425-W488 PolarHBondContact OD1-NE1 2.92Å
426	I	98.9	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.8	174.7	-49.8	175.9	0	0	0	108.4	R191 M192 A201 A203 F428 S448 L449 V450	R191-I426 HydrophobicContact CB-CD1 4.22Å; R191-I426 HydrophobicContact CB-CG1 4.16Å; R191-I426 HydrophobicContact CG-CD1 4.04Å; R191-I426 HydrophobicContact CG-CG1 3.69Å; M192-I426 HydrophobicContact CE-CD1 3.75Å; M192-I426 HydrophobicContact CG-CD1 3.88Å; A201-I426 HydrophobicContact CB-CG1 4.48Å; A201-I426 HydrophobicContact CB-CG2 4.31Å; A201-I426 WeakPolarHBondContact O-CA 3.44Å; A203-I426 HydrophobicContact CB-CG2 4.35Å; I426-F428 HydrophobicContact CB-CE2 3.97Å; I426-F428 HydrophobicContact CB-CZ 4.14Å; I426-F428 HydrophobicContact CD1-CZ 4.39Å; I426-F428 HydrophobicContact CG2-CD1 4.26Å; I426-F428 HydrophobicContact CG2-CD2 4.11Å; I426-F428 HydrophobicContact CG2-CE1 3.81Å; I426-F428 HydrophobicContact CG2-CE2 3.65Å; I426-F428 HydrophobicContact CG2-CG 4.41Å; I426-F428 HydrophobicContact CG2-CZ 3.49Å; I426-F428 VanDerWaalsContact CG2-CZ 3.49Å; I426-S448 PolarHBondContact N-O 3.48Å; I426-L449 HydrophobicContact CB-CD2 3.66Å; I426-L449 HydrophobicContact CD1-CD2 3.79Å; I426-L449 HydrophobicContact CG1-CD2 3.72Å; I426-L449 WeakPolarHBondContact O-CA 3.32Å; I426-V450 PolarHBondContact O-N 3.44Å
427	I	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.2	166.1	-62.3	148.4	0	0	0	107.3	A201 L202 A203 V450 I452 E481 Y484 F485 W488	A201-I427 PolarHBondContact O-N 3.36Å; L202-I427 HydrophobicContact CD1-CB 3.83Å; L202-I427 HydrophobicContact CD1-CD1 4.46Å; L202-I427 HydrophobicContact CD1-CG2 3.59Å; A203-I427 PolarHBondContact N-O 3.05Å; I427-V450 CarbonylContact C-O 3.6Å; I427-V450 WeakPolarHBondContact CA-O 3.49Å; I427-V450 HydrophobicContact CB-CG2 4.28Å; I427-V450 HydrophobicContact CG1-CG2 3.76Å; I427-V450 HydrophobicContact CG2-CG2 4.49Å; I427-I452 HydrophobicContact CG2-CD1 3.54Å; I427-I452 HydrophobicContact CG2-CG1 3.93Å; I427-E481 HydrophobicContact CD1-CB 4.44Å; I427-E481 HydrophobicContact CD1-CG 4.32Å; I427-E481 HydrophobicContact CG2-CG 4.31Å; I427-Y484 HydrophobicContact CD1-CD2 3.89Å; I427-Y484 HydrophobicContact CD1-CG 4.03Å; I427-Y484 HydrophobicContact CG1-CD2 3.93Å; I427-Y484 HydrophobicContact CG1-CG 4.22Å; I427-F485 HydrophobicContact CD1-CD1 4.43Å; I427-F485 HydrophobicContact CD1-CE1 4.09Å; I427-W488 HydrophobicContact CD1-CH2 3.56Å; I427-W488 HydrophobicContact CD1-CZ2 4.37Å; I427-W488 HydrophobicContact CD1-CZ3 4.03Å; I427-W488 HydrophobicContact CG1-CH2 3.71Å; I427-W488 HydrophobicContact CG1-CZ2 4.28Å
428	F	98.9	Very high	98.4	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	96.1	168.2	-59.9	-82.2	0	0	0	108.4	M192 A203 I208 I420 I426 V441 L449 V450 S451 I452	M192-F428 HydrophobicContact CE-CZ 4.1Å; A203-F428 HydrophobicContact CB-CD1 3.87Å; A203-F428 HydrophobicContact CB-CE1 4.16Å; A203-F428 WeakPolarHBondContact O-CA 3.22Å; I208-F428 HydrophobicContact CD1-CD1 4.47Å; I208-F428 HydrophobicContact CD1-CE1 3.64Å; I208-F428 HydrophobicContact CD1-CZ 3.96Å; I208-F428 HydrophobicContact CG1-CE1 4.3Å; I420-F428 HydrophobicContact CD1-CE2 4.31Å; I420-F428 HydrophobicContact CD1-CZ 3.97Å; I426-F428 HydrophobicContact CB-CE2 3.97Å; I426-F428 HydrophobicContact CB-CZ 4.14Å; I426-F428 HydrophobicContact CD1-CZ 4.39Å; I426-F428 HydrophobicContact CG2-CD1 4.26Å; I426-F428 HydrophobicContact CG2-CD2 4.11Å; I426-F428 HydrophobicContact CG2-CE1 3.81Å; I426-F428 HydrophobicContact CG2-CE2 3.65Å; I426-F428 HydrophobicContact CG2-CG 4.41Å; I426-F428 HydrophobicContact CG2-CZ 3.49Å; I426-F428 VanDerWaalsContact CG2-CZ 3.49Å; F428-V441 HydrophobicContact CB-CB 3.75Å; F428-V441 HydrophobicContact CB-CG1 4.34Å; F428-V441 HydrophobicContact CB-CG2 4.49Å; F428-V441 HydrophobicContact CD1-CB 4.11Å; F428-V441 HydrophobicContact CD1-CG2 3.93Å; F428-V441 HydrophobicContact CD2-CB 3.88Å; F428-V441 HydrophobicContact CD2-CG1 3.92Å; F428-V441 HydrophobicContact CD2-CG2 4.08Å; F428-V441 HydrophobicContact CE1-CG2 4.09Å; F428-V441 HydrophobicContact CE2-CB 4.49Å; F428-V441 HydrophobicContact CE2-CG1 4.48Å; F428-V441 HydrophobicContact CE2-CG2 4.23Å; F428-V441 HydrophobicContact CG-CB 3.65Å; F428-V441 HydrophobicContact CG-CG1 4.2Å; F428-V441 HydrophobicContact CG-CG2 3.92Å; F428-V441 HydrophobicContact CZ-CG2 4.22Å; F428-L449 HydrophobicContact CE2-CD2 4.47Å; F428-V450 PolarHBondContact N-O 3.34Å; F428-S451 CarbonylContact O-C 3.48Å; F428-S451 VanDerWaalsContact O-CA 3.25Å; F428-S451 WeakPolarHBondContact O-CA 3.4Å; F428-I452 PolarHBondContact O-N 2.95Å
429	S	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.9	173.8	49.9	0	0	0	0	110	A203 A204 S205 I452 D462	A203-S429 PolarHBondContact O-N 3.14Å; A204-S429 VanDerWaalsContact CA-OG 3.25Å; A204-S429 WeakPolarHBondContact CA-OG 3.28Å; A204-S429 WeakPolarHBondContact CB-OG 3.2Å; S205-S429 WeakPolarHBondContact CA-O 3.21Å; S205-S429 PolarHBondContact N-O 3.34Å; S429-I452 CarbonylContact C-O 3.56Å; S429-I452 WeakPolarHBondContact CA-O 3.13Å; S429-D462 VanDerWaalsContact CB-OD2 3.29Å; S429-D462 WeakPolarHBondContact CB-OD2 3.35Å; S429-D462 PolarHBondContact OG-OD2 2.94Å
430	N	98.9	Very high	98.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	139	176.5	-73.1	-81.3	0	0	0	110.8	V441 I452 M453 I454	N430-V441 PolarHBondContact ND2-O 3.37Å; N430-I452 PolarHBondContact N-O 3.27Å; N430-M453 HydrophobicContact CB-CE 3.9Å; N430-M453 HydrophobicContact CB-SD 3.79Å; N430-I454 PolarHBondContact O-N 2.94Å
431	G	98.8	Very high	98.6	Very high	1 Å²	1	19 Å²	19	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	141.4	169.6	0	0	0	0	0	112	L433 D434 S437 I454 G457	G431-L433 VanDerWaalsContact C-N 3.29Å; G431-D434 PolarHBondContact O-N 3.49Å; G431-S437 WeakPolarHBondContact O-CB 3.42Å; G431-I454 CarbonylContact C-O 3.44Å; G431-G457 CarbonylContact C-O 3.49Å; G431-G457 WeakPolarHBondContact CA-O 3.49Å
432	G	98.2	Very high	98.6	Very high	27 Å²	27	20.2 Å²	20.2	28%	0.278	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.7	173.5	0	0	0	0	0	114	I454 P455 G457	G432-I454 PolarHBondContact N-O 2.78Å; G432-P455 WeakPolarHBondContact CA-O 3.38Å; G432-G457 PolarHBondContact N-O 3.22Å
433	L	98.4	Very high	98.6	Very high	25 Å²	25	18.5 Å²	18.5	13%	0.131	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.4	173.4	-50.5	175.3	0	0	0	111.7	W307 G431 P435 G457 A458	W307-L433 HydrophobicContact CH2-CD1 4.14Å; W307-L433 HydrophobicContact CZ3-CD1 3.55Å; G431-L433 VanDerWaalsContact C-N 3.29Å; L433-P435 WeakPolarHBondContact O-CD 3.42Å; L433-G457 WeakPolarHBondContact CB-O 3.29Å; L433-G457 PolarHBondContact N-O 3.39Å; L433-A458 HydrophobicContact CB-CB 4.43Å
434	D	98.7	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.132	C	C	.	.			trans	-92	117	-178.9	-179.6	13.4	0	0	0	109.9	S205 G431 W436 S437 H459	S205-D434 WeakPolarHBondContact CB-OD2 3.29Å; S205-D434 PolarHBondContact OG-OD2 3.37Å; G431-D434 PolarHBondContact O-N 3.49Å; D434-W436 PolarHBondContact O-N 3.13Å; D434-W436 WeakPolarHBondContact OD1-CB 2.97Å; D434-W436 PolarHBondContact OD1-N 3.3Å; D434-S437 VanDerWaalsContact O-CB 3.23Å; D434-S437 WeakPolarHBondContact O-CB 3.31Å; D434-S437 PolarHBondContact O-N 2.85Å; D434-S437 PolarHBondContact O-OG 3.01Å; D434-H459 IonicContact OD1-CG 3.59Å; D434-H459 IonicContact OD1-ND1 3.3Å; D434-H459 PolarHBondContact OD1-ND1 3.05Å; D434-H459 VanDerWaalsContact OD1-ND1 3.08Å; D434-H459 IonicContact OD2-CE1 2.76Å; D434-H459 IonicContact OD2-CG 3.8Å; D434-H459 IonicContact OD2-ND1 2.7Å; D434-H459 PolarHBondContact OD2-ND1 2.91Å
435	P	98.6	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24	177.9	29.3	-37.9	0	0	0	112.9	F220 I223 V224 A290 M291 L433 S437 A438	F220-P435 HydrophobicContact CD1-CB 4.33Å; F220-P435 HydrophobicContact CD2-CB 3.7Å; F220-P435 HydrophobicContact CD2-CG 4.33Å; F220-P435 WeakPolarHBondContact CD2-O 3Å; F220-P435 HydrophobicContact CE1-CB 4.19Å; F220-P435 HydrophobicContact CE1-CG 4.39Å; F220-P435 HydrophobicContact CE2-CB 3.52Å; F220-P435 HydrophobicContact CE2-CG 3.64Å; F220-P435 HydrophobicContact CG-CB 4.1Å; F220-P435 HydrophobicContact CZ-CB 3.79Å; F220-P435 HydrophobicContact CZ-CG 3.68Å; I223-P435 HydrophobicContact CB-CB 4.27Å; I223-P435 HydrophobicContact CG2-CB 4.24Å; V224-P435 HydrophobicContact CG2-CB 3.5Å; V224-P435 VanDerWaalsContact CG2-CB 3.5Å; V224-P435 HydrophobicContact CG2-CG 3.86Å; A290-P435 HydrophobicContact CB-CG 4.33Å; M291-P435 HydrophobicContact CG-CG 4Å; L433-P435 WeakPolarHBondContact O-CD 3.42Å; P435-S437 PolarHBondContact O-N 3.41Å; P435-A438 WeakPolarHBondContact O-CB 3.36Å; P435-A438 PolarHBondContact O-N 2.68Å
436	W	98.7	Very high	98.5	Very high	35 Å²	35	22.3 Å²	22.3	13%	0.133	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-69.2	-15.4	174.4	-68.9	105.7	0	0	0	113.8	P207 Q210 F220 M291 M373 M375 D434 A438 G439 G440 H459	P207-W436 HydrophobicContact CB-CB 4.43Å; P207-W436 HydrophobicContact CB-CE3 3.74Å; P207-W436 HydrophobicContact CB-CZ3 4.43Å; P207-W436 HydrophobicContact CG-CD2 4.29Å; P207-W436 HydrophobicContact CG-CE3 3.64Å; P207-W436 HydrophobicContact CG-CZ3 4.16Å; Q210-W436 HydrophobicContact CG-CZ3 4.23Å; F220-W436 HydrophobicContact CD2-CD2 4.19Å; F220-W436 HydrophobicContact CD2-CE3 4.23Å; F220-W436 AromaticContact CE2-CD1 3.95Å; F220-W436 AromaticContact CE2-CD2 3.58Å; F220-W436 HydrophobicContact CE2-CD2 3.58Å; F220-W436 AromaticContact CE2-CE2 3.55Å; F220-W436 HydrophobicContact CE2-CE3 4.03Å; F220-W436 AromaticContact CE2-CG 3.88Å; F220-W436 HydrophobicContact CE2-CG 3.88Å; F220-W436 HydrophobicContact CE2-CH2 4.48Å; F220-W436 HydrophobicContact CE2-CZ2 4.02Å; F220-W436 HydrophobicContact CE2-CZ3 4.48Å; F220-W436 AromaticContact CE2-NE1 3.75Å; F220-W436 HydrophobicContact CZ-CZ2 4.37Å; M291-W436 PolarHBondContact SD-NE1 3.03Å; M373-W436 HydrophobicContact CE-CH2 4.32Å; M373-W436 HydrophobicContact SD-CH2 4.34Å; M373-W436 HydrophobicContact SD-CZ3 4Å; M375-W436 HydrophobicContact CE-CE3 4.1Å; M375-W436 HydrophobicContact CE-CH2 3.27Å; M375-W436 HydrophobicContact CE-CZ2 4.1Å; M375-W436 HydrophobicContact CE-CZ3 3.26Å; D434-W436 PolarHBondContact O-N 3.13Å; D434-W436 WeakPolarHBondContact OD1-CB 2.97Å; D434-W436 PolarHBondContact OD1-N 3.3Å; W436-A438 PolarHBondContact O-N 3.09Å; W436-A438 VanDerWaalsContact O-N 3.16Å; W436-G439 PolarHBondContact O-N 3.44Å; W436-G439 VanDerWaalsContact O-N 3.09Å; W436-G440 PolarHBondContact O-N 2.9Å; W436-H459 AromaticContact CD1-CE1 3.44Å; W436-H459 VanDerWaalsContact CD1-CE1 3.44Å; W436-H459 AromaticContact CD1-ND1 3.6Å; W436-H459 AromaticContact CG-CE1 3.87Å
437	S	98.6	Very high	98.3	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21.4	173.6	70	0	0	0	0	112.9	G431 D434 P435 G439 G440	G431-S437 WeakPolarHBondContact O-CB 3.42Å; D434-S437 VanDerWaalsContact O-CB 3.23Å; D434-S437 WeakPolarHBondContact O-CB 3.31Å; D434-S437 PolarHBondContact O-N 2.85Å; D434-S437 PolarHBondContact O-OG 3.01Å; P435-S437 PolarHBondContact O-N 3.41Å; S437-G439 VanDerWaalsContact C-N 3.28Å; S437-G439 PolarHBondContact O-N 3.2Å; S437-G440 PolarHBondContact O-N 2.96Å; S437-G440 VanDerWaalsContact O-N 3.07Å
438	A	98.2	Very high	98.2	Very high	18 Å²	18	32.3 Å²	32.3	15%	0.149	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.2	-43.1	171.7	0	0	0	0	0	112.4	V215 D219 I223 P435 W436	V215-A438 WeakPolarHBondContact CG1-O 3.46Å; D219-A438 HydrophobicContact CB-CB 3.74Å; I223-A438 HydrophobicContact CD1-CB 3.82Å; P435-A438 WeakPolarHBondContact O-CB 3.36Å; P435-A438 PolarHBondContact O-N 2.68Å; W436-A438 PolarHBondContact O-N 3.09Å; W436-A438 VanDerWaalsContact O-N 3.16Å
439	G	98.4	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-90	3.3	177.5	0	0	0	0	0	114.1	P207 I208 W209 W436 S437	P207-G439 CarbonylContact C-O 3.55Å; P207-G439 VanDerWaalsContact CA-O 3.23Å; P207-G439 WeakPolarHBondContact CA-O 3.4Å; I208-G439 PolarHBondContact N-O 3.15Å; W209-G439 CarbonylContact C-O 3.58Å; W209-G439 WeakPolarHBondContact CA-O 3.48Å; W209-G439 WeakPolarHBondContact CB-O 3.34Å; W209-G439 PolarHBondContact N-O 2.74Å; W436-G439 PolarHBondContact O-N 3.44Å; W436-G439 VanDerWaalsContact O-N 3.09Å; S437-G439 VanDerWaalsContact C-N 3.28Å; S437-G439 PolarHBondContact O-N 3.2Å
440	G	98.3	Very high	98.2	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	-91.6	173.2	-174.8	0	0	0	0	0	114.3	W209 W436 S437	W209-G440 VanDerWaalsContact CE3-O 3.3Å; W436-G440 PolarHBondContact O-N 2.9Å; S437-G440 PolarHBondContact O-N 2.96Å; S437-G440 VanDerWaalsContact O-N 3.07Å
441	V	98.6	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.195	C	C	.	.			trans	-88.8	104	169.4	-177.4	0	0	0	0	109.5	I208 W209 F428 N430 S443 I445 S451	I208-V441 HydrophobicContact CD1-CG2 3.65Å; I208-V441 HydrophobicContact CG1-CG2 3.85Å; W209-V441 HydrophobicContact CD2-CG2 4.16Å; W209-V441 HydrophobicContact CE3-CG2 4.28Å; W209-V441 HydrophobicContact CH2-CB 4.25Å; W209-V441 HydrophobicContact CH2-CG1 3.98Å; W209-V441 HydrophobicContact CH2-CG2 3.85Å; W209-V441 HydrophobicContact CZ2-CG1 4.44Å; W209-V441 HydrophobicContact CZ2-CG2 3.68Å; W209-V441 HydrophobicContact CZ3-CB 4.37Å; W209-V441 HydrophobicContact CZ3-CG1 4.43Å; W209-V441 HydrophobicContact CZ3-CG2 4.14Å; F428-V441 HydrophobicContact CB-CB 3.75Å; F428-V441 HydrophobicContact CB-CG1 4.34Å; F428-V441 HydrophobicContact CB-CG2 4.49Å; F428-V441 HydrophobicContact CD1-CB 4.11Å; F428-V441 HydrophobicContact CD1-CG2 3.93Å; F428-V441 HydrophobicContact CD2-CB 3.88Å; F428-V441 HydrophobicContact CD2-CG1 3.92Å; F428-V441 HydrophobicContact CD2-CG2 4.08Å; F428-V441 HydrophobicContact CE1-CG2 4.09Å; F428-V441 HydrophobicContact CE2-CB 4.49Å; F428-V441 HydrophobicContact CE2-CG1 4.48Å; F428-V441 HydrophobicContact CE2-CG2 4.23Å; F428-V441 HydrophobicContact CG-CB 3.65Å; F428-V441 HydrophobicContact CG-CG1 4.2Å; F428-V441 HydrophobicContact CG-CG2 3.92Å; F428-V441 HydrophobicContact CZ-CG2 4.22Å; N430-V441 PolarHBondContact ND2-O 3.37Å; V441-S443 VanDerWaalsContact CG1-O 3.32Å; V441-S443 WeakPolarHBondContact CG1-O 3.37Å; V441-I445 HydrophobicContact CG1-CD1 3.68Å; V441-I445 HydrophobicContact CG1-CG1 3.92Å; V441-I445 HydrophobicContact CG2-CD1 4.33Å; V441-S451 WeakPolarHBondContact O-CB 3.49Å; V441-S451 PolarHBondContact O-OG 2.84Å
442	T	97.8	Very high	98.2	Very high	70 Å²	70	34 Å²	34	43%	0.429	20%	0.198	S	C	.	.			trans	-102.3	5.4	-173.7	56.2	0	0	0	0	114.4	S451 M453	T442-S451 VanDerWaalsContact CA-OG 3.26Å; T442-S451 WeakPolarHBondContact CA-OG 3.5Å; T442-S451 PolarHBondContact O-OG 3.05Å; T442-M453 HydrophobicContact CG2-CE 4.26Å; T442-M453 HydrophobicContact CG2-SD 3.8Å
443	S	97.9	Very high	98.2	Very high	74 Å²	74	36.4 Å²	36.4	52%	0.517	20%	0.203	S	C	.	.	S	Bend	trans	-144.3	155.4	174.7	58.8	0	0	0	0	111.7	V441 I445 S451	V441-S443 VanDerWaalsContact CG1-O 3.32Å; V441-S443 WeakPolarHBondContact CG1-O 3.37Å; S443-I445 PolarHBondContact O-N 3.22Å; S443-S451 VanDerWaalsContact C-CB 3.44Å; S443-S451 PolarHBondContact N-OG 3.19Å
444	N	98.5	Very high	98.2	Very high	106 Å²	106	35.3 Å²	35.3	57%	0.567	20%	0.197	S	C	*	.			trans	-63.2	127.7	177.6	-68.9	-15.7	0	0	0	110.4	V450 S451	N444-V450 VanDerWaalsContact OD1-CA 3.28Å; N444-V450 WeakPolarHBondContact OD1-CA 3.21Å; N444-S451 PolarHBondContact OD1-N 3.45Å
445	I	98.2	Very high	98.2	Very high	56 Å²	56	39.1 Å²	39.1	29%	0.287	22%	0.222	S	C	.	.	S	Bend	trans	-89.1	-35.1	174.6	-60	174.7	0	0	0	110	W209 I420 V441 S443 L449	W209-I445 HydrophobicContact CH2-CD1 4.08Å; W209-I445 HydrophobicContact CZ2-CD1 3.79Å; I420-I445 HydrophobicContact CD1-CD1 3.51Å; I420-I445 HydrophobicContact CG1-CD1 3.64Å; V441-I445 HydrophobicContact CG1-CD1 3.68Å; V441-I445 HydrophobicContact CG1-CG1 3.92Å; V441-I445 HydrophobicContact CG2-CD1 4.33Å; S443-I445 PolarHBondContact O-N 3.22Å; I445-L449 HydrophobicContact CB-CB 3.93Å; I445-L449 HydrophobicContact CB-CD1 4.31Å; I445-L449 HydrophobicContact CG2-CD1 4.1Å; I445-L449 PolarHBondContact N-O 3.1Å
446	S	97.8	Very high	98	Very high	41 Å²	41	42.7 Å²	42.7	29%	0.287	24%	0.241	S	C	.	.	S	Bend	trans	-152.2	-178.8	176.3	79.8	0	0	0	0	110.6	S448 L449	S446-S448 PolarHBondContact O-N 3.43Å; S446-S448 VanDerWaalsContact O-N 3.15Å; S446-S448 PolarHBondContact OG-N 2.91Å; S446-S448 VanDerWaalsContact OG-N 3.15Å; S446-L449 PolarHBondContact N-O 3.44Å; S446-L449 PolarHBondContact OG-N 3.34Å
447	Q	95.9	Very high	98	Very high	185 Å²	185	41 Å²	41	86%	0.864	23%	0.234	S	C	*	.	S	Bend	trans	-64.1	-13.8	173.1	-66	-176	-7.3	0	0	113.9
448	S	96.8	Very high	98	Very high	24 Å²	24	40.4 Å²	40.4	17%	0.168	23%	0.231	C	C	.	.	S	Bend	trans	-126	-2.2	-178.3	-150.7	0	0	0	0	114.2	N425 I426 S446	N425-S448 WeakPolarHBondContact CA-O 3.44Å; N425-S448 WeakPolarHBondContact CA-OG 3.37Å; N425-S448 PolarHBondContact N-O 3.45Å; N425-S448 PolarHBondContact N-OG 2.82Å; N425-S448 PolarHBondContact OD1-OG 3.49Å; I426-S448 PolarHBondContact N-O 3.48Å; S446-S448 PolarHBondContact O-N 3.43Å; S446-S448 VanDerWaalsContact O-N 3.15Å; S446-S448 PolarHBondContact OG-N 2.91Å; S446-S448 VanDerWaalsContact OG-N 3.15Å
449	L	98.6	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	90	168.9	-63.1	179.6	0	0	0	106.6	I420 H423 I426 F428 I445 S446	I420-L449 WeakPolarHBondContact O-CD1 3.25Å; H423-L449 HydrophobicContact CB-CD1 4.23Å; H423-L449 HydrophobicContact CB-CD2 4.2Å; I426-L449 HydrophobicContact CB-CD2 3.66Å; I426-L449 HydrophobicContact CD1-CD2 3.79Å; I426-L449 HydrophobicContact CG1-CD2 3.72Å; I426-L449 WeakPolarHBondContact O-CA 3.32Å; F428-L449 HydrophobicContact CE2-CD2 4.47Å; I445-L449 HydrophobicContact CB-CB 3.93Å; I445-L449 HydrophobicContact CB-CD1 4.31Å; I445-L449 HydrophobicContact CG2-CD1 4.1Å; I445-L449 PolarHBondContact N-O 3.1Å; S446-L449 PolarHBondContact N-O 3.44Å; S446-L449 PolarHBondContact OG-N 3.34Å
450	V	98.6	Very high	98	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.6	-166.6	-59.2	0	0	0	0	110.4	I426 I427 F428 N444 Y484	I426-V450 PolarHBondContact O-N 3.44Å; I427-V450 CarbonylContact C-O 3.6Å; I427-V450 WeakPolarHBondContact CA-O 3.49Å; I427-V450 HydrophobicContact CB-CG2 4.28Å; I427-V450 HydrophobicContact CG1-CG2 3.76Å; I427-V450 HydrophobicContact CG2-CG2 4.49Å; F428-V450 PolarHBondContact N-O 3.34Å; N444-V450 VanDerWaalsContact OD1-CA 3.28Å; N444-V450 WeakPolarHBondContact OD1-CA 3.21Å; V450-Y484 HydrophobicContact CG2-CD2 4.42Å; V450-Y484 HydrophobicContact CG2-CE1 4.38Å; V450-Y484 HydrophobicContact CG2-CE2 3.79Å
451	S	98.7	Very high	98	Very high	19 Å²	19	40.5 Å²	40.5	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.8	173.9	-177.3	0	0	0	0	110	F428 V441 T442 S443 N444	F428-S451 CarbonylContact O-C 3.48Å; F428-S451 VanDerWaalsContact O-CA 3.25Å; F428-S451 WeakPolarHBondContact O-CA 3.4Å; V441-S451 WeakPolarHBondContact O-CB 3.49Å; V441-S451 PolarHBondContact O-OG 2.84Å; T442-S451 VanDerWaalsContact CA-OG 3.26Å; T442-S451 WeakPolarHBondContact CA-OG 3.5Å; T442-S451 PolarHBondContact O-OG 3.05Å; S443-S451 VanDerWaalsContact C-CB 3.44Å; S443-S451 PolarHBondContact N-OG 3.19Å; N444-S451 PolarHBondContact OD1-N 3.45Å
452	I	98.8	Very high	98	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	102.4	175.6	-59	179.9	0	0	0	108.1	I427 F428 S429 N430 A477 L480 E481	I427-I452 HydrophobicContact CG2-CD1 3.54Å; I427-I452 HydrophobicContact CG2-CG1 3.93Å; F428-I452 PolarHBondContact O-N 2.95Å; S429-I452 CarbonylContact C-O 3.56Å; S429-I452 WeakPolarHBondContact CA-O 3.13Å; N430-I452 PolarHBondContact N-O 3.27Å; I452-A477 HydrophobicContact CG2-CB 3.59Å; I452-L480 HydrophobicContact CD1-CB 4.27Å; I452-L480 HydrophobicContact CD1-CD2 3.79Å; I452-L480 HydrophobicContact CD1-CG 3.91Å; I452-L480 HydrophobicContact CG1-CD2 4.09Å; I452-E481 HydrophobicContact CD1-CG 3.93Å
453	M	98.6	Very high	98.1	Very high	78 Å²	78	37.3 Å²	37.3	38%	0.384	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136	174.2	-64.3	-55.3	-56.5	0	0	110.7	N430 T442 P455	N430-M453 HydrophobicContact CB-CE 3.9Å; N430-M453 HydrophobicContact CB-SD 3.79Å; T442-M453 HydrophobicContact CG2-CE 4.26Å; T442-M453 HydrophobicContact CG2-SD 3.8Å; M453-P455 WeakPolarHBondContact O-CD 3.45Å
454	I	98.8	Very high	98	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	88.1	178	-52.9	171.1	0	0	0	107	N430 G431 G432 D456 G457 D462 V474 A477	N430-I454 PolarHBondContact O-N 2.94Å; G431-I454 CarbonylContact C-O 3.44Å; G432-I454 PolarHBondContact N-O 2.78Å; I454-D456 VanDerWaalsContact C-N 3.26Å; I454-D456 PolarHBondContact O-N 3.12Å; I454-D456 VanDerWaalsContact O-N 3.12Å; I454-G457 PolarHBondContact O-N 2.87Å; I454-D462 HydrophobicContact CD1-CB 3.66Å; I454-V474 HydrophobicContact CD1-CG2 4.43Å; I454-V474 HydrophobicContact CG2-CB 3.89Å; I454-A477 HydrophobicContact CD1-CB 3.85Å; I454-A477 HydrophobicContact CG1-CB 3.77Å
455	P	98	Very high	97.9	Very high	81 Å²	81	31.2 Å²	31.2	53%	0.526	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.4	-168	-30.3	36.7	0	0	0	115	G432 M453	G432-P455 WeakPolarHBondContact CA-O 3.38Å; M453-P455 WeakPolarHBondContact O-CD 3.45Å
456	D	95.3	Very high	97.9	Very high	74 Å²	74	31.9 Å²	31.9	40%	0.396	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	8.6	-179.5	-39	-81.3	0	0	0	112.9	W307 I454 P471 S473	W307-D456 HydrophobicContact CH2-CB 4.48Å; I454-D456 VanDerWaalsContact C-N 3.26Å; I454-D456 PolarHBondContact O-N 3.12Å; I454-D456 VanDerWaalsContact O-N 3.12Å; D456-P471 HydrophobicContact CB-CB 3.93Å; D456-P471 HydrophobicContact CB-CG 3.87Å; D456-S473 PolarHBondContact OD2-OG 2.99Å
457	G	98	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.			trans	-91.5	133.5	-180	0	0	0	0	0	111.2	G431 G432 L433 I454	G431-G457 CarbonylContact C-O 3.49Å; G431-G457 WeakPolarHBondContact CA-O 3.49Å; G432-G457 PolarHBondContact N-O 3.22Å; L433-G457 WeakPolarHBondContact CB-O 3.29Å; L433-G457 PolarHBondContact N-O 3.39Å; I454-G457 PolarHBondContact O-N 2.87Å
458	A	98.1	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.			trans	-82.3	-156.3	160.4	0	0	0	0	0	110.1	M291 D293 Y294 L433 H460	M291-A458 WeakPolarHBondContact O-CB 3.33Å; D293-A458 HydrophobicContact CB-CB 4.25Å; Y294-A458 HydrophobicContact CD1-CB 4.11Å; Y294-A458 HydrophobicContact CE1-CB 4.15Å; L433-A458 HydrophobicContact CB-CB 4.43Å; A458-H460 PolarHBondContact O-N 2.78Å; A458-H460 VanDerWaalsContact O-N 3.13Å
459	H	98.4	Very high	97.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.019	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	116.1	-172.7	-160.1	60.4	0	0	0	112.1	S181 M291 Y294 D434 W436 L461	S181-H459 VanDerWaalsContact CB-NE2 3.31Å; S181-H459 WeakPolarHBondContact CB-NE2 3.07Å; S181-H459 PolarHBondContact OG-NE2 2.66Å; M291-H459 HydrophobicContact CB-CB 4.17Å; M291-H459 WeakPolarHBondContact O-CB 3.48Å; M291-H459 PolarHBondContact O-N 3.1Å; Y294-H459 WeakPolarHBondContact CE1-O 3.41Å; Y294-H459 PolarHBondContact OH-O 3.25Å; D434-H459 IonicContact OD1-CG 3.59Å; D434-H459 IonicContact OD1-ND1 3.3Å; D434-H459 PolarHBondContact OD1-ND1 3.05Å; D434-H459 VanDerWaalsContact OD1-ND1 3.08Å; D434-H459 IonicContact OD2-CE1 2.76Å; D434-H459 IonicContact OD2-CG 3.8Å; D434-H459 IonicContact OD2-ND1 2.7Å; D434-H459 PolarHBondContact OD2-ND1 2.91Å; W436-H459 AromaticContact CD1-CE1 3.44Å; W436-H459 VanDerWaalsContact CD1-CE1 3.44Å; W436-H459 AromaticContact CD1-ND1 3.6Å; W436-H459 AromaticContact CG-CE1 3.87Å; H459-L461 VanDerWaalsContact C-N 3.28Å; H459-L461 PolarHBondContact O-N 2.94Å; H459-L461 VanDerWaalsContact O-N 3.09Å
460	H	97.9	Very high	97.9	Very high	16 Å²	16	36.4 Å²	36.4	7%	0.074	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.4	46.9	179.4	58.6	53.7	0	0	0	115.3	A204 S205 F300 A458 D462 L463	A204-H460 HydrophobicContact CB-CB 3.87Å; S205-H460 VanDerWaalsContact OG-CA 3.28Å; S205-H460 WeakPolarHBondContact OG-CA 3.27Å; S205-H460 PolarHBondContact OG-N 3.11Å; F300-H460 AromaticContact CE1-CE1 3.99Å; F300-H460 AromaticContact CZ-CE1 3.84Å; F300-H460 AromaticContact CZ-NE2 3.94Å; A458-H460 PolarHBondContact O-N 2.78Å; A458-H460 VanDerWaalsContact O-N 3.13Å; H460-D462 VanDerWaalsContact CA-OD1 3.31Å; H460-D462 WeakPolarHBondContact CA-OD1 3.38Å; H460-D462 PolarHBondContact O-N 2.91Å; H460-L463 HydrophobicContact CB-CD1 4.24Å; H460-L463 HydrophobicContact CB-CG 4.36Å; H460-L463 PolarHBondContact O-N 3.48Å; H460-L463 VanDerWaalsContact O-N 3.1Å
461	L	98.8	Very high	97.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.1	-32.4	178.3	177.8	60.3	0	0	0	112.5	Y294 P295 Y296 H459 L463 R464 V474 R478	Y294-L461 HydrophobicContact CD1-CD1 3.82Å; Y294-L461 HydrophobicContact CE1-CB 4.41Å; Y294-L461 HydrophobicContact CE1-CD1 4.27Å; P295-L461 HydrophobicContact CG-CD1 4.43Å; P295-L461 HydrophobicContact CG-CD2 4.03Å; Y296-L461 HydrophobicContact CE1-CD1 4.02Å; Y296-L461 VanDerWaalsContact OH-CD1 3.26Å; Y296-L461 WeakPolarHBondContact OH-CD1 3.41Å; H459-L461 VanDerWaalsContact C-N 3.28Å; H459-L461 PolarHBondContact O-N 2.94Å; H459-L461 VanDerWaalsContact O-N 3.09Å; L461-L463 PolarHBondContact O-N 3.48Å; L461-R464 HydrophobicContact CD1-CG 4.49Å; L461-R464 PolarHBondContact O-N 3.26Å; L461-R464 VanDerWaalsContact O-N 3.17Å; L461-V474 HydrophobicContact CD2-CB 4.13Å; L461-V474 HydrophobicContact CD2-CG1 4.1Å; L461-V474 HydrophobicContact CD2-CG2 4.4Å; L461-V474 HydrophobicContact CG-CB 4.32Å; L461-V474 HydrophobicContact CG-CG1 4.41Å; L461-V474 HydrophobicContact CG-CG2 4.04Å; L461-R478 PolarHBondContact O-NH2 3.09Å
462	D	98.8	Very high	97.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32	175	54.1	-39.1	0	0	0	113.8	F107 A204 S429 I454 H460 V474 R478	F107-D462 WeakPolarHBondContact CB-O 3.49Å; A204-D462 WeakPolarHBondContact CB-OD2 3.26Å; S429-D462 VanDerWaalsContact CB-OD2 3.29Å; S429-D462 WeakPolarHBondContact CB-OD2 3.35Å; S429-D462 PolarHBondContact OG-OD2 2.94Å; I454-D462 HydrophobicContact CD1-CB 3.66Å; H460-D462 VanDerWaalsContact CA-OD1 3.31Å; H460-D462 WeakPolarHBondContact CA-OD1 3.38Å; H460-D462 PolarHBondContact O-N 2.91Å; D462-V474 HydrophobicContact CB-CG2 4.2Å; D462-R478 HydrophobicContact CB-CG 4.37Å; D462-R478 PolarHBondContact O-NE 3.22Å
463	L	98.7	Very high	97.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-77.9	-19.1	179	-67.8	-172.2	0	0	0	114.4	T105 G106 F107 I178 L202 A204 H460 L461	T105-L463 CarbonylContact C-O 3.57Å; T105-L463 VanDerWaalsContact CA-O 3.29Å; T105-L463 WeakPolarHBondContact CA-O 3.3Å; T105-L463 HydrophobicContact CG2-CB 4.24Å; T105-L463 HydrophobicContact CG2-CD2 4.39Å; G106-L463 PolarHBondContact N-O 2.9Å; F107-L463 WeakPolarHBondContact CB-O 3.18Å; F107-L463 HydrophobicContact CD1-CD2 4.44Å; F107-L463 PolarHBondContact N-O 3.49Å; I178-L463 HydrophobicContact CG2-CD2 3.81Å; L202-L463 HydrophobicContact CD2-CD2 3.82Å; A204-L463 HydrophobicContact CB-CD1 3.72Å; A204-L463 HydrophobicContact CB-CD2 4.14Å; A204-L463 HydrophobicContact CB-CG 3.68Å; H460-L463 HydrophobicContact CB-CD1 4.24Å; H460-L463 HydrophobicContact CB-CG 4.36Å; H460-L463 PolarHBondContact O-N 3.48Å; H460-L463 VanDerWaalsContact O-N 3.1Å; L461-L463 PolarHBondContact O-N 3.48Å
464	R	97.8	Very high	97.9	Very high	22 Å²	22	37.9 Å²	37.9	8%	0.083	21%	0.207	C	C	.	.	S	Bend	trans	-69.2	165.6	-177.4	-56.3	-162	70.3	78.1	9	111.9	N104 F107 Y296 L461 R478	N104-R464 PolarHBondContact OD1-NH1 2.99Å; N104-R464 PolarHBondContact OD1-NH2 3.43Å; F107-R464 PolarHBondContact N-O 2.93Å; Y296-R464 WeakPolarHBondContact OH-CB 3.46Å; L461-R464 HydrophobicContact CD1-CG 4.49Å; L461-R464 PolarHBondContact O-N 3.26Å; L461-R464 VanDerWaalsContact O-N 3.17Å; R464-R478 PolarHBondContact O-NH2 3.09Å; R464-R478 VanDerWaalsContact O-NH2 3.12Å
465	Y	96.4	Very high	97.9	Very high	30 Å²	30	44.1 Å²	44.1	12%	0.118	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-56.5	148.3	169.3	-79	-74.5	0	0	0	111.6	I48 G106 W109 E110 N467	I48-Y465 HydrophobicContact CD1-CE2 4.23Å; I48-Y465 WeakPolarHBondContact CD1-OH 3.2Å; I48-Y465 VanDerWaalsContact CG1-OH 3.25Å; I48-Y465 WeakPolarHBondContact CG1-OH 3.4Å; G106-Y465 VanDerWaalsContact CA-CG 3.46Å; G106-Y465 VanDerWaalsContact CA-CZ 3.41Å; W109-Y465 HydrophobicContact CB-CE1 4.12Å; W109-Y465 VanDerWaalsContact CD1-OH 3.24Å; E110-Y465 HydrophobicContact CG-CD1 4.42Å; Y465-N467 PolarHBondContact O-N 3.31Å
466	S	96.9	Very high	97.9	Very high	69 Å²	69	43.2 Å²	43.2	48%	0.483	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-62.5	130	170.7	-70.3	0	0	0	0	110.5	E110 D470	E110-S466 VanDerWaalsContact OE1-CB 3.24Å; E110-S466 WeakPolarHBondContact OE1-CB 3.11Å; E110-S466 PolarHBondContact OE1-N 3Å; E110-S466 PolarHBondContact OE1-OG 2.93Å; E110-S466 VanDerWaalsContact OE2-CB 3.32Å; E110-S466 WeakPolarHBondContact OE2-CB 3.42Å; E110-S466 PolarHBondContact OE2-N 3.29Å; E110-S466 PolarHBondContact OE2-OG 3.3Å; S466-D470 WeakPolarHBondContact CA-OD2 3.22Å
467	N	96.9	Very high	98.1	Very high	58 Å²	58	39.9 Å²	39.9	31%	0.31	21%	0.212	S	C	.	.			trans	-123.7	145.7	178.8	-164.1	-64.9	0	0	0	110	Y296 Y465 L469 D470	Y296-N467 HydrophobicContact CD1-CB 3.66Å; Y296-N467 HydrophobicContact CE1-CB 3.63Å; Y296-N467 HydrophobicContact CG-CB 4.17Å; Y465-N467 PolarHBondContact O-N 3.31Å; N467-L469 PolarHBondContact O-N 2.82Å; N467-L469 VanDerWaalsContact O-N 3.07Å; N467-L469 WeakPolarHBondContact OD1-CB 3.48Å; N467-L469 PolarHBondContact OD1-N 2.93Å; N467-D470 PolarHBondContact N-OD2 3.29Å; N467-D470 VanDerWaalsContact O-CB 3.24Å; N467-D470 WeakPolarHBondContact O-CB 3.19Å; N467-D470 VanDerWaalsContact O-CG 3.22Å; N467-D470 PolarHBondContact O-N 3.06Å
468	K	97.2	Very high	98.1	Very high	196 Å²	196	40.5 Å²	40.5	85%	0.852	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.4	175.1	-67.2	-178.1	-178.7	175.9	0	112.5	R475	K468-R475 PolarHBondContact O-NH2 2.85Å
469	L	97.7	Very high	98.1	Very high	86 Å²	86	42.8 Å²	42.8	45%	0.45	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	0.4	-179.5	-63.8	-179.6	0	0	0	113.9	Y296 N467 P471	Y296-L469 HydrophobicContact CD1-CB 4.31Å; N467-L469 PolarHBondContact O-N 2.82Å; N467-L469 VanDerWaalsContact O-N 3.07Å; N467-L469 WeakPolarHBondContact OD1-CB 3.48Å; N467-L469 PolarHBondContact OD1-N 2.93Å; L469-P471 WeakPolarHBondContact O-CD 3.42Å
470	D	98.3	Very high	98.1	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	25%	0.249	C	C	.	.			trans	-55.4	127.9	176	-78.8	-20.3	0	0	0	111.1	Y296 S466 N467 V474 R475 R478	Y296-D470 VanDerWaalsContact CE1-OD1 3.24Å; Y296-D470 WeakPolarHBondContact CE1-OD1 3.3Å; S466-D470 WeakPolarHBondContact CA-OD2 3.22Å; N467-D470 PolarHBondContact N-OD2 3.29Å; N467-D470 VanDerWaalsContact O-CB 3.24Å; N467-D470 WeakPolarHBondContact O-CB 3.19Å; N467-D470 VanDerWaalsContact O-CG 3.22Å; N467-D470 PolarHBondContact O-N 3.06Å; D470-V474 HydrophobicContact CB-CG1 3.7Å; D470-R475 HydrophobicContact CB-CG 3.97Å; D470-R475 VanDerWaalsContact O-CZ 3.22Å; D470-R475 PolarHBondContact O-NE 2.92Å; D470-R475 PolarHBondContact O-NH2 3.09Å; D470-R478 IonicContact OD1-NH1 2.63Å; D470-R478 IonicContact OD2-CZ 3.99Å; D470-R478 IonicContact OD2-NH1 3.96Å; D470-R478 PolarHBondContact OD2-NH1 3.36Å; D470-R478 IonicContact OD2-NH2 3.75Å
471	P	97.8	Very high	98.2	Very high	15 Å²	15	45 Å²	45	10%	0.097	25%	0.246	C	C	.	.			trans	-56.3	150.4	171.3	-27.4	34.8	0	0	0	111.7	P295 D456 L469 S473 V474 R475	P295-P471 HydrophobicContact CB-CG 4.12Å; P295-P471 VanDerWaalsContact CG-CD 3.47Å; P295-P471 HydrophobicContact CG-CG 3.98Å; D456-P471 HydrophobicContact CB-CB 3.93Å; D456-P471 HydrophobicContact CB-CG 3.87Å; L469-P471 WeakPolarHBondContact O-CD 3.42Å; P471-S473 WeakPolarHBondContact CB-OG 3.46Å; P471-S473 PolarHBondContact O-N 3.3Å; P471-S473 VanDerWaalsContact O-N 3.13Å; P471-V474 WeakPolarHBondContact O-CG1 3.27Å; P471-V474 PolarHBondContact O-N 2.97Å; P471-R475 PolarHBondContact O-N 3.42Å
472	P	98.4	Very high	98.2	Very high	107 Å²	107	45.9 Å²	45.9	70%	0.695	25%	0.25	S	S	*	.	H	α-helix	trans	-54.7	-32	174.7	-26.5	35.3	0	0	0	113.3	R475 A476	P472-R475 PolarHBondContact O-N 3.04Å; P472-A476 WeakPolarHBondContact O-CB 3.43Å; P472-A476 PolarHBondContact O-N 3.11Å
473	S	98.4	Very high	98.2	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-50.4	178.8	48.5	0	0	0	0	112.7	D456 P471 R475 A476 A477	D456-S473 PolarHBondContact OD2-OG 2.99Å; P471-S473 WeakPolarHBondContact CB-OG 3.46Å; P471-S473 PolarHBondContact O-N 3.3Å; P471-S473 VanDerWaalsContact O-N 3.13Å; S473-R475 PolarHBondContact O-N 3.23Å; S473-A476 PolarHBondContact O-N 2.81Å; S473-A477 PolarHBondContact O-N 2.96Å
474	V	98.7	Very high	98.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-35.4	178.3	67.6	0	0	0	0	112.3	I454 L461 D462 D470 P471 A476 A477 R478	I454-V474 HydrophobicContact CD1-CG2 4.43Å; I454-V474 HydrophobicContact CG2-CB 3.89Å; L461-V474 HydrophobicContact CD2-CB 4.13Å; L461-V474 HydrophobicContact CD2-CG1 4.1Å; L461-V474 HydrophobicContact CD2-CG2 4.4Å; L461-V474 HydrophobicContact CG-CB 4.32Å; L461-V474 HydrophobicContact CG-CG1 4.41Å; L461-V474 HydrophobicContact CG-CG2 4.04Å; D462-V474 HydrophobicContact CB-CG2 4.2Å; D470-V474 HydrophobicContact CB-CG1 3.7Å; P471-V474 WeakPolarHBondContact O-CG1 3.27Å; P471-V474 PolarHBondContact O-N 2.97Å; V474-A476 VanDerWaalsContact C-N 3.29Å; V474-A476 PolarHBondContact O-N 2.89Å; V474-A477 PolarHBondContact O-N 3.24Å; V474-R478 HydrophobicContact CG2-CG 4.31Å; V474-R478 WeakPolarHBondContact O-CG 3.45Å; V474-R478 PolarHBondContact O-N 3.41Å
475	R	98.6	Very high	98.2	Very high	132 Å²	132	53.3 Å²	53.3	50%	0.498	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-40.4	175.3	-60.9	-179.3	-159.3	-166.6	-0.1	111.3	K468 D470 P471 P472 S473 A479	K468-R475 PolarHBondContact O-NH2 2.85Å; D470-R475 HydrophobicContact CB-CG 3.97Å; D470-R475 VanDerWaalsContact O-CZ 3.22Å; D470-R475 PolarHBondContact O-NE 2.92Å; D470-R475 PolarHBondContact O-NH2 3.09Å; P471-R475 PolarHBondContact O-N 3.42Å; P472-R475 PolarHBondContact O-N 3.04Å; S473-R475 PolarHBondContact O-N 3.23Å; R475-A479 WeakPolarHBondContact O-CB 3.28Å; R475-A479 PolarHBondContact O-N 3.28Å; R475-A479 VanDerWaalsContact O-N 3.14Å
476	A	98.6	Very high	98.3	Very high	62 Å²	62	54.1 Å²	54.1	51%	0.512	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-40.6	175.9	0	0	0	0	0	112.1	P472 S473 V474 A479 L480	P472-A476 WeakPolarHBondContact O-CB 3.43Å; P472-A476 PolarHBondContact O-N 3.11Å; S473-A476 PolarHBondContact O-N 2.81Å; V474-A476 VanDerWaalsContact C-N 3.29Å; V474-A476 PolarHBondContact O-N 2.89Å; A476-A479 PolarHBondContact O-N 2.71Å; A476-L480 WeakPolarHBondContact O-CB 3.48Å; A476-L480 PolarHBondContact O-N 3.17Å
477	A	98.8	Very high	98.4	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-54.7	175.6	0	0	0	0	0	111.8	I452 I454 S473 V474 A479 L480 E481	I452-A477 HydrophobicContact CG2-CB 3.59Å; I454-A477 HydrophobicContact CD1-CB 3.85Å; I454-A477 HydrophobicContact CG1-CB 3.77Å; S473-A477 PolarHBondContact O-N 2.96Å; V474-A477 PolarHBondContact O-N 3.24Å; A477-A479 VanDerWaalsContact C-N 3.29Å; A477-A479 PolarHBondContact O-N 3.47Å; A477-L480 CarbonylContact O-C 3.55Å; A477-L480 WeakPolarHBondContact O-CA 3.28Å; A477-L480 WeakPolarHBondContact O-CB 3.42Å; A477-L480 PolarHBondContact O-N 2.96Å; A477-E481 WeakPolarHBondContact O-CG 3.37Å; A477-E481 PolarHBondContact O-N 2.03Å
478	R	98.9	Very high	98.5	Very high	14 Å²	14	52.1 Å²	52.1	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-55.8	-41.4	176.7	-73	-179.5	-174.8	147.4	7.9	113	F107 L461 D462 R464 D470 V474 L480 E481 L482	F107-R478 HydrophobicContact CD2-CB 4.16Å; F107-R478 HydrophobicContact CD2-CG 3.82Å; F107-R478 HydrophobicContact CE2-CB 3.65Å; F107-R478 HydrophobicContact CE2-CG 3.79Å; F107-R478 HydrophobicContact CZ-CB 4.33Å; F107-R478 HydrophobicContact CZ-CG 4.48Å; L461-R478 PolarHBondContact O-NH2 3.09Å; D462-R478 HydrophobicContact CB-CG 4.37Å; D462-R478 PolarHBondContact O-NE 3.22Å; R464-R478 PolarHBondContact O-NH2 3.09Å; R464-R478 VanDerWaalsContact O-NH2 3.12Å; D470-R478 IonicContact OD1-NH1 2.63Å; D470-R478 IonicContact OD2-CZ 3.99Å; D470-R478 IonicContact OD2-NH1 3.96Å; D470-R478 PolarHBondContact OD2-NH1 3.36Å; D470-R478 IonicContact OD2-NH2 3.75Å; V474-R478 HydrophobicContact CG2-CG 4.31Å; V474-R478 WeakPolarHBondContact O-CG 3.45Å; V474-R478 PolarHBondContact O-N 3.41Å; R478-L480 VanDerWaalsContact C-N 3.3Å; R478-L480 PolarHBondContact O-N 3.18Å; R478-E481 WeakPolarHBondContact CA-OE2 3.43Å; R478-E481 PolarHBondContact O-N 3.31Å; R478-L482 WeakPolarHBondContact O-CB 3.3Å; R478-L482 PolarHBondContact O-N 2.85Å
479	A	98.7	Very high	98.5	Very high	47 Å²	47	43 Å²	43	39%	0.388	23%	0.227	S	C	.	.	H	α-helix	trans	-65.4	-33.5	176.1	0	0	0	0	0	112.7	R475 A476 A477 K483	R475-A479 WeakPolarHBondContact O-CB 3.28Å; R475-A479 PolarHBondContact O-N 3.28Å; R475-A479 VanDerWaalsContact O-N 3.14Å; A476-A479 PolarHBondContact O-N 2.71Å; A477-A479 VanDerWaalsContact C-N 3.29Å; A477-A479 PolarHBondContact O-N 3.47Å; A479-K483 WeakPolarHBondContact O-CG 3.12Å; A479-K483 PolarHBondContact O-N 3.07Å
480	L	98.8	Very high	98.4	Very high	67 Å²	67	43.9 Å²	43.9	35%	0.351	22%	0.224	S	C	.	.	H	α-helix	trans	-75.6	-41.7	176.2	-178.7	57.2	0	0	0	111.8	I452 A476 A477 R478 L482 K483 Y484	I452-L480 HydrophobicContact CD1-CB 4.27Å; I452-L480 HydrophobicContact CD1-CD2 3.79Å; I452-L480 HydrophobicContact CD1-CG 3.91Å; I452-L480 HydrophobicContact CG1-CD2 4.09Å; A476-L480 WeakPolarHBondContact O-CB 3.48Å; A476-L480 PolarHBondContact O-N 3.17Å; A477-L480 CarbonylContact O-C 3.55Å; A477-L480 WeakPolarHBondContact O-CA 3.28Å; A477-L480 WeakPolarHBondContact O-CB 3.42Å; A477-L480 PolarHBondContact O-N 2.96Å; R478-L480 VanDerWaalsContact C-N 3.3Å; R478-L480 PolarHBondContact O-N 3.18Å; L480-L482 PolarHBondContact O-N 2.93Å; L480-K483 WeakPolarHBondContact O-CB 3.46Å; L480-K483 PolarHBondContact O-N 2.92Å; L480-K483 VanDerWaalsContact O-N 3.14Å; L480-Y484 HydrophobicContact CD1-CD2 4.18Å; L480-Y484 HydrophobicContact CD1-CE2 3.69Å; L480-Y484 HydrophobicContact CD2-CE2 4.31Å; L480-Y484 HydrophobicContact CG-CD2 4.12Å; L480-Y484 HydrophobicContact CG-CE2 3.73Å; L480-Y484 VanDerWaalsContact O-CD2 3.25Å; L480-Y484 WeakPolarHBondContact O-CD2 3.41Å; L480-Y484 PolarHBondContact O-N 3.42Å; L480-Y484 VanDerWaalsContact O-N 3.1Å
481	E	98.9	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.4	-49.1	173.1	-71.5	152.9	-158.5	0	0	111.1	F107 L202 I427 I452 A477 R478 K483 Y484 F485	F107-E481 HydrophobicContact CE1-CB 4.34Å; F107-E481 HydrophobicContact CZ-CB 4.06Å; L202-E481 HydrophobicContact CD1-CG 4.05Å; L202-E481 HydrophobicContact CD2-CG 4.37Å; I427-E481 HydrophobicContact CD1-CB 4.44Å; I427-E481 HydrophobicContact CD1-CG 4.32Å; I427-E481 HydrophobicContact CG2-CG 4.31Å; I452-E481 HydrophobicContact CD1-CG 3.93Å; A477-E481 WeakPolarHBondContact O-CG 3.37Å; A477-E481 PolarHBondContact O-N 2.03Å; R478-E481 WeakPolarHBondContact CA-OE2 3.43Å; R478-E481 PolarHBondContact O-N 3.31Å; E481-K483 VanDerWaalsContact C-N 3.28Å; E481-K483 PolarHBondContact O-N 3.14Å; E481-Y484 WeakPolarHBondContact O-CB 3.06Å; E481-Y484 PolarHBondContact O-N 3.35Å; E481-F485 WeakPolarHBondContact O-CD1 3.37Å; E481-F485 WeakPolarHBondContact O-CG 3.39Å; E481-F485 PolarHBondContact O-N 3.36Å
482	L	98.8	Very high	98.1	Very high	20 Å²	20	48 Å²	48	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-39	176.2	179.8	60.1	0	0	0	112.2	V111 Q114 L115 R478 L480 Y484 F485 Q486	V111-L482 HydrophobicContact CB-CD1 4.12Å; V111-L482 HydrophobicContact CG1-CD1 4.03Å; Q114-L482 VanDerWaalsContact OE1-CD2 3.25Å; L115-L482 HydrophobicContact CD1-CD1 3.92Å; L115-L482 HydrophobicContact CD2-CD1 3.71Å; L115-L482 HydrophobicContact CG-CD1 3.78Å; R478-L482 WeakPolarHBondContact O-CB 3.3Å; R478-L482 PolarHBondContact O-N 2.85Å; L480-L482 PolarHBondContact O-N 2.93Å; L482-Y484 VanDerWaalsContact C-N 3.33Å; L482-Y484 PolarHBondContact O-N 3.41Å; L482-F485 PolarHBondContact O-N 3.25Å; L482-Q486 HydrophobicContact CD1-CG 4.33Å; L482-Q486 WeakPolarHBondContact O-CB 3.45Å; L482-Q486 VanDerWaalsContact O-CG 3.26Å; L482-Q486 WeakPolarHBondContact O-CG 3.21Å; L482-Q486 PolarHBondContact O-N 2.9Å
483	K	98.6	Very high	97.7	Very high	135 Å²	135	43.5 Å²	43.5	59%	0.587	22%	0.215	S	C	*	.	H	α-helix	trans	-62.6	-39.7	176	-77	171.8	-177.8	175	0	112.1	A479 L480 E481 K487	A479-K483 WeakPolarHBondContact O-CG 3.12Å; A479-K483 PolarHBondContact O-N 3.07Å; L480-K483 WeakPolarHBondContact O-CB 3.46Å; L480-K483 PolarHBondContact O-N 2.92Å; L480-K483 VanDerWaalsContact O-N 3.14Å; E481-K483 VanDerWaalsContact C-N 3.28Å; E481-K483 PolarHBondContact O-N 3.14Å; K483-K487 WeakPolarHBondContact O-CB 3.21Å; K483-K487 PolarHBondContact O-N 3.01Å
484	Y	98.8	Very high	97.1	Very high	47 Å²	47	50.2 Å²	50.2	18%	0.184	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-43.7	174.6	-79.1	-66.2	0	0	0	111.7	I427 V450 L480 E481 L482 Q486 K487 W488	I427-Y484 HydrophobicContact CD1-CD2 3.89Å; I427-Y484 HydrophobicContact CD1-CG 4.03Å; I427-Y484 HydrophobicContact CG1-CD2 3.93Å; I427-Y484 HydrophobicContact CG1-CG 4.22Å; V450-Y484 HydrophobicContact CG2-CD2 4.42Å; V450-Y484 HydrophobicContact CG2-CE1 4.38Å; V450-Y484 HydrophobicContact CG2-CE2 3.79Å; L480-Y484 HydrophobicContact CD1-CD2 4.18Å; L480-Y484 HydrophobicContact CD1-CE2 3.69Å; L480-Y484 HydrophobicContact CD2-CE2 4.31Å; L480-Y484 HydrophobicContact CG-CD2 4.12Å; L480-Y484 HydrophobicContact CG-CE2 3.73Å; L480-Y484 VanDerWaalsContact O-CD2 3.25Å; L480-Y484 WeakPolarHBondContact O-CD2 3.41Å; L480-Y484 PolarHBondContact O-N 3.42Å; L480-Y484 VanDerWaalsContact O-N 3.1Å; E481-Y484 WeakPolarHBondContact O-CB 3.06Å; E481-Y484 PolarHBondContact O-N 3.35Å; L482-Y484 VanDerWaalsContact C-N 3.33Å; L482-Y484 PolarHBondContact O-N 3.41Å; Y484-Q486 VanDerWaalsContact C-N 3.35Å; Y484-Q486 PolarHBondContact O-N 3.06Å; Y484-K487 WeakPolarHBondContact O-CA 3.42Å; Y484-K487 WeakPolarHBondContact O-CB 3.26Å; Y484-K487 PolarHBondContact O-N 3.42Å; Y484-W488 HydrophobicContact CD1-CZ2 4.16Å; Y484-W488 HydrophobicContact CG-CZ2 4.3Å; Y484-W488 VanDerWaalsContact O-CG 3.3Å; Y484-W488 PolarHBondContact O-N 2.82Å
485	F	98.8	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-51.1	176.2	-69.9	3.3	0	0	0	110.8	F107 L115 I176 I178 L202 I427 E481 L482 K487 W488 I489	F107-F485 HydrophobicContact CE1-CE2 4.02Å; F107-F485 HydrophobicContact CE1-CZ 4.46Å; L115-F485 HydrophobicContact CD1-CB 4.15Å; L115-F485 HydrophobicContact CD1-CD2 4.03Å; I176-F485 HydrophobicContact CD1-CB 3.54Å; I176-F485 HydrophobicContact CD1-CD1 3.77Å; I176-F485 HydrophobicContact CD1-CD2 4.19Å; I176-F485 HydrophobicContact CD1-CG 3.57Å; I176-F485 HydrophobicContact CG2-CD1 4.01Å; I176-F485 HydrophobicContact CG2-CE1 3.73Å; I176-F485 HydrophobicContact CG2-CZ 4Å; I178-F485 HydrophobicContact CD1-CE2 3.79Å; I178-F485 HydrophobicContact CD1-CZ 3.88Å; I178-F485 HydrophobicContact CG1-CZ 4.13Å; L202-F485 HydrophobicContact CB-CE1 3.88Å; L202-F485 HydrophobicContact CB-CZ 3.7Å; L202-F485 HydrophobicContact CD2-CZ 3.85Å; L202-F485 HydrophobicContact CG-CZ 4.41Å; I427-F485 HydrophobicContact CD1-CD1 4.43Å; I427-F485 HydrophobicContact CD1-CE1 4.09Å; E481-F485 WeakPolarHBondContact O-CD1 3.37Å; E481-F485 WeakPolarHBondContact O-CG 3.39Å; E481-F485 PolarHBondContact O-N 3.36Å; L482-F485 PolarHBondContact O-N 3.25Å; F485-K487 VanDerWaalsContact C-N 3.28Å; F485-K487 PolarHBondContact O-N 3.24Å; F485-W488 HydrophobicContact CD1-CE3 4.08Å; F485-W488 AromaticContact CD1-CZ3 3.88Å; F485-W488 HydrophobicContact CD1-CZ3 3.88Å; F485-W488 HydrophobicContact CE1-CZ3 4.08Å; F485-W488 PolarHBondContact O-N 3.41Å; F485-I489 WeakPolarHBondContact O-CB 3.03Å; F485-I489 WeakPolarHBondContact O-CD1 3.48Å; F485-I489 VanDerWaalsContact O-CG1 3.23Å; F485-I489 WeakPolarHBondContact O-CG1 3.46Å; F485-I489 PolarHBondContact O-N 3.26Å
486	Q	98.5	Very high	94.9	Very high	47 Å²	47	51.9 Å²	51.9	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-58.1	-38	175.5	-72.2	178	-1.8	0	0	112.8	L115 L482 Y484 R490 M502	L115-Q486 HydrophobicContact CD2-CG 3.6Å; L482-Q486 HydrophobicContact CD1-CG 4.33Å; L482-Q486 WeakPolarHBondContact O-CB 3.45Å; L482-Q486 VanDerWaalsContact O-CG 3.26Å; L482-Q486 WeakPolarHBondContact O-CG 3.21Å; L482-Q486 PolarHBondContact O-N 2.9Å; Y484-Q486 VanDerWaalsContact C-N 3.35Å; Y484-Q486 PolarHBondContact O-N 3.06Å; Q486-R490 WeakPolarHBondContact O-CB 3.36Å; Q486-R490 VanDerWaalsContact O-CG 3.27Å; Q486-R490 WeakPolarHBondContact O-CG 3.5Å; Q486-R490 PolarHBondContact O-N 3.36Å; Q486-R490 VanDerWaalsContact O-N 3.15Å; Q486-R490 PolarHBondContact O-NE 2.89Å; Q486-M502 HydrophobicContact CB-CE 3.93Å; Q486-M502 HydrophobicContact CG-CE 3.91Å; Q486-M502 HydrophobicContact CG-SD 4.3Å
487	K	98.2	Very high	93.1	Very high	83 Å²	83	52.2 Å²	52.2	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-51	176.5	178	-175.7	174.1	-174.4	0	110.9	K483 Y484 F485 R490 Q491	K483-K487 WeakPolarHBondContact O-CB 3.21Å; K483-K487 PolarHBondContact O-N 3.01Å; Y484-K487 WeakPolarHBondContact O-CA 3.42Å; Y484-K487 WeakPolarHBondContact O-CB 3.26Å; Y484-K487 PolarHBondContact O-N 3.42Å; F485-K487 VanDerWaalsContact C-N 3.28Å; F485-K487 PolarHBondContact O-N 3.24Å; K487-R490 PolarHBondContact O-N 3.17Å; K487-Q491 VanDerWaalsContact O-CG 3.29Å; K487-Q491 WeakPolarHBondContact O-CG 3.3Å; K487-Q491 PolarHBondContact O-N 3.37Å
488	W	98.5	Very high	91.2	Very high	2 Å²	2	54 Å²	54	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-40.3	-177.1	-57.8	-33.5	0	0	0	112.3	I176 V199 N425 I427 Y484 F485 Q491 A492	I176-W488 HydrophobicContact CD1-CE3 4.41Å; V199-W488 HydrophobicContact CG2-CB 4.15Å; N425-W488 VanDerWaalsContact C-CZ2 3.4Å; N425-W488 VanDerWaalsContact CA-CZ2 3.44Å; N425-W488 HydrophobicContact CB-CD2 3.97Å; N425-W488 HydrophobicContact CB-CG 4.25Å; N425-W488 HydrophobicContact CB-CH2 4.44Å; N425-W488 HydrophobicContact CB-CZ2 3.81Å; N425-W488 VanDerWaalsContact CG-CD1 3.48Å; N425-W488 VanDerWaalsContact CG-NE1 3.31Å; N425-W488 WeakPolarHBondContact O-CH2 3.47Å; N425-W488 PolarHBondContact OD1-NE1 2.92Å; I427-W488 HydrophobicContact CD1-CH2 3.56Å; I427-W488 HydrophobicContact CD1-CZ2 4.37Å; I427-W488 HydrophobicContact CD1-CZ3 4.03Å; I427-W488 HydrophobicContact CG1-CH2 3.71Å; I427-W488 HydrophobicContact CG1-CZ2 4.28Å; Y484-W488 HydrophobicContact CD1-CZ2 4.16Å; Y484-W488 HydrophobicContact CG-CZ2 4.3Å; Y484-W488 VanDerWaalsContact O-CG 3.3Å; Y484-W488 PolarHBondContact O-N 2.82Å; F485-W488 HydrophobicContact CD1-CE3 4.08Å; F485-W488 AromaticContact CD1-CZ3 3.88Å; F485-W488 HydrophobicContact CD1-CZ3 3.88Å; F485-W488 HydrophobicContact CE1-CZ3 4.08Å; F485-W488 PolarHBondContact O-N 3.41Å; W488-Q491 PolarHBondContact O-N 3.44Å; W488-A492 WeakPolarHBondContact O-CB 3.4Å; W488-A492 PolarHBondContact O-N 3.25Å
489	I	97.9	Very high	88.7	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-58.8	-49.9	174.5	-69.8	161.8	0	0	0	110.6	P87 L115 P174 I176 F485 Q491 A492 Q493	P87-I489 HydrophobicContact CB-CD1 3.68Å; P87-I489 HydrophobicContact CB-CG1 3.98Å; P87-I489 HydrophobicContact CG-CD1 3.87Å; L115-I489 HydrophobicContact CD1-CD1 4.3Å; L115-I489 HydrophobicContact CD2-CD1 3.98Å; P174-I489 HydrophobicContact CG-CB 4.37Å; P174-I489 HydrophobicContact CG-CG1 4.23Å; P174-I489 HydrophobicContact CG-CG2 3.94Å; I176-I489 HydrophobicContact CD1-CD1 3.88Å; I176-I489 HydrophobicContact CD1-CG1 3.98Å; F485-I489 WeakPolarHBondContact O-CB 3.03Å; F485-I489 WeakPolarHBondContact O-CD1 3.48Å; F485-I489 VanDerWaalsContact O-CG1 3.23Å; F485-I489 WeakPolarHBondContact O-CG1 3.46Å; F485-I489 PolarHBondContact O-N 3.26Å; I489-Q491 VanDerWaalsContact C-N 3.32Å; I489-Q491 PolarHBondContact O-N 3.02Å; I489-A492 PolarHBondContact O-N 3.13Å; I489-Q493 WeakPolarHBondContact O-CG 3.37Å; I489-Q493 PolarHBondContact O-N 3.01Å
490	R	96.6	Very high	86.5	Confident	104 Å²	104	58.8 Å²	58.8	39%	0.392	32%	0.321	S	S	.	.	H	α-helix	trans	-62.3	-37.9	177.7	-74.9	-175.7	-60.1	-109	-4.8	112.8	Q486 K487 K494 M502	Q486-R490 WeakPolarHBondContact O-CB 3.36Å; Q486-R490 VanDerWaalsContact O-CG 3.27Å; Q486-R490 WeakPolarHBondContact O-CG 3.5Å; Q486-R490 PolarHBondContact O-N 3.36Å; Q486-R490 VanDerWaalsContact O-N 3.15Å; Q486-R490 PolarHBondContact O-NE 2.89Å; K487-R490 PolarHBondContact O-N 3.17Å; R490-K494 VanDerWaalsContact O-CG 3.32Å; R490-K494 WeakPolarHBondContact O-CG 3.42Å; R490-K494 PolarHBondContact O-N 3.37Å; R490-K494 VanDerWaalsContact O-N 3.17Å; R490-M502 HydrophobicContact CG-CE 4.13Å
491	Q	95.6	Very high	84.1	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-45.5	177.7	-75.7	172.8	-27.1	0	0	111	K487 W488 I489 K494 S495	K487-Q491 VanDerWaalsContact O-CG 3.29Å; K487-Q491 WeakPolarHBondContact O-CG 3.3Å; K487-Q491 PolarHBondContact O-N 3.37Å; W488-Q491 PolarHBondContact O-N 3.44Å; I489-Q491 VanDerWaalsContact C-N 3.32Å; I489-Q491 PolarHBondContact O-N 3.02Å; Q491-K494 PolarHBondContact O-N 3.02Å; Q491-S495 PolarHBondContact O-N 2.76Å; Q491-S495 VanDerWaalsContact O-N 3.13Å; Q491-S495 PolarHBondContact O-OG 2.87Å
492	A	94.1	Very high	81.8	Confident	16 Å²	16	64.1 Å²	64.1	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-45.5	178.3	0	0	0	0	0	112.4	P174 V199 W488 I489 K494 S495 T496	P174-A492 HydrophobicContact CB-CB 3.8Å; V199-A492 HydrophobicContact CB-CB 4.32Å; V199-A492 HydrophobicContact CG1-CB 3.68Å; W488-A492 WeakPolarHBondContact O-CB 3.4Å; W488-A492 PolarHBondContact O-N 3.25Å; I489-A492 PolarHBondContact O-N 3.13Å; A492-K494 VanDerWaalsContact C-N 3.27Å; A492-K494 PolarHBondContact O-N 3.48Å; A492-S495 WeakPolarHBondContact CA-OG 3.31Å; A492-S495 PolarHBondContact O-N 2.86Å; A492-S495 VanDerWaalsContact O-N 3.14Å; A492-S495 PolarHBondContact O-OG 3.27Å; A492-T496 PolarHBondContact O-N 3.32Å; A492-T496 VanDerWaalsContact O-N 3.16Å; A492-T496 PolarHBondContact O-OG1 2.72Å
493	Q	88.6	Confident	79.1	Confident	11 Å²	11	67.7 Å²	67.7	5%	0.051	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-30.9	178	-72.1	173.6	-24.8	0	0	113.1	P174 I489 T496 G497 T498	P174-Q493 HydrophobicContact CG-CG 4.46Å; I489-Q493 WeakPolarHBondContact O-CG 3.37Å; I489-Q493 PolarHBondContact O-N 3.01Å; Q493-T496 WeakPolarHBondContact CA-OG1 3.34Å; Q493-T496 PolarHBondContact O-OG1 3.2Å; Q493-G497 PolarHBondContact O-N 3.02Å; Q493-T498 PolarHBondContact O-N 2.88Å; Q493-T498 VanDerWaalsContact O-N 3.13Å
494	K	87.3	Confident	76.4	Confident	168 Å²	168	70.1 Å²	70.1	73%	0.73	39%	0.391	S	S	*	.	H	α-helix	trans	-69.5	-41.2	173	-77	179	179.8	-171.1	0	111.9	R490 Q491 A492 T496 G497	R490-K494 VanDerWaalsContact O-CG 3.32Å; R490-K494 WeakPolarHBondContact O-CG 3.42Å; R490-K494 PolarHBondContact O-N 3.37Å; R490-K494 VanDerWaalsContact O-N 3.17Å; Q491-K494 PolarHBondContact O-N 3.02Å; A492-K494 VanDerWaalsContact C-N 3.27Å; A492-K494 PolarHBondContact O-N 3.48Å; K494-T496 VanDerWaalsContact C-N 3.28Å; K494-T496 PolarHBondContact O-N 3.36Å; K494-G497 PolarHBondContact O-N 2.98Å
495	S	77.7	Confident	73.5	Confident	101 Å²	101	75.3 Å²	75.3	71%	0.706	42%	0.422	S	S	*	.	H	α-helix	trans	-67.2	-27.1	178.6	51.1	0	0	0	0	113.8	Q491 A492	Q491-S495 PolarHBondContact O-N 2.76Å; Q491-S495 VanDerWaalsContact O-N 3.13Å; Q491-S495 PolarHBondContact O-OG 2.87Å; A492-S495 WeakPolarHBondContact CA-OG 3.31Å; A492-S495 PolarHBondContact O-N 2.86Å; A492-S495 VanDerWaalsContact O-N 3.14Å; A492-S495 PolarHBondContact O-OG 3.27Å
496	T	71.9	Confident	70.7	Confident	66 Å²	66	85.6 Å²	85.6	41%	0.405	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-3.6	178.3	53.2	0	0	0	0	113.7	A492 Q493 K494 T498	A492-T496 PolarHBondContact O-N 3.32Å; A492-T496 VanDerWaalsContact O-N 3.16Å; A492-T496 PolarHBondContact O-OG1 2.72Å; Q493-T496 WeakPolarHBondContact CA-OG1 3.34Å; Q493-T496 PolarHBondContact O-OG1 3.2Å; K494-T496 VanDerWaalsContact C-N 3.28Å; K494-T496 PolarHBondContact O-N 3.36Å; T496-T498 PolarHBondContact O-N 3.15Å; T496-T498 PolarHBondContact OG1-OG1 3.21Å
497	G	61.6	Low	67.9	Low	69 Å²	69	93 Å²	93	71%	0.711	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	11	-177.1	0	0	0	0	0	114.8	Q493 K494	Q493-G497 PolarHBondContact O-N 3.02Å; K494-G497 PolarHBondContact O-N 2.98Å
498	T	58.6	Low	65	Low	40 Å²	40	95.8 Å²	95.8	25%	0.245	51%	0.511	C	S	.	.			trans	-102.7	39.3	-172.5	59	0	0	0	0	113	N172 Q493 T496 F500	N172-T498 HydrophobicContact CB-CG2 4.42Å; Q493-T498 PolarHBondContact O-N 2.88Å; Q493-T498 VanDerWaalsContact O-N 3.13Å; T496-T498 PolarHBondContact O-N 3.15Å; T496-T498 PolarHBondContact OG1-OG1 3.21Å; T498-F500 PolarHBondContact O-N 3.46Å; T498-F500 VanDerWaalsContact O-N 3.08Å
499	G	47.6	Very low	61.9	Low	65 Å²	65	100.6 Å²	100.6	67%	0.67	55%	0.545	S	S	*	.			trans	-52.7	113.3	-169.5	0	0	0	0	0	114.5
500	F	52.5	Low	59.4	Low	97 Å²	97	110 Å²	110	43%	0.425	61%	0.606	S	S	.	*			trans	-99.1	143.1	171.1	-169.8	-97	0	0	0	110.6	T498	T498-F500 PolarHBondContact O-N 3.46Å; T498-F500 VanDerWaalsContact O-N 3.08Å
501	T	47	Very low	57.5	Low	127 Å²	127	110.4 Å²	110.4	78%	0.779	62%	0.617	S	S	*	*			trans	-94.8	105.1	177.6	-42.7	0	0	0	0	108.5	S503	T501-S503 PolarHBondContact O-N 3.23Å
502	M	51.8	Low	55.5	Low	53 Å²	53	111.3 Å²	111.3	26%	0.261	63%	0.627	S	S	.	*			trans	-58	130.3	174.7	-74.7	-157.6	-71.4	0	0	110.5	Q486 R490 K504	Q486-M502 HydrophobicContact CB-CE 3.93Å; Q486-M502 HydrophobicContact CG-CE 3.91Å; Q486-M502 HydrophobicContact CG-SD 4.3Å; R490-M502 HydrophobicContact CG-CE 4.13Å; M502-K504 PolarHBondContact O-N 3.04Å; M502-K504 VanDerWaalsContact O-N 3.13Å
503	S	41.9	Very low	53.4	Low	95 Å²	95	116.6 Å²	116.6	66%	0.664	65%	0.654	S	S	*	*			trans	-54.5	116	-179.4	179	0	0	0	0	110.9	T501 N505	T501-S503 PolarHBondContact O-N 3.23Å; S503-N505 PolarHBondContact O-N 3.47Å
504	K	41.5	Very low	51.3	Low	185 Å²	185	122.8 Å²	122.8	80%	0.804	69%	0.69	S	S	*	*			trans	-74.4	107.2	164	-79	-177.8	177.4	178.5	0	107	M502 R506	M502-K504 PolarHBondContact O-N 3.04Å; M502-K504 VanDerWaalsContact O-N 3.13Å; K504-R506 VanDerWaalsContact C-N 3.27Å; K504-R506 PolarHBondContact O-N 3.04Å
505	N	38	Very low	49	Very low	157 Å²	157	120 Å²	120	84%	0.84	69%	0.687	S	S	*	*			trans	-60.1	92.8	162.9	-90.5	-18.5	0	0	0	109.3	S503 K507	S503-N505 PolarHBondContact O-N 3.47Å; N505-K507 PolarHBondContact O-N 3.2Å
506	R	39.5	Very low	47.1	Very low	216 Å²	216	121.3 Å²	121.3	82%	0.815	69%	0.686	S	S	*	*			trans	-75.7	96.6	161.2	-79.7	-173.1	-178.7	-169.6	0.7	107.3	K504 N508	K504-R506 VanDerWaalsContact C-N 3.27Å; K504-R506 PolarHBondContact O-N 3.04Å; R506-N508 PolarHBondContact O-N 3.12Å
507	K	39.9	Very low	45.4	Very low	203 Å²	203	125.2 Å²	125.2	88%	0.883	71%	0.706	S	S	*	*			trans	-79.6	99.7	150.3	-80.6	-172.6	176.4	-177.6	0	106.9	N505	N505-K507 PolarHBondContact O-N 3.2Å
508	N	36.3	Very low	44.1	Very low	140 Å²	140	129.5 Å²	129.5	75%	0.749	71%	0.706	S	S	*	*			trans	-84.8	126.7	156.3	-87.5	-3.2	0	0	0	107.3	R506	R506-N508 PolarHBondContact O-N 3.12Å
509	S	34	Very low	42.9	Very low	104 Å²	104	137 Å²	137	73%	0.727	74%	0.744	S	S	*	*			trans	-61.2	169.6	162.7	-44.8	0	0	0	0	111
510	P	44.9	Very low	42.5	Very low	202 Å²	202	143.5 Å²	143.5	100%	1.312	75%	0.751	S	S	*	*				-96.4	0	107.7	23.7	-31.7	0	0	0	112.6

Retrieved 510 of 510 residues in 157.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).