A0A096NX25_PAPAN Loading...

mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Cap-specific adenosine methyltransferase that catalyzes formation of N(6),2'-O-dimethyladenosine cap (m6A(m)) by methylating the adenosine at the second transcribed position of capped mRNAs. Recruited to the early elongation complex of RNA polymerase II (RNAPII) via interaction with POLR2A and mediates formation of m6A(m) co-transcriptionally.

AlphaFold DB , UniProt , Accession A0A096NX25, Species PAPAN (Papio anubis, Olive baboon), Gene PCIF1, Length 704 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	30.8	Very low	250 Å²	250	142.5 Å²	142.5	100%	1.232	78%	0.779	S	S	*	*				0	133.2	0	-75.2	-176.7	-176.9	0	0	107.4
2	A	28.5	Very low	30.6	Very low	94 Å²	94	145.7 Å²	145.7	78%	0.777	78%	0.784	S	S	*	*			trans	-44.7	152.1	-170.8	0	0	0	0	0	114.8
3	N	29.8	Very low	30.3	Very low	160 Å²	160	142.4 Å²	142.4	86%	0.856	79%	0.789	S	S	*	*				-157.5	141.5	58.2	-130.5	4.9	0	0	0	114
4	E	33.5	Very low	30.1	Very low	160 Å²	160	140.1 Å²	140.1	75%	0.748	79%	0.788	S	S	*	*			trans	-72.5	170.6	166.6	-48.9	177.5	123.2	0	0	109.7
5	N	32.2	Very low	29.9	Very low	105 Å²	105	141.1 Å²	141.1	56%	0.561	79%	0.79	S	S	*	*				-178.5	149.4	51.2	-125.7	-13.7	0	0	0	114
6	H	31.6	Very low	29.7	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.787	79%	0.789	S	S	*	*			trans	49	143.1	145.2	-61.4	-43.3	0	0	0	123.3
7	G	24.2	Very low	29.4	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	78%	0.775	S	S	*	*			cis	176.7	145.9	1.7	0	0	0	0	0	113.8
8	S	24.7	Very low	29.3	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	78%	0.778	S	S	*	*				36.9	168.9	130	-66.5	0	0	0	0	124.1
9	P	47.2	Very low	29.3	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	78%	0.778	S	S	*	*			cis	-145.5	-165.9	-35.4	38.9	-18.9	0	0	0	115.1
10	R	28.6	Very low	29.3	Very low	204 Å²	204	138.3 Å²	138.3	77%	0.77	78%	0.782	S	S	*	*			trans	87.5	146	153.3	-81.7	-176.9	153.4	173.7	-9.2	119.1
11	E	28	Very low	29.1	Very low	130 Å²	130	135.3 Å²	135.3	61%	0.607	78%	0.782	S	S	*	*			cis	-166.9	154.7	-6.3	-128.2	158.9	-159.4	0	0	107.9
12	E	27.8	Very low	29	Very low	180 Å²	180	130.5 Å²	130.5	84%	0.841	77%	0.767	S	S	*	*			trans	23.8	136.8	149.9	-74.6	178	161.2	0	0	124.5
13	A	26.9	Very low	28.9	Very low	103 Å²	103	131.9 Å²	131.9	85%	0.851	77%	0.771	S	S	*	*				152.1	135.2	113.7	0	0	0	0	0	114
14	S	26.7	Very low	28.7	Very low	110 Å²	110	132.3 Å²	132.3	77%	0.769	77%	0.773	S	S	*	*			trans	-75.4	164.5	177.2	-43.3	0	0	0	0	113.5
15	L	27.4	Very low	28.5	Very low	156 Å²	156	134.3 Å²	134.3	82%	0.817	78%	0.783	S	S	*	*				160.2	120.4	129.1	-81.7	163.6	0	0	0	114.2
16	L	26.4	Very low	28.3	Very low	147 Å²	147	134.5 Å²	134.5	77%	0.77	79%	0.792	S	S	*	*				36.2	122.6	129.7	-73.5	165.6	0	0	0	123.5
17	S	24.7	Very low	28.1	Very low	79 Å²	79	135 Å²	135	55%	0.552	80%	0.795	S	S	*	*				49.2	126.8	128.6	66.5	0	0	0	0	123
18	H	27.3	Very low	28.4	Very low	179 Å²	179	137.6 Å²	137.6	83%	0.829	80%	0.799	S	S	*	*				156.2	147.2	111.4	-84.2	-65	0	0	0	113.5
19	S	29.2	Very low	28.9	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	80%	0.796	S	S	*	*			trans	-74	169	177.7	-43.1	0	0	0	0	114.3
20	P	30.9	Very low	27.9	Very low	130 Å²	130	137.3 Å²	137.3	84%	0.844	80%	0.799	S	S	*	*				-133.7	156.5	127.3	31.7	-16.5	0	0	0	110.5
21	G	24.9	Very low	27.9	Very low	77 Å²	77	133.2 Å²	133.2	79%	0.794	80%	0.799	S	S	*	*			cis	124	119.9	32	0	0	0	0	0	107.9
22	T	28.3	Very low	27.8	Very low	149 Å²	149	136.4 Å²	136.4	91%	0.914	81%	0.81	S	S	*	*			trans	-73.4	155.9	-163.4	49.9	0	0	0	0	117.6
23	S	25.6	Very low	27.8	Very low	122 Å²	122	133.3 Å²	133.3	85%	0.853	81%	0.806	S	S	*	*			trans	-149.5	128	152.8	59.1	0	0	0	0	113.3
24	N	27.6	Very low	28	Very low	169 Å²	169	136 Å²	136	90%	0.904	80%	0.804	S	S	*	*			trans	-78.7	140.6	176	-82.4	-30.7	0	0	0	112.7
25	Q	29.1	Very low	28.2	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	81%	0.808	S	S	*	*			trans	-151.2	145.2	149.3	-106.4	-179.5	29.3	0	0	110.7
26	S	26.8	Very low	28.5	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	81%	0.81	S	S	*	*			trans	-99.8	130.8	-159.8	45.1	0	0	0	0	115.2
27	Q	28.7	Very low	29.1	Very low	181 Å²	181	138.2 Å²	138.2	85%	0.846	79%	0.794	S	S	*	*			trans	62.3	147	146.9	-87	-171.3	-1.9	0	0	120.5
28	P	28.6	Very low	30.1	Very low	121 Å²	121	142 Å²	142	79%	0.786	80%	0.803	S	S	*	*				-133.7	161.9	50.1	33.5	-13	0	0	0	117.9
29	C	35.3	Very low	31.9	Very low	116 Å²	116	140.3 Å²	140.3	78%	0.784	80%	0.8	S	S	*	*			trans	-71.9	132.4	177.5	-174.8	0	0	0	0	111.9
30	S	27.1	Very low	33.9	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	77%	0.768	S	S	*	*			trans	-135.8	151.2	168	-73.6	0	0	0	0	109.5
31	P	28.3	Very low	36.1	Very low	118 Å²	118	132 Å²	132	77%	0.766	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-79.2	147.7	-138.4	29.9	-33.8	0	0	0	113.5
32	K	26.4	Very low	37.9	Very low	197 Å²	197	135.2 Å²	135.2	86%	0.857	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.3	170.7	-68.9	177	179.5	176.2	0	109.1	I34	K32-I34 PolarHBondContact O-N 2.98Å
33	P	26.9	Very low	39.4	Very low	115 Å²	115	133.2 Å²	133.2	75%	0.747	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.1	164.8	26.5	-28.4	0	0	0	107.5	R35	P33-R35 PolarHBondContact O-N 2.66Å
34	I	31.6	Very low	41.5	Very low	160 Å²	160	127.6 Å²	127.6	82%	0.821	68%	0.677	S	S	*	*			trans	-52.6	106.1	167.9	-67.5	165.3	0	0	0	106.7	K32 L36	K32-I34 PolarHBondContact O-N 2.98Å; I34-L36 PolarHBondContact O-N 3.35Å; I34-L36 VanDerWaalsContact O-N 3.08Å
35	R	30.9	Very low	43.6	Very low	222 Å²	222	122.3 Å²	122.3	84%	0.838	65%	0.651	S	S	*	*			trans	-73.3	95.9	171.2	-94.6	-173.4	178.3	-175.2	1.2	107.4	P33 V37	P33-R35 PolarHBondContact O-N 2.66Å; R35-V37 HydrophobicContact CB-CG2 3.95Å; R35-V37 HydrophobicContact CG-CG2 4.06Å; R35-V37 PolarHBondContact O-N 3.36Å
36	L	32.9	Very low	45.2	Very low	167 Å²	167	116.6 Å²	116.6	87%	0.874	62%	0.624	S	S	*	*			trans	-69.8	76.2	150.9	-103.4	130.7	0	0	0	107.3	I34	I34-L36 PolarHBondContact O-N 3.35Å; I34-L36 VanDerWaalsContact O-N 3.08Å
37	V	40.9	Very low	46.7	Very low	70 Å²	70	112 Å²	112	42%	0.424	59%	0.592	S	S	.	*			trans	-93.5	109.3	163.4	174.4	0	0	0	0	104.7	R35 D39	R35-V37 HydrophobicContact CB-CG2 3.95Å; R35-V37 HydrophobicContact CG-CG2 4.06Å; R35-V37 PolarHBondContact O-N 3.36Å; V37-D39 PolarHBondContact O-N 3.49Å; V37-D39 VanDerWaalsContact O-N 3.08Å
38	Q	45.3	Very low	48.5	Very low	157 Å²	157	103.4 Å²	103.4	73%	0.734	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-54.7	116.4	162.4	-80.9	174.1	-29.1	0	0	107.9	K51	Q38-K51 PolarHBondContact O-NZ 3.43Å
39	D	63.8	Low	51	Low	145 Å²	145	98.1 Å²	98.1	78%	0.775	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.9	140.5	173.5	-74.4	-39.4	0	0	0	109.8	V37	V37-D39 PolarHBondContact O-N 3.49Å; V37-D39 VanDerWaalsContact O-N 3.08Å
40	L	72.1	Confident	53.4	Low	24 Å²	24	96.2 Å²	96.2	13%	0.126	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-68.8	134.2	173.4	-158.9	78.8	0	0	0	108.3	E42 L44 V45 W49 Y62 M74	L40-E42 PolarHBondContact O-N 2.76Å; L40-L44 HydrophobicContact CD1-CD1 4.25Å; L40-L44 HydrophobicContact CD2-CB 3.67Å; L40-L44 HydrophobicContact CG-CB 3.82Å; L40-L44 HydrophobicContact CG-CD1 4.19Å; L40-V45 HydrophobicContact CB-CG2 3.85Å; L40-V45 HydrophobicContact CD2-CG2 3.8Å; L40-V45 HydrophobicContact CG-CG2 4.25Å; L40-W49 HydrophobicContact CD2-CB 3.66Å; L40-W49 WeakPolarHBondContact CD2-O 3.42Å; L40-Y62 HydrophobicContact CD1-CD1 3.22Å; L40-Y62 HydrophobicContact CD1-CE1 3.16Å; L40-Y62 HydrophobicContact CD1-CG 4.43Å; L40-M74 HydrophobicContact CD1-CG 4.21Å
41	P	76.9	Confident	56.3	Low	45 Å²	45	94.6 Å²	94.6	29%	0.292	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-46	135.9	171.9	-28.7	30.5	0	0	0	111.8	E43 L44 V45 M74	P41-E43 WeakPolarHBondContact CB-OE2 3.41Å; P41-E43 PolarHBondContact O-N 2.94Å; P41-E43 VanDerWaalsContact O-N 3.11Å; P41-L44 HydrophobicContact CB-CD1 4.29Å; P41-L44 HydrophobicContact CB-CG 4.36Å; P41-L44 HydrophobicContact CG-CD1 4Å; P41-L44 WeakPolarHBondContact O-CB 3.34Å; P41-L44 PolarHBondContact O-N 3.45Å; P41-V45 PolarHBondContact O-N 3.16Å; P41-M74 VanDerWaalsContact CD-SD 3.58Å; P41-M74 HydrophobicContact CG-CE 4.48Å; P41-M74 HydrophobicContact CG-SD 3.97Å
42	E	63.7	Low	59.1	Low	144 Å²	144	90.3 Å²	90.3	67%	0.673	45%	0.448	S	S	*	.	H	α-helix	trans	-55	-35.5	-177	-74.2	-173.3	176.8	0	0	111	L40 L44 V45 H46	L40-E42 PolarHBondContact O-N 2.76Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.45Å; E42-V45 PolarHBondContact O-N 3.07Å; E42-H46 PolarHBondContact O-N 3.35Å; E42-H46 PolarHBondContact O-ND1 3.4Å
43	E	58.1	Low	62	Low	106 Å²	106	87.9 Å²	87.9	50%	0.495	43%	0.434	S	S	.	.	H	α-helix	trans	-62.8	-33.8	179.2	-55.5	83	-178.4	0	0	112.5	P41 A47 L77	P41-E43 WeakPolarHBondContact CB-OE2 3.41Å; P41-E43 PolarHBondContact O-N 2.94Å; P41-E43 VanDerWaalsContact O-N 3.11Å; E43-A47 WeakPolarHBondContact O-CB 3.32Å; E43-A47 PolarHBondContact O-N 3.06Å; E43-L77 HydrophobicContact CB-CD1 3.31Å; E43-L77 HydrophobicContact CG-CD1 4.31Å
44	L	69.6	Low	64.7	Low	4 Å²	4	83.4 Å²	83.4	2%	0.021	41%	0.405	C	S	.	.	H	α-helix	trans	-75.8	-38.4	175.9	-70	176.3	0	0	0	111.8	L40 P41 E42 H46 A47 G48 W49 M74 P75 L77	L40-L44 HydrophobicContact CD1-CD1 4.25Å; L40-L44 HydrophobicContact CD2-CB 3.67Å; L40-L44 HydrophobicContact CG-CB 3.82Å; L40-L44 HydrophobicContact CG-CD1 4.19Å; P41-L44 HydrophobicContact CB-CD1 4.29Å; P41-L44 HydrophobicContact CB-CG 4.36Å; P41-L44 HydrophobicContact CG-CD1 4Å; P41-L44 WeakPolarHBondContact O-CB 3.34Å; P41-L44 PolarHBondContact O-N 3.45Å; E42-L44 VanDerWaalsContact C-N 3.27Å; E42-L44 PolarHBondContact O-N 3.45Å; L44-H46 VanDerWaalsContact C-N 3.32Å; L44-H46 PolarHBondContact O-N 3.33Å; L44-A47 CarbonylContact O-C 3.5Å; L44-A47 PolarHBondContact O-N 3.22Å; L44-G48 PolarHBondContact O-N 3.09Å; L44-W49 HydrophobicContact CB-CB 4.16Å; L44-W49 HydrophobicContact CB-CG 4.48Å; L44-W49 HydrophobicContact CD2-CG 4.46Å; L44-W49 VanDerWaalsContact O-CB 3.26Å; L44-W49 WeakPolarHBondContact O-CB 3.34Å; L44-W49 PolarHBondContact O-N 3.27Å; L44-M74 HydrophobicContact CD1-CG 3.75Å; L44-M74 HydrophobicContact CD1-SD 4.47Å; L44-P75 HydrophobicContact CD1-CB 4.33Å; L44-P75 HydrophobicContact CD1-CG 4Å; L44-P75 WeakPolarHBondContact CD1-O 3.45Å; L44-P75 HydrophobicContact CD2-CB 3.69Å; L44-P75 HydrophobicContact CD2-CG 3.89Å; L44-P75 WeakPolarHBondContact CD2-O 3.39Å; L44-P75 HydrophobicContact CG-CG 4.46Å; L44-L77 HydrophobicContact CD2-CD1 4.1Å; L44-L77 HydrophobicContact CD2-CD2 3.78Å; L44-L77 HydrophobicContact CD2-CG 3.63Å; L44-L77 HydrophobicContact CG-CD1 4.35Å; L44-L77 HydrophobicContact CG-CG 4.38Å
45	V	71.8	Confident	67	Low	58 Å²	58	87.1 Å²	87.1	35%	0.352	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-44.1	174.5	-179.6	0	0	0	0	110.7	L40 P41 E42 A47 G48 W49 R65	L40-V45 HydrophobicContact CB-CG2 3.85Å; L40-V45 HydrophobicContact CD2-CG2 3.8Å; L40-V45 HydrophobicContact CG-CG2 4.25Å; P41-V45 PolarHBondContact O-N 3.16Å; E42-V45 PolarHBondContact O-N 3.07Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.48Å; V45-G48 PolarHBondContact O-N 2.94Å; V45-W49 WeakPolarHBondContact CA-O 3.23Å; V45-R65 PolarHBondContact O-NH2 3.06Å
46	H	62.6	Low	69.4	Low	83 Å²	83	87.1 Å²	87.1	38%	0.384	41%	0.409	S	S	.	.	H	α-helix	trans	-66.6	-31.9	174.8	-73	95.7	0	0	0	112.7	E42 L44 G48	E42-H46 PolarHBondContact O-N 3.35Å; E42-H46 PolarHBondContact O-ND1 3.4Å; L44-H46 VanDerWaalsContact C-N 3.32Å; L44-H46 PolarHBondContact O-N 3.33Å; H46-G48 PolarHBondContact O-N 3.24Å
47	A	59.4	Low	71.7	Confident	13 Å²	13	83.6 Å²	83.6	11%	0.107	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	6.7	172	0	0	0	0	0	113.5	E43 L44 V45 N64 L77	E43-A47 WeakPolarHBondContact O-CB 3.32Å; E43-A47 PolarHBondContact O-N 3.06Å; L44-A47 CarbonylContact O-C 3.5Å; L44-A47 PolarHBondContact O-N 3.22Å; V45-A47 VanDerWaalsContact C-N 3.33Å; V45-A47 PolarHBondContact O-N 3.48Å; A47-N64 PolarHBondContact O-ND2 3.25Å; A47-L77 HydrophobicContact CB-CD2 4.29Å
48	G	67	Low	73.7	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	4.5	174.3	0	0	0	0	0	115.2	L44 V45 H46 N64 R65	L44-G48 PolarHBondContact O-N 3.09Å; V45-G48 PolarHBondContact O-N 2.94Å; H46-G48 PolarHBondContact O-N 3.24Å; G48-N64 CarbonylContact O-C 3.58Å; G48-N64 WeakPolarHBondContact O-CA 3.43Å; G48-R65 WeakPolarHBondContact O-CG 3.24Å; G48-R65 PolarHBondContact O-N 3.21Å
49	W	80.9	Confident	75.7	Confident	11 Å²	11	83.9 Å²	83.9	4%	0.042	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.2	179.2	-63.3	96.7	0	0	0	111.9	L40 L44 V45 F63 N64 Q69 L71 P75	L40-W49 HydrophobicContact CD2-CB 3.66Å; L40-W49 WeakPolarHBondContact CD2-O 3.42Å; L44-W49 HydrophobicContact CB-CB 4.16Å; L44-W49 HydrophobicContact CB-CG 4.48Å; L44-W49 HydrophobicContact CD2-CG 4.46Å; L44-W49 VanDerWaalsContact O-CB 3.26Å; L44-W49 WeakPolarHBondContact O-CB 3.34Å; L44-W49 PolarHBondContact O-N 3.27Å; V45-W49 WeakPolarHBondContact CA-O 3.23Å; W49-F63 CarbonylContact C-O 3.48Å; W49-F63 VanDerWaalsContact CA-O 3.31Å; W49-F63 WeakPolarHBondContact CA-O 3.37Å; W49-N64 HydrophobicContact CD2-CB 3.67Å; W49-N64 HydrophobicContact CE3-CB 3.59Å; W49-N64 HydrophobicContact CG-CB 4.35Å; W49-N64 HydrophobicContact CH2-CB 3.81Å; W49-N64 HydrophobicContact CZ2-CB 3.92Å; W49-N64 HydrophobicContact CZ3-CB 3.65Å; W49-N64 PolarHBondContact NE1-ND2 2.87Å; W49-N64 VanDerWaalsContact NE1-ND2 3.11Å; W49-Q69 HydrophobicContact CH2-CB 3.92Å; W49-Q69 HydrophobicContact CH2-CG 3.83Å; W49-Q69 VanDerWaalsContact CH2-OE1 3.26Å; W49-Q69 HydrophobicContact CZ3-CB 4.4Å; W49-Q69 HydrophobicContact CZ3-CG 4.47Å; W49-Q69 WeakPolarHBondContact CZ3-O 3.28Å; W49-L71 HydrophobicContact CE3-CD1 4.25Å; W49-L71 HydrophobicContact CE3-CG 4.49Å; W49-L71 HydrophobicContact CH2-CD1 3.19Å; W49-L71 HydrophobicContact CH2-CD2 4.14Å; W49-L71 HydrophobicContact CH2-CG 3.38Å; W49-L71 HydrophobicContact CZ2-CD1 3.79Å; W49-L71 HydrophobicContact CZ2-CG 4.42Å; W49-L71 HydrophobicContact CZ3-CB 4.2Å; W49-L71 HydrophobicContact CZ3-CD1 3.47Å; W49-L71 VanDerWaalsContact CZ3-CD1 3.47Å; W49-L71 HydrophobicContact CZ3-CG 3.42Å; W49-L71 VanDerWaalsContact CZ3-CG 3.42Å; W49-P75 HydrophobicContact CB-CG 4.04Å; W49-P75 HydrophobicContact CD2-CB 3.86Å; W49-P75 HydrophobicContact CD2-CG 3.24Å; W49-P75 HydrophobicContact CE3-CB 4.37Å; W49-P75 HydrophobicContact CE3-CG 3.58Å; W49-P75 HydrophobicContact CG-CB 4.22Å; W49-P75 HydrophobicContact CG-CG 3.47Å; W49-P75 VanDerWaalsContact CG-CG 3.47Å; W49-P75 HydrophobicContact CH2-CB 4.49Å; W49-P75 HydrophobicContact CH2-CG 4.49Å; W49-P75 HydrophobicContact CZ2-CB 3.97Å; W49-P75 HydrophobicContact CZ2-CG 4.22Å; W49-P75 HydrophobicContact CZ3-CG 4.2Å
50	E	85.3	Confident	76.6	Confident	75 Å²	75	79 Å²	79	35%	0.35	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.9	172.8	58.2	175.2	-158.7	0	0	109.7	C52 Y62 F63	E50-C52 PolarHBondContact OE1-SG 3.49Å; E50-Y62 CarbonylContact O-C 3.54Å; E50-Y62 WeakPolarHBondContact O-CA 3.35Å; E50-F63 HydrophobicContact CG-CB 3.96Å; E50-F63 HydrophobicContact CG-CD1 3.96Å; E50-F63 HydrophobicContact CG-CG 4.48Å; E50-F63 VanDerWaalsContact CG-O 3.29Å; E50-F63 WeakPolarHBondContact CG-O 3.43Å; E50-F63 PolarHBondContact N-O 3.28Å; E50-F63 PolarHBondContact O-N 2.8Å; E50-F63 VanDerWaalsContact OE1-CD1 3.22Å; E50-F63 WeakPolarHBondContact OE1-CD1 3.25Å
51	K	87.3	Confident	77.1	Confident	73 Å²	73	80.8 Å²	80.8	32%	0.317	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.6	178	-169.7	177.5	-174.8	166.3	0	109.9	Q38 P60 Y61 Y62	Q38-K51 PolarHBondContact O-NZ 3.43Å; K51-P60 HydrophobicContact CG-CB 4.22Å; K51-Y61 CarbonylContact C-O 3.47Å; K51-Y61 WeakPolarHBondContact CA-O 3.46Å; K51-Y62 HydrophobicContact CB-CD1 3.91Å; K51-Y62 HydrophobicContact CB-CE1 3.91Å; K51-Y62 HydrophobicContact CD-CD1 4.5Å; K51-Y62 HydrophobicContact CD-CE1 3.7Å; K51-Y62 HydrophobicContact CG-CD1 3.98Å; K51-Y62 HydrophobicContact CG-CE1 3.64Å
52	C	87.9	Confident	77.5	Confident	27 Å²	27	79.7 Å²	79.7	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	164	179.4	-63.4	0	0	0	0	111.7	E50 P60 Y61	E50-C52 PolarHBondContact OE1-SG 3.49Å; C52-P60 CarbonylContact O-C 3.5Å; C52-P60 VanDerWaalsContact O-CA 3.23Å; C52-P60 WeakPolarHBondContact O-CA 3.5Å; C52-Y61 HydrophobicContact CB-CD1 3.7Å; C52-Y61 HydrophobicContact CB-CD2 4.01Å; C52-Y61 HydrophobicContact CB-CE1 3.25Å; C52-Y61 HydrophobicContact CB-CE2 3.59Å; C52-Y61 HydrophobicContact CB-CG 4.06Å; C52-Y61 PolarHBondContact N-O 2.81Å; C52-Y61 PolarHBondContact O-N 3.28Å; C52-Y61 VanDerWaalsContact O-O 3.05Å
53	W	87.4	Confident	78.1	Confident	147 Å²	147	74 Å²	74	56%	0.557	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.9	175.5	-172.3	-91.2	0	0	0	111	N58 P60	W53-N58 WeakPolarHBondContact CZ2-O 3.36Å; W53-P60 HydrophobicContact CE3-CB 4.02Å; W53-P60 HydrophobicContact CE3-CG 4.48Å; W53-P60 HydrophobicContact CZ3-CB 4.24Å; W53-P60 HydrophobicContact CZ3-CG 4.2Å
54	S	83.6	Confident	79.1	Confident	20 Å²	20	69.2 Å²	69.2	14%	0.14	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	117	173.5	178.1	0	0	0	0	110.4	R56 E57 N58 R59 W72	S54-R56 VanDerWaalsContact C-N 3.29Å; S54-R56 PolarHBondContact O-N 2.76Å; S54-R56 PolarHBondContact OG-N 3.01Å; S54-E57 PolarHBondContact OG-N 2.54Å; S54-E57 VanDerWaalsContact OG-N 3.15Å; S54-N58 VanDerWaalsContact O-CA 3.32Å; S54-N58 WeakPolarHBondContact O-CA 3.43Å; S54-N58 PolarHBondContact O-N 3.42Å; S54-R59 PolarHBondContact N-O 3.31Å; S54-W72 VanDerWaalsContact CB-CH2 3.42Å
55	R	80	Confident	78.5	Confident	238 Å²	238	71.1 Å²	71.1	90%	0.898	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.6	172.8	-68.1	-173.4	-179	-172.8	0.8	112.7
56	R	80.3	Confident	77.6	Confident	222 Å²	222	70.6 Å²	70.6	84%	0.838	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-43.9	-179.6	-179	-174.3	172	177.9	1.6	112.1	S54	S54-R56 VanDerWaalsContact C-N 3.29Å; S54-R56 PolarHBondContact O-N 2.76Å; S54-R56 PolarHBondContact OG-N 3.01Å
57	E	81.1	Confident	77.1	Confident	94 Å²	94	69.4 Å²	69.4	44%	0.439	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	0.4	-173.8	-55.8	-60.1	144.8	0	0	112.5	S54 R59 W72	S54-E57 PolarHBondContact OG-N 2.54Å; S54-E57 VanDerWaalsContact OG-N 3.15Å; E57-R59 HydrophobicContact CB-CG 4.22Å; E57-R59 PolarHBondContact O-N 2.94Å; E57-R59 VanDerWaalsContact O-N 3.08Å; E57-W72 HydrophobicContact CB-CH2 3.71Å; E57-W72 HydrophobicContact CB-CZ2 4.45Å; E57-W72 HydrophobicContact CB-CZ3 4.02Å; E57-W72 HydrophobicContact CG-CH2 3.56Å; E57-W72 HydrophobicContact CG-CZ2 3.92Å; E57-W72 HydrophobicContact CG-CZ3 4.36Å
58	N	83.1	Confident	76.7	Confident	122 Å²	122	72.1 Å²	72.1	65%	0.652	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	38.1	-179.3	-160.2	37.2	0	0	0	114.7	W53 S54	W53-N58 WeakPolarHBondContact CZ2-O 3.36Å; S54-N58 VanDerWaalsContact O-CA 3.32Å; S54-N58 WeakPolarHBondContact O-CA 3.43Å; S54-N58 PolarHBondContact O-N 3.42Å
59	R	88.5	Confident	76.4	Confident	110 Å²	110	74.3 Å²	74.3	42%	0.415	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.8	-179.7	75.6	176.6	-175.5	176.4	-1.9	111.9	S54 E57 W72	S54-R59 PolarHBondContact N-O 3.31Å; E57-R59 HydrophobicContact CB-CG 4.22Å; E57-R59 PolarHBondContact O-N 2.94Å; E57-R59 VanDerWaalsContact O-N 3.08Å; R59-W72 HydrophobicContact CG-CE3 3.55Å; R59-W72 HydrophobicContact CG-CZ3 3.53Å; R59-W72 VanDerWaalsContact NH2-CD2 3.27Å
60	P	82.5	Confident	76	Confident	42 Å²	42	76.6 Å²	76.6	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	150	175.6	30.3	-31.8	0	0	0	111.1	K51 C52 W53	K51-P60 HydrophobicContact CG-CB 4.22Å; C52-P60 CarbonylContact O-C 3.5Å; C52-P60 VanDerWaalsContact O-CA 3.23Å; C52-P60 WeakPolarHBondContact O-CA 3.5Å; W53-P60 HydrophobicContact CE3-CB 4.02Å; W53-P60 HydrophobicContact CE3-CG 4.48Å; W53-P60 HydrophobicContact CZ3-CB 4.24Å; W53-P60 HydrophobicContact CZ3-CG 4.2Å
61	Y	82.9	Confident	75.4	Confident	62 Å²	62	73.6 Å²	73.6	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	160.9	172.1	73.1	-84	0	0	0	109.1	K51 C52 F63 L71 W72	K51-Y61 CarbonylContact C-O 3.47Å; K51-Y61 WeakPolarHBondContact CA-O 3.46Å; C52-Y61 HydrophobicContact CB-CD1 3.7Å; C52-Y61 HydrophobicContact CB-CD2 4.01Å; C52-Y61 HydrophobicContact CB-CE1 3.25Å; C52-Y61 HydrophobicContact CB-CE2 3.59Å; C52-Y61 HydrophobicContact CB-CG 4.06Å; C52-Y61 PolarHBondContact N-O 2.81Å; C52-Y61 PolarHBondContact O-N 3.28Å; C52-Y61 VanDerWaalsContact O-O 3.05Å; Y61-F63 HydrophobicContact CD2-CB 4.4Å; Y61-F63 HydrophobicContact CE2-CB 4.01Å; Y61-L71 CarbonylContact C-O 3.54Å; Y61-L71 WeakPolarHBondContact CA-O 3.42Å; Y61-L71 VanDerWaalsContact CB-O 3.23Å; Y61-L71 WeakPolarHBondContact CB-O 3.33Å; Y61-W72 VanDerWaalsContact CB-CE3 3.41Å; Y61-W72 HydrophobicContact CD1-CZ3 4.19Å; Y61-W72 HydrophobicContact CG-CE3 4.46Å; Y61-W72 HydrophobicContact CG-CZ3 4.25Å
62	Y	84.1	Confident	75	Confident	22 Å²	22	73.9 Å²	73.9	9%	0.086	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.1	178.7	-55.6	-88	0	0	0	108.6	L40 E50 K51 S70 L71 E73 M74	L40-Y62 HydrophobicContact CD1-CD1 3.22Å; L40-Y62 HydrophobicContact CD1-CE1 3.16Å; L40-Y62 HydrophobicContact CD1-CG 4.43Å; E50-Y62 CarbonylContact O-C 3.54Å; E50-Y62 WeakPolarHBondContact O-CA 3.35Å; K51-Y62 HydrophobicContact CB-CD1 3.91Å; K51-Y62 HydrophobicContact CB-CE1 3.91Å; K51-Y62 HydrophobicContact CD-CD1 4.5Å; K51-Y62 HydrophobicContact CD-CE1 3.7Å; K51-Y62 HydrophobicContact CG-CD1 3.98Å; K51-Y62 HydrophobicContact CG-CE1 3.64Å; Y62-S70 CarbonylContact O-C 3.46Å; Y62-S70 WeakPolarHBondContact O-CA 3.37Å; Y62-L71 PolarHBondContact N-O 2.59Å; Y62-L71 PolarHBondContact O-N 3.03Å; Y62-E73 WeakPolarHBondContact CD2-O 3.29Å; Y62-M74 HydrophobicContact CE1-CB 4.44Å; Y62-M74 HydrophobicContact CE1-CG 4.47Å; Y62-M74 HydrophobicContact CE2-CB 4.14Å
63	F	77.3	Confident	74.5	Confident	24 Å²	24	77.9 Å²	77.9	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.5	179.3	175.4	-105	0	0	0	109.3	W49 E50 Y61 R65 N68 Q69 Y484	W49-F63 CarbonylContact C-O 3.48Å; W49-F63 VanDerWaalsContact CA-O 3.31Å; W49-F63 WeakPolarHBondContact CA-O 3.37Å; E50-F63 HydrophobicContact CG-CB 3.96Å; E50-F63 HydrophobicContact CG-CD1 3.96Å; E50-F63 HydrophobicContact CG-CG 4.48Å; E50-F63 VanDerWaalsContact CG-O 3.29Å; E50-F63 WeakPolarHBondContact CG-O 3.43Å; E50-F63 PolarHBondContact N-O 3.28Å; E50-F63 PolarHBondContact O-N 2.8Å; E50-F63 VanDerWaalsContact OE1-CD1 3.22Å; E50-F63 WeakPolarHBondContact OE1-CD1 3.25Å; Y61-F63 HydrophobicContact CD2-CB 4.4Å; Y61-F63 HydrophobicContact CE2-CB 4.01Å; F63-R65 HydrophobicContact CE1-CB 4.12Å; F63-N68 WeakPolarHBondContact CE2-OD1 3.35Å; F63-N68 WeakPolarHBondContact CZ-OD1 3.35Å; F63-Q69 CarbonylContact C-O 3.15Å; F63-Q69 WeakPolarHBondContact CA-O 3.36Å; F63-Y484 HydrophobicContact CE1-CE2 4.11Å; F63-Y484 AromaticContact CZ-CE2 3.95Å; F63-Y484 HydrophobicContact CZ-CE2 3.95Å
64	N	77.9	Confident	73.7	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.032	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.7	171.5	-168.8	-56.6	0	0	0	109	A47 G48 W49 F66 T67 N68 Q69	A47-N64 PolarHBondContact O-ND2 3.25Å; G48-N64 CarbonylContact O-C 3.58Å; G48-N64 WeakPolarHBondContact O-CA 3.43Å; W49-N64 HydrophobicContact CD2-CB 3.67Å; W49-N64 HydrophobicContact CE3-CB 3.59Å; W49-N64 HydrophobicContact CG-CB 4.35Å; W49-N64 HydrophobicContact CH2-CB 3.81Å; W49-N64 HydrophobicContact CZ2-CB 3.92Å; W49-N64 HydrophobicContact CZ3-CB 3.65Å; W49-N64 PolarHBondContact NE1-ND2 2.87Å; W49-N64 VanDerWaalsContact NE1-ND2 3.11Å; N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 2.82Å; N64-F66 WeakPolarHBondContact OD1-CA 3.35Å; N64-F66 WeakPolarHBondContact OD1-CB 3.47Å; N64-F66 PolarHBondContact OD1-N 2.94Å; N64-T67 WeakPolarHBondContact CB-OG1 3.48Å; N64-T67 PolarHBondContact OD1-N 3Å; N64-T67 PolarHBondContact OD1-OG1 2.88Å; N64-N68 WeakPolarHBondContact O-CA 3.4Å; N64-N68 PolarHBondContact O-N 2.74Å; N64-Q69 HydrophobicContact CB-CB 4.25Å; N64-Q69 PolarHBondContact N-O 3.12Å; N64-Q69 PolarHBondContact O-N 2.87Å
65	R	58.2	Low	72.9	Confident	45 Å²	45	75.2 Å²	75.2	17%	0.17	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27	180	69.1	-168.9	151.8	-159.2	-8.4	114	V45 G48 F63	V45-R65 PolarHBondContact O-NH2 3.06Å; G48-R65 WeakPolarHBondContact O-CG 3.24Å; G48-R65 PolarHBondContact O-N 3.21Å; F63-R65 HydrophobicContact CE1-CB 4.12Å
66	F	51.3	Low	71.7	Confident	47 Å²	47	68.6 Å²	68.6	21%	0.206	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-38.6	179.2	-55.7	-44	0	0	0	111.7	N64	N64-F66 VanDerWaalsContact C-N 3.33Å; N64-F66 PolarHBondContact O-N 2.82Å; N64-F66 WeakPolarHBondContact OD1-CA 3.35Å; N64-F66 WeakPolarHBondContact OD1-CB 3.47Å; N64-F66 PolarHBondContact OD1-N 2.94Å
67	T	53.5	Low	69.9	Low	58 Å²	58	61.5 Å²	61.5	36%	0.356	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-3.7	-179.1	70.4	0	0	0	0	113.5	N64 Q69 R230	N64-T67 WeakPolarHBondContact CB-OG1 3.48Å; N64-T67 PolarHBondContact OD1-N 3Å; N64-T67 PolarHBondContact OD1-OG1 2.88Å; T67-Q69 PolarHBondContact O-N 3.32Å; T67-Q69 VanDerWaalsContact OG1-CB 3.32Å; T67-Q69 WeakPolarHBondContact OG1-CB 3.33Å; T67-R230 PolarHBondContact O-NH1 2.68Å
68	N	49.8	Very low	68	Low	70 Å²	70	60 Å²	60	37%	0.374	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	29.4	-173.8	-155.4	14	0	0	0	113	F63 N64	F63-N68 WeakPolarHBondContact CE2-OD1 3.35Å; F63-N68 WeakPolarHBondContact CZ-OD1 3.35Å; N64-N68 WeakPolarHBondContact O-CA 3.4Å; N64-N68 PolarHBondContact O-N 2.74Å
69	Q	60.6	Low	65.6	Low	46 Å²	46	60.8 Å²	60.8	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.6	-176.5	-173.9	172.7	38	0	0	110.7	W49 F63 N64 T67 L71	W49-Q69 HydrophobicContact CH2-CB 3.92Å; W49-Q69 HydrophobicContact CH2-CG 3.83Å; W49-Q69 VanDerWaalsContact CH2-OE1 3.26Å; W49-Q69 HydrophobicContact CZ3-CB 4.4Å; W49-Q69 HydrophobicContact CZ3-CG 4.47Å; W49-Q69 WeakPolarHBondContact CZ3-O 3.28Å; F63-Q69 CarbonylContact C-O 3.15Å; F63-Q69 WeakPolarHBondContact CA-O 3.36Å; N64-Q69 HydrophobicContact CB-CB 4.25Å; N64-Q69 PolarHBondContact N-O 3.12Å; N64-Q69 PolarHBondContact O-N 2.87Å; T67-Q69 PolarHBondContact O-N 3.32Å; T67-Q69 VanDerWaalsContact OG1-CB 3.32Å; T67-Q69 WeakPolarHBondContact OG1-CB 3.33Å; Q69-L71 HydrophobicContact CG-CD2 4.14Å
70	S	73.5	Confident	62.9	Low	59 Å²	59	60.2 Å²	60.2	41%	0.413	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.5	171	-62.8	0	0	0	0	111.7	Y62 K279	Y62-S70 CarbonylContact O-C 3.46Å; Y62-S70 WeakPolarHBondContact O-CA 3.37Å; S70-K279 PolarHBondContact O-NZ 3.24Å
71	L	71.8	Confident	60.7	Low	11 Å²	11	64.4 Å²	64.4	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.7	173.5	-52.9	178	0	0	0	110.4	W49 Y61 Y62 Q69 E73 P75 K279	W49-L71 HydrophobicContact CE3-CD1 4.25Å; W49-L71 HydrophobicContact CE3-CG 4.49Å; W49-L71 HydrophobicContact CH2-CD1 3.19Å; W49-L71 HydrophobicContact CH2-CD2 4.14Å; W49-L71 HydrophobicContact CH2-CG 3.38Å; W49-L71 HydrophobicContact CZ2-CD1 3.79Å; W49-L71 HydrophobicContact CZ2-CG 4.42Å; W49-L71 HydrophobicContact CZ3-CB 4.2Å; W49-L71 HydrophobicContact CZ3-CD1 3.47Å; W49-L71 VanDerWaalsContact CZ3-CD1 3.47Å; W49-L71 HydrophobicContact CZ3-CG 3.42Å; W49-L71 VanDerWaalsContact CZ3-CG 3.42Å; Y61-L71 CarbonylContact C-O 3.54Å; Y61-L71 WeakPolarHBondContact CA-O 3.42Å; Y61-L71 VanDerWaalsContact CB-O 3.23Å; Y61-L71 WeakPolarHBondContact CB-O 3.33Å; Y62-L71 PolarHBondContact N-O 2.59Å; Y62-L71 PolarHBondContact O-N 3.03Å; Q69-L71 HydrophobicContact CG-CD2 4.14Å; L71-E73 WeakPolarHBondContact CB-O 3.33Å; L71-P75 HydrophobicContact CD1-CB 3.64Å; L71-P75 HydrophobicContact CD1-CG 3.94Å; L71-K279 HydrophobicContact CD2-CD 4.3Å
72	W	78.8	Confident	58.4	Low	79 Å²	79	65 Å²	65	30%	0.299	35%	0.346	S	S	.	.	S	Bend	trans	-92.9	-11	172.9	-64.5	106.3	0	0	0	112.2	S54 E57 R59 Y61	S54-W72 VanDerWaalsContact CB-CH2 3.42Å; E57-W72 HydrophobicContact CB-CH2 3.71Å; E57-W72 HydrophobicContact CB-CZ2 4.45Å; E57-W72 HydrophobicContact CB-CZ3 4.02Å; E57-W72 HydrophobicContact CG-CH2 3.56Å; E57-W72 HydrophobicContact CG-CZ2 3.92Å; E57-W72 HydrophobicContact CG-CZ3 4.36Å; R59-W72 HydrophobicContact CG-CE3 3.55Å; R59-W72 HydrophobicContact CG-CZ3 3.53Å; R59-W72 VanDerWaalsContact NH2-CD2 3.27Å; Y61-W72 VanDerWaalsContact CB-CE3 3.41Å; Y61-W72 HydrophobicContact CD1-CZ3 4.19Å; Y61-W72 HydrophobicContact CG-CE3 4.46Å; Y61-W72 HydrophobicContact CG-CZ3 4.25Å
73	E	77.3	Confident	56.2	Low	112 Å²	112	66.8 Å²	66.8	52%	0.523	36%	0.356	S	S	.	.	S	Bend	trans	-121.2	156	-179	-64.3	-177.4	173.5	0	0	110	Y62 L71 F280	Y62-E73 WeakPolarHBondContact CD2-O 3.29Å; L71-E73 WeakPolarHBondContact CB-O 3.33Å; E73-F280 HydrophobicContact CG-CZ 4.43Å; E73-F280 WeakPolarHBondContact OE1-CE1 3.38Å; E73-F280 WeakPolarHBondContact OE1-CZ 3.41Å
74	M	70.8	Confident	54.2	Low	98 Å²	98	68.8 Å²	68.8	48%	0.483	37%	0.373	S	S	.	.			trans	-62	124.9	-176.6	-171.7	170.3	69.6	0	0	109.2	L40 P41 L44 Y62	L40-M74 HydrophobicContact CD1-CG 4.21Å; P41-M74 VanDerWaalsContact CD-SD 3.58Å; P41-M74 HydrophobicContact CG-CE 4.48Å; P41-M74 HydrophobicContact CG-SD 3.97Å; L44-M74 HydrophobicContact CD1-CG 3.75Å; L44-M74 HydrophobicContact CD1-SD 4.47Å; Y62-M74 HydrophobicContact CE1-CB 4.44Å; Y62-M74 HydrophobicContact CE1-CG 4.47Å; Y62-M74 HydrophobicContact CE2-CB 4.14Å
75	P	67.2	Low	52.3	Low	12 Å²	12	71.2 Å²	71.2	8%	0.078	39%	0.386	C	S	.	.			trans	-60.4	139.9	-179.1	0.9	-0.5	0	0	0	111	L44 W49 L71	L44-P75 HydrophobicContact CD1-CB 4.33Å; L44-P75 HydrophobicContact CD1-CG 4Å; L44-P75 WeakPolarHBondContact CD1-O 3.45Å; L44-P75 HydrophobicContact CD2-CB 3.69Å; L44-P75 HydrophobicContact CD2-CG 3.89Å; L44-P75 WeakPolarHBondContact CD2-O 3.39Å; L44-P75 HydrophobicContact CG-CG 4.46Å; W49-P75 HydrophobicContact CB-CG 4.04Å; W49-P75 HydrophobicContact CD2-CB 3.86Å; W49-P75 HydrophobicContact CD2-CG 3.24Å; W49-P75 HydrophobicContact CE3-CB 4.37Å; W49-P75 HydrophobicContact CE3-CG 3.58Å; W49-P75 HydrophobicContact CG-CB 4.22Å; W49-P75 HydrophobicContact CG-CG 3.47Å; W49-P75 VanDerWaalsContact CG-CG 3.47Å; W49-P75 HydrophobicContact CH2-CB 4.49Å; W49-P75 HydrophobicContact CH2-CG 4.49Å; W49-P75 HydrophobicContact CZ2-CB 3.97Å; W49-P75 HydrophobicContact CZ2-CG 4.22Å; W49-P75 HydrophobicContact CZ3-CG 4.2Å; L71-P75 HydrophobicContact CD1-CB 3.64Å; L71-P75 HydrophobicContact CD1-CG 3.94Å
76	V	54.9	Low	51.2	Low	100 Å²	100	72.7 Å²	72.7	61%	0.606	40%	0.402	S	S	*	.			trans	-104.4	124.6	174.5	-172.2	0	0	0	0	108.4
77	L	42.7	Very low	50.6	Low	73 Å²	73	71.4 Å²	71.4	38%	0.382	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	136	179.5	-68.8	163.8	0	0	0	110.1	E43 L44 A47	E43-L77 HydrophobicContact CB-CD1 3.31Å; E43-L77 HydrophobicContact CG-CD1 4.31Å; L44-L77 HydrophobicContact CD2-CD1 4.1Å; L44-L77 HydrophobicContact CD2-CD2 3.78Å; L44-L77 HydrophobicContact CD2-CG 3.63Å; L44-L77 HydrophobicContact CG-CD1 4.35Å; L44-L77 HydrophobicContact CG-CG 4.38Å; A47-L77 HydrophobicContact CB-CD2 4.29Å
78	G	41.3	Very low	49.7	Very low	61 Å²	61	69.8 Å²	69.8	63%	0.629	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-1.4	174.7	0	0	0	0	0	117
79	Q	33.1	Very low	49	Very low	140 Å²	140	68.8 Å²	68.8	65%	0.654	39%	0.387	S	S	*	.			trans	-107.4	86.3	164.8	-78.8	-172.8	-16.3	0	0	109.9	R277	Q79-R277 PolarHBondContact O-NH2 2.95Å
80	H	32.4	Very low	47.5	Very low	98 Å²	98	69.5 Å²	69.5	45%	0.454	39%	0.392	S	S	.	.			trans	-118.4	109.9	169.4	-69.3	-10.3	0	0	0	107.4	F614	H80-F614 AromaticContact CD2-CZ 3.9Å
81	D	35	Very low	45.1	Very low	130 Å²	130	69.3 Å²	69.3	70%	0.695	39%	0.394	S	S	*	.			trans	-135.7	131.4	-169.6	-152.9	-8.3	0	0	0	110.2	I83	D81-I83 PolarHBondContact O-N 2.85Å
82	V	34.3	Very low	42.8	Very low	75 Å²	75	72.7 Å²	72.7	46%	0.455	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	23.3	-28.4	165.9	172.7	0	0	0	0	121.5	N90	V82-N90 HydrophobicContact CG1-CB 3.74Å; V82-N90 HydrophobicContact CG2-CB 4.33Å
83	I	37.6	Very low	40.3	Very low	58 Å²	58	72.9 Å²	72.9	30%	0.297	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-18.5	-164.9	-58.8	160.7	0	0	0	112.7	D81 L275 M335	D81-I83 PolarHBondContact O-N 2.85Å; I83-L275 HydrophobicContact CG2-CB 4.19Å; I83-M335 HydrophobicContact CD1-CE 3.36Å
84	S	35.9	Very low	37.7	Very low	66 Å²	66	75.1 Å²	75.1	46%	0.462	44%	0.441	S	S	.	.	S	Bend	trans	-105	10.8	-175.1	-45.6	0	0	0	0	113.6	P86	S84-P86 WeakPolarHBondContact O-CD 3.22Å
85	D	38.4	Very low	35.6	Very low	57 Å²	57	75.7 Å²	75.7	31%	0.305	45%	0.452	S	S	.	.			trans	-66.9	121.5	-178.5	175.9	19.8	0	0	0	110.3	L87 G88 L89	D85-L87 VanDerWaalsContact CG-N 3.31Å; D85-L87 PolarHBondContact O-N 2.6Å; D85-L87 WeakPolarHBondContact OD1-CB 3.46Å; D85-L87 PolarHBondContact OD1-N 3.33Å; D85-L87 WeakPolarHBondContact OD2-CB 3.43Å; D85-G88 PolarHBondContact O-N 2.98Å; D85-G88 VanDerWaalsContact O-N 3.13Å; D85-G88 PolarHBondContact OD2-N 3.19Å; D85-G88 VanDerWaalsContact OD2-N 3.14Å; D85-L89 PolarHBondContact OD2-N 2.96Å
86	P	35	Very low	33.5	Very low	77 Å²	77	84 Å²	84	50%	0.5	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.8	171.4	26	-33.7	0	0	0	114	S84 R235	S84-P86 WeakPolarHBondContact O-CD 3.22Å; P86-R235 PolarHBondContact O-NH2 3.29Å; P86-R235 VanDerWaalsContact O-NH2 3.15Å
87	L	38.1	Very low	32	Very low	19 Å²	19	87.2 Å²	87.2	10%	0.099	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-10.6	174.8	-57.7	174.6	0	0	0	114.3	D85 L89 N269 W588	D85-L87 VanDerWaalsContact CG-N 3.31Å; D85-L87 PolarHBondContact O-N 2.6Å; D85-L87 WeakPolarHBondContact OD1-CB 3.46Å; D85-L87 PolarHBondContact OD1-N 3.33Å; D85-L87 WeakPolarHBondContact OD2-CB 3.43Å; L87-L89 VanDerWaalsContact C-N 3.3Å; L87-L89 PolarHBondContact O-N 2.93Å; L87-N269 PolarHBondContact O-ND2 2.61Å; L87-W588 HydrophobicContact CD1-CD2 4.16Å; L87-W588 HydrophobicContact CD1-CE3 3.62Å; L87-W588 HydrophobicContact CD1-CH2 3.62Å; L87-W588 HydrophobicContact CD1-CZ2 4.15Å; L87-W588 HydrophobicContact CD1-CZ3 3.35Å
88	G	35.6	Very low	31.1	Very low	25 Å²	25	89.3 Å²	89.3	26%	0.258	53%	0.525	S	S	.	.			trans	60.2	26.6	170.1	0	0	0	0	0	116.4	D85 N269	D85-G88 PolarHBondContact O-N 2.98Å; D85-G88 VanDerWaalsContact O-N 3.13Å; D85-G88 PolarHBondContact OD2-N 3.19Å; D85-G88 VanDerWaalsContact OD2-N 3.14Å; G88-N269 PolarHBondContact O-ND2 3.43Å; G88-N269 PolarHBondContact O-OD1 3.17Å
89	L	34.9	Very low	30.2	Very low	49 Å²	49	92.1 Å²	92.1	26%	0.257	54%	0.535	S	S	.	.			trans	-113.6	94.9	-177.9	-65.9	174.4	0	0	0	111.3	D85 L87 R265 P591	D85-L89 PolarHBondContact OD2-N 2.96Å; L87-L89 VanDerWaalsContact C-N 3.3Å; L87-L89 PolarHBondContact O-N 2.93Å; L89-R265 HydrophobicContact CD2-CG 4.34Å; L89-P591 HydrophobicContact CB-CG 4.3Å; L89-P591 WeakPolarHBondContact O-CD 3.42Å
90	N	28.1	Very low	29.9	Very low	60 Å²	60	93.4 Å²	93.4	32%	0.321	55%	0.545	S	S	.	.			trans	-161.1	108.2	142.3	-94	-28.9	0	0	0	109.4	V82 E590	V82-N90 HydrophobicContact CG1-CB 3.74Å; V82-N90 HydrophobicContact CG2-CB 4.33Å; N90-E590 PolarHBondContact ND2-O 2.63Å; N90-E590 PolarHBondContact OD1-O 3.42Å
91	A	23.1	Very low	29.5	Very low	56 Å²	56	95.6 Å²	95.6	46%	0.463	57%	0.565	S	S	.	*			trans	-139.2	118.3	163	0	0	0	0	0	109.6
92	T	23.6	Very low	28.9	Very low	81 Å²	81	98 Å²	98	50%	0.497	57%	0.572	S	S	.	*			trans	98	116.2	154.7	-23.5	0	0	0	0	118.3	R343	T92-R343 HydrophobicContact CG2-CB 4.45Å; T92-R343 HydrophobicContact CG2-CG 3.71Å
93	P	26.8	Very low	28.3	Very low	84 Å²	84	100.6 Å²	100.6	55%	0.545	59%	0.589	S	S	.	*			trans	-85	144.9	163	33.7	-28	0	0	0	110.6
94	L	23.6	Very low	28	Very low	158 Å²	158	103.5 Å²	103.5	83%	0.827	61%	0.611	S	S	*	*			trans	-135.9	155.8	165.5	-92.6	175.5	0	0	0	108.9
95	P	25.4	Very low	28	Very low	110 Å²	110	106 Å²	106	71%	0.714	63%	0.625	S	S	*	*				-92.9	156.5	-120.1	-0.9	19.8	0	0	0	113.3	D97	P95-D97 PolarHBondContact O-N 3.41Å
96	Q	22.9	Very low	27.4	Very low	186 Å²	186	107.5 Å²	107.5	87%	0.869	65%	0.646	S	S	*	*			trans	-59.7	122.2	155.8	-72.2	176.5	-34.1	0	0	109.1
97	D	23.5	Very low	26.9	Very low	168 Å²	168	111.7 Å²	111.7	90%	0.898	66%	0.659	S	S	*	*			trans	-141.5	106.3	144.1	-106.8	-24.6	0	0	0	108.8	P95	P95-D97 PolarHBondContact O-N 3.41Å
98	S	23.8	Very low	26.3	Very low	118 Å²	118	117.6 Å²	117.6	83%	0.825	69%	0.691	S	S	*	*			trans	-102.3	116.3	166.5	53.8	0	0	0	0	107.9
99	S	23.9	Very low	25.7	Very low	119 Å²	119	125.1 Å²	125.1	83%	0.832	72%	0.716	S	S	*	*			trans	-137.1	130.2	151.9	49.9	0	0	0	0	110
100	L	25.5	Very low	25.8	Very low	168 Å²	168	127.9 Å²	127.9	88%	0.88	74%	0.737	S	S	*	*			trans	-64.1	153.7	-176.5	-62.3	141.4	0	0	0	112
101	V	24.6	Very low	25.7	Very low	143 Å²	143	135.9 Å²	135.9	87%	0.867	76%	0.763	S	S	*	*				-166.9	145.8	123.7	172.7	0	0	0	0	110.3
102	E	22.5	Very low	25.7	Very low	180 Å²	180	141.6 Å²	141.6	84%	0.841	78%	0.777	S	S	*	*			trans	-64.9	164.4	-170.7	-61.9	163.7	130	0	0	118.6
103	T	21.6	Very low	25.8	Very low	131 Å²	131	146.8 Å²	146.8	80%	0.804	79%	0.788	S	S	*	*			trans	-55.3	-178.6	171.2	56.7	0	0	0	0	116
104	P	32.2	Very low	25.7	Very low	119 Å²	119	150.2 Å²	150.2	77%	0.773	80%	0.797	S	S	*	*			cis	-144.3	-135.3	13.6	34.9	-5.3	0	0	0	114.9
105	P	36.1	Very low	25.8	Very low	117 Å²	117	149.1 Å²	149.1	76%	0.76	79%	0.791	S	S	*	*				-126.8	-177.3	-114	40.9	-19.2	0	0	0	118.2
106	A	24.5	Very low	25.7	Very low	89 Å²	89	149.1 Å²	149.1	74%	0.736	79%	0.794	S	S	*	*			trans	96.1	128.6	146.3	0	0	0	0	0	123.5
107	E	24.6	Very low	25.9	Very low	166 Å²	166	148.1 Å²	148.1	78%	0.776	79%	0.789	S	S	*	*			trans	58.7	124.1	140.5	-65.3	-170	152.7	0	0	124.3
108	N	24.8	Very low	25.9	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	79%	0.785	S	S	*	*				-179.9	133.3	102.4	-102.4	-48.2	0	0	0	117.1
109	K	24	Very low	26	Very low	182 Å²	182	151.4 Å²	151.4	79%	0.791	79%	0.786	S	S	*	*			trans	-20.5	-177.2	151.6	-80.6	171.9	-179.7	162.8	0	120
110	P	36.3	Very low	26.6	Very low	108 Å²	108	151 Å²	151	70%	0.701	78%	0.78	S	S	*	*			cis	-141	176.8	17.4	27.6	-0	0	0	0	116.1
111	R	26.1	Very low	26.6	Very low	227 Å²	227	149 Å²	149	86%	0.857	78%	0.78	S	S	*	*				-175.9	127.8	70.9	-79.2	178.7	171	178	-3.2	110.1
112	K	24.6	Very low	26.7	Very low	176 Å²	176	146.1 Å²	146.1	77%	0.765	78%	0.779	S	S	*	*				53.4	139.1	107.9	-77.3	-174.2	173.5	175	0	115.9
113	R	25.3	Very low	26.8	Very low	190 Å²	190	146.1 Å²	146.1	72%	0.717	79%	0.785	S	S	*	*			cis	-175	142	3.2	-121.4	176.6	177.3	176.2	-4.2	107.7
114	Q	25.1	Very low	27.1	Very low	157 Å²	157	143.3 Å²	143.3	73%	0.734	78%	0.782	S	S	*	*			trans	41.3	145.5	131	-88.1	174.7	-17.1	0	0	121.6
115	L	24.1	Very low	26.9	Very low	135 Å²	135	144.1 Å²	144.1	71%	0.707	79%	0.785	S	S	*	*			cis	-164	155	31.1	-92.5	130.2	0	0	0	109.1
116	S	24.9	Very low	26.4	Very low	110 Å²	110	148.1 Å²	148.1	77%	0.769	79%	0.79	S	S	*	*				167.8	128.8	91.9	39.4	0	0	0	0	106.8
117	E	25.5	Very low	26.6	Very low	164 Å²	164	153.5 Å²	153.5	77%	0.766	80%	0.797	S	S	*	*				91.3	128	65.3	-120.9	-175.2	164	0	0	116.1
118	E	24.1	Very low	27.2	Very low	177 Å²	177	151.2 Å²	151.2	83%	0.827	80%	0.796	S	S	*	*			trans	84	122	154.6	-59.1	-158.8	121.3	0	0	124.5
119	Q	26.2	Very low	27.1	Very low	179 Å²	179	153.6 Å²	153.6	84%	0.836	80%	0.8	S	S	*	*			trans	-91.7	170.4	146.7	-88.4	-168.5	-29.1	0	0	108.3
120	P	35.2	Very low	27.2	Very low	110 Å²	110	153 Å²	153	71%	0.714	80%	0.804	S	S	*	*			cis	-156.8	-179.5	38.3	40.7	-16.2	0	0	0	119.7
121	S	26.2	Very low	26.6	Very low	125 Å²	125	156.3 Å²	156.3	87%	0.874	81%	0.81	S	S	*	*			trans	65.2	137.6	143.8	-68.6	0	0	0	0	124.8
122	G	25.8	Very low	26.7	Very low	83 Å²	83	153.5 Å²	153.5	86%	0.856	81%	0.81	S	S	*	*			trans	136.4	118.6	137.4	0	0	0	0	0	119.5
123	N	24.9	Very low	26.8	Very low	180 Å²	180	150.8 Å²	150.8	96%	0.963	81%	0.81	S	S	*	*			trans	-71.5	160.4	-179.4	-85	-26.7	0	0	0	116.9
124	G	27.8	Very low	26.9	Very low	72 Å²	72	150.7 Å²	150.7	74%	0.742	82%	0.821	S	S	*	*			trans	160.9	84.3	150.8	0	0	0	0	0	121.2
125	V	28.3	Very low	27	Very low	136 Å²	136	149.3 Å²	149.3	82%	0.824	82%	0.823	S	S	*	*			trans	33.3	122.3	140.1	-155.5	0	0	0	0	122.6
126	K	27.1	Very low	27.3	Very low	201 Å²	201	149.1 Å²	149.1	87%	0.874	83%	0.83	S	S	*	*				165.4	125.9	114.7	-85.5	-177.9	-174.1	177.8	0	112.6
127	K	28.1	Very low	27.7	Very low	203 Å²	203	150.4 Å²	150.4	88%	0.883	83%	0.833	S	S	*	*			trans	-74.5	177.2	171	-73	-178.3	171.9	177.5	0	111.2
128	P	36.7	Very low	28.1	Very low	117 Å²	117	146.1 Å²	146.1	76%	0.76	83%	0.833	S	S	*	*			cis	-147.9	174	14.7	41.2	-19.6	0	0	0	120
129	K	23.3	Very low	28.6	Very low	194 Å²	194	144.7 Å²	144.7	84%	0.843	83%	0.826	S	S	*	*			trans	72.6	114.7	143.2	-114.8	178.8	178.7	-178.3	0	121.2
130	I	25.9	Very low	29.4	Very low	168 Å²	168	141.3 Å²	141.3	86%	0.862	82%	0.822	S	S	*	*				-177.2	143.1	108	-84.9	153.7	0	0	0	109.2
131	E	24.1	Very low	29.7	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	81%	0.807	S	S	*	*			trans	-74.4	152.7	-171.7	-64.2	166.6	155.7	0	0	114.3
132	I	27.3	Very low	30.3	Very low	168 Å²	168	135.3 Å²	135.3	86%	0.862	78%	0.779	S	S	*	*			trans	-171	147.6	144.5	-92.3	151.8	0	0	0	108.1
133	P	27.5	Very low	30.8	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-92	158.3	-141.3	18	-5.3	0	0	0	116.5
134	M	27.5	Very low	31.1	Very low	189 Å²	189	132.6 Å²	132.6	93%	0.931	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-67.2	144.6	175.8	-75	177.8	161	0	0	113.4
135	T	27.5	Very low	31.2	Very low	128 Å²	128	133.3 Å²	133.3	79%	0.785	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-57.3	147	170.9	28.1	0	0	0	0	113.9
136	P	29.9	Very low	31.1	Very low	130 Å²	130	132.3 Å²	132.3	84%	0.844	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-81.8	126.5	178.8	28.8	-24.9	0	0	0	111.8
137	T	33.3	Very low	31.2	Very low	138 Å²	138	128 Å²	128	85%	0.847	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-74.6	139.9	170	39.1	0	0	0	0	112.6
138	G	32.8	Very low	31.2	Very low	73 Å²	73	124 Å²	124	75%	0.753	74%	0.737	S	S	*	*			trans	37.7	113.3	146.8	0	0	0	0	0	119.6	S140	G138-S140 PolarHBondContact O-N 3.14Å
139	Q	35.5	Very low	30.6	Very low	147 Å²	147	121.1 Å²	121.1	69%	0.687	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-62	116.4	165.4	-71.3	-174.5	-23.6	0	0	110.1	P399	Q139-P399 PolarHBondContact NE2-O 3.41Å
140	S	42.6	Very low	30.8	Very low	108 Å²	108	118.2 Å²	118.2	76%	0.755	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-75.5	138.5	176.1	53.7	0	0	0	0	112	G138	G138-S140 PolarHBondContact O-N 3.14Å
141	V	42.3	Very low	30.8	Very low	66 Å²	66	115.6 Å²	115.6	40%	0.4	72%	0.72	S	S	.	*	P	Polyproline II helix	trans	-54.5	136	169.4	179	0	0	0	0	110	S143	V141-S143 PolarHBondContact O-N 3.24Å
142	P	38.7	Very low	31	Very low	43 Å²	43	112.2 Å²	112.2	28%	0.279	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-60.7	127.4	178.8	21.8	-31	0	0	0	111	Y403	P142-Y403 HydrophobicContact CG-CE2 4.43Å
143	S	36	Very low	31.4	Very low	113 Å²	113	111.8 Å²	111.8	79%	0.79	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-61.3	143.5	167.7	-42	0	0	0	0	109.4	V141	V141-S143 PolarHBondContact O-N 3.24Å
144	S	31.6	Very low	31.6	Very low	93 Å²	93	114.5 Å²	114.5	65%	0.65	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-46.7	133.1	-179.6	-53.5	0	0	0	0	111.2	S146	S144-S146 PolarHBondContact O-N 3.48Å; S144-S146 VanDerWaalsContact O-N 3.1Å
145	P	29	Very low	31.9	Very low	88 Å²	88	114.6 Å²	114.6	57%	0.571	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-59.8	121.9	179.1	22.5	-30.4	0	0	0	109.4	V147	P145-V147 PolarHBondContact O-N 3.4Å
146	S	27	Very low	32.3	Very low	114 Å²	114	114.6 Å²	114.6	80%	0.797	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-58.4	123.1	170	43.8	0	0	0	0	109.3	S144 P148	S144-S146 PolarHBondContact O-N 3.48Å; S144-S146 VanDerWaalsContact O-N 3.1Å; S146-P148 WeakPolarHBondContact O-CD 3.39Å
147	V	29.6	Very low	32.4	Very low	110 Å²	110	110.9 Å²	110.9	67%	0.667	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-50.5	119.7	-179.4	178.4	0	0	0	0	111.5	P145 G149	P145-V147 PolarHBondContact O-N 3.4Å; V147-G149 PolarHBondContact O-N 2.93Å
148	P	27.1	Very low	32.6	Very low	121 Å²	121	111.5 Å²	111.5	79%	0.786	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-68.8	119.8	140.8	-0.9	18.9	0	0	0	105.5	S146 T150	S146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-T150 PolarHBondContact O-N 2.88Å
149	G	25.3	Very low	33	Very low	55 Å²	55	109.6 Å²	109.6	57%	0.567	66%	0.661	S	S	*	*			trans	-38.3	138.9	-174.8	0	0	0	0	0	112.3	V147 P151	V147-G149 PolarHBondContact O-N 2.93Å; G149-P151 WeakPolarHBondContact O-CD 3.44Å
150	T	26.1	Very low	33.3	Very low	133 Å²	133	107.8 Å²	107.8	82%	0.816	66%	0.662	S	S	*	*			trans	-39.8	111	163.8	-3.6	0	0	0	0	107.3	P148 T152	P148-T150 PolarHBondContact O-N 2.88Å; T150-T152 VanDerWaalsContact C-N 3.28Å; T150-T152 PolarHBondContact O-N 3.13Å
151	P	26.4	Very low	33.5	Very low	113 Å²	113	109.9 Å²	109.9	73%	0.734	66%	0.66	S	S	*	*			trans	-67.3	107.4	169.6	-8.1	24	0	0	0	102.8	G149 L153	G149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-L153 PolarHBondContact O-N 3.34Å
152	T	28.4	Very low	33.7	Very low	107 Å²	107	109.3 Å²	109.3	66%	0.656	66%	0.655	S	S	*	*			trans	-39.9	137.4	154.7	34.6	0	0	0	0	107.1	T150 K154	T150-T152 VanDerWaalsContact C-N 3.28Å; T150-T152 PolarHBondContact O-N 3.13Å; T152-K154 PolarHBondContact O-N 3.06Å
153	L	34.7	Very low	34	Very low	159 Å²	159	114.9 Å²	114.9	83%	0.832	67%	0.674	S	S	*	*	S	Bend	trans	-53.8	72.1	175.9	-162	100	0	0	0	110.4	P151	P151-L153 PolarHBondContact O-N 3.34Å
154	K	33.2	Very low	34.6	Very low	176 Å²	176	116.1 Å²	116.1	77%	0.765	67%	0.668	S	S	*	*			trans	-149.3	69.2	-171.7	-79.1	-165.4	177.4	-178.2	0	108.6	T152	T152-K154 PolarHBondContact O-N 3.06Å
155	M	32.3	Very low	35.5	Very low	192 Å²	192	116.6 Å²	116.6	95%	0.946	66%	0.66	S	S	*	*			trans	-162.7	82.1	143.6	-112.4	159.2	58	0	0	106.9
156	W	36.3	Very low	36.7	Very low	127 Å²	127	113.5 Å²	113.5	48%	0.481	64%	0.641	S	S	.	*			trans	-123.5	116.8	151.8	-135.6	-44.9	0	0	0	107	D162 Q165 A166	W156-D162 HydrophobicContact CD2-CB 4.38Å; W156-D162 HydrophobicContact CG-CB 4.19Å; W156-D162 HydrophobicContact CZ2-CB 4.27Å; W156-D162 WeakPolarHBondContact CZ2-O 3.36Å; W156-D162 PolarHBondContact NE1-OD1 3.27Å; W156-Q165 HydrophobicContact CH2-CB 4.3Å; W156-Q165 HydrophobicContact CZ2-CB 4.2Å; W156-A166 HydrophobicContact CE3-CB 3.68Å; W156-A166 HydrophobicContact CH2-CB 3.7Å; W156-A166 HydrophobicContact CZ3-CB 3.24Å
157	G	32.4	Very low	38.2	Very low	53 Å²	53	110.5 Å²	110.5	55%	0.546	62%	0.624	S	S	.	*			trans	-60.3	158.5	170.7	0	0	0	0	0	111.2	S159	G157-S159 PolarHBondContact O-N 3.15Å
158	T	37.7	Very low	39.7	Very low	150 Å²	150	108.5 Å²	108.5	92%	0.92	61%	0.609	S	S	*	*	S	Bend	trans	-75	68.6	-167.6	45.2	0	0	0	0	113.7
159	S	41.3	Very low	41.4	Very low	34 Å²	34	103.9 Å²	103.9	24%	0.238	58%	0.578	C	S	.	*			trans	-123.9	149.9	167.1	100.4	0	0	0	0	112.9	G157 D162	G157-S159 PolarHBondContact O-N 3.15Å; S159-D162 WeakPolarHBondContact CB-OD2 3.47Å; S159-D162 VanDerWaalsContact OG-CB 3.32Å; S159-D162 WeakPolarHBondContact OG-CB 3.21Å; S159-D162 PolarHBondContact OG-N 3.24Å; S159-D162 PolarHBondContact OG-OD2 3.26Å
160	P	42.3	Very low	43.6	Very low	109 Å²	109	109.1 Å²	109.1	71%	0.708	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-34.6	177.5	-19.6	32.5	0	0	0	114.1	D162 K163 Q164	P160-D162 VanDerWaalsContact C-N 3.35Å; P160-K163 PolarHBondContact O-N 3.43Å; P160-Q164 PolarHBondContact O-N 3.21Å
161	E	45.1	Very low	45.7	Very low	152 Å²	152	104.9 Å²	104.9	71%	0.71	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-39.1	-177.9	-65.6	176.5	159.2	0	0	111.3	K163 Q164 Q165	E161-K163 PolarHBondContact O-N 2.97Å; E161-Q164 WeakPolarHBondContact O-CB 3.44Å; E161-Q164 PolarHBondContact O-N 3.37Å; E161-Q164 VanDerWaalsContact O-N 3.16Å; E161-Q165 PolarHBondContact O-N 3.15Å
162	D	46.5	Very low	47.8	Very low	54 Å²	54	104.3 Å²	104.3	29%	0.289	55%	0.549	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176.2	-82.8	-37	0	0	0	114.1	W156 S159 P160 Q164 Q165 A166	W156-D162 HydrophobicContact CD2-CB 4.38Å; W156-D162 HydrophobicContact CG-CB 4.19Å; W156-D162 HydrophobicContact CZ2-CB 4.27Å; W156-D162 WeakPolarHBondContact CZ2-O 3.36Å; W156-D162 PolarHBondContact NE1-OD1 3.27Å; S159-D162 WeakPolarHBondContact CB-OD2 3.47Å; S159-D162 VanDerWaalsContact OG-CB 3.32Å; S159-D162 WeakPolarHBondContact OG-CB 3.21Å; S159-D162 PolarHBondContact OG-N 3.24Å; S159-D162 PolarHBondContact OG-OD2 3.26Å; P160-D162 VanDerWaalsContact C-N 3.35Å; D162-Q164 VanDerWaalsContact C-N 3.28Å; D162-Q164 PolarHBondContact O-N 3.02Å; D162-Q165 PolarHBondContact O-N 3.29Å; D162-A166 WeakPolarHBondContact O-CB 3.49Å; D162-A166 PolarHBondContact O-N 2.89Å
163	K	45.2	Very low	50.1	Low	159 Å²	159	102.1 Å²	102.1	69%	0.691	53%	0.532	S	S	*	.	H	α-helix	trans	-67.8	-31.5	175.3	-72.3	-178.4	178.7	177.3	0	112	P160 E161 A167	P160-K163 PolarHBondContact O-N 3.43Å; E161-K163 PolarHBondContact O-N 2.97Å; K163-A167 WeakPolarHBondContact O-CB 3.33Å; K163-A167 PolarHBondContact O-N 3.29Å
164	Q	49.9	Very low	52.7	Low	139 Å²	139	98.5 Å²	98.5	65%	0.65	52%	0.516	S	S	*	.	H	α-helix	trans	-73.6	-42.1	177.7	-156.6	157.4	14	0	0	110.7	P160 E161 D162 A166 A167 L168	P160-Q164 PolarHBondContact O-N 3.21Å; E161-Q164 WeakPolarHBondContact O-CB 3.44Å; E161-Q164 PolarHBondContact O-N 3.37Å; E161-Q164 VanDerWaalsContact O-N 3.16Å; D162-Q164 VanDerWaalsContact C-N 3.28Å; D162-Q164 PolarHBondContact O-N 3.02Å; Q164-A166 PolarHBondContact O-N 2.9Å; Q164-A167 PolarHBondContact O-N 2.93Å; Q164-L168 VanDerWaalsContact O-CG 3.23Å; Q164-L168 WeakPolarHBondContact O-CG 3.33Å; Q164-L168 PolarHBondContact O-N 3.18Å
165	Q	50	Low	55.6	Low	104 Å²	104	91.2 Å²	91.2	49%	0.486	48%	0.484	S	S	.	.	H	α-helix	trans	-59.8	-43.2	170.9	-149.3	93.5	22.6	0	0	112	W156 E161 D162 A167 L168 L169	W156-Q165 HydrophobicContact CH2-CB 4.3Å; W156-Q165 HydrophobicContact CZ2-CB 4.2Å; E161-Q165 PolarHBondContact O-N 3.15Å; D162-Q165 PolarHBondContact O-N 3.29Å; Q165-A167 PolarHBondContact O-N 3.15Å; Q165-L168 WeakPolarHBondContact O-CB 3.32Å; Q165-L168 PolarHBondContact O-N 2.86Å; Q165-L169 WeakPolarHBondContact O-CG 3.28Å; Q165-L169 PolarHBondContact O-N 2.97Å
166	A	55	Low	58.7	Low	22 Å²	22	83 Å²	83	18%	0.182	44%	0.442	C	S	.	.	H	α-helix	trans	-64.2	-38.7	177.9	0	0	0	0	0	113.2	W156 D162 Q164	W156-A166 HydrophobicContact CE3-CB 3.68Å; W156-A166 HydrophobicContact CH2-CB 3.7Å; W156-A166 HydrophobicContact CZ3-CB 3.24Å; D162-A166 WeakPolarHBondContact O-CB 3.49Å; D162-A166 PolarHBondContact O-N 2.89Å; Q164-A166 PolarHBondContact O-N 2.9Å
167	A	58.6	Low	61.7	Low	52 Å²	52	79.5 Å²	79.5	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-70.2	-34.8	176.4	0	0	0	0	0	111.6	K163 Q164 Q165 L169 R441	K163-A167 WeakPolarHBondContact O-CB 3.33Å; K163-A167 PolarHBondContact O-N 3.29Å; Q164-A167 PolarHBondContact O-N 2.93Å; Q165-A167 PolarHBondContact O-N 3.15Å; A167-L169 VanDerWaalsContact C-N 3.3Å; A167-L169 PolarHBondContact O-N 3.29Å; A167-R441 PolarHBondContact O-NH2 3.31Å
168	L	59.4	Low	64.8	Low	67 Å²	67	77.3 Å²	77.3	35%	0.351	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-33.8	177.8	-73.5	167	0	0	0	112.8	Q164 Q165 M423 R441	Q164-L168 VanDerWaalsContact O-CG 3.23Å; Q164-L168 WeakPolarHBondContact O-CG 3.33Å; Q164-L168 PolarHBondContact O-N 3.18Å; Q165-L168 WeakPolarHBondContact O-CB 3.32Å; Q165-L168 PolarHBondContact O-N 2.86Å; L168-M423 HydrophobicContact CD2-CE 3.63Å; L168-M423 HydrophobicContact CD2-SD 4.18Å; L168-R441 PolarHBondContact O-NE 3.07Å
169	L	63.9	Low	67.7	Low	25 Å²	25	75.6 Å²	75.6	13%	0.131	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.9	-175.3	-66.5	169.9	0	0	0	115.2	Q165 A167 P171 F444 S445 W448	Q165-L169 WeakPolarHBondContact O-CG 3.28Å; Q165-L169 PolarHBondContact O-N 2.97Å; A167-L169 VanDerWaalsContact C-N 3.3Å; A167-L169 PolarHBondContact O-N 3.29Å; L169-P171 WeakPolarHBondContact O-CD 3.31Å; L169-F444 HydrophobicContact CD2-CD1 4.22Å; L169-F444 HydrophobicContact CD2-CE1 4.11Å; L169-S445 WeakPolarHBondContact CA-OG 3.48Å; L169-S445 WeakPolarHBondContact O-CB 3.45Å; L169-S445 PolarHBondContact O-OG 3.47Å; L169-W448 HydrophobicContact CD1-CD2 3.88Å; L169-W448 HydrophobicContact CD1-CE3 4.44Å; L169-W448 HydrophobicContact CD1-CG 4.07Å; L169-W448 HydrophobicContact CD1-CZ2 4.26Å; L169-W448 HydrophobicContact CD2-CB 3.92Å; L169-W448 HydrophobicContact CD2-CD2 4.39Å; L169-W448 HydrophobicContact CD2-CG 3.87Å
170	R	70.1	Confident	70.4	Confident	165 Å²	165	74.8 Å²	74.8	62%	0.623	39%	0.387	S	S	*	.	S	Bend	trans	-82	122.5	174.2	-72.5	-171.9	-163.8	172.8	4.4	110.5
171	P	70.4	Confident	73	Confident	43 Å²	43	75.5 Å²	75.5	28%	0.279	38%	0.381	S	S	.	.			trans	-64.7	140.9	174.1	-17	29.9	0	0	0	111.3	L169 V174 W176	L169-P171 WeakPolarHBondContact O-CD 3.31Å; P171-V174 HydrophobicContact CB-CG2 3.97Å; P171-W176 HydrophobicContact CB-CH2 4.49Å; P171-W176 HydrophobicContact CB-CZ2 4Å; P171-W176 HydrophobicContact CG-CZ2 3.94Å
172	T	71	Confident	75.6	Confident	101 Å²	101	69.4 Å²	69.4	62%	0.62	35%	0.354	S	S	*	.	S	Bend	trans	-91.5	-29.5	173.5	66.6	0	0	0	0	112.9	N442	T172-N442 PolarHBondContact N-OD1 3.22Å; T172-N442 PolarHBondContact OG1-ND2 3.22Å; T172-N442 PolarHBondContact OG1-OD1 3.06Å
173	E	77.8	Confident	78.1	Confident	62 Å²	62	68.6 Å²	68.6	29%	0.29	35%	0.35	S	S	.	.	S	Bend	trans	-137.4	136.7	174.6	-65.5	-173.7	147.8	0	0	108.2	Y175 N442 K628	E173-Y175 HydrophobicContact CB-CE2 4.18Å; E173-Y175 PolarHBondContact OE2-OH 3.12Å; E173-N442 PolarHBondContact N-ND2 3.4Å; E173-K628 WeakPolarHBondContact OE1-CD 3.46Å; E173-K628 VanDerWaalsContact OE1-CE 3.28Å; E173-K628 WeakPolarHBondContact OE1-CE 3.4Å; E173-K628 IonicContact OE1-NZ 3.27Å; E173-K628 PolarHBondContact OE1-NZ 3.11Å
174	V	87.8	Confident	80.6	Confident	83 Å²	83	61 Å²	61	50%	0.503	32%	0.317	S	S	.	.			trans	-119.1	124.9	-168.8	177.9	0	0	0	0	109.2	P171 W176	P171-V174 HydrophobicContact CB-CG2 3.97Å; V174-W176 HydrophobicContact CG1-CD2 4.27Å; V174-W176 HydrophobicContact CG1-CG 4.21Å; V174-W176 WeakPolarHBondContact CG1-O 3.19Å
175	Y	95.2	Very high	83	Confident	23 Å²	23	54.8 Å²	54.8	9%	0.09	29%	0.288	C	S	.	.			trans	-120.3	24.1	-179.4	-58.5	-79.3	0	0	0	112.7	E173 Y443 V495 R619 M631	E173-Y175 HydrophobicContact CB-CE2 4.18Å; E173-Y175 PolarHBondContact OE2-OH 3.12Å; Y175-Y443 HydrophobicContact CD2-CE2 4.16Å; Y175-V495 HydrophobicContact CD1-CG2 3.96Å; Y175-R619 PolarHBondContact O-NH1 2.86Å; Y175-M631 HydrophobicContact CD1-SD 4.49Å; Y175-M631 HydrophobicContact CD2-CE 4.32Å; Y175-M631 HydrophobicContact CE1-CE 4.38Å; Y175-M631 HydrophobicContact CE1-CG 3.81Å; Y175-M631 HydrophobicContact CE1-SD 4.18Å; Y175-M631 HydrophobicContact CE2-CE 3.66Å; Y175-M631 HydrophobicContact CE2-SD 4.33Å
176	W	97.4	Very high	85.3	Confident	19 Å²	19	50 Å²	50	7%	0.072	27%	0.266	C	S	.	.			trans	-151.4	157.2	-172.9	53.7	75.7	0	0	0	110.3	P171 V174 L178 N442 Y443 K446 Y519	P171-W176 HydrophobicContact CB-CH2 4.49Å; P171-W176 HydrophobicContact CB-CZ2 4Å; P171-W176 HydrophobicContact CG-CZ2 3.94Å; V174-W176 HydrophobicContact CG1-CD2 4.27Å; V174-W176 HydrophobicContact CG1-CG 4.21Å; V174-W176 WeakPolarHBondContact CG1-O 3.19Å; W176-L178 HydrophobicContact CB-CD2 4.19Å; W176-L178 HydrophobicContact CG-CD2 4.32Å; W176-L178 HydrophobicContact CG-CG 4.24Å; W176-N442 HydrophobicContact CH2-CB 4.28Å; W176-N442 WeakPolarHBondContact CH2-O 3.38Å; W176-Y443 HydrophobicContact CZ3-CD1 4.31Å; W176-Y443 HydrophobicContact CZ3-CD2 4.36Å; W176-Y443 HydrophobicContact CZ3-CE1 4.12Å; W176-Y443 HydrophobicContact CZ3-CE2 4.22Å; W176-Y443 HydrophobicContact CZ3-CG 4.44Å; W176-K446 HydrophobicContact CD2-CB 4.19Å; W176-K446 HydrophobicContact CD2-CD 3.76Å; W176-K446 HydrophobicContact CD2-CG 3.63Å; W176-K446 HydrophobicContact CE3-CB 4.23Å; W176-K446 HydrophobicContact CE3-CD 3.5Å; W176-K446 HydrophobicContact CE3-CG 3.84Å; W176-K446 HydrophobicContact CG-CD 4.37Å; W176-K446 HydrophobicContact CG-CG 4.18Å; W176-K446 HydrophobicContact CH2-CB 3.66Å; W176-K446 HydrophobicContact CH2-CD 4.39Å; W176-K446 HydrophobicContact CH2-CG 4.18Å; W176-K446 HydrophobicContact CZ2-CB 3.59Å; W176-K446 HydrophobicContact CZ2-CG 3.98Å; W176-K446 HydrophobicContact CZ3-CB 3.98Å; W176-K446 HydrophobicContact CZ3-CD 3.84Å; W176-K446 HydrophobicContact CZ3-CG 4.1Å; W176-Y519 WeakPolarHBondContact CA-O 3.38Å; W176-Y519 WeakPolarHBondContact CB-O 3.12Å
177	D	97.9	Very high	87.2	Confident	53 Å²	53	54.9 Å²	54.9	28%	0.283	28%	0.283	S	S	.	.			trans	-126.9	101.3	165.4	-174.1	-19.9	0	0	0	108.3	D179 I180 Y519	D177-D179 VanDerWaalsContact C-N 3.32Å; D177-D179 PolarHBondContact OD1-N 2.83Å; D177-I180 HydrophobicContact CB-CD1 3.89Å; D177-I180 HydrophobicContact CB-CG1 4.35Å; D177-I180 PolarHBondContact OD1-N 2.76Å; D177-I180 WeakPolarHBondContact OD2-CD1 3.14Å; D177-Y519 CarbonylContact C-O 3.6Å; D177-Y519 HydrophobicContact CB-CE1 3.8Å; D177-Y519 HydrophobicContact CB-CE2 4.29Å; D177-Y519 WeakPolarHBondContact CB-OH 3.48Å; D177-Y519 PolarHBondContact N-O 2.94Å
178	L	98.3	Very high	88.9	Confident	8 Å²	8	54.9 Å²	54.9	4%	0.042	27%	0.274	C	S	.	.			trans	-87.2	-2.5	-178.2	-55.7	-175.5	0	0	0	112.5	W176 K446 L449 L450 Y453 R521	W176-L178 HydrophobicContact CB-CD2 4.19Å; W176-L178 HydrophobicContact CG-CD2 4.32Å; W176-L178 HydrophobicContact CG-CG 4.24Å; L178-K446 HydrophobicContact CD1-CG 4.47Å; L178-L449 HydrophobicContact CD1-CB 3.69Å; L178-L449 HydrophobicContact CD1-CD1 4.22Å; L178-L450 HydrophobicContact CD1-CD2 3.99Å; L178-L450 HydrophobicContact CD1-CG 4.05Å; L178-L450 HydrophobicContact CD2-CD2 3.68Å; L178-L450 HydrophobicContact CD2-CG 4.4Å; L178-L450 HydrophobicContact CG-CD2 4.44Å; L178-Y453 HydrophobicContact CB-CE2 4.19Å; L178-R521 HydrophobicContact CB-CB 4.25Å; L178-R521 HydrophobicContact CD2-CB 4.02Å; L178-R521 VanDerWaalsContact O-CD 3.27Å; L178-R521 WeakPolarHBondContact O-CD 3.34Å; L178-R521 PolarHBondContact O-NH1 3.41Å
179	D	97.8	Very high	90.5	Very high	114 Å²	114	54.6 Å²	54.6	61%	0.61	27%	0.268	S	S	*	.			trans	-88.1	-26.3	-177.3	-67.5	-28.2	0	0	0	111.7	D177 Q181 Y453 R521	D177-D179 VanDerWaalsContact C-N 3.32Å; D177-D179 PolarHBondContact OD1-N 2.83Å; D179-Q181 PolarHBondContact O-N 3.25Å; D179-Q181 VanDerWaalsContact O-N 3.15Å; D179-Y453 PolarHBondContact OD1-OH 3.09Å; D179-R521 PolarHBondContact O-NH1 2.89Å
180	I	98.3	Very high	91.8	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.087	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-55.7	118.5	174	-65.6	170.2	0	0	0	111	D177 H502 Y519 F520 R521 Q522	D177-I180 HydrophobicContact CB-CD1 3.89Å; D177-I180 HydrophobicContact CB-CG1 4.35Å; D177-I180 PolarHBondContact OD1-N 2.76Å; D177-I180 WeakPolarHBondContact OD2-CD1 3.14Å; I180-H502 HydrophobicContact CD1-CB 4.27Å; I180-H502 VanDerWaalsContact CG2-CE1 3.47Å; I180-H502 WeakPolarHBondContact CG2-CE1 3.5Å; I180-Y519 HydrophobicContact CD1-CE1 4.15Å; I180-F520 HydrophobicContact CB-CD1 4.01Å; I180-F520 HydrophobicContact CB-CE1 4.33Å; I180-F520 HydrophobicContact CD1-CD1 4.02Å; I180-F520 HydrophobicContact CD1-CE1 3.65Å; I180-F520 HydrophobicContact CG2-CD1 3.84Å; I180-F520 HydrophobicContact CG2-CE1 3.94Å; I180-R521 PolarHBondContact O-NH1 3.17Å; I180-R521 VanDerWaalsContact O-NH1 3.1Å; I180-Q522 PolarHBondContact O-NE2 2.86Å
181	Q	98.5	Very high	92.9	Very high	123 Å²	123	49.3 Å²	49.3	58%	0.575	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-79.6	153.2	178.8	-46.9	-161.1	-15.1	0	0	112	D179 S508	D179-Q181 PolarHBondContact O-N 3.25Å; D179-Q181 VanDerWaalsContact O-N 3.15Å; Q181-S508 WeakPolarHBondContact O-CB 3.07Å
182	T	98.7	Very high	94	Very high	24 Å²	24	48.8 Å²	48.8	15%	0.147	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69.2	140.9	177.3	-175.4	0	0	0	0	111.4	A184 Y403 C404	T182-A184 WeakPolarHBondContact OG1-CB 3.23Å; T182-A184 PolarHBondContact OG1-N 3.46Å; T182-Y403 HydrophobicContact CG2-CD1 4.42Å; T182-C404 PolarHBondContact OG1-SG 3.04Å
183	N	98.7	Very high	95.1	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	26%	0.258	C	S	.	.			trans	-107.8	5.6	161.4	65.5	16.1	0	0	0	112.8	V185 G506 S508 G548 S549	N183-V185 PolarHBondContact O-N 2.89Å; N183-G506 PolarHBondContact ND2-O 3.1Å; N183-S508 PolarHBondContact N-OG 2.85Å; N183-S508 PolarHBondContact OD1-OG 3.33Å; N183-G548 WeakPolarHBondContact O-CA 3.41Å; N183-G548 WeakPolarHBondContact OD1-CA 3.4Å; N183-S549 PolarHBondContact OD1-N 2.93Å; N183-S549 VanDerWaalsContact OD1-N 3.1Å
184	A	98.8	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.			trans	-74.8	120.6	177.9	0	0	0	0	0	110.5	T182 Y403 C404 F509 F543 S547 F550	T182-A184 WeakPolarHBondContact OG1-CB 3.23Å; T182-A184 PolarHBondContact OG1-N 3.46Å; A184-Y403 CarbonylContact O-C 3.5Å; A184-Y403 WeakPolarHBondContact O-CA 3.41Å; A184-C404 HydrophobicContact CB-CB 4.17Å; A184-C404 PolarHBondContact O-N 2.93Å; A184-F509 HydrophobicContact CB-CD2 4.1Å; A184-F543 HydrophobicContact CB-CZ 4.23Å; A184-S547 CarbonylContact C-O 3.56Å; A184-S547 VanDerWaalsContact CA-O 3.29Å; A184-S547 WeakPolarHBondContact CA-O 3.41Å; A184-F550 HydrophobicContact CB-CE1 3.64Å; A184-F550 HydrophobicContact CB-CZ 3.48Å; A184-F550 VanDerWaalsContact CB-CZ 3.48Å
185	V	98.8	Very high	96.4	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.8	178.2	-179	0	0	0	0	109	N183 L401 V402 Y403 P545 L546 S547	N183-V185 PolarHBondContact O-N 2.89Å; V185-L401 HydrophobicContact CG1-CB 4.06Å; V185-V402 WeakPolarHBondContact CA-O 3.23Å; V185-Y403 HydrophobicContact CG2-CD1 4.03Å; V185-Y403 HydrophobicContact CG2-CE1 3.96Å; V185-P545 CarbonylContact O-C 3.45Å; V185-P545 WeakPolarHBondContact O-CA 3.42Å; V185-L546 PolarHBondContact O-N 3.24Å; V185-S547 PolarHBondContact N-O 3.17Å
186	I	98.3	Very high	96.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.4	177.2	58.3	173.5	0	0	0	110.3	R189 L401 V402 C404 Y405 F543	I186-R189 HydrophobicContact CD1-CG 4.45Å; I186-L401 WeakPolarHBondContact O-CA 3.32Å; I186-V402 HydrophobicContact CG1-CG2 4.02Å; I186-V402 PolarHBondContact N-O 3.42Å; I186-V402 PolarHBondContact O-N 2.89Å; I186-C404 HydrophobicContact CD1-CB 4.19Å; I186-C404 HydrophobicContact CG1-CB 4.32Å; I186-C404 HydrophobicContact CG2-CB 4.31Å; I186-Y405 HydrophobicContact CD1-CD1 4.46Å; I186-Y405 HydrophobicContact CD1-CE1 4.07Å; I186-F543 HydrophobicContact CG2-CD2 4.26Å; I186-F543 HydrophobicContact CG2-CE2 3.45Å; I186-F543 VanDerWaalsContact CG2-CE2 3.45Å; I186-F543 HydrophobicContact CG2-CZ 3.65Å
187	K	96.7	Very high	96.6	Very high	123 Å²	123	42.3 Å²	42.3	54%	0.535	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.9	157.1	-169.5	174.9	-179.4	-179.9	0	108.3	R189 L401	K187-R189 PolarHBondContact O-N 3.48Å; K187-L401 HydrophobicContact CB-CD2 4.48Å
188	H	94	Very high	96.6	Very high	52 Å²	52	40.6 Å²	40.6	24%	0.241	21%	0.212	C	C	.	.			trans	-55.1	129.5	175.4	-170.1	39.4	0	0	0	109.4	V397 R400 V402 Y405	H188-V397 HydrophobicContact CB-CG1 4.09Å; H188-V397 WeakPolarHBondContact CD2-CG1 3.33Å; H188-R400 HydrophobicContact CB-CG 3.98Å; H188-R400 PolarHBondContact N-O 3.35Å; H188-V402 HydrophobicContact CB-CG1 4.47Å; H188-V402 HydrophobicContact CB-CG2 4.12Å; H188-Y405 AromaticContact CE1-CZ 3.86Å; H188-Y405 PolarHBondContact CE1-OH 3.25Å; H188-Y405 VanDerWaalsContact CE1-OH 3.29Å; H188-Y405 AromaticContact ND1-CE1 3.59Å; H188-Y405 AromaticContact ND1-CZ 3.53Å; H188-Y405 PolarHBondContact ND1-OH 3.47Å
189	R	92.5	Very high	96.6	Very high	61 Å²	61	40.2 Å²	40.2	23%	0.23	21%	0.21	C	C	.	.			trans	-120	147.8	-174	62.6	178.5	177.7	174.8	1.3	110.7	I186 K187 Y405 R537	I186-R189 HydrophobicContact CD1-CG 4.45Å; K187-R189 PolarHBondContact O-N 3.48Å; R189-Y405 PolarHBondContact N-OH 3.2Å; R189-Y405 VanDerWaalsContact N-OH 3.17Å; R189-Y405 PolarHBondContact O-OH 3.17Å; R189-R537 PolarHBondContact NH1-O 3.29Å; R189-R537 PolarHBondContact NH2-O 3.06Å
190	G	91.1	Very high	96.7	Very high	38 Å²	38	36.8 Å²	36.8	39%	0.392	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-61.7	166.1	171.3	0	0	0	0	0	112.3
191	P	93.5	Very high	96.7	Very high	41 Å²	41	36 Å²	36	27%	0.266	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-64	160.4	171	30.3	-34.6	0	0	0	111.3	R408 A410	P191-R408 CarbonylContact C-O 3.04Å; P191-R408 WeakPolarHBondContact CA-O 3.14Å; P191-R408 HydrophobicContact CB-CB 4.24Å; P191-A410 HydrophobicContact CB-CB 4Å; P191-A410 HydrophobicContact CG-CB 3.8Å
192	S	93.9	Very high	96.7	Very high	32 Å²	32	30.2 Å²	30.2	22%	0.224	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-83.9	143.6	176.1	-177.9	0	0	0	0	110.8	V194 R408 L409 A410	S192-V194 PolarHBondContact O-N 3.31Å; S192-V194 WeakPolarHBondContact OG-CG2 3.18Å; S192-V194 PolarHBondContact OG-N 3Å; S192-R408 PolarHBondContact N-O 3.35Å; S192-L409 WeakPolarHBondContact O-CA 3.43Å; S192-A410 PolarHBondContact O-N 3.34Å
193	E	93.1	Very high	96.7	Very high	119 Å²	119	29.8 Å²	29.8	56%	0.556	16%	0.156	S	C	*	.			trans	-77.8	-0.3	177.3	-58.3	-52.7	138.9	0	0	114	L195	E193-L195 PolarHBondContact O-N 2.82Å
194	V	95.1	Very high	96.7	Very high	27 Å²	27	29.8 Å²	29.8	16%	0.164	16%	0.156	C	C	.	.	S	Bend	trans	-69.2	133	175.5	-168.8	0	0	0	0	109.1	S192 P249 P528 D529	S192-V194 PolarHBondContact O-N 3.31Å; S192-V194 WeakPolarHBondContact OG-CG2 3.18Å; S192-V194 PolarHBondContact OG-N 3Å; V194-P249 HydrophobicContact CG1-CB 4.31Å; V194-P249 HydrophobicContact CG1-CG 4.4Å; V194-P528 HydrophobicContact CG2-CG 4.1Å; V194-D529 HydrophobicContact CB-CB 4.39Å; V194-D529 HydrophobicContact CG1-CB 3.62Å
195	L	97.4	Very high	96.7	Very high	5 Å²	5	30 Å²	30	3%	0.026	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-70.4	142.7	-176.9	-61.4	-179.8	0	0	0	111.6	E193 H379 L380 L383 V411	E193-L195 PolarHBondContact O-N 2.82Å; L195-H379 WeakPolarHBondContact CB-CE1 3.42Å; L195-H379 HydrophobicContact CD1-CB 4.03Å; L195-L380 HydrophobicContact CD1-CD2 3.94Å; L195-L383 HydrophobicContact CD1-CD1 4Å; L195-L383 HydrophobicContact CD2-CD1 3.83Å; L195-L383 HydrophobicContact CG-CD1 4.39Å; L195-V411 HydrophobicContact CD2-CB 4.28Å; L195-V411 HydrophobicContact CD2-CG1 4.46Å; L195-V411 HydrophobicContact CD2-CG2 3.85Å
196	P	98.1	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-54.7	138.9	175.3	-26.9	34.6	0	0	0	113.2	H379 L409 V411 A413	P196-H379 PolarHBondContact O-CE1 3.22Å; P196-H379 PolarHBondContact O-NE2 3.1Å; P196-L409 HydrophobicContact CB-CD1 4.06Å; P196-L409 HydrophobicContact CG-CB 4.39Å; P196-L409 HydrophobicContact CG-CD1 3.98Å; P196-V411 HydrophobicContact CG-CB 4.43Å; P196-V411 WeakPolarHBondContact CG-O 3.48Å; P196-A413 HydrophobicContact CB-CB 3.82Å; P196-A413 HydrophobicContact CG-CB 4.24Å
197	P	98.5	Very high	96.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-68.4	148	-176.9	30.8	-36.3	0	0	0	110.7	M416 C470 D529 T530 Y533	P197-M416 WeakPolarHBondContact O-CE 3.48Å; P197-C470 HydrophobicContact CB-CB 4.19Å; P197-D529 WeakPolarHBondContact CD-O 3.22Å; P197-D529 WeakPolarHBondContact CG-O 3.4Å; P197-T530 HydrophobicContact CB-CG2 3.87Å; P197-T530 HydrophobicContact CG-CG2 4.26Å; P197-Y533 HydrophobicContact CG-CE2 3.83Å
198	H	98.8	Very high	96.8	Very high	17 Å²	17	28 Å²	28	8%	0.079	15%	0.149	C	C	.	.			trans	-140.5	136.4	174.9	-175.8	-87.2	0	0	0	109.7	E200 V201 E202 P417 C470	H198-E200 VanDerWaalsContact C-N 3.25Å; H198-E200 VanDerWaalsContact ND1-CB 3.32Å; H198-E200 WeakPolarHBondContact ND1-CB 3.38Å; H198-E200 PolarHBondContact ND1-N 3.38Å; H198-E200 VanDerWaalsContact ND1-N 3.18Å; H198-E200 PolarHBondContact O-N 2.73Å; H198-E200 VanDerWaalsContact O-N 3.15Å; H198-V201 HydrophobicContact CB-CG2 4.12Å; H198-V201 PolarHBondContact O-N 2.86Å; H198-E202 PolarHBondContact O-N 3.5Å; H198-P417 WeakPolarHBondContact NE2-CD 3.45Å; H198-C470 VanDerWaalsContact C-SG 3.6Å
199	P	98.8	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-54.4	-37.1	-175.7	-30.9	37.2	0	0	0	114.5	V201 E202 L203 P417 Y432 P466 W469 C470	P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 3.35Å; P199-E202 PolarHBondContact O-N 3.26Å; P199-L203 VanDerWaalsContact O-CB 3.28Å; P199-L203 WeakPolarHBondContact O-CB 3.38Å; P199-L203 PolarHBondContact O-N 3.25Å; P199-P417 HydrophobicContact CB-CG 3.99Å; P199-P417 HydrophobicContact CG-CG 3.78Å; P199-Y432 HydrophobicContact CB-CD1 3.67Å; P199-Y432 HydrophobicContact CB-CD2 4.05Å; P199-Y432 HydrophobicContact CB-CE1 3.65Å; P199-Y432 HydrophobicContact CB-CE2 4.03Å; P199-Y432 HydrophobicContact CB-CG 3.87Å; P199-P466 HydrophobicContact CG-CB 3.81Å; P199-W469 HydrophobicContact CB-CE3 3.82Å; P199-W469 HydrophobicContact CB-CZ3 3.91Å; P199-W469 HydrophobicContact CG-CE3 4.42Å; P199-W469 WeakPolarHBondContact O-CZ3 3.49Å; P199-C470 VanDerWaalsContact N-SG 3.44Å
200	E	98.6	Very high	97.2	Very high	42 Å²	42	25.8 Å²	25.8	20%	0.196	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-36.5	176.4	-162.6	67.5	-176.8	0	0	113.2	H198 L204 I382 Y432 K433	H198-E200 VanDerWaalsContact C-N 3.25Å; H198-E200 VanDerWaalsContact ND1-CB 3.32Å; H198-E200 WeakPolarHBondContact ND1-CB 3.38Å; H198-E200 PolarHBondContact ND1-N 3.38Å; H198-E200 VanDerWaalsContact ND1-N 3.18Å; H198-E200 PolarHBondContact O-N 2.73Å; H198-E200 VanDerWaalsContact O-N 3.15Å; E200-L204 PolarHBondContact O-N 2.86Å; E200-L204 VanDerWaalsContact O-N 3.12Å; E200-I382 HydrophobicContact CB-CD1 3.95Å; E200-I382 HydrophobicContact CG-CD1 4.25Å; E200-Y432 WeakPolarHBondContact OE2-CE1 3.33Å; E200-Y432 PolarHBondContact OE2-OH 3.23Å; E200-K433 IonicContact OE1-NZ 2.87Å; E200-K433 PolarHBondContact OE1-NZ 3.5Å; E200-K433 WeakPolarHBondContact OE2-CE 3.26Å; E200-K433 IonicContact OE2-NZ 2.74Å; E200-K433 PolarHBondContact OE2-NZ 3.01Å
201	V	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-75.3	-42.5	179.4	-177.7	0	0	0	0	109.9	H198 P199 L203 L204 R205 I375 H379 I382	H198-V201 HydrophobicContact CB-CG2 4.12Å; H198-V201 PolarHBondContact O-N 2.86Å; P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 3.35Å; V201-L203 VanDerWaalsContact C-N 3.28Å; V201-L203 PolarHBondContact O-N 3.36Å; V201-L204 PolarHBondContact O-N 2.88Å; V201-R205 WeakPolarHBondContact O-CB 3.36Å; V201-R205 PolarHBondContact O-N 2.86Å; V201-I375 HydrophobicContact CG1-CG2 3.82Å; V201-H379 HydrophobicContact CG1-CB 4.19Å; V201-H379 HydrophobicContact CG2-CB 4.03Å; V201-I382 HydrophobicContact CG2-CD1 3.61Å
202	E	98.8	Very high	97.8	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-61.9	-36.7	173.1	-74.2	-39.8	116.8	0	0	112.4	H198 P199 R205 S206 W469 C470 R474	H198-E202 PolarHBondContact O-N 3.5Å; P199-E202 PolarHBondContact O-N 3.26Å; E202-R205 VanDerWaalsContact CD-NH1 3.26Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-R205 IonicContact OE1-CZ 3.79Å; E202-R205 IonicContact OE1-NH1 3.95Å; E202-R205 PolarHBondContact OE1-NH1 3.08Å; E202-R205 IonicContact OE2-NH1 2.68Å; E202-R205 PolarHBondContact OE2-NH1 3.35Å; E202-S206 VanDerWaalsContact O-CB 3.31Å; E202-S206 WeakPolarHBondContact O-CB 3.29Å; E202-S206 PolarHBondContact O-N 3.41Å; E202-S206 PolarHBondContact O-OG 3.14Å; E202-W469 HydrophobicContact CB-CZ3 3.79Å; E202-C470 HydrophobicContact CG-CB 3.66Å; E202-C470 VanDerWaalsContact CG-SG 3.58Å; E202-R474 IonicContact OE1-CZ 3.61Å; E202-R474 IonicContact OE1-NE 2.78Å; E202-R474 IonicContact OE1-NH2 3.38Å; E202-R474 PolarHBondContact OE1-NH2 2.95Å; E202-R474 IonicContact OE2-CZ 3.77Å; E202-R474 IonicContact OE2-NE 2.76Å; E202-R474 PolarHBondContact OE2-NE 3.43Å; E202-R474 IonicContact OE2-NH2 2.61Å; E202-R474 PolarHBondContact OE2-NH2 2.79Å
203	L	98.7	Very high	98	Very high	15 Å²	15	26.7 Å²	26.7	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-50.4	174.9	-178.4	55.9	0	0	0	110.9	P199 V201 R205 S206 Q207 Y432 K433 E435 W469	P199-L203 VanDerWaalsContact O-CB 3.28Å; P199-L203 WeakPolarHBondContact O-CB 3.38Å; P199-L203 PolarHBondContact O-N 3.25Å; V201-L203 VanDerWaalsContact C-N 3.28Å; V201-L203 PolarHBondContact O-N 3.36Å; L203-R205 PolarHBondContact O-N 3.39Å; L203-S206 PolarHBondContact O-N 2.92Å; L203-S206 PolarHBondContact O-OG 2.92Å; L203-Q207 WeakPolarHBondContact O-CG 3.23Å; L203-Q207 PolarHBondContact O-N 2.92Å; L203-Q207 VanDerWaalsContact O-N 3.12Å; L203-Y432 HydrophobicContact CD2-CD1 4.46Å; L203-Y432 HydrophobicContact CD2-CE1 4.2Å; L203-K433 HydrophobicContact CD2-CB 4.48Å; L203-K433 HydrophobicContact CD2-CD 4.33Å; L203-E435 HydrophobicContact CD1-CB 4.47Å; L203-E435 HydrophobicContact CD1-CG 3.67Å; L203-W469 HydrophobicContact CB-CH2 4.12Å
204	L	98.8	Very high	98.2	Very high	37 Å²	37	24.7 Å²	24.7	19%	0.194	12%	0.118	C	C	.	.	H	α-helix	trans	-59.2	-47.1	175.4	176	60.9	0	0	0	111.7	E200 V201 S206 Q207 L208 I375 K378	E200-L204 PolarHBondContact O-N 2.86Å; E200-L204 VanDerWaalsContact O-N 3.12Å; V201-L204 PolarHBondContact O-N 2.88Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 2.9Å; L204-Q207 PolarHBondContact O-N 2.87Å; L204-L208 HydrophobicContact CD1-CD1 3.85Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 3.89Å; L204-L208 HydrophobicContact CG-CG 4.46Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.04Å; L204-I375 HydrophobicContact CD2-CG1 4.49Å; L204-I375 HydrophobicContact CG-CG1 4.44Å; L204-K378 HydrophobicContact CD2-CB 3.65Å; L204-K378 HydrophobicContact CD2-CG 3.84Å
205	R	98.8	Very high	98.4	Very high	6 Å²	6	26.5 Å²	26.5	2%	0.023	12%	0.124	C	C	.	.	H	α-helix	trans	-56.9	-44.3	177.3	-177.8	175.5	-66.3	101.7	-6.6	111.1	V201 E202 L203 Q207 L208 I209 D248 I375	V201-R205 WeakPolarHBondContact O-CB 3.36Å; V201-R205 PolarHBondContact O-N 2.86Å; E202-R205 VanDerWaalsContact CD-NH1 3.26Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-R205 IonicContact OE1-CZ 3.79Å; E202-R205 IonicContact OE1-NH1 3.95Å; E202-R205 PolarHBondContact OE1-NH1 3.08Å; E202-R205 IonicContact OE2-NH1 2.68Å; E202-R205 PolarHBondContact OE2-NH1 3.35Å; L203-R205 PolarHBondContact O-N 3.39Å; R205-Q207 PolarHBondContact O-N 3.48Å; R205-L208 PolarHBondContact O-N 2.97Å; R205-I209 HydrophobicContact CG-CD1 3.81Å; R205-I209 HydrophobicContact CG-CG1 4.42Å; R205-I209 WeakPolarHBondContact O-CG1 3.38Å; R205-I209 PolarHBondContact O-N 2.61Å; R205-D248 IonicContact CZ-OD2 2.85Å; R205-D248 IonicContact NE-OD1 3.21Å; R205-D248 PolarHBondContact NE-OD1 3.44Å; R205-D248 IonicContact NE-OD2 3.28Å; R205-D248 PolarHBondContact NE-OD2 3.19Å; R205-D248 IonicContact NH2-OD2 2.89Å; R205-D248 PolarHBondContact NH2-OD2 3.32Å; R205-I375 HydrophobicContact CB-CD1 3.98Å; R205-I375 HydrophobicContact CB-CG1 4.47Å; R205-I375 HydrophobicContact CG-CD1 3.93Å; R205-I375 VanDerWaalsContact NH2-CG2 3.32Å
206	S	98.2	Very high	98.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-44.8	178.6	73.8	0	0	0	0	112.7	E202 L203 L204 L208 I209 L210 R473 M477	E202-S206 VanDerWaalsContact O-CB 3.31Å; E202-S206 WeakPolarHBondContact O-CB 3.29Å; E202-S206 PolarHBondContact O-N 3.41Å; E202-S206 PolarHBondContact O-OG 3.14Å; L203-S206 PolarHBondContact O-N 2.92Å; L203-S206 PolarHBondContact O-OG 2.92Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 2.9Å; S206-L208 VanDerWaalsContact C-N 3.34Å; S206-L208 PolarHBondContact O-N 3.3Å; S206-I209 PolarHBondContact O-N 3.01Å; S206-L210 WeakPolarHBondContact O-CG 3.36Å; S206-L210 PolarHBondContact O-N 3.26Å; S206-L210 VanDerWaalsContact O-N 3.11Å; S206-R473 PolarHBondContact OG-NE 2.82Å; S206-R473 PolarHBondContact OG-NH2 3.3Å; S206-M477 WeakPolarHBondContact CB-SD 3.32Å
207	Q	98.4	Very high	98.4	Very high	90 Å²	90	31.6 Å²	31.6	42%	0.421	14%	0.143	S	C	.	.	H	α-helix	trans	-64.6	-39.4	177.8	-66.9	170.7	2.6	0	0	112	L203 L204 R205 K211	L203-Q207 WeakPolarHBondContact O-CG 3.23Å; L203-Q207 PolarHBondContact O-N 2.92Å; L203-Q207 VanDerWaalsContact O-N 3.12Å; L204-Q207 PolarHBondContact O-N 2.87Å; R205-Q207 PolarHBondContact O-N 3.48Å; Q207-K211 WeakPolarHBondContact O-CG 3.22Å; Q207-K211 PolarHBondContact O-N 3.35Å; Q207-K211 VanDerWaalsContact O-N 3.11Å
208	L	98.7	Very high	98.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-70.8	-36.7	178.9	-69.1	174.8	0	0	0	112.3	L204 R205 S206 K211 L212 Y371 I375	L204-L208 HydrophobicContact CD1-CD1 3.85Å; L204-L208 HydrophobicContact CD1-CG 4.06Å; L204-L208 HydrophobicContact CG-CD1 3.89Å; L204-L208 HydrophobicContact CG-CG 4.46Å; L204-L208 WeakPolarHBondContact O-CG 3.49Å; L204-L208 PolarHBondContact O-N 3.04Å; R205-L208 PolarHBondContact O-N 2.97Å; S206-L208 VanDerWaalsContact C-N 3.34Å; S206-L208 PolarHBondContact O-N 3.3Å; L208-K211 PolarHBondContact O-N 3.38Å; L208-L212 WeakPolarHBondContact O-CB 3.31Å; L208-L212 PolarHBondContact O-N 2.67Å; L208-Y371 HydrophobicContact CB-CD2 3.72Å; L208-Y371 HydrophobicContact CB-CE2 4.23Å; L208-Y371 HydrophobicContact CB-CG 4.06Å; L208-Y371 HydrophobicContact CD1-CG 4.32Å; L208-Y371 HydrophobicContact CD2-CD1 3.92Å; L208-Y371 HydrophobicContact CD2-CD2 4.09Å; L208-Y371 HydrophobicContact CD2-CE1 4.05Å; L208-Y371 HydrophobicContact CD2-CE2 4.18Å; L208-Y371 HydrophobicContact CD2-CG 3.94Å; L208-Y371 HydrophobicContact CG-CD2 4.38Å; L208-Y371 HydrophobicContact CG-CG 4.32Å; L208-Y371 WeakPolarHBondContact O-CD2 3.37Å; L208-Y371 VanDerWaalsContact O-CE2 3.22Å; L208-Y371 WeakPolarHBondContact O-CE2 3.49Å; L208-I375 HydrophobicContact CD1-CD1 3.94Å; L208-I375 HydrophobicContact CD1-CG1 3.6Å
209	I	98.3	Very high	98.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.3	-43.3	174.2	-71.4	170.4	0	0	0	111.1	R205 S206 K211 L212 R213 L250 L251 M477	R205-I209 HydrophobicContact CG-CD1 3.81Å; R205-I209 HydrophobicContact CG-CG1 4.42Å; R205-I209 WeakPolarHBondContact O-CG1 3.38Å; R205-I209 PolarHBondContact O-N 2.61Å; S206-I209 PolarHBondContact O-N 3.01Å; I209-K211 VanDerWaalsContact C-N 3.3Å; I209-K211 PolarHBondContact O-N 2.92Å; I209-L212 PolarHBondContact O-N 3.46Å; I209-L212 VanDerWaalsContact O-N 3.13Å; I209-R213 WeakPolarHBondContact O-CG 3.23Å; I209-R213 PolarHBondContact O-N 3.44Å; I209-L250 HydrophobicContact CD1-CD2 3.21Å; I209-L250 HydrophobicContact CD1-CG 3.84Å; I209-L251 HydrophobicContact CG1-CD1 4.22Å; I209-L251 HydrophobicContact CG1-CD2 4.07Å; I209-L251 HydrophobicContact CG1-CG 4.2Å; I209-M477 HydrophobicContact CD1-CB 3.8Å; I209-M477 HydrophobicContact CD1-CG 4.49Å; I209-M477 HydrophobicContact CG2-CB 4.34Å
210	L	97.6	Very high	98.4	Very high	66 Å²	66	34.9 Å²	34.9	35%	0.346	16%	0.159	S	C	.	.	H	α-helix	trans	-60.6	-41.3	175.9	-68.7	173.5	0	0	0	111.5	S206 R213 Q214 M477 V481	S206-L210 WeakPolarHBondContact O-CG 3.36Å; S206-L210 PolarHBondContact O-N 3.26Å; S206-L210 VanDerWaalsContact O-N 3.11Å; L210-R213 PolarHBondContact O-N 2.94Å; L210-Q214 WeakPolarHBondContact O-CB 3.28Å; L210-Q214 PolarHBondContact O-N 3.44Å; L210-M477 HydrophobicContact CG-SD 4.41Å; L210-V481 HydrophobicContact CD2-CG1 4.12Å; L210-V481 HydrophobicContact CD2-CG2 3.83Å
211	K	98.4	Very high	98.3	Very high	107 Å²	107	37 Å²	37	47%	0.465	17%	0.169	S	C	.	.	H	α-helix	trans	-63.5	-40.2	173	-72.7	177.2	-179.3	-179.4	0	112.4	Q207 L208 I209 Q214 H215 Y371	Q207-K211 WeakPolarHBondContact O-CG 3.22Å; Q207-K211 PolarHBondContact O-N 3.35Å; Q207-K211 VanDerWaalsContact O-N 3.11Å; L208-K211 PolarHBondContact O-N 3.38Å; I209-K211 VanDerWaalsContact C-N 3.3Å; I209-K211 PolarHBondContact O-N 2.92Å; K211-Q214 WeakPolarHBondContact O-CB 3.38Å; K211-Q214 PolarHBondContact O-N 3.44Å; K211-H215 PolarHBondContact O-CD2 3.35Å; K211-H215 VanDerWaalsContact O-CD2 3.32Å; K211-H215 PolarHBondContact O-N 2.95Å; K211-Y371 HydrophobicContact CB-CE2 4.09Å
212	L	98.6	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-42	179.1	-169.7	61.2	0	0	0	111.8	L208 I209 Q214 H215 Y216 F233 W236 L251 I364 I367 Y371	L208-L212 WeakPolarHBondContact O-CB 3.31Å; L208-L212 PolarHBondContact O-N 2.67Å; I209-L212 PolarHBondContact O-N 3.46Å; I209-L212 VanDerWaalsContact O-N 3.13Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 2.9Å; L212-H215 PolarHBondContact O-N 2.83Å; L212-Y216 PolarHBondContact O-N 3.11Å; L212-F233 HydrophobicContact CB-CZ 4.27Å; L212-F233 HydrophobicContact CD2-CE2 4.17Å; L212-F233 HydrophobicContact CD2-CZ 3.87Å; L212-F233 HydrophobicContact CG-CE2 3.91Å; L212-F233 HydrophobicContact CG-CZ 3.93Å; L212-W236 HydrophobicContact CD2-CH2 4.14Å; L212-W236 HydrophobicContact CD2-CZ3 4.17Å; L212-L251 HydrophobicContact CD2-CD2 3.67Å; L212-I364 HydrophobicContact CD1-CD1 4.14Å; L212-I364 HydrophobicContact CD1-CG2 4.19Å; L212-I364 HydrophobicContact CG-CG2 4.49Å; L212-I367 HydrophobicContact CD1-CB 3.82Å; L212-I367 HydrophobicContact CD1-CG2 3.61Å; L212-Y371 HydrophobicContact CB-CD2 4.24Å; L212-Y371 HydrophobicContact CB-CE2 4.01Å; L212-Y371 HydrophobicContact CD1-CE2 4.45Å
213	R	97.8	Very high	98	Very high	24 Å²	24	48.8 Å²	48.8	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-41.1	171.7	-70.8	-178	-172.9	-88.2	-7.8	111.7	I209 L210 Y216 R217 F233 N234 M477 M478 E485	I209-R213 WeakPolarHBondContact O-CG 3.23Å; I209-R213 PolarHBondContact O-N 3.44Å; L210-R213 PolarHBondContact O-N 2.94Å; R213-Y216 PolarHBondContact O-N 2.84Å; R213-R217 PolarHBondContact O-N 3.41Å; R213-R217 VanDerWaalsContact O-N 3.07Å; R213-F233 HydrophobicContact CG-CD1 3.74Å; R213-F233 HydrophobicContact CG-CD2 4.33Å; R213-F233 HydrophobicContact CG-CE1 3.6Å; R213-F233 HydrophobicContact CG-CE2 4.22Å; R213-F233 HydrophobicContact CG-CG 4.1Å; R213-F233 HydrophobicContact CG-CZ 3.85Å; R213-F233 VanDerWaalsContact CZ-CD1 3.45Å; R213-N234 VanDerWaalsContact CZ-OD1 3.22Å; R213-N234 PolarHBondContact NH1-OD1 3.14Å; R213-N234 PolarHBondContact NH2-OD1 2.91Å; R213-M477 PolarHBondContact NH2-O 2.98Å; R213-M478 PolarHBondContact NH2-O 3.35Å; R213-M478 VanDerWaalsContact NH2-O 3.14Å; R213-E485 IonicContact CZ-OE1 3.55Å; R213-E485 IonicContact NH1-OE1 3.61Å; R213-E485 PolarHBondContact NH1-OE1 3.43Å
214	Q	97.7	Very high	97.8	Very high	76 Å²	76	49.1 Å²	49.1	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-46.5	176.2	179.7	59	33.1	0	0	111.6	L210 K211 L212 Y216 R217 E218	L210-Q214 WeakPolarHBondContact O-CB 3.28Å; L210-Q214 PolarHBondContact O-N 3.44Å; K211-Q214 WeakPolarHBondContact O-CB 3.38Å; K211-Q214 PolarHBondContact O-N 3.44Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 2.9Å; Q214-Y216 VanDerWaalsContact C-N 3.27Å; Q214-Y216 PolarHBondContact O-N 3.48Å; Q214-R217 WeakPolarHBondContact O-CB 3.46Å; Q214-R217 PolarHBondContact O-N 3.48Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.35Å; Q214-E218 PolarHBondContact NE2-OE1 3.43Å; Q214-E218 WeakPolarHBondContact O-CG 3.17Å; Q214-E218 PolarHBondContact O-N 3.31Å
215	H	98.6	Very high	97.6	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-37.1	174.6	-76.4	-43.9	0	0	0	112.6	K211 L212 E218 L219 I364 I367 Y371	K211-H215 PolarHBondContact O-CD2 3.35Å; K211-H215 VanDerWaalsContact O-CD2 3.32Å; K211-H215 PolarHBondContact O-N 2.95Å; L212-H215 PolarHBondContact O-N 2.83Å; H215-E218 IonicContact ND1-OE2 3.66Å; H215-E218 PolarHBondContact ND1-OE2 3.45Å; H215-E218 PolarHBondContact O-N 3.42Å; H215-L219 WeakPolarHBondContact O-CB 3.5Å; H215-L219 VanDerWaalsContact O-CG 3.25Å; H215-L219 WeakPolarHBondContact O-CG 3.25Å; H215-L219 PolarHBondContact O-N 3.39Å; H215-I364 HydrophobicContact CB-CD1 4.12Å; H215-I367 HydrophobicContact CB-CD1 4.2Å; H215-Y371 PolarHBondContact CD2-OH 2.93Å; H215-Y371 PolarHBondContact NE2-OH 3.43Å
216	Y	98.6	Very high	97.4	Very high	4 Å²	4	50 Å²	50	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-46	176.1	179.3	-135	0	0	0	111.8	L212 R213 Q214 L219 C220 P228 S232 F233 M263 I267 I360 I364	L212-Y216 PolarHBondContact O-N 3.11Å; R213-Y216 PolarHBondContact O-N 2.84Å; Q214-Y216 VanDerWaalsContact C-N 3.27Å; Q214-Y216 PolarHBondContact O-N 3.48Å; Y216-L219 PolarHBondContact O-N 2.85Å; Y216-C220 WeakPolarHBondContact CE2-SG 3.41Å; Y216-C220 PolarHBondContact O-N 3.21Å; Y216-P228 HydrophobicContact CD1-CB 3.99Å; Y216-P228 HydrophobicContact CD1-CG 4.11Å; Y216-P228 HydrophobicContact CE1-CB 3.57Å; Y216-P228 HydrophobicContact CE1-CG 4.15Å; Y216-S232 VanDerWaalsContact CE1-OG 3.26Å; Y216-S232 WeakPolarHBondContact CE1-OG 3.34Å; Y216-S232 PolarHBondContact OH-OG 3.17Å; Y216-F233 HydrophobicContact CD1-CB 3.97Å; Y216-F233 AromaticContact CD1-CD2 3.76Å; Y216-F233 HydrophobicContact CD1-CD2 3.76Å; Y216-F233 HydrophobicContact CD1-CG 4.33Å; Y216-F233 HydrophobicContact CE1-CB 4.05Å; Y216-F233 HydrophobicContact CE1-CD2 4.47Å; Y216-F233 HydrophobicContact CG-CD2 4.18Å; Y216-M263 HydrophobicContact CD2-CE 4.2Å; Y216-M263 HydrophobicContact CD2-SD 4.39Å; Y216-M263 HydrophobicContact CE1-CE 4.45Å; Y216-M263 HydrophobicContact CE2-CE 3.93Å; Y216-M263 HydrophobicContact CE2-CG 4.21Å; Y216-M263 HydrophobicContact CE2-SD 3.89Å; Y216-I267 HydrophobicContact CE2-CD1 3.87Å; Y216-I267 HydrophobicContact CE2-CG1 4.5Å; Y216-I267 WeakPolarHBondContact OH-CG1 3.48Å; Y216-I360 HydrophobicContact CD2-CG2 4.13Å; Y216-I360 HydrophobicContact CE2-CG2 4.07Å; Y216-I364 HydrophobicContact CD2-CD1 4.47Å; Y216-I364 HydrophobicContact CD2-CG1 4.01Å; Y216-I364 HydrophobicContact CG-CG1 4.48Å
217	R	97.6	Very high	97.1	Very high	108 Å²	108	55 Å²	55	41%	0.408	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-48.6	173.5	-172.7	-175.7	-61.6	120.3	1.7	112.5	R213 Q214 L219 C220 Q221 P228	R213-R217 PolarHBondContact O-N 3.41Å; R213-R217 VanDerWaalsContact O-N 3.07Å; Q214-R217 WeakPolarHBondContact O-CB 3.46Å; Q214-R217 PolarHBondContact O-N 3.48Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-L219 PolarHBondContact O-N 3.01Å; R217-C220 PolarHBondContact O-N 2.68Å; R217-Q221 WeakPolarHBondContact O-CB 3.12Å; R217-Q221 PolarHBondContact O-N 2.85Å; R217-P228 VanDerWaalsContact CA-CG 3.47Å; R217-P228 HydrophobicContact CB-CG 3.91Å; R217-P228 HydrophobicContact CG-CG 4.16Å
218	E	98.4	Very high	96.9	Very high	68 Å²	68	51.9 Å²	51.9	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-59.6	-43.4	178.9	-73.1	165.6	-177.4	0	0	111.9	Q214 H215 Q221 Q222	Q214-E218 WeakPolarHBondContact CG-OE1 3.35Å; Q214-E218 PolarHBondContact NE2-OE1 3.43Å; Q214-E218 WeakPolarHBondContact O-CG 3.17Å; Q214-E218 PolarHBondContact O-N 3.31Å; H215-E218 IonicContact ND1-OE2 3.66Å; H215-E218 PolarHBondContact ND1-OE2 3.45Å; H215-E218 PolarHBondContact O-N 3.42Å; E218-Q221 PolarHBondContact O-N 2.96Å; E218-Q222 WeakPolarHBondContact O-CB 3.18Å; E218-Q222 WeakPolarHBondContact O-CG 3.14Å; E218-Q222 PolarHBondContact O-N 2.85Å
219	L	98.5	Very high	96.6	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.105	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-44.5	179.6	-73.6	172	0	0	0	112.4	H215 Y216 R217 Q221 R223 I360 K363 I364	H215-L219 WeakPolarHBondContact O-CB 3.5Å; H215-L219 VanDerWaalsContact O-CG 3.25Å; H215-L219 WeakPolarHBondContact O-CG 3.25Å; H215-L219 PolarHBondContact O-N 3.39Å; Y216-L219 PolarHBondContact O-N 2.85Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-L219 PolarHBondContact O-N 3.01Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 3.23Å; L219-R223 VanDerWaalsContact O-CB 3.27Å; L219-R223 WeakPolarHBondContact O-CB 3.38Å; L219-R223 WeakPolarHBondContact O-CG 3.23Å; L219-R223 PolarHBondContact O-N 3.36Å; L219-I360 HydrophobicContact CB-CG1 4.27Å; L219-I360 HydrophobicContact CB-CG2 4.04Å; L219-K363 HydrophobicContact CD1-CB 4.02Å; L219-K363 HydrophobicContact CD1-CG 3.83Å; L219-K363 HydrophobicContact CD2-CG 4.45Å; L219-I364 HydrophobicContact CD1-CD1 3.76Å; L219-I364 HydrophobicContact CD1-CG1 3.86Å
220	C	97.7	Very high	96.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-46.2	174.2	-73.8	0	0	0	0	111.4	Y216 R217 E224 G225 I226 P228	Y216-C220 WeakPolarHBondContact CE2-SG 3.41Å; Y216-C220 PolarHBondContact O-N 3.21Å; R217-C220 PolarHBondContact O-N 2.68Å; C220-E224 CarbonylContact O-C 2.92Å; C220-E224 WeakPolarHBondContact O-CA 3.49Å; C220-E224 PolarHBondContact O-N 3.37Å; C220-G225 PolarHBondContact O-N 2.8Å; C220-G225 VanDerWaalsContact O-N 3.1Å; C220-I226 CarbonylContact C-O 3.36Å; C220-I226 HydrophobicContact CB-CG1 4.32Å; C220-I226 WeakPolarHBondContact CB-O 3.4Å; C220-I226 PolarHBondContact O-N 3.32Å; C220-P228 HydrophobicContact CB-CG 4.23Å
221	Q	96.5	Very high	95.7	Very high	86 Å²	86	54.7 Å²	54.7	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-70.1	-41.9	-177.1	-174.1	58.7	72.4	0	0	112.7	R217 E218 L219 G225 I226	R217-Q221 WeakPolarHBondContact O-CB 3.12Å; R217-Q221 PolarHBondContact O-N 2.85Å; E218-Q221 PolarHBondContact O-N 2.96Å; L219-Q221 VanDerWaalsContact C-N 3.34Å; L219-Q221 PolarHBondContact O-N 3.23Å; Q221-G225 VanDerWaalsContact O-CA 3.23Å; Q221-G225 WeakPolarHBondContact O-CA 3.27Å; Q221-G225 PolarHBondContact O-N 3.39Å; Q221-G225 VanDerWaalsContact O-N 3.16Å; Q221-I226 WeakPolarHBondContact CA-O 3.19Å; Q221-I226 PolarHBondContact N-O 3.45Å; Q221-I226 VanDerWaalsContact N-O 3.17Å
222	Q	96.6	Very high	95.5	Very high	150 Å²	150	49.6 Å²	49.6	70%	0.701	24%	0.235	S	C	*	.	H	α-helix	trans	-76.5	-36.2	-176.9	-70.8	171.7	6.8	0	0	112.7	E218	E218-Q222 WeakPolarHBondContact O-CB 3.18Å; E218-Q222 WeakPolarHBondContact O-CG 3.14Å; E218-Q222 PolarHBondContact O-N 2.85Å
223	R	96.1	Very high	95.4	Very high	101 Å²	101	50 Å²	50	38%	0.381	24%	0.236	S	C	.	.	H	α-helix	trans	-91.8	-41.4	-175.7	-62.6	-168.6	-179	-163.2	-0.7	112.9	L219 R302 I360	L219-R223 VanDerWaalsContact O-CB 3.27Å; L219-R223 WeakPolarHBondContact O-CB 3.38Å; L219-R223 WeakPolarHBondContact O-CG 3.23Å; L219-R223 PolarHBondContact O-N 3.36Å; R223-R302 PolarHBondContact O-NH2 2.95Å; R223-I360 HydrophobicContact CB-CD1 4.18Å; R223-I360 HydrophobicContact CB-CG1 4.41Å
224	E	94.8	Very high	95.2	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-9.3	-174.3	-60.6	-54.6	136.1	0	0	113.5	C220 I226 I271 R302 S356 V357 I360	C220-E224 CarbonylContact O-C 2.92Å; C220-E224 WeakPolarHBondContact O-CA 3.49Å; C220-E224 PolarHBondContact O-N 3.37Å; E224-I226 HydrophobicContact CB-CD1 4.32Å; E224-I226 HydrophobicContact CB-CG1 3.94Å; E224-I226 PolarHBondContact O-N 3.12Å; E224-I271 HydrophobicContact CB-CD1 4.38Å; E224-I271 HydrophobicContact CB-CG1 4.48Å; E224-I271 HydrophobicContact CG-CD1 3.86Å; E224-I271 HydrophobicContact CG-CG1 4.48Å; E224-I271 WeakPolarHBondContact OE2-CD1 3.29Å; E224-R302 IonicContact OE1-CZ 3.35Å; E224-R302 VanDerWaalsContact OE1-CZ 3.27Å; E224-R302 IonicContact OE1-NH1 3.06Å; E224-R302 PolarHBondContact OE1-NH1 2.9Å; E224-R302 IonicContact OE1-NH2 2.79Å; E224-R302 PolarHBondContact OE1-NH2 3.5Å; E224-R302 IonicContact OE2-CZ 3.73Å; E224-R302 VanDerWaalsContact OE2-CZ 3.28Å; E224-R302 IonicContact OE2-NH1 3.97Å; E224-R302 PolarHBondContact OE2-NH1 2.76Å; E224-R302 IonicContact OE2-NH2 2.73Å; E224-R302 PolarHBondContact OE2-NH2 3.21Å; E224-S356 WeakPolarHBondContact OE1-CB 3.33Å; E224-S356 PolarHBondContact OE1-OG 3.41Å; E224-V357 HydrophobicContact CG-CG2 4.31Å; E224-I360 HydrophobicContact CG-CD1 3.91Å
225	G	94	Very high	95	Very high	48 Å²	48	45.9 Å²	45.9	50%	0.495	22%	0.218	S	C	.	.	S	Bend	trans	72.4	17.5	-179.9	0	0	0	0	0	113.9	C220 Q221	C220-G225 PolarHBondContact O-N 2.8Å; C220-G225 VanDerWaalsContact O-N 3.1Å; Q221-G225 VanDerWaalsContact O-CA 3.23Å; Q221-G225 WeakPolarHBondContact O-CA 3.27Å; Q221-G225 PolarHBondContact O-N 3.39Å; Q221-G225 VanDerWaalsContact O-N 3.16Å
226	I	93.4	Very high	95	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.067	20%	0.203	C	C	.	.			trans	-118.6	154.4	-178.1	66.6	173.5	0	0	0	111.4	C220 Q221 E224 I267 D270 I271	C220-I226 CarbonylContact C-O 3.36Å; C220-I226 HydrophobicContact CB-CG1 4.32Å; C220-I226 WeakPolarHBondContact CB-O 3.4Å; C220-I226 PolarHBondContact O-N 3.32Å; Q221-I226 WeakPolarHBondContact CA-O 3.19Å; Q221-I226 PolarHBondContact N-O 3.45Å; Q221-I226 VanDerWaalsContact N-O 3.17Å; E224-I226 HydrophobicContact CB-CD1 4.32Å; E224-I226 HydrophobicContact CB-CG1 3.94Å; E224-I226 PolarHBondContact O-N 3.12Å; I226-I267 HydrophobicContact CD1-CG2 4.23Å; I226-D270 HydrophobicContact CD1-CB 3.88Å; I226-I271 HydrophobicContact CD1-CG1 4.28Å
227	E	93.3	Very high	94.9	Very high	105 Å²	105	42.7 Å²	42.7	49%	0.491	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-71.4	151.4	162.3	-72.9	-67.2	154	0	0	109.9
228	P	94.3	Very high	94.9	Very high	26 Å²	26	38.6 Å²	38.6	17%	0.169	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-50.7	135.2	170.2	-30.3	38	0	0	0	112.3	Y216 R217 C220	Y216-P228 HydrophobicContact CD1-CB 3.99Å; Y216-P228 HydrophobicContact CD1-CG 4.11Å; Y216-P228 HydrophobicContact CE1-CB 3.57Å; Y216-P228 HydrophobicContact CE1-CG 4.15Å; R217-P228 VanDerWaalsContact CA-CG 3.47Å; R217-P228 HydrophobicContact CB-CG 3.91Å; R217-P228 HydrophobicContact CG-CG 4.16Å; C220-P228 HydrophobicContact CB-CG 4.23Å
229	P	92.3	Very high	94.8	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.058	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-55.3	143.8	170.4	-19.9	28.7	0	0	0	110.4	E231 S232 E266 I267 D270	P229-E231 PolarHBondContact O-N 3.26Å; P229-S232 WeakPolarHBondContact O-CB 3.4Å; P229-S232 PolarHBondContact O-N 2.94Å; P229-S232 PolarHBondContact O-OG 3.2Å; P229-E266 HydrophobicContact CB-CB 4.17Å; P229-E266 HydrophobicContact CG-CB 4.18Å; P229-E266 VanDerWaalsContact CG-O 3.29Å; P229-E266 WeakPolarHBondContact CG-O 3.47Å; P229-I267 HydrophobicContact CG-CG1 4.34Å; P229-D270 HydrophobicContact CG-CB 4.44Å
230	R	87.3	Confident	94.8	Very high	92 Å²	92	34.7 Å²	34.7	35%	0.347	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	131	-170.3	-170.3	-168.1	172.9	171.7	-2.2	110.2	T67 S232 R235	T67-R230 PolarHBondContact O-NH1 2.68Å; R230-S232 PolarHBondContact O-N 3.28Å; R230-R235 PolarHBondContact O-NH2 3.17Å
231	E	89.4	Confident	94.8	Very high	24 Å²	24	37.9 Å²	37.9	11%	0.112	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	1.4	-176.5	-54.7	-59.4	131.9	0	0	115.6	P229 F233 N234 R235 G486 L489	P229-E231 PolarHBondContact O-N 3.26Å; E231-F233 PolarHBondContact O-N 3.44Å; E231-N234 WeakPolarHBondContact O-CB 3.45Å; E231-N234 PolarHBondContact O-N 2.92Å; E231-N234 PolarHBondContact OE2-ND2 3.1Å; E231-R235 PolarHBondContact O-N 2.84Å; E231-G486 PolarHBondContact OE1-N 3.29Å; E231-G486 VanDerWaalsContact OE2-CA 3.28Å; E231-G486 WeakPolarHBondContact OE2-CA 3.23Å; E231-G486 PolarHBondContact OE2-N 3.44Å; E231-L489 HydrophobicContact CB-CD2 4.3Å
232	S	93.8	Very high	94.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-34	-176.7	65.6	0	0	0	0	112.9	Y216 P229 R230 N234 W236 E266	Y216-S232 VanDerWaalsContact CE1-OG 3.26Å; Y216-S232 WeakPolarHBondContact CE1-OG 3.34Å; Y216-S232 PolarHBondContact OH-OG 3.17Å; P229-S232 WeakPolarHBondContact O-CB 3.4Å; P229-S232 PolarHBondContact O-N 2.94Å; P229-S232 PolarHBondContact O-OG 3.2Å; R230-S232 PolarHBondContact O-N 3.28Å; S232-N234 VanDerWaalsContact C-N 3.33Å; S232-N234 PolarHBondContact O-N 3.16Å; S232-W236 WeakPolarHBondContact O-CB 3.33Å; S232-W236 PolarHBondContact O-N 2.62Å; S232-E266 VanDerWaalsContact CA-OE2 3.26Å; S232-E266 WeakPolarHBondContact CA-OE2 3.22Å; S232-E266 WeakPolarHBondContact CB-OE2 3.27Å
233	F	96.5	Very high	94.9	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-37.3	174.7	-172.2	-88.6	0	0	0	112.1	L212 R213 Y216 E231 W236 M237	L212-F233 HydrophobicContact CB-CZ 4.27Å; L212-F233 HydrophobicContact CD2-CE2 4.17Å; L212-F233 HydrophobicContact CD2-CZ 3.87Å; L212-F233 HydrophobicContact CG-CE2 3.91Å; L212-F233 HydrophobicContact CG-CZ 3.93Å; R213-F233 HydrophobicContact CG-CD1 3.74Å; R213-F233 HydrophobicContact CG-CD2 4.33Å; R213-F233 HydrophobicContact CG-CE1 3.6Å; R213-F233 HydrophobicContact CG-CE2 4.22Å; R213-F233 HydrophobicContact CG-CG 4.1Å; R213-F233 HydrophobicContact CG-CZ 3.85Å; R213-F233 VanDerWaalsContact CZ-CD1 3.45Å; Y216-F233 HydrophobicContact CD1-CB 3.97Å; Y216-F233 AromaticContact CD1-CD2 3.76Å; Y216-F233 HydrophobicContact CD1-CD2 3.76Å; Y216-F233 HydrophobicContact CD1-CG 4.33Å; Y216-F233 HydrophobicContact CE1-CB 4.05Å; Y216-F233 HydrophobicContact CE1-CD2 4.47Å; Y216-F233 HydrophobicContact CG-CD2 4.18Å; E231-F233 PolarHBondContact O-N 3.44Å; F233-W236 HydrophobicContact CD2-CE3 4.22Å; F233-W236 HydrophobicContact CE2-CE3 4.01Å; F233-W236 AromaticContact CE2-CZ3 3.88Å; F233-W236 HydrophobicContact CE2-CZ3 3.88Å; F233-W236 HydrophobicContact CZ-CE3 4.21Å; F233-W236 AromaticContact CZ-CZ3 3.88Å; F233-W236 HydrophobicContact CZ-CZ3 3.88Å; F233-W236 WeakPolarHBondContact O-CB 3.47Å; F233-M237 HydrophobicContact CD1-CE 3.93Å; F233-M237 HydrophobicContact CD1-CG 4.42Å; F233-M237 HydrophobicContact CD1-SD 4.28Å; F233-M237 HydrophobicContact CE1-CE 3.86Å; F233-M237 HydrophobicContact CE1-CG 4.1Å; F233-M237 HydrophobicContact CE1-SD 3.68Å; F233-M237 HydrophobicContact CZ-SD 4.48Å; F233-M237 WeakPolarHBondContact O-CG 3.35Å; F233-M237 PolarHBondContact O-N 2.91Å; F233-M237 VanDerWaalsContact O-N 3.09Å
234	N	93.9	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-72.2	-43.6	179.5	-65.9	-16.2	0	0	0	110.9	R213 E231 S232 W236 M237 L238 M478 F479 L489	R213-N234 VanDerWaalsContact CZ-OD1 3.22Å; R213-N234 PolarHBondContact NH1-OD1 3.14Å; R213-N234 PolarHBondContact NH2-OD1 2.91Å; E231-N234 WeakPolarHBondContact O-CB 3.45Å; E231-N234 PolarHBondContact O-N 2.92Å; E231-N234 PolarHBondContact OE2-ND2 3.1Å; S232-N234 VanDerWaalsContact C-N 3.33Å; S232-N234 PolarHBondContact O-N 3.16Å; N234-W236 VanDerWaalsContact C-N 3.32Å; N234-W236 PolarHBondContact O-N 2.71Å; N234-M237 PolarHBondContact O-N 2.88Å; N234-L238 PolarHBondContact O-N 3.31Å; N234-L238 VanDerWaalsContact O-N 3.16Å; N234-M478 PolarHBondContact OD1-O 2.58Å; N234-F479 PolarHBondContact ND2-O 3.15Å; N234-L489 HydrophobicContact CB-CD1 3.64Å; N234-L489 HydrophobicContact CB-CD2 4.29Å
235	R	94.5	Very high	95.1	Very high	13 Å²	13	32.9 Å²	32.9	5%	0.049	17%	0.168	C	C	.	.	H	α-helix	trans	-63.7	-37.4	172.9	-78.7	-172.2	-69.3	-87.9	-5	112.4	P86 R230 E231 M237 L238 E239 E266 L489 F556	P86-R235 PolarHBondContact O-NH2 3.29Å; P86-R235 VanDerWaalsContact O-NH2 3.15Å; R230-R235 PolarHBondContact O-NH2 3.17Å; E231-R235 PolarHBondContact O-N 2.84Å; R235-M237 PolarHBondContact O-N 3.23Å; R235-L238 WeakPolarHBondContact O-CB 3.43Å; R235-L238 PolarHBondContact O-N 3.05Å; R235-E239 WeakPolarHBondContact O-CB 3.08Å; R235-E239 PolarHBondContact O-N 2.9Å; R235-E266 IonicContact CZ-OE1 3.39Å; R235-E266 IonicContact CZ-OE2 3.94Å; R235-E266 VanDerWaalsContact NE-CD 3.35Å; R235-E266 IonicContact NE-OE1 3.87Å; R235-E266 PolarHBondContact NE-OE1 2.79Å; R235-E266 IonicContact NE-OE2 3.85Å; R235-E266 PolarHBondContact NE-OE2 3.2Å; R235-E266 IonicContact NH2-OE1 3.17Å; R235-E266 IonicContact NH2-OE2 2.69Å; R235-E266 PolarHBondContact NH2-OE2 2.74Å; R235-L489 HydrophobicContact CG-CD2 4.18Å; R235-F556 WeakPolarHBondContact CD-O 3.21Å
236	W	97.5	Very high	95.2	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-57.8	-46	171.3	170.7	79.3	0	0	0	112	L212 S232 F233 N234 L238 E239 R240 P252 S260 M263 I364	L212-W236 HydrophobicContact CD2-CH2 4.14Å; L212-W236 HydrophobicContact CD2-CZ3 4.17Å; S232-W236 WeakPolarHBondContact O-CB 3.33Å; S232-W236 PolarHBondContact O-N 2.62Å; F233-W236 HydrophobicContact CD2-CE3 4.22Å; F233-W236 HydrophobicContact CE2-CE3 4.01Å; F233-W236 AromaticContact CE2-CZ3 3.88Å; F233-W236 HydrophobicContact CE2-CZ3 3.88Å; F233-W236 HydrophobicContact CZ-CE3 4.21Å; F233-W236 AromaticContact CZ-CZ3 3.88Å; F233-W236 HydrophobicContact CZ-CZ3 3.88Å; F233-W236 WeakPolarHBondContact O-CB 3.47Å; N234-W236 VanDerWaalsContact C-N 3.32Å; N234-W236 PolarHBondContact O-N 2.71Å; W236-L238 VanDerWaalsContact C-N 3.33Å; W236-L238 PolarHBondContact O-N 3.21Å; W236-E239 PolarHBondContact O-N 3.42Å; W236-R240 HydrophobicContact CD2-CG 4.06Å; W236-R240 HydrophobicContact CG-CG 4.1Å; W236-R240 HydrophobicContact CZ2-CG 4.12Å; W236-R240 VanDerWaalsContact O-CB 3.31Å; W236-R240 WeakPolarHBondContact O-CB 3.44Å; W236-R240 WeakPolarHBondContact O-CG 3.33Å; W236-R240 PolarHBondContact O-N 3.2Å; W236-P252 HydrophobicContact CH2-CG 3.37Å; W236-P252 HydrophobicContact CZ2-CG 3.51Å; W236-P252 HydrophobicContact CZ3-CG 4.14Å; W236-S260 VanDerWaalsContact CD1-CB 3.43Å; W236-M263 HydrophobicContact CB-CB 4.33Å; W236-M263 HydrophobicContact CB-CE 3.72Å; W236-M263 VanDerWaalsContact CD1-CE 3.49Å; W236-M263 HydrophobicContact CD2-CE 3.65Å; W236-M263 HydrophobicContact CE3-CE 4.33Å; W236-M263 HydrophobicContact CG-CB 4.35Å; W236-M263 HydrophobicContact CG-CE 3.32Å; W236-M263 HydrophobicContact CG-SD 4.47Å; W236-I364 HydrophobicContact CH2-CG2 3.9Å; W236-I364 HydrophobicContact CZ2-CG2 3.82Å; W236-I364 HydrophobicContact CZ3-CG2 4.33Å
237	M	97.3	Very high	95.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.6	-70.1	-170.9	-65.3	0	0	112.2	F233 N234 R235 K241 L250 M478	F233-M237 HydrophobicContact CD1-CE 3.93Å; F233-M237 HydrophobicContact CD1-CG 4.42Å; F233-M237 HydrophobicContact CD1-SD 4.28Å; F233-M237 HydrophobicContact CE1-CE 3.86Å; F233-M237 HydrophobicContact CE1-CG 4.1Å; F233-M237 HydrophobicContact CE1-SD 3.68Å; F233-M237 HydrophobicContact CZ-SD 4.48Å; F233-M237 WeakPolarHBondContact O-CG 3.35Å; F233-M237 PolarHBondContact O-N 2.91Å; F233-M237 VanDerWaalsContact O-N 3.09Å; N234-M237 PolarHBondContact O-N 2.88Å; R235-M237 PolarHBondContact O-N 3.23Å; M237-K241 WeakPolarHBondContact O-CB 3.21Å; M237-K241 VanDerWaalsContact O-CG 3.31Å; M237-K241 WeakPolarHBondContact O-CG 3.19Å; M237-K241 PolarHBondContact O-N 2.91Å; M237-K241 VanDerWaalsContact O-N 3.14Å; M237-L250 HydrophobicContact SD-CD1 3.9Å; M237-M478 WeakPolarHBondContact CE-O 3.5Å; M237-M478 HydrophobicContact CE-SD 3.79Å; M237-M478 HydrophobicContact SD-SD 4.47Å
238	L	96.1	Very high	95.4	Very high	22 Å²	22	29.7 Å²	29.7	12%	0.115	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-51.3	176.3	-68.1	172.6	0	0	0	111.7	N234 R235 W236 K241 V242 M478 P555 C557	N234-L238 PolarHBondContact O-N 3.31Å; N234-L238 VanDerWaalsContact O-N 3.16Å; R235-L238 WeakPolarHBondContact O-CB 3.43Å; R235-L238 PolarHBondContact O-N 3.05Å; W236-L238 VanDerWaalsContact C-N 3.33Å; W236-L238 PolarHBondContact O-N 3.21Å; L238-K241 PolarHBondContact O-N 3.4Å; L238-V242 PolarHBondContact O-N 3.24Å; L238-M478 HydrophobicContact CD2-CE 3.38Å; L238-M478 HydrophobicContact CG-CE 3.72Å; L238-P555 HydrophobicContact CD1-CB 3.83Å; L238-C557 HydrophobicContact CB-CB 4.05Å; L238-C557 HydrophobicContact CD1-CB 4.2Å
239	E	97.6	Very high	95.6	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-46.4	-178.1	-177.5	-84.3	140.8	0	0	111.1	R235 W236 K241 V242 S260 E559	R235-E239 WeakPolarHBondContact O-CB 3.08Å; R235-E239 PolarHBondContact O-N 2.9Å; W236-E239 PolarHBondContact O-N 3.42Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 2.92Å; E239-V242 WeakPolarHBondContact O-CB 3.41Å; E239-V242 PolarHBondContact O-N 2.69Å; E239-V242 VanDerWaalsContact O-N 3.11Å; E239-S260 WeakPolarHBondContact OE2-CB 3.09Å; E239-S260 PolarHBondContact OE2-OG 2.87Å; E239-E559 HydrophobicContact CG-CB 3.75Å; E239-E559 HydrophobicContact CG-CG 3.58Å
240	R	98.2	Very high	95.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-38.7	177.4	-66.3	-69.8	86.2	175	-10.3	111.8	W236 V242 V243 D244 P252 P257 V258 V259 P261	W236-R240 HydrophobicContact CD2-CG 4.06Å; W236-R240 HydrophobicContact CG-CG 4.1Å; W236-R240 HydrophobicContact CZ2-CG 4.12Å; W236-R240 VanDerWaalsContact O-CB 3.31Å; W236-R240 WeakPolarHBondContact O-CB 3.44Å; W236-R240 WeakPolarHBondContact O-CG 3.33Å; W236-R240 PolarHBondContact O-N 3.2Å; R240-V242 PolarHBondContact O-N 2.69Å; R240-V243 WeakPolarHBondContact O-CG2 3.27Å; R240-V243 PolarHBondContact O-N 3.17Å; R240-V243 VanDerWaalsContact O-N 3.14Å; R240-D244 VanDerWaalsContact O-CB 3.24Å; R240-D244 WeakPolarHBondContact O-CB 3.26Å; R240-D244 PolarHBondContact O-N 2.89Å; R240-P252 HydrophobicContact CB-CB 3.66Å; R240-P252 HydrophobicContact CB-CG 3.93Å; R240-P252 HydrophobicContact CG-CB 4.2Å; R240-P252 HydrophobicContact CG-CG 4.07Å; R240-P257 PolarHBondContact NH1-O 3.1Å; R240-V258 PolarHBondContact NH1-O 3.28Å; R240-V258 VanDerWaalsContact NH1-O 3.07Å; R240-V259 PolarHBondContact NH1-O 3.1Å; R240-P261 VanDerWaalsContact NH2-CD 3.35Å
241	K	97.8	Very high	96.4	Very high	66 Å²	66	24.5 Å²	24.5	29%	0.287	13%	0.133	S	C	.	.	H	α-helix	trans	-67.6	-15.7	179	-76.1	-69.9	170.5	-157.5	0	114.6	M237 L238 E239 V243 D244 D248 L250 L251	M237-K241 WeakPolarHBondContact O-CB 3.21Å; M237-K241 VanDerWaalsContact O-CG 3.31Å; M237-K241 WeakPolarHBondContact O-CG 3.19Å; M237-K241 PolarHBondContact O-N 2.91Å; M237-K241 VanDerWaalsContact O-N 3.14Å; L238-K241 PolarHBondContact O-N 3.4Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 2.92Å; K241-V243 VanDerWaalsContact C-N 3.34Å; K241-D244 HydrophobicContact CD-CB 4.44Å; K241-D244 IonicContact NZ-OD2 3.87Å; K241-D244 PolarHBondContact NZ-OD2 3.23Å; K241-D248 PolarHBondContact NZ-O 3.45Å; K241-L250 WeakPolarHBondContact CE-O 3.2Å; K241-L251 PolarHBondContact NZ-O 3.47Å
242	V	97.9	Very high	96.8	Very high	32 Å²	32	23.4 Å²	23.4	19%	0.194	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-38.6	170.9	-179.3	0	0	0	0	111	L238 E239 R240 L541 L560 A563	L238-V242 PolarHBondContact O-N 3.24Å; E239-V242 WeakPolarHBondContact O-CB 3.41Å; E239-V242 PolarHBondContact O-N 2.69Å; E239-V242 VanDerWaalsContact O-N 3.11Å; R240-V242 PolarHBondContact O-N 2.69Å; V242-L541 HydrophobicContact CG1-CD1 4.2Å; V242-L560 HydrophobicContact CG2-CB 3.89Å; V242-L560 HydrophobicContact CG2-CD1 3.97Å; V242-A563 HydrophobicContact CG1-CB 3.64Å
243	V	97.6	Very high	97	Very high	46 Å²	46	24.2 Å²	24.2	28%	0.279	13%	0.133	S	C	.	.	H	α-helix	trans	-106.4	-17.9	-173.6	-61.3	0	0	0	0	114	R240 K241 K245 C255	R240-V243 WeakPolarHBondContact O-CG2 3.27Å; R240-V243 PolarHBondContact O-N 3.17Å; R240-V243 VanDerWaalsContact O-N 3.14Å; K241-V243 VanDerWaalsContact C-N 3.34Å; V243-K245 PolarHBondContact O-N 2.79Å; V243-C255 HydrophobicContact CG2-CB 4.03Å
244	D	98.2	Very high	97	Very high	18 Å²	18	28.2 Å²	28.2	10%	0.096	16%	0.155	C	C	.	.			trans	-59.3	125.3	-177.8	-171.4	38.4	0	0	0	111.5	R240 K241 G246 S253 N254	R240-D244 VanDerWaalsContact O-CB 3.24Å; R240-D244 WeakPolarHBondContact O-CB 3.26Å; R240-D244 PolarHBondContact O-N 2.89Å; K241-D244 HydrophobicContact CD-CB 4.44Å; K241-D244 IonicContact NZ-OD2 3.87Å; K241-D244 PolarHBondContact NZ-OD2 3.23Å; D244-G246 PolarHBondContact OD1-N 3.38Å; D244-G246 VanDerWaalsContact OD1-N 3.09Å; D244-S253 PolarHBondContact OD1-N 2.87Å; D244-N254 WeakPolarHBondContact CA-O 3.16Å; D244-N254 PolarHBondContact OD1-N 3.26Å
245	K	97.4	Very high	97.2	Very high	158 Å²	158	28.5 Å²	28.5	69%	0.687	16%	0.157	S	C	*	.			trans	-103.9	15.6	169.4	-54	-55.5	175.2	-163.9	0	111.7	V243 N254	V243-K245 PolarHBondContact O-N 2.79Å; K245-N254 HydrophobicContact CB-CB 4.44Å; K245-N254 PolarHBondContact N-O 3.06Å
246	G	95.6	Very high	97.3	Very high	29 Å²	29	36.1 Å²	36.1	30%	0.299	19%	0.194	S	C	.	.			trans	-74	174.1	175.6	0	0	0	0	0	113.2	D244 S253	D244-G246 PolarHBondContact OD1-N 3.38Å; D244-G246 VanDerWaalsContact OD1-N 3.09Å; G246-S253 VanDerWaalsContact CA-OG 3.26Å; G246-S253 WeakPolarHBondContact CA-OG 3.46Å
247	S	93.1	Very high	97.3	Very high	60 Å²	60	39.5 Å²	39.5	42%	0.42	22%	0.216	S	C	.	.	S	Bend	trans	-109.5	-13.1	-175.3	62.1	0	0	0	0	115.1
248	D	98.3	Very high	97.4	Very high	10 Å²	10	42 Å²	42	5%	0.053	23%	0.231	C	C	.	.			trans	-72.6	135.3	173.6	-171.2	-88	0	0	0	109.5	R205 K241 L250 L251 V372	R205-D248 IonicContact CZ-OD2 2.85Å; R205-D248 IonicContact NE-OD1 3.21Å; R205-D248 PolarHBondContact NE-OD1 3.44Å; R205-D248 IonicContact NE-OD2 3.28Å; R205-D248 PolarHBondContact NE-OD2 3.19Å; R205-D248 IonicContact NH2-OD2 2.89Å; R205-D248 PolarHBondContact NH2-OD2 3.32Å; K241-D248 PolarHBondContact NZ-O 3.45Å; D248-L250 VanDerWaalsContact C-N 3.27Å; D248-L250 PolarHBondContact O-N 2.93Å; D248-L250 PolarHBondContact OD1-N 3.41Å; D248-L251 PolarHBondContact OD1-N 2.89Å; D248-V372 HydrophobicContact CB-CB 4.35Å; D248-V372 HydrophobicContact CB-CG1 3.83Å; D248-V372 HydrophobicContact CB-CG2 3.7Å
249	P	97.6	Very high	97.5	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.104	24%	0.236	C	C	.	.	S	Bend	trans	-69.9	-19.7	-177.3	26.8	-36.3	0	0	0	113.9	V194 F527 D529	V194-P249 HydrophobicContact CG1-CB 4.31Å; V194-P249 HydrophobicContact CG1-CG 4.4Å; P249-F527 HydrophobicContact CB-CD1 4.4Å; P249-F527 WeakPolarHBondContact O-CD1 3.33Å; P249-D529 VanDerWaalsContact CB-OD1 3.29Å; P249-D529 WeakPolarHBondContact CB-OD1 3.41Å; P249-D529 WeakPolarHBondContact CG-OD2 3.44Å
250	L	98	Very high	97.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	24%	0.235	C	C	.	.	S	Bend	trans	-118.2	-51.3	-173.6	178.1	50.1	0	0	0	112.8	I209 M237 K241 D248 M477 M478 F527	I209-L250 HydrophobicContact CD1-CD2 3.21Å; I209-L250 HydrophobicContact CD1-CG 3.84Å; M237-L250 HydrophobicContact SD-CD1 3.9Å; K241-L250 WeakPolarHBondContact CE-O 3.2Å; D248-L250 VanDerWaalsContact C-N 3.27Å; D248-L250 PolarHBondContact O-N 2.93Å; D248-L250 PolarHBondContact OD1-N 3.41Å; L250-M477 HydrophobicContact CD2-CB 4.34Å; L250-M478 HydrophobicContact CD1-CB 4.47Å; L250-M478 HydrophobicContact CD1-SD 3.63Å; L250-F527 HydrophobicContact CB-CE1 4.1Å; L250-F527 HydrophobicContact CD1-CE1 3.74Å; L250-F527 HydrophobicContact CD1-CZ 3.85Å; L250-F527 HydrophobicContact CG-CE1 4.41Å
251	L	98.4	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-86	140.7	-176.9	-75.3	178.7	0	0	0	111.8	I209 L212 K241 D248 V372 I375	I209-L251 HydrophobicContact CG1-CD1 4.22Å; I209-L251 HydrophobicContact CG1-CD2 4.07Å; I209-L251 HydrophobicContact CG1-CG 4.2Å; L212-L251 HydrophobicContact CD2-CD2 3.67Å; K241-L251 PolarHBondContact NZ-O 3.47Å; D248-L251 PolarHBondContact OD1-N 2.89Å; L251-V372 HydrophobicContact CB-CG2 3.49Å; L251-V372 VanDerWaalsContact CB-CG2 3.49Å; L251-V372 HydrophobicContact CD1-CG2 4.41Å; L251-I375 HydrophobicContact CD1-CD1 4.08Å
252	P	97.8	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.			trans	-75.3	147.4	174.3	30.9	-35.5	0	0	0	111.9	W236 R240 S368	W236-P252 HydrophobicContact CH2-CG 3.37Å; W236-P252 HydrophobicContact CZ2-CG 3.51Å; W236-P252 HydrophobicContact CZ3-CG 4.14Å; R240-P252 HydrophobicContact CB-CB 3.66Å; R240-P252 HydrophobicContact CB-CG 3.93Å; R240-P252 HydrophobicContact CG-CB 4.2Å; R240-P252 HydrophobicContact CG-CG 4.07Å; P252-S368 VanDerWaalsContact CD-OG 3.3Å; P252-S368 WeakPolarHBondContact CD-OG 3.29Å; P252-S368 PolarHBondContact O-OG 3.36Å
253	S	97.3	Very high	97.3	Very high	18 Å²	18	40.7 Å²	40.7	13%	0.126	23%	0.23	C	C	.	.			trans	-148.1	-15.3	-179.2	52.1	0	0	0	0	115.9	D244 G246 Y365 L369	D244-S253 PolarHBondContact OD1-N 2.87Å; G246-S253 VanDerWaalsContact CA-OG 3.26Å; G246-S253 WeakPolarHBondContact CA-OG 3.46Å; S253-Y365 PolarHBondContact O-OH 3.16Å; S253-L369 WeakPolarHBondContact O-CD1 3.45Å
254	N	98.1	Very high	97.3	Very high	94 Å²	94	40.9 Å²	40.9	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	-144.3	76.7	176.7	-173.7	18.2	0	0	0	110.1	D244 K245 Y365	D244-N254 WeakPolarHBondContact CA-O 3.16Å; D244-N254 PolarHBondContact OD1-N 3.26Å; K245-N254 HydrophobicContact CB-CB 4.44Å; K245-N254 PolarHBondContact N-O 3.06Å; N254-Y365 WeakPolarHBondContact CA-OH 3.33Å; N254-Y365 PolarHBondContact N-OH 3.41Å
255	C	98	Very high	97.1	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.041	23%	0.233	C	C	.	.			trans	-112.8	139.4	-178.3	-59.7	0	0	0	0	111.5	V243 Y365	V243-C255 HydrophobicContact CG2-CB 4.03Å; C255-Y365 HydrophobicContact CB-CD2 4.4Å; C255-Y365 HydrophobicContact CB-CE2 3.68Å; C255-Y365 PolarHBondContact N-OH 3.3Å
256	E	96.3	Very high	97	Very high	173 Å²	173	35.5 Å²	35.5	81%	0.808	20%	0.202	S	C	*	.	S	Bend	trans	-126.5	126.1	165.9	-170.8	168	-168.3	0	0	109.3
257	P	97.9	Very high	97	Very high	72 Å²	72	34.1 Å²	34.1	47%	0.468	19%	0.188	S	C	.	.	S	Bend	cis	-71.6	157.6	-3.4	31.2	-36	0	0	0	113.2	R240 V259	R240-P257 PolarHBondContact NH1-O 3.1Å; P257-V259 PolarHBondContact O-N 3.49Å
258	V	97.9	Very high	97.1	Very high	53 Å²	53	32.2 Å²	32.2	32%	0.321	17%	0.173	S	C	.	.	S	Bend	trans	-60.8	-44.2	176	166.9	0	0	0	0	112.1	R240 Y365	R240-V258 PolarHBondContact NH1-O 3.28Å; R240-V258 VanDerWaalsContact NH1-O 3.07Å; V258-Y365 HydrophobicContact CB-CD1 4.41Å; V258-Y365 HydrophobicContact CG1-CD1 3.62Å; V258-Y365 HydrophobicContact CG1-CE1 4.15Å; V258-Y365 HydrophobicContact CG1-CG 4.24Å; V258-Y365 HydrophobicContact CG2-CD1 4.37Å; V258-Y365 HydrophobicContact CG2-CE1 4.05Å
259	V	98.4	Very high	96.8	Very high	39 Å²	39	33 Å²	33	24%	0.236	18%	0.177	C	C	.	.	S	Bend	trans	-75.4	128.3	177.6	176.1	0	0	0	0	108.9	R240 P257 P261 F264 E358 C361	R240-V259 PolarHBondContact NH1-O 3.1Å; P257-V259 PolarHBondContact O-N 3.49Å; V259-P261 WeakPolarHBondContact O-CD 3.43Å; V259-F264 HydrophobicContact CG1-CB 4.37Å; V259-F264 HydrophobicContact CG1-CD2 4.48Å; V259-E358 HydrophobicContact CG1-CG 4.26Å; V259-E358 HydrophobicContact CG2-CB 4.2Å; V259-E358 HydrophobicContact CG2-CG 4.49Å; V259-C361 HydrophobicContact CB-CB 4.49Å; V259-C361 HydrophobicContact CG1-CB 3.89Å
260	S	98.2	Very high	96.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.			trans	-80.2	121.9	177.4	169.6	0	0	0	0	111.5	W236 E239 S262 M263 F264	W236-S260 VanDerWaalsContact CD1-CB 3.43Å; E239-S260 WeakPolarHBondContact OE2-CB 3.09Å; E239-S260 PolarHBondContact OE2-OG 2.87Å; S260-S262 VanDerWaalsContact C-N 3.28Å; S260-S262 PolarHBondContact O-N 2.91Å; S260-S262 PolarHBondContact OG-N 3.09Å; S260-M263 PolarHBondContact OG-N 2.98Å; S260-M263 VanDerWaalsContact OG-N 3.15Å; S260-F264 WeakPolarHBondContact O-CB 3.38Å; S260-F264 PolarHBondContact O-N 3.48Å
261	P	96.3	Very high	96.3	Very high	58 Å²	58	33.7 Å²	33.7	38%	0.377	18%	0.18	S	C	.	.	H	α-helix	trans	-60.2	-37.6	173.1	-23.2	34.5	0	0	0	112.6	R240 V259 R265	R240-P261 VanDerWaalsContact NH2-CD 3.35Å; V259-P261 WeakPolarHBondContact O-CD 3.43Å; P261-R265 WeakPolarHBondContact O-CB 3.45Å; P261-R265 PolarHBondContact O-N 3.12Å; P261-R265 PolarHBondContact O-NH1 3.48Å
262	S	95.5	Very high	95.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-56.9	177.1	160.7	0	0	0	0	111.3	S260 F264 R265 E266	S260-S262 VanDerWaalsContact C-N 3.28Å; S260-S262 PolarHBondContact O-N 2.91Å; S260-S262 PolarHBondContact OG-N 3.09Å; S262-F264 VanDerWaalsContact C-N 3.31Å; S262-F264 PolarHBondContact O-N 3.16Å; S262-R265 PolarHBondContact O-N 3.04Å; S262-E266 WeakPolarHBondContact O-CG 3.39Å; S262-E266 PolarHBondContact O-N 3.45Å; S262-E266 VanDerWaalsContact O-N 3.08Å; S262-E266 PolarHBondContact OG-OE1 2.86Å
263	M	97.4	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-40.5	-179.3	-178.1	-180	-80.7	0	0	111.9	Y216 W236 S260 I267 C361 I364	Y216-M263 HydrophobicContact CD2-CE 4.2Å; Y216-M263 HydrophobicContact CD2-SD 4.39Å; Y216-M263 HydrophobicContact CE1-CE 4.45Å; Y216-M263 HydrophobicContact CE2-CE 3.93Å; Y216-M263 HydrophobicContact CE2-CG 4.21Å; Y216-M263 HydrophobicContact CE2-SD 3.89Å; W236-M263 HydrophobicContact CB-CB 4.33Å; W236-M263 HydrophobicContact CB-CE 3.72Å; W236-M263 VanDerWaalsContact CD1-CE 3.49Å; W236-M263 HydrophobicContact CD2-CE 3.65Å; W236-M263 HydrophobicContact CE3-CE 4.33Å; W236-M263 HydrophobicContact CG-CB 4.35Å; W236-M263 HydrophobicContact CG-CE 3.32Å; W236-M263 HydrophobicContact CG-SD 4.47Å; S260-M263 PolarHBondContact OG-N 2.98Å; S260-M263 VanDerWaalsContact OG-N 3.15Å; M263-I267 HydrophobicContact CG-CD1 3.66Å; M263-I267 HydrophobicContact CG-CG1 4.39Å; M263-I267 WeakPolarHBondContact O-CD1 3.44Å; M263-I267 VanDerWaalsContact O-CG1 3.23Å; M263-I267 WeakPolarHBondContact O-CG1 3.25Å; M263-I267 PolarHBondContact O-N 3.35Å; M263-I267 HydrophobicContact SD-CD1 4.43Å; M263-C361 HydrophobicContact SD-CB 4.28Å; M263-I364 HydrophobicContact CE-CG2 4.09Å
264	F	97.9	Very high	95.1	Very high	51 Å²	51	41.2 Å²	41.2	22%	0.224	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-49.5	178	178.3	-88.6	0	0	0	111.6	V259 S260 S262 E266 I267 M268 K354 V357 E358	V259-F264 HydrophobicContact CG1-CB 4.37Å; V259-F264 HydrophobicContact CG1-CD2 4.48Å; S260-F264 WeakPolarHBondContact O-CB 3.38Å; S260-F264 PolarHBondContact O-N 3.48Å; S262-F264 VanDerWaalsContact C-N 3.31Å; S262-F264 PolarHBondContact O-N 3.16Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-E266 PolarHBondContact O-N 3.26Å; F264-I267 PolarHBondContact O-N 3.37Å; F264-M268 HydrophobicContact CD1-CG 4.16Å; F264-M268 HydrophobicContact CE1-CE 4.3Å; F264-M268 HydrophobicContact CE1-CG 3.75Å; F264-M268 HydrophobicContact CE2-CE 3.65Å; F264-M268 HydrophobicContact CE2-CG 4.27Å; F264-M268 HydrophobicContact CZ-CE 3.43Å; F264-M268 VanDerWaalsContact CZ-CE 3.43Å; F264-M268 HydrophobicContact CZ-CG 3.81Å; F264-M268 HydrophobicContact CZ-SD 4.47Å; F264-M268 WeakPolarHBondContact O-CB 3.45Å; F264-M268 WeakPolarHBondContact O-CG 2.97Å; F264-M268 PolarHBondContact O-N 3.38Å; F264-K354 HydrophobicContact CE2-CG 4.25Å; F264-K354 HydrophobicContact CZ-CG 4.15Å; F264-V357 HydrophobicContact CD2-CB 4.12Å; F264-V357 HydrophobicContact CD2-CG1 3.57Å; F264-V357 HydrophobicContact CE2-CB 4.05Å; F264-V357 HydrophobicContact CE2-CG1 3.96Å; F264-V357 HydrophobicContact CG-CG1 4.26Å; F264-E358 HydrophobicContact CD2-CG 3.91Å; F264-E358 HydrophobicContact CE2-CG 3.67Å
265	R	94.9	Very high	94.3	Very high	53 Å²	53	38.1 Å²	38.1	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-47.1	179.7	179.7	167	73.5	-107.8	14.5	111.4	L89 P261 S262 M268 N269 E558 E559	L89-R265 HydrophobicContact CD2-CG 4.34Å; P261-R265 WeakPolarHBondContact O-CB 3.45Å; P261-R265 PolarHBondContact O-N 3.12Å; P261-R265 PolarHBondContact O-NH1 3.48Å; S262-R265 PolarHBondContact O-N 3.04Å; R265-M268 PolarHBondContact O-N 3.42Å; R265-N269 PolarHBondContact O-N 3.39Å; R265-N269 PolarHBondContact O-ND2 2.92Å; R265-E558 IonicContact CZ-OE1 2.74Å; R265-E558 IonicContact NE-OE1 3.15Å; R265-E558 IonicContact NH2-OE1 3.23Å; R265-E558 PolarHBondContact NH2-OE1 3.11Å; R265-E558 IonicContact NH2-OE2 3.46Å; R265-E559 IonicContact CZ-OE1 3.42Å; R265-E559 IonicContact NH1-OE1 2.72Å; R265-E559 PolarHBondContact NH1-OE1 3.16Å; R265-E559 IonicContact NH2-OE1 2.71Å; R265-E559 PolarHBondContact NH2-OE1 2.78Å; R265-E559 IonicContact NH2-OE2 3.02Å
266	E	94.1	Very high	93.3	Very high	9 Å²	9	41 Å²	41	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-41.2	-178	-68	-170.7	-127.5	0	0	113.3	P229 S232 R235 S262 F264 M268 N269	P229-E266 HydrophobicContact CB-CB 4.17Å; P229-E266 HydrophobicContact CG-CB 4.18Å; P229-E266 VanDerWaalsContact CG-O 3.29Å; P229-E266 WeakPolarHBondContact CG-O 3.47Å; S232-E266 VanDerWaalsContact CA-OE2 3.26Å; S232-E266 WeakPolarHBondContact CA-OE2 3.22Å; S232-E266 WeakPolarHBondContact CB-OE2 3.27Å; R235-E266 IonicContact CZ-OE1 3.39Å; R235-E266 IonicContact CZ-OE2 3.94Å; R235-E266 VanDerWaalsContact NE-CD 3.35Å; R235-E266 IonicContact NE-OE1 3.87Å; R235-E266 PolarHBondContact NE-OE1 2.79Å; R235-E266 IonicContact NE-OE2 3.85Å; R235-E266 PolarHBondContact NE-OE2 3.2Å; R235-E266 IonicContact NH2-OE1 3.17Å; R235-E266 IonicContact NH2-OE2 2.69Å; R235-E266 PolarHBondContact NH2-OE2 2.74Å; S262-E266 WeakPolarHBondContact O-CG 3.39Å; S262-E266 PolarHBondContact O-N 3.45Å; S262-E266 VanDerWaalsContact O-N 3.08Å; S262-E266 PolarHBondContact OG-OE1 2.86Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-E266 PolarHBondContact O-N 3.26Å; E266-M268 VanDerWaalsContact C-N 3.34Å; E266-N269 PolarHBondContact O-N 2.85Å
267	I	95.9	Very high	92.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-43.4	175.4	-66.7	167.8	0	0	0	110	Y216 I226 P229 M263 F264 N269 D270 I271 V357 I360	Y216-I267 HydrophobicContact CE2-CD1 3.87Å; Y216-I267 HydrophobicContact CE2-CG1 4.5Å; Y216-I267 WeakPolarHBondContact OH-CG1 3.48Å; I226-I267 HydrophobicContact CD1-CG2 4.23Å; P229-I267 HydrophobicContact CG-CG1 4.34Å; M263-I267 HydrophobicContact CG-CD1 3.66Å; M263-I267 HydrophobicContact CG-CG1 4.39Å; M263-I267 WeakPolarHBondContact O-CD1 3.44Å; M263-I267 VanDerWaalsContact O-CG1 3.23Å; M263-I267 WeakPolarHBondContact O-CG1 3.25Å; M263-I267 PolarHBondContact O-N 3.35Å; M263-I267 HydrophobicContact SD-CD1 4.43Å; F264-I267 PolarHBondContact O-N 3.37Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 3.3Å; I267-D270 PolarHBondContact O-N 3.11Å; I267-I271 HydrophobicContact CG2-CD1 3.98Å; I267-I271 WeakPolarHBondContact O-CG1 3.29Å; I267-I271 PolarHBondContact O-N 3.4Å; I267-V357 HydrophobicContact CB-CG1 3.8Å; I267-V357 HydrophobicContact CD1-CG1 4.22Å; I267-V357 HydrophobicContact CG2-CB 4.35Å; I267-V357 HydrophobicContact CG2-CG1 3.63Å; I267-V357 HydrophobicContact CG2-CG2 3.81Å; I267-I360 HydrophobicContact CD1-CB 4.48Å; I267-I360 HydrophobicContact CD1-CG2 4.02Å
268	M	94.8	Very high	91.3	Very high	20 Å²	20	33.9 Å²	33.9	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-36.3	178	-81.4	-62.9	-176.2	0	0	113	F264 R265 E266 D270 I271 A353 K354 V357	F264-M268 HydrophobicContact CD1-CG 4.16Å; F264-M268 HydrophobicContact CE1-CE 4.3Å; F264-M268 HydrophobicContact CE1-CG 3.75Å; F264-M268 HydrophobicContact CE2-CE 3.65Å; F264-M268 HydrophobicContact CE2-CG 4.27Å; F264-M268 HydrophobicContact CZ-CE 3.43Å; F264-M268 VanDerWaalsContact CZ-CE 3.43Å; F264-M268 HydrophobicContact CZ-CG 3.81Å; F264-M268 HydrophobicContact CZ-SD 4.47Å; F264-M268 WeakPolarHBondContact O-CB 3.45Å; F264-M268 WeakPolarHBondContact O-CG 2.97Å; F264-M268 PolarHBondContact O-N 3.38Å; R265-M268 PolarHBondContact O-N 3.42Å; E266-M268 VanDerWaalsContact C-N 3.34Å; M268-D270 PolarHBondContact O-N 3.25Å; M268-I271 PolarHBondContact O-N 3.22Å; M268-I271 VanDerWaalsContact O-N 3.16Å; M268-I271 HydrophobicContact SD-CD1 4.14Å; M268-A353 HydrophobicContact CE-CB 4.15Å; M268-A353 HydrophobicContact SD-CB 4.33Å; M268-K354 HydrophobicContact CE-CB 4.19Å; M268-V357 HydrophobicContact CE-CB 3.88Å; M268-V357 HydrophobicContact CE-CG1 4.42Å; M268-V357 HydrophobicContact CE-CG2 3.72Å; M268-V357 HydrophobicContact CG-CG1 4.41Å; M268-V357 HydrophobicContact SD-CG2 4.12Å
269	N	91.4	Very high	90.3	Very high	28 Å²	28	34.3 Å²	34.3	15%	0.15	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-25.5	178.9	-74.6	-20.1	0	0	0	113.5	L87 G88 R265 E266 I267	L87-N269 PolarHBondContact O-ND2 2.61Å; G88-N269 PolarHBondContact O-ND2 3.43Å; G88-N269 PolarHBondContact O-OD1 3.17Å; R265-N269 PolarHBondContact O-N 3.39Å; R265-N269 PolarHBondContact O-ND2 2.92Å; E266-N269 PolarHBondContact O-N 2.85Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 3.3Å
270	D	92.6	Very high	89.7	Confident	20 Å²	20	36 Å²	36	11%	0.107	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	5.2	178.6	-80.3	-4.2	0	0	0	113.3	I226 P229 I267 M268 I273 R274	I226-D270 HydrophobicContact CD1-CB 3.88Å; P229-D270 HydrophobicContact CG-CB 4.44Å; I267-D270 PolarHBondContact O-N 3.11Å; M268-D270 PolarHBondContact O-N 3.25Å; D270-I273 CarbonylContact O-C 3.59Å; D270-I273 WeakPolarHBondContact O-CA 3.11Å; D270-I273 PolarHBondContact O-N 3.26Å; D270-R274 HydrophobicContact CB-CB 4.13Å; D270-R274 PolarHBondContact O-N 2.98Å; D270-R274 VanDerWaalsContact O-N 3.1Å; D270-R274 WeakPolarHBondContact OD1-CG 3.35Å; D270-R274 WeakPolarHBondContact OD2-CD 3.36Å; D270-R274 IonicContact OD2-NE 2.89Å
271	I	92.4	Very high	89.3	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.067	19%	0.188	C	C	.	.	S	Bend	trans	-98.3	137.5	174.8	-68.8	171.6	0	0	0	109.7	E224 I226 I267 M268 L298 V349 A353 V357	E224-I271 HydrophobicContact CB-CD1 4.38Å; E224-I271 HydrophobicContact CB-CG1 4.48Å; E224-I271 HydrophobicContact CG-CD1 3.86Å; E224-I271 HydrophobicContact CG-CG1 4.48Å; E224-I271 WeakPolarHBondContact OE2-CD1 3.29Å; I226-I271 HydrophobicContact CD1-CG1 4.28Å; I267-I271 HydrophobicContact CG2-CD1 3.98Å; I267-I271 WeakPolarHBondContact O-CG1 3.29Å; I267-I271 PolarHBondContact O-N 3.4Å; M268-I271 PolarHBondContact O-N 3.22Å; M268-I271 VanDerWaalsContact O-N 3.16Å; M268-I271 HydrophobicContact SD-CD1 4.14Å; I271-L298 HydrophobicContact CG2-CD1 3.73Å; I271-V349 HydrophobicContact CG2-CG1 3.82Å; I271-A353 HydrophobicContact CD1-CB 4.09Å; I271-A353 HydrophobicContact CG2-CB 4Å; I271-V357 HydrophobicContact CD1-CG2 3.39Å
272	P	91.4	Very high	89	Confident	13 Å²	13	42.5 Å²	42.5	8%	0.084	19%	0.194	C	C	.	.	S	Bend	cis	-84.9	-11.6	2.4	35.8	-35.1	0	0	0	113.5	Y291 A294 A295 L298 V349	P272-Y291 HydrophobicContact CG-CD2 4.27Å; P272-Y291 HydrophobicContact CG-CE2 4.04Å; P272-A294 HydrophobicContact CB-CB 3.88Å; P272-A294 HydrophobicContact CG-CB 4.1Å; P272-A295 HydrophobicContact CG-CB 4.24Å; P272-L298 HydrophobicContact CB-CD1 4.08Å; P272-V349 HydrophobicContact CB-CG1 4.26Å; P272-V349 HydrophobicContact CG-CG1 4.37Å
273	I	90.7	Very high	88.8	Confident	34 Å²	34	45.7 Å²	45.7	17%	0.174	21%	0.209	C	C	.	.	S	Bend	trans	-143	146.1	170.3	60.5	167.8	0	0	0	109.5	D270 L275 L287 K290 Y291 A294	D270-I273 CarbonylContact O-C 3.59Å; D270-I273 WeakPolarHBondContact O-CA 3.11Å; D270-I273 PolarHBondContact O-N 3.26Å; I273-L275 HydrophobicContact CG1-CD2 4.28Å; I273-L275 PolarHBondContact O-N 3.25Å; I273-L287 HydrophobicContact CD1-CD1 3.73Å; I273-K290 HydrophobicContact CD1-CB 3.8Å; I273-Y291 HydrophobicContact CD1-CD2 4.37Å; I273-Y291 HydrophobicContact CG1-CD2 3.87Å; I273-Y291 HydrophobicContact CG1-CG 4.49Å; I273-A294 HydrophobicContact CG2-CB 3.56Å
274	R	86.3	Confident	88.5	Confident	129 Å²	129	45.7 Å²	45.7	49%	0.487	21%	0.209	S	C	.	.			trans	-64.2	127	170	-180	169.5	-174.9	-178.4	3	110.4	D270	D270-R274 HydrophobicContact CB-CB 4.13Å; D270-R274 PolarHBondContact O-N 2.98Å; D270-R274 VanDerWaalsContact O-N 3.1Å; D270-R274 WeakPolarHBondContact OD1-CG 3.35Å; D270-R274 WeakPolarHBondContact OD2-CD 3.36Å; D270-R274 IonicContact OD2-NE 2.89Å
275	L	82.9	Confident	88.3	Confident	29 Å²	29	46.2 Å²	46.2	15%	0.152	21%	0.211	C	C	.	.			trans	-82.4	129.6	174.2	-56.7	-170.3	0	0	0	109.7	I83 I273 L287 Y291 L338	I83-L275 HydrophobicContact CG2-CB 4.19Å; I273-L275 HydrophobicContact CG1-CD2 4.28Å; I273-L275 PolarHBondContact O-N 3.25Å; L275-L287 HydrophobicContact CD2-CD1 4Å; L275-L287 HydrophobicContact CD2-CD2 4.18Å; L275-L287 HydrophobicContact CD2-CG 4.3Å; L275-Y291 HydrophobicContact CD2-CD2 4.03Å; L275-L338 HydrophobicContact CD2-CD2 4.4Å
276	S	76.3	Confident	88.2	Confident	67 Å²	67	51 Å²	51	47%	0.469	23%	0.229	S	C	.	.			trans	-109.2	153.1	176.8	60.6	0	0	0	0	110.6	I278	S276-I278 WeakPolarHBondContact O-CG1 3.22Å; S276-I278 PolarHBondContact O-N 2.94Å; S276-I278 VanDerWaalsContact O-N 3.17Å
277	R	73.3	Confident	88.1	Confident	75 Å²	75	51.1 Å²	51.1	28%	0.283	23%	0.23	S	C	.	.			trans	-55.5	122	171.8	-170.6	177.5	-177.6	179.5	6.1	110.7	Q79	Q79-R277 PolarHBondContact O-NH2 2.95Å
278	I	79.9	Confident	88.1	Confident	20 Å²	20	51.1 Å²	51.1	10%	0.103	23%	0.23	C	C	.	.			trans	-94.4	130.3	179.5	-63.9	-53.2	0	0	0	109.8	S276 F280 E283 A284 L287 K331 M335	S276-I278 WeakPolarHBondContact O-CG1 3.22Å; S276-I278 PolarHBondContact O-N 2.94Å; S276-I278 VanDerWaalsContact O-N 3.17Å; I278-F280 WeakPolarHBondContact CG2-O 3.45Å; I278-E283 HydrophobicContact CD1-CB 3.95Å; I278-E283 HydrophobicContact CG2-CB 4.11Å; I278-A284 HydrophobicContact CG2-CB 3.58Å; I278-L287 HydrophobicContact CD1-CB 3.89Å; I278-L287 HydrophobicContact CD1-CD2 3.64Å; I278-L287 HydrophobicContact CD1-CG 4.33Å; I278-L287 HydrophobicContact CG1-CB 4.48Å; I278-L287 HydrophobicContact CG1-CD2 3.62Å; I278-K331 HydrophobicContact CG2-CD 4.48Å; I278-K331 HydrophobicContact CG2-CG 4.37Å; I278-M335 HydrophobicContact CB-SD 4.14Å; I278-M335 HydrophobicContact CG1-SD 3.94Å; I278-M335 HydrophobicContact CG2-SD 4.32Å
279	K	76.1	Confident	88.1	Confident	62 Å²	62	54.6 Å²	54.6	27%	0.27	25%	0.245	S	C	.	.			trans	-107.8	-42.6	178.6	-61.1	174.7	-158.8	170	0	111.3	S70 L71 E283	S70-K279 PolarHBondContact O-NZ 3.24Å; L71-K279 HydrophobicContact CD2-CD 4.3Å; K279-E283 PolarHBondContact N-OE2 3.19Å
280	F	86.1	Confident	88.3	Confident	75 Å²	75	58.6 Å²	58.6	33%	0.329	26%	0.261	S	S	.	.	S	Bend	trans	-110.7	150.6	-173.2	-54.3	-70.8	0	0	0	111.6	E73 I278 E282 E283 A284	E73-F280 HydrophobicContact CG-CZ 4.43Å; E73-F280 WeakPolarHBondContact OE1-CE1 3.38Å; E73-F280 WeakPolarHBondContact OE1-CZ 3.41Å; I278-F280 WeakPolarHBondContact CG2-O 3.45Å; F280-E282 VanDerWaalsContact C-N 3.26Å; F280-E282 PolarHBondContact O-N 3.5Å; F280-E283 HydrophobicContact CB-CG 4.26Å; F280-E283 HydrophobicContact CD2-CG 4.35Å; F280-E283 PolarHBondContact N-OE2 3.43Å; F280-E283 WeakPolarHBondContact O-CB 3.43Å; F280-E283 PolarHBondContact O-N 3.01Å; F280-A284 PolarHBondContact O-N 3.41Å
281	R	90.1	Very high	88.4	Confident	85 Å²	85	58 Å²	58	32%	0.321	26%	0.257	S	S	.	.	H	α-helix	trans	-50.1	-44.8	174.7	176	-179.2	158.5	141.4	2.3	112.8	E283 A284 K285 H327 S328 A329 K331 Y334	R281-E283 VanDerWaalsContact C-N 3.31Å; R281-E283 PolarHBondContact O-N 3.49Å; R281-A284 WeakPolarHBondContact O-CB 3.46Å; R281-A284 PolarHBondContact O-N 3.49Å; R281-K285 PolarHBondContact O-N 3.15Å; R281-H327 PolarHBondContact NH2-O 3.06Å; R281-S328 PolarHBondContact NH1-O 3.47Å; R281-S328 VanDerWaalsContact NH2-C 3.34Å; R281-S328 PolarHBondContact NH2-O 2.73Å; R281-A329 PolarHBondContact NE-O 3.13Å; R281-A329 VanDerWaalsContact NE-O 3.08Å; R281-A329 PolarHBondContact NH1-O 3.21Å; R281-A329 PolarHBondContact NH2-O 3.44Å; R281-K331 HydrophobicContact CB-CB 4.31Å; R281-Y334 HydrophobicContact CG-CD2 4.1Å; R281-Y334 HydrophobicContact CG-CE2 3.75Å
282	E	90.1	Very high	88.6	Confident	108 Å²	108	57.3 Å²	57.3	51%	0.505	25%	0.254	S	S	.	.	H	α-helix	trans	-68.3	-29	179.4	-69.9	-56.9	152.8	0	0	113.5	F280 R286	F280-E282 VanDerWaalsContact C-N 3.26Å; F280-E282 PolarHBondContact O-N 3.5Å; E282-R286 VanDerWaalsContact O-CB 3.24Å; E282-R286 WeakPolarHBondContact O-CB 3.18Å; E282-R286 PolarHBondContact O-N 2.82Å
283	E	91.4	Very high	88.9	Confident	69 Å²	69	59.6 Å²	59.6	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-70.2	-40.2	172	-65.6	178.8	161.7	0	0	110.7	I278 K279 F280 R281 R286 L287	I278-E283 HydrophobicContact CD1-CB 3.95Å; I278-E283 HydrophobicContact CG2-CB 4.11Å; K279-E283 PolarHBondContact N-OE2 3.19Å; F280-E283 HydrophobicContact CB-CG 4.26Å; F280-E283 HydrophobicContact CD2-CG 4.35Å; F280-E283 PolarHBondContact N-OE2 3.43Å; F280-E283 WeakPolarHBondContact O-CB 3.43Å; F280-E283 PolarHBondContact O-N 3.01Å; R281-E283 VanDerWaalsContact C-N 3.31Å; R281-E283 PolarHBondContact O-N 3.49Å; E283-R286 PolarHBondContact O-N 2.97Å; E283-L287 WeakPolarHBondContact O-CB 3.32Å; E283-L287 PolarHBondContact O-N 3.04Å
284	A	90.1	Very high	89.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-50.4	175.8	0	0	0	0	0	110.9	I278 F280 R281 R286 L287 L288 K331 Y334 M335	I278-A284 HydrophobicContact CG2-CB 3.58Å; F280-A284 PolarHBondContact O-N 3.41Å; R281-A284 WeakPolarHBondContact O-CB 3.46Å; R281-A284 PolarHBondContact O-N 3.49Å; A284-R286 VanDerWaalsContact C-N 3.34Å; A284-R286 PolarHBondContact O-N 3.08Å; A284-L287 PolarHBondContact O-N 3.47Å; A284-L288 PolarHBondContact O-N 2.87Å; A284-K331 HydrophobicContact CB-CG 3.98Å; A284-Y334 HydrophobicContact CB-CD2 4.08Å; A284-Y334 HydrophobicContact CB-CG 4.24Å; A284-M335 HydrophobicContact CB-CG 4.48Å; A284-M335 HydrophobicContact CB-SD 4.26Å
285	K	93.4	Very high	89.6	Confident	61 Å²	61	52.8 Å²	52.8	27%	0.265	24%	0.239	S	C	.	.	H	α-helix	trans	-57.1	-46.4	175.8	-172.6	179	-177.7	173.3	0	111.8	R281 L288 F289 L323 Y334	R281-K285 PolarHBondContact O-N 3.15Å; K285-L288 PolarHBondContact O-N 2.72Å; K285-F289 WeakPolarHBondContact O-CB 3.39Å; K285-F289 PolarHBondContact O-N 2.99Å; K285-L323 HydrophobicContact CG-CD2 3.88Å; K285-Y334 HydrophobicContact CB-CD1 4.29Å; K285-Y334 HydrophobicContact CB-CD2 3.96Å; K285-Y334 HydrophobicContact CB-CE1 4.16Å; K285-Y334 HydrophobicContact CB-CE2 3.76Å; K285-Y334 HydrophobicContact CB-CG 4.24Å; K285-Y334 HydrophobicContact CD-CE1 4.43Å; K285-Y334 HydrophobicContact CD-CE2 4.39Å; K285-Y334 HydrophobicContact CG-CD1 4.45Å; K285-Y334 HydrophobicContact CG-CE1 3.98Å; K285-Y334 HydrophobicContact CG-CE2 4.26Å
286	R	92.5	Very high	90.2	Very high	153 Å²	153	55.4 Å²	55.4	58%	0.577	25%	0.247	S	C	*	.	H	α-helix	trans	-64.8	-40.3	179	-172.4	-176.1	-59.7	172.3	1.5	111.9	E282 E283 A284 K290	E282-R286 VanDerWaalsContact O-CB 3.24Å; E282-R286 WeakPolarHBondContact O-CB 3.18Å; E282-R286 PolarHBondContact O-N 2.82Å; E283-R286 PolarHBondContact O-N 2.97Å; A284-R286 VanDerWaalsContact C-N 3.34Å; A284-R286 PolarHBondContact O-N 3.08Å; R286-K290 HydrophobicContact CG-CD 4.36Å; R286-K290 WeakPolarHBondContact O-CB 3.31Å; R286-K290 VanDerWaalsContact O-CG 3.27Å; R286-K290 WeakPolarHBondContact O-CG 3.22Å; R286-K290 PolarHBondContact O-N 3.1Å
287	L	92.4	Very high	91.1	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.063	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-47.1	178.1	-178.8	64.7	0	0	0	111	I273 L275 I278 E283 A284 F289 K290 Y291 L338	I273-L287 HydrophobicContact CD1-CD1 3.73Å; L275-L287 HydrophobicContact CD2-CD1 4Å; L275-L287 HydrophobicContact CD2-CD2 4.18Å; L275-L287 HydrophobicContact CD2-CG 4.3Å; I278-L287 HydrophobicContact CD1-CB 3.89Å; I278-L287 HydrophobicContact CD1-CD2 3.64Å; I278-L287 HydrophobicContact CD1-CG 4.33Å; I278-L287 HydrophobicContact CG1-CB 4.48Å; I278-L287 HydrophobicContact CG1-CD2 3.62Å; E283-L287 WeakPolarHBondContact O-CB 3.32Å; E283-L287 PolarHBondContact O-N 3.04Å; A284-L287 PolarHBondContact O-N 3.47Å; L287-F289 VanDerWaalsContact C-N 3.33Å; L287-F289 PolarHBondContact O-N 3.36Å; L287-K290 PolarHBondContact O-N 2.91Å; L287-Y291 WeakPolarHBondContact O-CB 3.46Å; L287-Y291 PolarHBondContact O-N 3.29Å; L287-L338 HydrophobicContact CD2-CD2 3.64Å; L287-L338 HydrophobicContact CG-CD2 3.95Å
288	L	95.3	Very high	92.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.8	-48.3	175	175.2	60.2	0	0	0	111.5	A284 K285 K290 Y291 A292 T319 W322 L323 Y334 R337 L338 L341	A284-L288 PolarHBondContact O-N 2.87Å; K285-L288 PolarHBondContact O-N 2.72Å; L288-K290 PolarHBondContact O-N 2.9Å; L288-Y291 PolarHBondContact O-N 2.91Å; L288-A292 WeakPolarHBondContact O-CB 3.08Å; L288-A292 PolarHBondContact O-N 3.27Å; L288-T319 HydrophobicContact CD1-CG2 3.76Å; L288-T319 HydrophobicContact CD2-CG2 4.1Å; L288-T319 HydrophobicContact CG-CG2 3.89Å; L288-W322 HydrophobicContact CD2-CE3 4.43Å; L288-W322 HydrophobicContact CD2-CZ3 3.79Å; L288-L323 HydrophobicContact CD2-CD1 4.44Å; L288-L323 HydrophobicContact CD2-CD2 4.14Å; L288-L323 HydrophobicContact CD2-CG 4.39Å; L288-L323 HydrophobicContact CG-CD1 4.41Å; L288-Y334 HydrophobicContact CD2-CD1 4.03Å; L288-R337 HydrophobicContact CD2-CB 4.18Å; L288-R337 HydrophobicContact CD2-CG 4.45Å; L288-L338 HydrophobicContact CD1-CB 3.95Å; L288-L338 HydrophobicContact CD1-CD1 4.27Å; L288-L341 HydrophobicContact CD1-CD2 4.08Å
289	F	95.7	Very high	92.9	Very high	94 Å²	94	56 Å²	56	41%	0.412	24%	0.239	S	C	.	.	H	α-helix	trans	-58.8	-49.2	177	-176.9	-83.3	0	0	0	111.8	K285 L287 Y291 A292 E293 F320 L323	K285-F289 WeakPolarHBondContact O-CB 3.39Å; K285-F289 PolarHBondContact O-N 2.99Å; L287-F289 VanDerWaalsContact C-N 3.33Å; L287-F289 PolarHBondContact O-N 3.36Å; F289-Y291 VanDerWaalsContact C-N 3.33Å; F289-Y291 PolarHBondContact O-N 3.43Å; F289-A292 PolarHBondContact O-N 3.49Å; F289-E293 HydrophobicContact CE1-CB 4.49Å; F289-E293 WeakPolarHBondContact O-CB 3.42Å; F289-E293 PolarHBondContact O-N 2.87Å; F289-F320 AromaticContact CD2-CD1 3.87Å; F289-F320 HydrophobicContact CD2-CD1 3.87Å; F289-F320 AromaticContact CD2-CE1 3.47Å; F289-F320 HydrophobicContact CD2-CE1 3.47Å; F289-F320 VanDerWaalsContact CD2-CE1 3.47Å; F289-F320 AromaticContact CE2-CD1 3.83Å; F289-F320 HydrophobicContact CE2-CD1 3.83Å; F289-F320 AromaticContact CE2-CE1 3.41Å; F289-F320 HydrophobicContact CE2-CE1 3.41Å; F289-F320 VanDerWaalsContact CE2-CE1 3.41Å; F289-F320 HydrophobicContact CE2-CZ 4.24Å; F289-F320 HydrophobicContact CG-CE1 4.1Å; F289-F320 HydrophobicContact CZ-CE1 4.01Å; F289-F320 HydrophobicContact CZ-CZ 4.44Å; F289-L323 HydrophobicContact CB-CD1 4.26Å; F289-L323 HydrophobicContact CD2-CD1 4.18Å
290	K	95.1	Very high	93.7	Very high	112 Å²	112	57.2 Å²	57.2	49%	0.487	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-41	179.3	-77.4	179.9	173.8	-168.9	0	112.1	I273 R286 L287 L288 E293 A294	I273-K290 HydrophobicContact CD1-CB 3.8Å; R286-K290 HydrophobicContact CG-CD 4.36Å; R286-K290 WeakPolarHBondContact O-CB 3.31Å; R286-K290 VanDerWaalsContact O-CG 3.27Å; R286-K290 WeakPolarHBondContact O-CG 3.22Å; R286-K290 PolarHBondContact O-N 3.1Å; L287-K290 PolarHBondContact O-N 2.91Å; L288-K290 PolarHBondContact O-N 2.9Å; K290-E293 PolarHBondContact O-N 2.74Å; K290-A294 VanDerWaalsContact O-CB 3.24Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.15Å
291	Y	95.7	Very high	94	Very high	6 Å²	6	58 Å²	58	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-49.3	178.3	-174	-83.6	0	0	0	110.7	P272 I273 L275 L287 L288 F289 E293 A294 A295 L338 L341	P272-Y291 HydrophobicContact CG-CD2 4.27Å; P272-Y291 HydrophobicContact CG-CE2 4.04Å; I273-Y291 HydrophobicContact CD1-CD2 4.37Å; I273-Y291 HydrophobicContact CG1-CD2 3.87Å; I273-Y291 HydrophobicContact CG1-CG 4.49Å; L275-Y291 HydrophobicContact CD2-CD2 4.03Å; L287-Y291 WeakPolarHBondContact O-CB 3.46Å; L287-Y291 PolarHBondContact O-N 3.29Å; L288-Y291 PolarHBondContact O-N 2.91Å; F289-Y291 VanDerWaalsContact C-N 3.33Å; F289-Y291 PolarHBondContact O-N 3.43Å; Y291-E293 VanDerWaalsContact C-N 3.34Å; Y291-E293 PolarHBondContact O-N 2.78Å; Y291-A294 PolarHBondContact O-N 2.7Å; Y291-A295 HydrophobicContact CE1-CB 4.46Å; Y291-A295 WeakPolarHBondContact O-CB 3.45Å; Y291-A295 PolarHBondContact O-N 3.24Å; Y291-L338 HydrophobicContact CD1-CD1 4Å; Y291-L338 HydrophobicContact CD2-CD1 4Å; Y291-L338 HydrophobicContact CG-CD1 3.6Å; Y291-L341 HydrophobicContact CD1-CD2 3.78Å; Y291-L341 HydrophobicContact CD1-CG 4.12Å; Y291-L341 HydrophobicContact CE1-CD2 4.31Å; Y291-L341 HydrophobicContact CE1-CG 4.14Å
292	A	96.9	Very high	94.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-43.9	178.8	0	0	0	0	0	111.8	L288 F289 R296 V316 T319 F320 L341	L288-A292 WeakPolarHBondContact O-CB 3.08Å; L288-A292 PolarHBondContact O-N 3.27Å; F289-A292 PolarHBondContact O-N 3.49Å; A292-R296 PolarHBondContact O-N 3.41Å; A292-R296 VanDerWaalsContact O-N 3.08Å; A292-V316 HydrophobicContact CB-CG1 4.12Å; A292-V316 HydrophobicContact CB-CG2 4.35Å; A292-V316 WeakPolarHBondContact O-CG2 3.38Å; A292-T319 HydrophobicContact CB-CG2 4.32Å; A292-F320 HydrophobicContact CB-CE1 4Å; A292-F320 HydrophobicContact CB-CZ 4.06Å; A292-L341 HydrophobicContact CB-CD2 3.71Å
293	E	96.8	Very high	94.1	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-46.3	176.6	-167.4	-167.5	172.7	0	0	112	F289 K290 Y291 R296 R297 F320	F289-E293 HydrophobicContact CE1-CB 4.49Å; F289-E293 WeakPolarHBondContact O-CB 3.42Å; F289-E293 PolarHBondContact O-N 2.87Å; K290-E293 PolarHBondContact O-N 2.74Å; Y291-E293 VanDerWaalsContact C-N 3.34Å; Y291-E293 PolarHBondContact O-N 2.78Å; E293-R296 PolarHBondContact O-N 2.65Å; E293-R297 WeakPolarHBondContact O-CB 3.46Å; E293-R297 PolarHBondContact O-N 3.42Å; E293-R297 IonicContact OE1-NH2 2.73Å; E293-R297 PolarHBondContact OE1-NH2 3.47Å; E293-F320 HydrophobicContact CB-CZ 4.23Å
294	A	95.6	Very high	94.2	Very high	20 Å²	20	54.9 Å²	54.9	17%	0.165	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-41.2	-179.3	0	0	0	0	0	112	P272 I273 K290 Y291 R296 R297 L298	P272-A294 HydrophobicContact CB-CB 3.88Å; P272-A294 HydrophobicContact CG-CB 4.1Å; I273-A294 HydrophobicContact CG2-CB 3.56Å; K290-A294 VanDerWaalsContact O-CB 3.24Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.15Å; Y291-A294 PolarHBondContact O-N 2.7Å; A294-R296 PolarHBondContact O-N 3.34Å; A294-R297 PolarHBondContact O-N 3.44Å; A294-L298 WeakPolarHBondContact O-CB 3.18Å; A294-L298 PolarHBondContact O-N 3.45Å
295	A	96.2	Very high	94.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-44.8	174.7	0	0	0	0	0	111.8	P272 Y291 L298 I299 V312 V316 V349	P272-A295 HydrophobicContact CG-CB 4.24Å; Y291-A295 HydrophobicContact CE1-CB 4.46Å; Y291-A295 WeakPolarHBondContact O-CB 3.45Å; Y291-A295 PolarHBondContact O-N 3.24Å; A295-L298 PolarHBondContact O-N 3.34Å; A295-I299 PolarHBondContact O-N 2.8Å; A295-I299 VanDerWaalsContact O-N 3.13Å; A295-V312 HydrophobicContact CB-CG1 4.32Å; A295-V316 HydrophobicContact CB-CG2 4.41Å; A295-V349 HydrophobicContact CB-CG2 4.11Å
296	R	96.2	Very high	94.5	Very high	85 Å²	85	59.1 Å²	59.1	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-47	174.7	-176.3	-178.9	72	-176.9	0.9	111.8	A292 E293 A294 L298 I299 E300 V316	A292-R296 PolarHBondContact O-N 3.41Å; A292-R296 VanDerWaalsContact O-N 3.08Å; E293-R296 PolarHBondContact O-N 2.65Å; A294-R296 PolarHBondContact O-N 3.34Å; R296-L298 VanDerWaalsContact C-N 3.31Å; R296-L298 PolarHBondContact O-N 2.92Å; R296-I299 WeakPolarHBondContact O-CG2 3.48Å; R296-I299 PolarHBondContact O-N 2.72Å; R296-E300 HydrophobicContact CG-CG 4.42Å; R296-E300 WeakPolarHBondContact O-CB 3.44Å; R296-E300 VanDerWaalsContact O-CG 3.26Å; R296-E300 WeakPolarHBondContact O-CG 3.48Å; R296-E300 PolarHBondContact O-N 2.88Å; R296-E300 VanDerWaalsContact O-N 3.1Å; R296-V316 HydrophobicContact CB-CB 4.49Å; R296-V316 HydrophobicContact CB-CG1 4.01Å; R296-V316 HydrophobicContact CB-CG2 4.3Å
297	R	95.3	Very high	94.6	Very high	157 Å²	157	57.1 Å²	57.1	59%	0.592	30%	0.301	S	S	*	.	H	α-helix	trans	-60.4	-41.9	179.9	-171.5	-176.9	-62.6	-177.5	1.9	111.6	E293 A294 E300 S301	E293-R297 WeakPolarHBondContact O-CB 3.46Å; E293-R297 PolarHBondContact O-N 3.42Å; E293-R297 IonicContact OE1-NH2 2.73Å; E293-R297 PolarHBondContact OE1-NH2 3.47Å; A294-R297 PolarHBondContact O-N 3.44Å; R297-E300 PolarHBondContact O-N 3.32Å; R297-S301 WeakPolarHBondContact O-CB 3.47Å; R297-S301 PolarHBondContact O-N 2.96Å; R297-S301 PolarHBondContact O-OG 3.05Å
298	L	94.4	Very high	94.7	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-48.1	179.8	-169.3	152.7	0	0	0	111.2	I271 P272 A294 A295 R296 E300 S301 R302 V349 A352 A353	I271-L298 HydrophobicContact CG2-CD1 3.73Å; P272-L298 HydrophobicContact CB-CD1 4.08Å; A294-L298 WeakPolarHBondContact O-CB 3.18Å; A294-L298 PolarHBondContact O-N 3.45Å; A295-L298 PolarHBondContact O-N 3.34Å; R296-L298 VanDerWaalsContact C-N 3.31Å; R296-L298 PolarHBondContact O-N 2.92Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.02Å; L298-S301 PolarHBondContact O-N 2.93Å; L298-S301 PolarHBondContact O-OG 2.55Å; L298-R302 VanDerWaalsContact O-CB 3.32Å; L298-R302 WeakPolarHBondContact O-CB 3.37Å; L298-R302 WeakPolarHBondContact O-CG 3.4Å; L298-R302 PolarHBondContact O-N 3.19Å; L298-V349 HydrophobicContact CD1-CG1 4.03Å; L298-V349 HydrophobicContact CD2-CG1 4.17Å; L298-A352 HydrophobicContact CD2-CB 3.71Å; L298-A353 HydrophobicContact CD1-CB 4.47Å
299	I	95.6	Very high	94.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.7	-20.9	-178.3	-149.3	69.3	0	0	0	113.6	A295 R296 A304 R309 V312 A352	A295-I299 PolarHBondContact O-N 2.8Å; A295-I299 VanDerWaalsContact O-N 3.13Å; R296-I299 WeakPolarHBondContact O-CG2 3.48Å; R296-I299 PolarHBondContact O-N 2.72Å; I299-A304 HydrophobicContact CD1-CB 3.5Å; I299-A304 VanDerWaalsContact CD1-CB 3.5Å; I299-A304 HydrophobicContact CG1-CB 3.98Å; I299-R309 HydrophobicContact CG1-CB 4.37Å; I299-R309 PolarHBondContact O-NE 3.45Å; I299-V312 HydrophobicContact CB-CB 4.35Å; I299-V312 HydrophobicContact CB-CG1 4.14Å; I299-V312 HydrophobicContact CD1-CG2 4.36Å; I299-V312 HydrophobicContact CG1-CB 4.23Å; I299-V312 HydrophobicContact CG1-CG2 4.23Å; I299-V312 HydrophobicContact CG2-CB 4.05Å; I299-V312 HydrophobicContact CG2-CG1 3.78Å; I299-A352 HydrophobicContact CD1-CB 3.89Å
300	E	93.6	Very high	94.8	Very high	88 Å²	88	64.1 Å²	64.1	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-84.2	-39.4	176.3	-74.7	179.1	161.1	0	0	112.6	R296 R297 L298 K313	R296-E300 HydrophobicContact CG-CG 4.42Å; R296-E300 WeakPolarHBondContact O-CB 3.44Å; R296-E300 VanDerWaalsContact O-CG 3.26Å; R296-E300 WeakPolarHBondContact O-CG 3.48Å; R296-E300 PolarHBondContact O-N 2.88Å; R296-E300 VanDerWaalsContact O-N 3.1Å; R297-E300 PolarHBondContact O-N 3.32Å; L298-E300 VanDerWaalsContact C-N 3.26Å; L298-E300 PolarHBondContact O-N 3.02Å; E300-K313 VanDerWaalsContact OE1-CE 3.26Å; E300-K313 WeakPolarHBondContact OE1-CE 3.48Å; E300-K313 IonicContact OE1-NZ 3.58Å; E300-K313 PolarHBondContact OE1-NZ 3.2Å
301	S	91.8	Very high	94.9	Very high	91 Å²	91	61 Å²	61	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-83.1	-19.1	-178.7	57.3	0	0	0	0	113.8	R297 L298	R297-S301 WeakPolarHBondContact O-CB 3.47Å; R297-S301 PolarHBondContact O-N 2.96Å; R297-S301 PolarHBondContact O-OG 3.05Å; L298-S301 PolarHBondContact O-N 2.93Å; L298-S301 PolarHBondContact O-OG 2.55Å
302	R	91.6	Very high	94.9	Very high	50 Å²	50	60.7 Å²	60.7	19%	0.189	32%	0.32	C	S	.	.	S	Bend	trans	-109.1	158.6	-177.9	-61.6	-171.7	173.6	-165.8	-14.6	113	R223 E224 L298 A304 R309 A352 A353	R223-R302 PolarHBondContact O-NH2 2.95Å; E224-R302 IonicContact OE1-CZ 3.35Å; E224-R302 VanDerWaalsContact OE1-CZ 3.27Å; E224-R302 IonicContact OE1-NH1 3.06Å; E224-R302 PolarHBondContact OE1-NH1 2.9Å; E224-R302 IonicContact OE1-NH2 2.79Å; E224-R302 PolarHBondContact OE1-NH2 3.5Å; E224-R302 IonicContact OE2-CZ 3.73Å; E224-R302 VanDerWaalsContact OE2-CZ 3.28Å; E224-R302 IonicContact OE2-NH1 3.97Å; E224-R302 PolarHBondContact OE2-NH1 2.76Å; E224-R302 IonicContact OE2-NH2 2.73Å; E224-R302 PolarHBondContact OE2-NH2 3.21Å; L298-R302 VanDerWaalsContact O-CB 3.32Å; L298-R302 WeakPolarHBondContact O-CB 3.37Å; L298-R302 WeakPolarHBondContact O-CG 3.4Å; L298-R302 PolarHBondContact O-N 3.19Å; R302-A304 PolarHBondContact O-N 3.4Å; R302-R309 PolarHBondContact O-NH2 2.72Å; R302-A352 HydrophobicContact CB-CB 4.47Å; R302-A352 WeakPolarHBondContact CD-O 3.13Å; R302-A353 VanDerWaalsContact NH1-CA 3.27Å
303	S	90.4	Very high	94.9	Very high	117 Å²	117	64.5 Å²	64.5	82%	0.818	34%	0.336	S	S	*	.			trans	-63.9	123.4	169.6	-62.8	0	0	0	0	109.5
304	A	93.4	Very high	94.9	Very high	30 Å²	30	70.2 Å²	70.2	25%	0.248	36%	0.355	C	S	.	.			trans	-150.3	154.2	177.4	0	0	0	0	0	109.3	I299 R302 A352	I299-A304 HydrophobicContact CD1-CB 3.5Å; I299-A304 VanDerWaalsContact CD1-CB 3.5Å; I299-A304 HydrophobicContact CG1-CB 3.98Å; R302-A304 PolarHBondContact O-N 3.4Å; A304-A352 HydrophobicContact CB-CB 4.46Å
305	S	94.8	Very high	95	Very high	57 Å²	57	69.7 Å²	69.7	40%	0.399	35%	0.35	S	S	.	.			trans	-62.2	147.6	175.3	69.8	0	0	0	0	110.9	D307 S308 R309	S305-D307 PolarHBondContact O-N 3.32Å; S305-D307 VanDerWaalsContact O-N 3.15Å; S305-S308 PolarHBondContact O-N 2.83Å; S305-S308 VanDerWaalsContact O-N 3.16Å; S305-S308 WeakPolarHBondContact OG-CB 3.13Å; S305-S308 PolarHBondContact OG-N 2.89Å; S305-S308 PolarHBondContact OG-OG 2.62Å; S305-R309 PolarHBondContact O-N 3.29Å
306	P	95	Very high	95.1	Very high	93 Å²	93	69.7 Å²	69.7	60%	0.604	35%	0.35	S	S	*	.	H	α-helix	trans	-53.5	-35.7	177.5	-27.4	35.3	0	0	0	112.9	K310	P306-K310 VanDerWaalsContact O-CG 3.31Å; P306-K310 WeakPolarHBondContact O-CG 3.17Å; P306-K310 PolarHBondContact O-N 3.24Å
307	D	95	Very high	95.2	Very high	111 Å²	111	69.8 Å²	69.8	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-70.1	-47.3	178.7	-60.5	-28.9	0	0	0	111.8	S305 R309 K310 V311	S305-D307 PolarHBondContact O-N 3.32Å; S305-D307 VanDerWaalsContact O-N 3.15Å; D307-R309 VanDerWaalsContact C-N 3.25Å; D307-R309 PolarHBondContact O-N 3.21Å; D307-K310 PolarHBondContact O-N 3.23Å; D307-K310 VanDerWaalsContact O-N 3.12Å; D307-V311 WeakPolarHBondContact O-CG2 3.4Å; D307-V311 PolarHBondContact O-N 2.91Å
308	S	94.9	Very high	95.3	Very high	17 Å²	17	65.5 Å²	65.5	12%	0.119	34%	0.343	C	S	.	.	H	α-helix	trans	-57.3	-41.9	174.5	-63.5	0	0	0	0	111.4	S305 V311 V312 H348	S305-S308 PolarHBondContact O-N 2.83Å; S305-S308 VanDerWaalsContact O-N 3.16Å; S305-S308 WeakPolarHBondContact OG-CB 3.13Å; S305-S308 PolarHBondContact OG-N 2.89Å; S305-S308 PolarHBondContact OG-OG 2.62Å; S308-V311 PolarHBondContact O-N 2.8Å; S308-V312 WeakPolarHBondContact O-CG2 3.5Å; S308-V312 PolarHBondContact O-N 2.86Å; S308-H348 VanDerWaalsContact CB-ND1 3.31Å; S308-H348 WeakPolarHBondContact CB-ND1 3.08Å; S308-H348 PolarHBondContact OG-ND1 3.49Å
309	R	95.6	Very high	95.4	Very high	96 Å²	96	64.9 Å²	64.9	36%	0.362	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-42.4	177.7	-174.1	177.2	-74.5	168.4	-1.3	111.8	I299 R302 S305 D307 K313	I299-R309 HydrophobicContact CG1-CB 4.37Å; I299-R309 PolarHBondContact O-NE 3.45Å; R302-R309 PolarHBondContact O-NH2 2.72Å; S305-R309 PolarHBondContact O-N 3.29Å; D307-R309 VanDerWaalsContact C-N 3.25Å; D307-R309 PolarHBondContact O-N 3.21Å; R309-K313 HydrophobicContact CG-CD 4.15Å; R309-K313 VanDerWaalsContact O-CB 3.32Å; R309-K313 WeakPolarHBondContact O-CB 3.47Å; R309-K313 VanDerWaalsContact O-CG 3.22Å; R309-K313 WeakPolarHBondContact O-CG 3.32Å; R309-K313 PolarHBondContact O-N 3.14Å; R309-K313 VanDerWaalsContact O-N 3.09Å
310	K	96.5	Very high	95.5	Very high	140 Å²	140	65.9 Å²	65.9	61%	0.609	34%	0.344	S	S	*	.	H	α-helix	trans	-64.5	-47.4	176	-74.3	171.1	-175.9	173.4	0	111.5	P306 D307 V312 K313 W314	P306-K310 VanDerWaalsContact O-CG 3.31Å; P306-K310 WeakPolarHBondContact O-CG 3.17Å; P306-K310 PolarHBondContact O-N 3.24Å; D307-K310 PolarHBondContact O-N 3.23Å; D307-K310 VanDerWaalsContact O-N 3.12Å; K310-V312 PolarHBondContact O-N 3.47Å; K310-K313 PolarHBondContact O-N 3.22Å; K310-W314 WeakPolarHBondContact O-CB 3.38Å; K310-W314 PolarHBondContact O-N 3.14Å
311	V	96.9	Very high	95.6	Very high	46 Å²	46	63 Å²	63	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-49.8	-179.1	173.1	0	0	0	0	111	D307 S308 W314 N315	D307-V311 WeakPolarHBondContact O-CG2 3.4Å; D307-V311 PolarHBondContact O-N 2.91Å; S308-V311 PolarHBondContact O-N 2.8Å; V311-W314 PolarHBondContact O-N 3.03Å; V311-N315 WeakPolarHBondContact CG1-ND2 3.29Å; V311-N315 PolarHBondContact O-N 3.04Å; V311-N315 VanDerWaalsContact O-N 3.11Å; V311-N315 PolarHBondContact O-ND2 3.14Å
312	V	96.7	Very high	95.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-46.9	179.5	175.1	0	0	0	0	111.1	A295 I299 S308 K310 W314 N315 V316 C345 H348	A295-V312 HydrophobicContact CB-CG1 4.32Å; I299-V312 HydrophobicContact CB-CB 4.35Å; I299-V312 HydrophobicContact CB-CG1 4.14Å; I299-V312 HydrophobicContact CD1-CG2 4.36Å; I299-V312 HydrophobicContact CG1-CB 4.23Å; I299-V312 HydrophobicContact CG1-CG2 4.23Å; I299-V312 HydrophobicContact CG2-CB 4.05Å; I299-V312 HydrophobicContact CG2-CG1 3.78Å; S308-V312 WeakPolarHBondContact O-CG2 3.5Å; S308-V312 PolarHBondContact O-N 2.86Å; K310-V312 PolarHBondContact O-N 3.47Å; V312-W314 VanDerWaalsContact C-N 3.32Å; V312-W314 PolarHBondContact O-N 3.12Å; V312-N315 PolarHBondContact O-N 3.41Å; V312-V316 HydrophobicContact CG1-CG2 4.25Å; V312-V316 WeakPolarHBondContact O-CB 3.4Å; V312-V316 VanDerWaalsContact O-CG2 3.26Å; V312-V316 WeakPolarHBondContact O-CG2 3.49Å; V312-V316 PolarHBondContact O-N 2.99Å; V312-C345 HydrophobicContact CG2-CB 4.24Å; V312-H348 HydrophobicContact CG2-CB 3.58Å
313	K	96.7	Very high	95.9	Very high	81 Å²	81	59.1 Å²	59.1	35%	0.352	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-40.8	-179.6	-75.4	-175.2	-175.4	-133.2	0	112.5	E300 R309 K310 E317	E300-K313 VanDerWaalsContact OE1-CE 3.26Å; E300-K313 WeakPolarHBondContact OE1-CE 3.48Å; E300-K313 IonicContact OE1-NZ 3.58Å; E300-K313 PolarHBondContact OE1-NZ 3.2Å; R309-K313 HydrophobicContact CG-CD 4.15Å; R309-K313 VanDerWaalsContact O-CB 3.32Å; R309-K313 WeakPolarHBondContact O-CB 3.47Å; R309-K313 VanDerWaalsContact O-CG 3.22Å; R309-K313 WeakPolarHBondContact O-CG 3.32Å; R309-K313 PolarHBondContact O-N 3.14Å; R309-K313 VanDerWaalsContact O-N 3.09Å; K310-K313 PolarHBondContact O-N 3.22Å; K313-E317 WeakPolarHBondContact O-CB 3.03Å; K313-E317 PolarHBondContact O-N 2.79Å
314	W	97.5	Very high	96	Very high	179 Å²	179	61 Å²	61	68%	0.678	30%	0.296	S	S	*	.	H	α-helix	trans	-65.9	-49.9	179	177.8	55.2	0	0	0	112.1	K310 V311 V312 V316 E317 D318	K310-W314 WeakPolarHBondContact O-CB 3.38Å; K310-W314 PolarHBondContact O-N 3.14Å; V311-W314 PolarHBondContact O-N 3.03Å; V312-W314 VanDerWaalsContact C-N 3.32Å; V312-W314 PolarHBondContact O-N 3.12Å; W314-V316 VanDerWaalsContact C-N 3.29Å; W314-V316 PolarHBondContact O-N 2.91Å; W314-E317 PolarHBondContact O-N 3.15Å; W314-D318 WeakPolarHBondContact O-CB 3.26Å; W314-D318 PolarHBondContact O-N 3.05Å
315	N	97.8	Very high	95.9	Very high	9 Å²	9	67.7 Å²	67.7	5%	0.048	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-35.4	178.3	-76.2	-66.6	0	0	0	112.7	V311 V312 T319 L341	V311-N315 WeakPolarHBondContact CG1-ND2 3.29Å; V311-N315 PolarHBondContact O-N 3.04Å; V311-N315 VanDerWaalsContact O-N 3.11Å; V311-N315 PolarHBondContact O-ND2 3.14Å; V312-N315 PolarHBondContact O-N 3.41Å; N315-T319 WeakPolarHBondContact O-CB 3.44Å; N315-T319 PolarHBondContact O-N 2.93Å; N315-T319 PolarHBondContact O-OG1 2.89Å; N315-L341 HydrophobicContact CB-CD1 3.82Å
316	V	97.7	Very high	95.2	Very high	1 Å²	1	67 Å²	67	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-45.6	174.4	168.5	0	0	0	0	111.5	A292 A295 R296 V312 W314 D318 T319 F320	A292-V316 HydrophobicContact CB-CG1 4.12Å; A292-V316 HydrophobicContact CB-CG2 4.35Å; A292-V316 WeakPolarHBondContact O-CG2 3.38Å; A295-V316 HydrophobicContact CB-CG2 4.41Å; R296-V316 HydrophobicContact CB-CB 4.49Å; R296-V316 HydrophobicContact CB-CG1 4.01Å; R296-V316 HydrophobicContact CB-CG2 4.3Å; V312-V316 HydrophobicContact CG1-CG2 4.25Å; V312-V316 WeakPolarHBondContact O-CB 3.4Å; V312-V316 VanDerWaalsContact O-CG2 3.26Å; V312-V316 WeakPolarHBondContact O-CG2 3.49Å; V312-V316 PolarHBondContact O-N 2.99Å; W314-V316 VanDerWaalsContact C-N 3.29Å; W314-V316 PolarHBondContact O-N 2.91Å; V316-D318 VanDerWaalsContact C-N 3.33Å; V316-D318 PolarHBondContact O-N 2.95Å; V316-T319 PolarHBondContact O-N 3.42Å; V316-F320 HydrophobicContact CG1-CD2 3.67Å; V316-F320 HydrophobicContact CG1-CE2 3.31Å; V316-F320 HydrophobicContact CG1-CZ 4Å; V316-F320 WeakPolarHBondContact O-CD2 3.41Å; V316-F320 PolarHBondContact O-N 3.13Å
317	E	97.4	Very high	94.3	Very high	86 Å²	86	69.4 Å²	69.4	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-66.1	-36.6	178.5	-173.6	58.6	-146.3	0	0	112	K313 W314 F320 S321 R324	K313-E317 WeakPolarHBondContact O-CB 3.03Å; K313-E317 PolarHBondContact O-N 2.79Å; W314-E317 PolarHBondContact O-N 3.15Å; E317-F320 PolarHBondContact O-N 3.34Å; E317-S321 VanDerWaalsContact O-CB 3.24Å; E317-S321 WeakPolarHBondContact O-CB 3.5Å; E317-S321 PolarHBondContact O-N 3.25Å; E317-S321 PolarHBondContact O-OG 3.32Å; E317-R324 IonicContact OE1-CZ 2.69Å; E317-R324 IonicContact OE1-NH2 2.75Å; E317-R324 PolarHBondContact OE1-NH2 3.4Å
318	D	97.1	Very high	93.9	Very high	68 Å²	68	68.7 Å²	68.7	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-61.1	-46.3	172.3	178.9	65.8	0	0	0	111.1	W314 V316 F320 S321 W322 R337	W314-D318 WeakPolarHBondContact O-CB 3.26Å; W314-D318 PolarHBondContact O-N 3.05Å; V316-D318 VanDerWaalsContact C-N 3.33Å; V316-D318 PolarHBondContact O-N 2.95Å; D318-F320 PolarHBondContact O-N 2.88Å; D318-S321 PolarHBondContact O-N 3.22Å; D318-W322 PolarHBondContact O-N 2.83Å; D318-R337 IonicContact OD1-NH2 3.63Å; D318-R337 IonicContact OD2-CZ 3.42Å; D318-R337 IonicContact OD2-NH2 2.64Å; D318-R337 PolarHBondContact OD2-NH2 2.75Å
319	T	96.9	Very high	93.7	Very high	3 Å²	3	68 Å²	68	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-45.6	175.7	-61.4	0	0	0	0	112	L288 A292 N315 V316 S321 W322 L323 L341	L288-T319 HydrophobicContact CD1-CG2 3.76Å; L288-T319 HydrophobicContact CD2-CG2 4.1Å; L288-T319 HydrophobicContact CG-CG2 3.89Å; A292-T319 HydrophobicContact CB-CG2 4.32Å; N315-T319 WeakPolarHBondContact O-CB 3.44Å; N315-T319 PolarHBondContact O-N 2.93Å; N315-T319 PolarHBondContact O-OG1 2.89Å; V316-T319 PolarHBondContact O-N 3.42Å; T319-S321 VanDerWaalsContact C-N 3.32Å; T319-S321 PolarHBondContact O-N 2.75Å; T319-W322 PolarHBondContact O-N 2.73Å; T319-L323 HydrophobicContact CG2-CD1 4.21Å; T319-L323 WeakPolarHBondContact O-CB 3.33Å; T319-L323 WeakPolarHBondContact O-CG 3.01Å; T319-L323 PolarHBondContact O-N 2.81Å; T319-L341 HydrophobicContact CG2-CD2 4.21Å
320	F	97.3	Very high	93.6	Very high	20 Å²	20	65.2 Å²	65.2	9%	0.088	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-34.6	176.1	-72.7	-36.9	0	0	0	112.9	F289 A292 E293 V316 E317 D318 L323 R324	F289-F320 AromaticContact CD2-CD1 3.87Å; F289-F320 HydrophobicContact CD2-CD1 3.87Å; F289-F320 AromaticContact CD2-CE1 3.47Å; F289-F320 HydrophobicContact CD2-CE1 3.47Å; F289-F320 VanDerWaalsContact CD2-CE1 3.47Å; F289-F320 AromaticContact CE2-CD1 3.83Å; F289-F320 HydrophobicContact CE2-CD1 3.83Å; F289-F320 AromaticContact CE2-CE1 3.41Å; F289-F320 HydrophobicContact CE2-CE1 3.41Å; F289-F320 VanDerWaalsContact CE2-CE1 3.41Å; F289-F320 HydrophobicContact CE2-CZ 4.24Å; F289-F320 HydrophobicContact CG-CE1 4.1Å; F289-F320 HydrophobicContact CZ-CE1 4.01Å; F289-F320 HydrophobicContact CZ-CZ 4.44Å; A292-F320 HydrophobicContact CB-CE1 4Å; A292-F320 HydrophobicContact CB-CZ 4.06Å; E293-F320 HydrophobicContact CB-CZ 4.23Å; V316-F320 HydrophobicContact CG1-CD2 3.67Å; V316-F320 HydrophobicContact CG1-CE2 3.31Å; V316-F320 HydrophobicContact CG1-CZ 4Å; V316-F320 WeakPolarHBondContact O-CD2 3.41Å; V316-F320 PolarHBondContact O-N 3.13Å; E317-F320 PolarHBondContact O-N 3.34Å; D318-F320 PolarHBondContact O-N 2.88Å; F320-L323 HydrophobicContact CD1-CD1 4.27Å; F320-R324 WeakPolarHBondContact O-CG 3.47Å; F320-R324 PolarHBondContact O-N 3.07Å; F320-R324 VanDerWaalsContact O-N 3.13Å; F320-R324 PolarHBondContact O-NE 3.47Å
321	S	96.2	Very high	93.4	Very high	29 Å²	29	61.9 Å²	61.9	20%	0.203	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-41.1	175.5	-65.4	0	0	0	0	111.6	E317 D318 T319 R324 K325	E317-S321 VanDerWaalsContact O-CB 3.24Å; E317-S321 WeakPolarHBondContact O-CB 3.5Å; E317-S321 PolarHBondContact O-N 3.25Å; E317-S321 PolarHBondContact O-OG 3.32Å; D318-S321 PolarHBondContact O-N 3.22Å; T319-S321 VanDerWaalsContact C-N 3.32Å; T319-S321 PolarHBondContact O-N 2.75Å; S321-R324 PolarHBondContact O-N 2.95Å; S321-R324 PolarHBondContact OG-NH2 3.22Å; S321-R324 VanDerWaalsContact OG-NH2 3.12Å; S321-K325 WeakPolarHBondContact O-CG 3.49Å; S321-K325 PolarHBondContact O-N 2.94Å
322	W	95.9	Very high	93.2	Very high	42 Å²	42	64.2 Å²	64.2	16%	0.159	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-44.8	173.9	175.7	82.1	0	0	0	112.2	L288 D318 T319 R324 K325 D326 A329 D333 Y334	L288-W322 HydrophobicContact CD2-CE3 4.43Å; L288-W322 HydrophobicContact CD2-CZ3 3.79Å; D318-W322 PolarHBondContact O-N 2.83Å; T319-W322 PolarHBondContact O-N 2.73Å; W322-R324 PolarHBondContact O-N 3.25Å; W322-R324 VanDerWaalsContact O-N 3.16Å; W322-K325 PolarHBondContact O-N 3.05Å; W322-D326 PolarHBondContact O-N 3.34Å; W322-A329 HydrophobicContact CH2-CB 3.65Å; W322-A329 HydrophobicContact CZ2-CB 3.51Å; W322-D333 HydrophobicContact CH2-CB 4.43Å; W322-D333 HydrophobicContact CZ2-CB 4.33Å; W322-Y334 AromaticContact CH2-CD1 3.38Å; W322-Y334 HydrophobicContact CH2-CD1 3.38Å; W322-Y334 AromaticContact CH2-CE1 3.42Å; W322-Y334 HydrophobicContact CH2-CE1 3.42Å; W322-Y334 VanDerWaalsContact CH2-CE1 3.42Å; W322-Y334 HydrophobicContact CH2-CG 4.41Å; W322-Y334 AromaticContact CZ3-CD1 3.43Å; W322-Y334 HydrophobicContact CZ3-CD1 3.43Å; W322-Y334 VanDerWaalsContact CZ3-CD1 3.43Å; W322-Y334 AromaticContact CZ3-CE1 3.46Å; W322-Y334 HydrophobicContact CZ3-CE1 3.46Å; W322-Y334 VanDerWaalsContact CZ3-CE1 3.46Å
323	L	94.4	Very high	93	Very high	17 Å²	17	67.7 Å²	67.7	9%	0.089	32%	0.32	C	S	.	.	H	α-helix	trans	-58.3	-28.4	175.8	-79.6	172.8	0	0	0	113.6	K285 L288 F289 T319 F320 Y334	K285-L323 HydrophobicContact CG-CD2 3.88Å; L288-L323 HydrophobicContact CD2-CD1 4.44Å; L288-L323 HydrophobicContact CD2-CD2 4.14Å; L288-L323 HydrophobicContact CD2-CG 4.39Å; L288-L323 HydrophobicContact CG-CD1 4.41Å; F289-L323 HydrophobicContact CB-CD1 4.26Å; F289-L323 HydrophobicContact CD2-CD1 4.18Å; T319-L323 HydrophobicContact CG2-CD1 4.21Å; T319-L323 WeakPolarHBondContact O-CB 3.33Å; T319-L323 WeakPolarHBondContact O-CG 3.01Å; T319-L323 PolarHBondContact O-N 2.81Å; F320-L323 HydrophobicContact CD1-CD1 4.27Å; L323-Y334 HydrophobicContact CD2-CD1 4.13Å; L323-Y334 HydrophobicContact CD2-CE1 3.69Å
324	R	93.4	Very high	92.9	Very high	156 Å²	156	63.9 Å²	63.9	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-81.3	-27.4	175.4	-76.6	-178.3	-70.6	-178.4	-4.2	113.6	E317 F320 S321 W322 H327	E317-R324 IonicContact OE1-CZ 2.69Å; E317-R324 IonicContact OE1-NH2 2.75Å; E317-R324 PolarHBondContact OE1-NH2 3.4Å; F320-R324 WeakPolarHBondContact O-CG 3.47Å; F320-R324 PolarHBondContact O-N 3.07Å; F320-R324 VanDerWaalsContact O-N 3.13Å; F320-R324 PolarHBondContact O-NE 3.47Å; S321-R324 PolarHBondContact O-N 2.95Å; S321-R324 PolarHBondContact OG-NH2 3.22Å; S321-R324 VanDerWaalsContact OG-NH2 3.12Å; W322-R324 PolarHBondContact O-N 3.25Å; W322-R324 VanDerWaalsContact O-N 3.16Å; R324-H327 PolarHBondContact O-CE1 2.8Å
325	K	90.9	Very high	92.7	Very high	171 Å²	171	57 Å²	57	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-91	-46.8	-175.5	-72.7	175.7	-178.9	179.9	0	111.9	S321 W322 H327	S321-K325 WeakPolarHBondContact O-CG 3.49Å; S321-K325 PolarHBondContact O-N 2.94Å; W322-K325 PolarHBondContact O-N 3.05Å; K325-H327 PolarHBondContact O-N 3.49Å; K325-H327 PolarHBondContact O-ND1 3.19Å; K325-H327 VanDerWaalsContact O-ND1 3.09Å
326	D	78.7	Confident	92.4	Very high	43 Å²	43	61.5 Å²	61.5	23%	0.23	30%	0.303	C	S	.	.			trans	-93.6	104.2	-171.7	-165.5	-16.4	0	0	0	111.9	W322 S328 A329	W322-D326 PolarHBondContact O-N 3.34Å; D326-S328 WeakPolarHBondContact OD1-CA 3.5Å; D326-S328 PolarHBondContact OD1-N 2.88Å; D326-S328 PolarHBondContact OD1-OG 2.75Å; D326-A329 PolarHBondContact OD1-N 3.08Å
327	H	77.1	Confident	92.3	Very high	142 Å²	142	64 Å²	64	66%	0.657	31%	0.313	S	S	*	.	S	Bend	trans	-92.4	-6.3	177.5	-62.2	74.9	0	0	0	112.1	R281 R324 K325	R281-H327 PolarHBondContact NH2-O 3.06Å; R324-H327 PolarHBondContact O-CE1 2.8Å; K325-H327 PolarHBondContact O-N 3.49Å; K325-H327 PolarHBondContact O-ND1 3.19Å; K325-H327 VanDerWaalsContact O-ND1 3.09Å
328	S	86.1	Confident	92.1	Very high	96 Å²	96	60.2 Å²	60.2	67%	0.671	30%	0.295	S	S	*	.	S	Bend	trans	-101.6	-16.3	-176	38.1	0	0	0	0	114.5	R281 D326 S330	R281-S328 PolarHBondContact NH1-O 3.47Å; R281-S328 VanDerWaalsContact NH2-C 3.34Å; R281-S328 PolarHBondContact NH2-O 2.73Å; D326-S328 WeakPolarHBondContact OD1-CA 3.5Å; D326-S328 PolarHBondContact OD1-N 2.88Å; D326-S328 PolarHBondContact OD1-OG 2.75Å; S328-S330 PolarHBondContact O-N 2.66Å
329	A	91.6	Very high	91.9	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.017	29%	0.294	C	S	.	.			trans	-47.9	126.6	-176.8	0	0	0	0	0	115.5	R281 W322 D326 D333 Y334	R281-A329 PolarHBondContact NE-O 3.13Å; R281-A329 VanDerWaalsContact NE-O 3.08Å; R281-A329 PolarHBondContact NH1-O 3.21Å; R281-A329 PolarHBondContact NH2-O 3.44Å; W322-A329 HydrophobicContact CH2-CB 3.65Å; W322-A329 HydrophobicContact CZ2-CB 3.51Å; D326-A329 PolarHBondContact OD1-N 3.08Å; A329-D333 HydrophobicContact CB-CB 4.04Å; A329-Y334 HydrophobicContact CB-CE1 3.9Å; A329-Y334 HydrophobicContact CB-CE2 4.37Å; A329-Y334 WeakPolarHBondContact O-CE2 3.4Å
330	S	93.1	Very high	91.8	Very high	38 Å²	38	64.6 Å²	64.6	27%	0.266	31%	0.313	S	S	.	.			trans	-68.2	176	179.5	69.2	0	0	0	0	113.4	S328 E332 D333 Y334	S328-S330 PolarHBondContact O-N 2.66Å; S330-E332 VanDerWaalsContact C-N 3.28Å; S330-D333 VanDerWaalsContact CB-OD2 3.31Å; S330-D333 WeakPolarHBondContact CB-OD2 3.47Å; S330-D333 PolarHBondContact N-OD2 2.79Å; S330-D333 PolarHBondContact OG-N 2.89Å; S330-D333 VanDerWaalsContact OG-N 3.14Å; S330-D333 PolarHBondContact OG-OD2 3.08Å; S330-Y334 WeakPolarHBondContact O-CD2 3.27Å; S330-Y334 PolarHBondContact O-N 2.95Å
331	K	91.7	Very high	91.7	Very high	70 Å²	70	63.7 Å²	63.7	30%	0.304	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-42.7	174.1	-170.3	-161.8	94.2	-133.1	0	109.9	I278 R281 A284 Y334 M335	I278-K331 HydrophobicContact CG2-CD 4.48Å; I278-K331 HydrophobicContact CG2-CG 4.37Å; R281-K331 HydrophobicContact CB-CB 4.31Å; A284-K331 HydrophobicContact CB-CG 3.98Å; K331-Y334 PolarHBondContact O-N 3.28Å; K331-M335 WeakPolarHBondContact O-CG 3.28Å; K331-M335 PolarHBondContact O-N 3.27Å; K331-M335 VanDerWaalsContact O-N 3.16Å
332	E	92.4	Very high	91.6	Very high	95 Å²	95	64.8 Å²	64.8	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-44.8	-179.4	-67.5	63.9	-140.9	0	0	110.4	S330 Y334 M335 D336	S330-E332 VanDerWaalsContact C-N 3.28Å; E332-Y334 VanDerWaalsContact C-N 3.29Å; E332-Y334 PolarHBondContact O-N 2.94Å; E332-M335 PolarHBondContact O-N 3.17Å; E332-D336 PolarHBondContact O-N 2.97Å
333	D	94	Very high	91.4	Very high	73 Å²	73	66.6 Å²	66.6	39%	0.39	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-39.9	176.1	-62.7	-48	0	0	0	112.6	W322 A329 S330 R337	W322-D333 HydrophobicContact CH2-CB 4.43Å; W322-D333 HydrophobicContact CZ2-CB 4.33Å; A329-D333 HydrophobicContact CB-CB 4.04Å; S330-D333 VanDerWaalsContact CB-OD2 3.31Å; S330-D333 WeakPolarHBondContact CB-OD2 3.47Å; S330-D333 PolarHBondContact N-OD2 2.79Å; S330-D333 PolarHBondContact OG-N 2.89Å; S330-D333 VanDerWaalsContact OG-N 3.14Å; S330-D333 PolarHBondContact OG-OD2 3.08Å; D333-R337 WeakPolarHBondContact O-CB 3.32Å; D333-R337 PolarHBondContact O-N 2.82Å; D333-R337 VanDerWaalsContact O-N 3.07Å
334	Y	94.1	Very high	91.5	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-36.7	175.7	-69	-49.6	0	0	0	112.5	R281 A284 K285 L288 W322 L323 A329 S330 K331 E332 L338	R281-Y334 HydrophobicContact CG-CD2 4.1Å; R281-Y334 HydrophobicContact CG-CE2 3.75Å; A284-Y334 HydrophobicContact CB-CD2 4.08Å; A284-Y334 HydrophobicContact CB-CG 4.24Å; K285-Y334 HydrophobicContact CB-CD1 4.29Å; K285-Y334 HydrophobicContact CB-CD2 3.96Å; K285-Y334 HydrophobicContact CB-CE1 4.16Å; K285-Y334 HydrophobicContact CB-CE2 3.76Å; K285-Y334 HydrophobicContact CB-CG 4.24Å; K285-Y334 HydrophobicContact CD-CE1 4.43Å; K285-Y334 HydrophobicContact CD-CE2 4.39Å; K285-Y334 HydrophobicContact CG-CD1 4.45Å; K285-Y334 HydrophobicContact CG-CE1 3.98Å; K285-Y334 HydrophobicContact CG-CE2 4.26Å; L288-Y334 HydrophobicContact CD2-CD1 4.03Å; W322-Y334 AromaticContact CH2-CD1 3.38Å; W322-Y334 HydrophobicContact CH2-CD1 3.38Å; W322-Y334 AromaticContact CH2-CE1 3.42Å; W322-Y334 HydrophobicContact CH2-CE1 3.42Å; W322-Y334 VanDerWaalsContact CH2-CE1 3.42Å; W322-Y334 HydrophobicContact CH2-CG 4.41Å; W322-Y334 AromaticContact CZ3-CD1 3.43Å; W322-Y334 HydrophobicContact CZ3-CD1 3.43Å; W322-Y334 VanDerWaalsContact CZ3-CD1 3.43Å; W322-Y334 AromaticContact CZ3-CE1 3.46Å; W322-Y334 HydrophobicContact CZ3-CE1 3.46Å; W322-Y334 VanDerWaalsContact CZ3-CE1 3.46Å; L323-Y334 HydrophobicContact CD2-CD1 4.13Å; L323-Y334 HydrophobicContact CD2-CE1 3.69Å; A329-Y334 HydrophobicContact CB-CE1 3.9Å; A329-Y334 HydrophobicContact CB-CE2 4.37Å; A329-Y334 WeakPolarHBondContact O-CE2 3.4Å; S330-Y334 WeakPolarHBondContact O-CD2 3.27Å; S330-Y334 PolarHBondContact O-N 2.95Å; K331-Y334 PolarHBondContact O-N 3.28Å; E332-Y334 VanDerWaalsContact C-N 3.29Å; E332-Y334 PolarHBondContact O-N 2.94Å; Y334-L338 WeakPolarHBondContact O-CB 3.14Å; Y334-L338 PolarHBondContact O-N 2.87Å
335	M	92	Very high	91.5	Very high	36 Å²	36	62.3 Å²	62.3	18%	0.177	30%	0.302	C	S	.	.	H	α-helix	trans	-73.2	-43.5	179.5	-67.8	-57.5	-58.9	0	0	111.5	I83 I278 A284 K331 E332 R337 L338 E339	I83-M335 HydrophobicContact CD1-CE 3.36Å; I278-M335 HydrophobicContact CB-SD 4.14Å; I278-M335 HydrophobicContact CG1-SD 3.94Å; I278-M335 HydrophobicContact CG2-SD 4.32Å; A284-M335 HydrophobicContact CB-CG 4.48Å; A284-M335 HydrophobicContact CB-SD 4.26Å; K331-M335 WeakPolarHBondContact O-CG 3.28Å; K331-M335 PolarHBondContact O-N 3.27Å; K331-M335 VanDerWaalsContact O-N 3.16Å; E332-M335 PolarHBondContact O-N 3.17Å; M335-R337 VanDerWaalsContact C-N 3.29Å; M335-R337 PolarHBondContact O-N 2.98Å; M335-L338 HydrophobicContact CE-CD2 4.37Å; M335-L338 WeakPolarHBondContact O-CB 3.38Å; M335-L338 PolarHBondContact O-N 2.84Å; M335-L338 VanDerWaalsContact O-N 3.16Å; M335-L338 HydrophobicContact SD-CD2 4.5Å; M335-E339 PolarHBondContact O-N 3.11Å
336	D	93.1	Very high	91.5	Very high	103 Å²	103	54.8 Å²	54.8	55%	0.551	27%	0.273	S	S	*	.	H	α-helix	trans	-60.9	-41.7	175.8	-70.8	-7.4	0	0	0	110.7	E332 E339 H340	E332-D336 PolarHBondContact O-N 2.97Å; D336-E339 PolarHBondContact O-N 3.46Å; D336-H340 WeakPolarHBondContact O-CB 3.11Å; D336-H340 PolarHBondContact O-N 3.49Å
337	R	95.1	Very high	92.3	Very high	54 Å²	54	56.7 Å²	56.7	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-70	-34.6	176.5	-159.4	169.5	-166.4	116.8	-0.4	112.7	L288 D318 D333 M335 E339 H340 L341	L288-R337 HydrophobicContact CD2-CB 4.18Å; L288-R337 HydrophobicContact CD2-CG 4.45Å; D318-R337 IonicContact OD1-NH2 3.63Å; D318-R337 IonicContact OD2-CZ 3.42Å; D318-R337 IonicContact OD2-NH2 2.64Å; D318-R337 PolarHBondContact OD2-NH2 2.75Å; D333-R337 WeakPolarHBondContact O-CB 3.32Å; D333-R337 PolarHBondContact O-N 2.82Å; D333-R337 VanDerWaalsContact O-N 3.07Å; M335-R337 VanDerWaalsContact C-N 3.29Å; M335-R337 PolarHBondContact O-N 2.98Å; R337-E339 VanDerWaalsContact C-N 3.35Å; R337-H340 PolarHBondContact O-N 3.12Å; R337-L341 VanDerWaalsContact O-CB 3.28Å; R337-L341 WeakPolarHBondContact O-CB 3.47Å; R337-L341 PolarHBondContact O-N 3.2Å
338	L	93.8	Very high	93.2	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-44.2	172	174	61.3	0	0	0	110.9	L275 L287 L288 Y291 Y334 M335 L341 R342	L275-L338 HydrophobicContact CD2-CD2 4.4Å; L287-L338 HydrophobicContact CD2-CD2 3.64Å; L287-L338 HydrophobicContact CG-CD2 3.95Å; L288-L338 HydrophobicContact CD1-CB 3.95Å; L288-L338 HydrophobicContact CD1-CD1 4.27Å; Y291-L338 HydrophobicContact CD1-CD1 4Å; Y291-L338 HydrophobicContact CD2-CD1 4Å; Y291-L338 HydrophobicContact CG-CD1 3.6Å; Y334-L338 WeakPolarHBondContact O-CB 3.14Å; Y334-L338 PolarHBondContact O-N 2.87Å; M335-L338 HydrophobicContact CE-CD2 4.37Å; M335-L338 WeakPolarHBondContact O-CB 3.38Å; M335-L338 PolarHBondContact O-N 2.84Å; M335-L338 VanDerWaalsContact O-N 3.16Å; M335-L338 HydrophobicContact SD-CD2 4.5Å; L338-L341 PolarHBondContact O-N 3.01Å; L338-R342 WeakPolarHBondContact O-CB 3.46Å; L338-R342 PolarHBondContact O-N 2.82Å
339	E	91.9	Very high	93.6	Very high	74 Å²	74	47.8 Å²	47.8	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-43.8	178	-162	-174.7	179.3	0	0	111.4	M335 D336 R337 L341 R342 R343	M335-E339 PolarHBondContact O-N 3.11Å; D336-E339 PolarHBondContact O-N 3.46Å; R337-E339 VanDerWaalsContact C-N 3.35Å; E339-L341 PolarHBondContact O-N 2.88Å; E339-R342 PolarHBondContact O-N 3.11Å; E339-R343 VanDerWaalsContact O-CG 3.29Å; E339-R343 WeakPolarHBondContact O-CG 3.49Å; E339-R343 PolarHBondContact O-N 3.44Å; E339-R343 IonicContact OE1-CZ 2.73Å; E339-R343 IonicContact OE1-NE 3.82Å; E339-R343 PolarHBondContact OE1-NE 3.03Å; E339-R343 IonicContact OE1-NH2 3Å; E339-R343 PolarHBondContact OE1-NH2 3.26Å; E339-R343 IonicContact OE2-CZ 3.25Å; E339-R343 IonicContact OE2-NH2 3.86Å; E339-R343 PolarHBondContact OE2-NH2 2.96Å
340	H	94.7	Very high	93.7	Very high	89 Å²	89	50.1 Å²	50.1	41%	0.412	25%	0.252	S	S	.	.	H	α-helix	trans	-56.4	-49.6	172.9	179.4	78.5	0	0	0	111.6	D336 R337 R342 R343 Q344	D336-H340 WeakPolarHBondContact O-CB 3.11Å; D336-H340 PolarHBondContact O-N 3.49Å; R337-H340 PolarHBondContact O-N 3.12Å; H340-R342 VanDerWaalsContact C-N 3.31Å; H340-R342 PolarHBondContact O-N 3.24Å; H340-R343 PolarHBondContact O-N 3.46Å; H340-Q344 WeakPolarHBondContact O-CG 3.32Å; H340-Q344 PolarHBondContact O-N 3.33Å
341	L	95.4	Very high	93.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-38.7	178.1	-176.3	63.6	0	0	0	111.8	L288 Y291 A292 N315 T319 R337 L338 E339 Q344 C345	L288-L341 HydrophobicContact CD1-CD2 4.08Å; Y291-L341 HydrophobicContact CD1-CD2 3.78Å; Y291-L341 HydrophobicContact CD1-CG 4.12Å; Y291-L341 HydrophobicContact CE1-CD2 4.31Å; Y291-L341 HydrophobicContact CE1-CG 4.14Å; A292-L341 HydrophobicContact CB-CD2 3.71Å; N315-L341 HydrophobicContact CB-CD1 3.82Å; T319-L341 HydrophobicContact CG2-CD2 4.21Å; R337-L341 VanDerWaalsContact O-CB 3.28Å; R337-L341 WeakPolarHBondContact O-CB 3.47Å; R337-L341 PolarHBondContact O-N 3.2Å; L338-L341 PolarHBondContact O-N 3.01Å; E339-L341 PolarHBondContact O-N 2.88Å; L341-Q344 PolarHBondContact O-N 2.99Å; L341-C345 VanDerWaalsContact CD1-SG 3.53Å; L341-C345 VanDerWaalsContact O-CB 3.3Å; L341-C345 WeakPolarHBondContact O-CB 3.47Å; L341-C345 PolarHBondContact O-N 3.09Å
342	R	93.4	Very high	94	Very high	53 Å²	53	48.9 Å²	48.9	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-41.6	175.5	-177.6	175.4	174	148	2	111.6	L338 E339 H340 G346	L338-R342 WeakPolarHBondContact O-CB 3.46Å; L338-R342 PolarHBondContact O-N 2.82Å; E339-R342 PolarHBondContact O-N 3.11Å; H340-R342 VanDerWaalsContact C-N 3.31Å; H340-R342 PolarHBondContact O-N 3.24Å; R342-G346 WeakPolarHBondContact O-CA 3.22Å; R342-G346 PolarHBondContact O-N 2.9Å
343	R	93.4	Very high	94.2	Very high	80 Å²	80	44.3 Å²	44.3	30%	0.302	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-43	176.2	-69.1	167.6	-176.1	176.6	10.6	111.6	T92 E339 H340 P347	T92-R343 HydrophobicContact CG2-CB 4.45Å; T92-R343 HydrophobicContact CG2-CG 3.71Å; E339-R343 VanDerWaalsContact O-CG 3.29Å; E339-R343 WeakPolarHBondContact O-CG 3.49Å; E339-R343 PolarHBondContact O-N 3.44Å; E339-R343 IonicContact OE1-CZ 2.73Å; E339-R343 IonicContact OE1-NE 3.82Å; E339-R343 PolarHBondContact OE1-NE 3.03Å; E339-R343 IonicContact OE1-NH2 3Å; E339-R343 PolarHBondContact OE1-NH2 3.26Å; E339-R343 IonicContact OE2-CZ 3.25Å; E339-R343 IonicContact OE2-NH2 3.86Å; E339-R343 PolarHBondContact OE2-NH2 2.96Å; H340-R343 PolarHBondContact O-N 3.46Å; R343-P347 WeakPolarHBondContact O-CD 3.43Å
344	Q	95.4	Very high	94.3	Very high	82 Å²	82	45.4 Å²	45.4	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-73.7	-43.9	-179.3	-65	-59.6	-40.8	0	0	112.9	H340 L341 H348	H340-Q344 WeakPolarHBondContact O-CG 3.32Å; H340-Q344 PolarHBondContact O-N 3.33Å; L341-Q344 PolarHBondContact O-N 2.99Å; Q344-H348 PolarHBondContact O-CD2 2.84Å; Q344-H348 VanDerWaalsContact O-CD2 3.31Å
345	C	94.1	Very high	94.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-90.9	-24	-176.2	-63.7	0	0	0	0	114	V312 L341 H348 V349	V312-C345 HydrophobicContact CG2-CB 4.24Å; L341-C345 VanDerWaalsContact CD1-SG 3.53Å; L341-C345 VanDerWaalsContact O-CB 3.3Å; L341-C345 WeakPolarHBondContact O-CB 3.47Å; L341-C345 PolarHBondContact O-N 3.09Å; C345-H348 PolarHBondContact O-N 2.88Å; C345-H348 VanDerWaalsContact O-N 3.15Å; C345-V349 HydrophobicContact CB-CG2 4.32Å; C345-V349 WeakPolarHBondContact O-CG2 3.39Å; C345-V349 PolarHBondContact O-N 3Å
346	G	90.6	Very high	94.8	Very high	14 Å²	14	51.2 Å²	51.2	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-53.9	-51.7	-171.1	0	0	0	0	0	114.3	R342 H348 V349 S350	R342-G346 WeakPolarHBondContact O-CA 3.22Å; R342-G346 PolarHBondContact O-N 2.9Å; G346-H348 VanDerWaalsContact C-N 3.31Å; G346-H348 PolarHBondContact O-N 2.73Å; G346-V349 PolarHBondContact O-N 3.23Å; G346-S350 VanDerWaalsContact O-CB 3.3Å; G346-S350 WeakPolarHBondContact O-CB 3.03Å; G346-S350 PolarHBondContact O-N 2.89Å; G346-S350 PolarHBondContact O-OG 2.84Å
347	P	94.7	Very high	95	Very high	83 Å²	83	46.3 Å²	46.3	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-40.1	177.9	-26.2	35.5	0	0	0	113.1	R343 A351	R343-P347 WeakPolarHBondContact O-CD 3.43Å; P347-A351 VanDerWaalsContact O-CB 3.32Å; P347-A351 WeakPolarHBondContact O-CB 3.29Å; P347-A351 PolarHBondContact O-N 2.66Å
348	H	96.3	Very high	95.2	Very high	48 Å²	48	46.8 Å²	46.8	22%	0.222	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-40.4	-179.8	-60.2	-66.5	0	0	0	112.6	S308 V312 Q344 C345 G346 A352	S308-H348 VanDerWaalsContact CB-ND1 3.31Å; S308-H348 WeakPolarHBondContact CB-ND1 3.08Å; S308-H348 PolarHBondContact OG-ND1 3.49Å; V312-H348 HydrophobicContact CG2-CB 3.58Å; Q344-H348 PolarHBondContact O-CD2 2.84Å; Q344-H348 VanDerWaalsContact O-CD2 3.31Å; C345-H348 PolarHBondContact O-N 2.88Å; C345-H348 VanDerWaalsContact O-N 3.15Å; G346-H348 VanDerWaalsContact C-N 3.31Å; G346-H348 PolarHBondContact O-N 2.73Å; H348-A352 WeakPolarHBondContact O-CB 3.13Å; H348-A352 PolarHBondContact O-N 3.41Å; H348-A352 VanDerWaalsContact O-N 3.09Å
349	V	94.6	Very high	95.4	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-44.2	175.6	169.9	0	0	0	0	110.5	I271 P272 A295 L298 C345 G346 A351 A352 A353	I271-V349 HydrophobicContact CG2-CG1 3.82Å; P272-V349 HydrophobicContact CB-CG1 4.26Å; P272-V349 HydrophobicContact CG-CG1 4.37Å; A295-V349 HydrophobicContact CB-CG2 4.11Å; L298-V349 HydrophobicContact CD1-CG1 4.03Å; L298-V349 HydrophobicContact CD2-CG1 4.17Å; C345-V349 HydrophobicContact CB-CG2 4.32Å; C345-V349 WeakPolarHBondContact O-CG2 3.39Å; C345-V349 PolarHBondContact O-N 3Å; G346-V349 PolarHBondContact O-N 3.23Å; V349-A351 PolarHBondContact O-N 3.23Å; V349-A352 PolarHBondContact O-N 3.2Å; V349-A353 WeakPolarHBondContact O-CB 3.31Å; V349-A353 PolarHBondContact O-N 3.06Å
350	S	94.2	Very high	95.7	Very high	51 Å²	51	44 Å²	44	36%	0.357	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-44	178	-55.9	0	0	0	0	111.4	G346 A352 A353 K354	G346-S350 VanDerWaalsContact O-CB 3.3Å; G346-S350 WeakPolarHBondContact O-CB 3.03Å; G346-S350 PolarHBondContact O-N 2.89Å; G346-S350 PolarHBondContact O-OG 2.84Å; S350-A352 PolarHBondContact O-N 3.39Å; S350-A353 PolarHBondContact O-N 3.08Å; S350-K354 PolarHBondContact O-N 3.26Å
351	A	95.6	Very high	95.9	Very high	65 Å²	65	39.8 Å²	39.8	54%	0.537	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-42.3	176	0	0	0	0	0	112.2	P347 V349 A353	P347-A351 VanDerWaalsContact O-CB 3.32Å; P347-A351 WeakPolarHBondContact O-CB 3.29Å; P347-A351 PolarHBondContact O-N 2.66Å; V349-A351 PolarHBondContact O-N 3.23Å; A351-A353 VanDerWaalsContact C-N 3.32Å; A351-A353 PolarHBondContact O-N 3.16Å
352	A	96.1	Very high	96.1	Very high	17 Å²	17	41.3 Å²	41.3	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-70.2	-26.6	178.4	0	0	0	0	0	113.4	L298 I299 R302 A304 H348 V349 S350	L298-A352 HydrophobicContact CD2-CB 3.71Å; I299-A352 HydrophobicContact CD1-CB 3.89Å; R302-A352 HydrophobicContact CB-CB 4.47Å; R302-A352 WeakPolarHBondContact CD-O 3.13Å; A304-A352 HydrophobicContact CB-CB 4.46Å; H348-A352 WeakPolarHBondContact O-CB 3.13Å; H348-A352 PolarHBondContact O-N 3.41Å; H348-A352 VanDerWaalsContact O-N 3.09Å; V349-A352 PolarHBondContact O-N 3.2Å; S350-A352 PolarHBondContact O-N 3.39Å
353	A	96.3	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-91.7	-15.6	-179.9	0	0	0	0	0	114.6	M268 I271 L298 R302 V349 S350 A351 D355 S356 V357	M268-A353 HydrophobicContact CE-CB 4.15Å; M268-A353 HydrophobicContact SD-CB 4.33Å; I271-A353 HydrophobicContact CD1-CB 4.09Å; I271-A353 HydrophobicContact CG2-CB 4Å; L298-A353 HydrophobicContact CD1-CB 4.47Å; R302-A353 VanDerWaalsContact NH1-CA 3.27Å; V349-A353 WeakPolarHBondContact O-CB 3.31Å; V349-A353 PolarHBondContact O-N 3.06Å; S350-A353 PolarHBondContact O-N 3.08Å; A351-A353 VanDerWaalsContact C-N 3.32Å; A351-A353 PolarHBondContact O-N 3.16Å; A353-D355 PolarHBondContact O-N 3.4Å; A353-S356 PolarHBondContact O-N 2.94Å; A353-S356 VanDerWaalsContact O-N 3.17Å; A353-V357 WeakPolarHBondContact O-CG2 3.37Å; A353-V357 PolarHBondContact O-N 3.46Å; A353-V357 VanDerWaalsContact O-N 3.12Å
354	K	96.6	Very high	96.6	Very high	96 Å²	96	40 Å²	40	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-47.4	-60.1	-170.5	-176	175.5	174.6	179.9	0	113.7	F264 M268 S350 S356 V357 E358	F264-K354 HydrophobicContact CE2-CG 4.25Å; F264-K354 HydrophobicContact CZ-CG 4.15Å; M268-K354 HydrophobicContact CE-CB 4.19Å; S350-K354 PolarHBondContact O-N 3.26Å; K354-S356 PolarHBondContact O-N 3.14Å; K354-V357 PolarHBondContact O-N 2.77Å; K354-V357 VanDerWaalsContact O-N 3.15Å; K354-E358 WeakPolarHBondContact CE-OE1 3.2Å; K354-E358 HydrophobicContact CG-CG 4.39Å; K354-E358 IonicContact NZ-OE1 3.77Å; K354-E358 WeakPolarHBondContact O-CG 3.23Å; K354-E358 PolarHBondContact O-N 3.33Å
355	D	97.1	Very high	96.7	Very high	129 Å²	129	36.6 Å²	36.6	69%	0.69	22%	0.215	S	C	*	.	H	α-helix	trans	-61.5	-34.9	-173.7	-59.8	-10.2	0	0	0	112.3	A353 G359	A353-D355 PolarHBondContact O-N 3.4Å; D355-G359 PolarHBondContact O-N 3.2Å
356	S	97.9	Very high	97	Very high	29 Å²	29	41 Å²	41	20%	0.203	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-45	178.5	-179.7	0	0	0	0	111.5	E224 A353 K354 G359 I360	E224-S356 WeakPolarHBondContact OE1-CB 3.33Å; E224-S356 PolarHBondContact OE1-OG 3.41Å; A353-S356 PolarHBondContact O-N 2.94Å; A353-S356 VanDerWaalsContact O-N 3.17Å; K354-S356 PolarHBondContact O-N 3.14Å; S356-G359 CarbonylContact O-C 3.58Å; S356-G359 WeakPolarHBondContact O-CA 3.23Å; S356-G359 PolarHBondContact O-N 3.39Å; S356-I360 WeakPolarHBondContact O-CG1 3.45Å; S356-I360 PolarHBondContact O-N 2.97Å
357	V	98.2	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-42.4	178.3	179.8	0	0	0	0	111.6	E224 F264 I267 M268 I271 A353 K354 G359 I360 C361	E224-V357 HydrophobicContact CG-CG2 4.31Å; F264-V357 HydrophobicContact CD2-CB 4.12Å; F264-V357 HydrophobicContact CD2-CG1 3.57Å; F264-V357 HydrophobicContact CE2-CB 4.05Å; F264-V357 HydrophobicContact CE2-CG1 3.96Å; F264-V357 HydrophobicContact CG-CG1 4.26Å; I267-V357 HydrophobicContact CB-CG1 3.8Å; I267-V357 HydrophobicContact CD1-CG1 4.22Å; I267-V357 HydrophobicContact CG2-CB 4.35Å; I267-V357 HydrophobicContact CG2-CG1 3.63Å; I267-V357 HydrophobicContact CG2-CG2 3.81Å; M268-V357 HydrophobicContact CE-CB 3.88Å; M268-V357 HydrophobicContact CE-CG1 4.42Å; M268-V357 HydrophobicContact CE-CG2 3.72Å; M268-V357 HydrophobicContact CG-CG1 4.41Å; M268-V357 HydrophobicContact SD-CG2 4.12Å; I271-V357 HydrophobicContact CD1-CG2 3.39Å; A353-V357 WeakPolarHBondContact O-CG2 3.37Å; A353-V357 PolarHBondContact O-N 3.46Å; A353-V357 VanDerWaalsContact O-N 3.12Å; K354-V357 PolarHBondContact O-N 2.77Å; K354-V357 VanDerWaalsContact O-N 3.15Å; V357-G359 PolarHBondContact O-N 3.19Å; V357-I360 WeakPolarHBondContact O-CB 3.37Å; V357-I360 PolarHBondContact O-N 2.92Å; V357-I360 VanDerWaalsContact O-N 3.09Å; V357-C361 PolarHBondContact O-N 3.23Å; V357-C361 PolarHBondContact O-SG 3.47Å
358	E	98.4	Very high	97.6	Very high	65 Å²	65	37.2 Å²	37.2	30%	0.304	21%	0.207	S	C	.	.	H	α-helix	trans	-57.7	-40.1	170.9	-69.8	-173.5	179.8	0	0	110.8	V259 F264 K354 I360 C361 S362	V259-E358 HydrophobicContact CG1-CG 4.26Å; V259-E358 HydrophobicContact CG2-CB 4.2Å; V259-E358 HydrophobicContact CG2-CG 4.49Å; F264-E358 HydrophobicContact CD2-CG 3.91Å; F264-E358 HydrophobicContact CE2-CG 3.67Å; K354-E358 WeakPolarHBondContact CE-OE1 3.2Å; K354-E358 HydrophobicContact CG-CG 4.39Å; K354-E358 IonicContact NZ-OE1 3.77Å; K354-E358 WeakPolarHBondContact O-CG 3.23Å; K354-E358 PolarHBondContact O-N 3.33Å; E358-I360 PolarHBondContact O-N 2.74Å; E358-C361 PolarHBondContact O-N 3.09Å; E358-S362 VanDerWaalsContact O-CB 3.3Å; E358-S362 WeakPolarHBondContact O-CB 3.44Å; E358-S362 PolarHBondContact O-N 3.5Å
359	G	98.6	Very high	97.7	Very high	20 Å²	20	37 Å²	37	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-36	174	0	0	0	0	0	114.1	D355 S356 V357 K363	D355-G359 PolarHBondContact O-N 3.2Å; S356-G359 CarbonylContact O-C 3.58Å; S356-G359 WeakPolarHBondContact O-CA 3.23Å; S356-G359 PolarHBondContact O-N 3.39Å; V357-G359 PolarHBondContact O-N 3.19Å; G359-K363 WeakPolarHBondContact O-CB 3.47Å; G359-K363 PolarHBondContact O-N 3.32Å
360	I	98.7	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-52.4	172.9	-63.6	170.5	0	0	0	109.6	Y216 L219 R223 E224 I267 S356 V357 E358 S362 K363 I364	Y216-I360 HydrophobicContact CD2-CG2 4.13Å; Y216-I360 HydrophobicContact CE2-CG2 4.07Å; L219-I360 HydrophobicContact CB-CG1 4.27Å; L219-I360 HydrophobicContact CB-CG2 4.04Å; R223-I360 HydrophobicContact CB-CD1 4.18Å; R223-I360 HydrophobicContact CB-CG1 4.41Å; E224-I360 HydrophobicContact CG-CD1 3.91Å; I267-I360 HydrophobicContact CD1-CB 4.48Å; I267-I360 HydrophobicContact CD1-CG2 4.02Å; S356-I360 WeakPolarHBondContact O-CG1 3.45Å; S356-I360 PolarHBondContact O-N 2.97Å; V357-I360 WeakPolarHBondContact O-CB 3.37Å; V357-I360 PolarHBondContact O-N 2.92Å; V357-I360 VanDerWaalsContact O-N 3.09Å; E358-I360 PolarHBondContact O-N 2.74Å; I360-S362 PolarHBondContact O-N 3.09Å; I360-K363 PolarHBondContact O-N 3.37Å; I360-I364 PolarHBondContact O-N 3.45Å
361	C	98.7	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-49.2	-177.7	-61	0	0	0	0	111.3	V259 M263 V357 E358 I364 Y365	V259-C361 HydrophobicContact CB-CB 4.49Å; V259-C361 HydrophobicContact CG1-CB 3.89Å; M263-C361 HydrophobicContact SD-CB 4.28Å; V357-C361 PolarHBondContact O-N 3.23Å; V357-C361 PolarHBondContact O-SG 3.47Å; E358-C361 PolarHBondContact O-N 3.09Å; C361-I364 PolarHBondContact O-N 3.01Å; C361-Y365 PolarHBondContact O-N 3.47Å; C361-Y365 VanDerWaalsContact O-N 3.09Å
362	S	98.7	Very high	98.2	Very high	34 Å²	34	37 Å²	37	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-44.4	177.9	179.6	0	0	0	0	111.6	E358 I360 I364 Y365 H366	E358-S362 VanDerWaalsContact O-CB 3.3Å; E358-S362 WeakPolarHBondContact O-CB 3.44Å; E358-S362 PolarHBondContact O-N 3.5Å; I360-S362 PolarHBondContact O-N 3.09Å; S362-I364 PolarHBondContact O-N 3.34Å; S362-Y365 PolarHBondContact O-N 2.99Å; S362-H366 PolarHBondContact O-N 2.55Å; S362-H366 PolarHBondContact O-ND1 2.94Å; S362-H366 PolarHBondContact OG-CE1 3.17Å; S362-H366 VanDerWaalsContact OG-CE1 3.31Å; S362-H366 PolarHBondContact OG-ND1 3.16Å
363	K	98.8	Very high	98.3	Very high	104 Å²	104	41.9 Å²	41.9	45%	0.452	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-41.9	-179.4	-175.3	58.9	173.8	176.2	0	112	L219 G359 I360 H366 I367	L219-K363 HydrophobicContact CD1-CB 4.02Å; L219-K363 HydrophobicContact CD1-CG 3.83Å; L219-K363 HydrophobicContact CD2-CG 4.45Å; G359-K363 WeakPolarHBondContact O-CB 3.47Å; G359-K363 PolarHBondContact O-N 3.32Å; I360-K363 PolarHBondContact O-N 3.37Å; K363-H366 PolarHBondContact O-N 2.93Å; K363-I367 HydrophobicContact CD-CD1 4.28Å; K363-I367 HydrophobicContact CD-CG1 4.39Å; K363-I367 HydrophobicContact CG-CD1 4.01Å; K363-I367 VanDerWaalsContact O-CG1 3.27Å; K363-I367 WeakPolarHBondContact O-CG1 3.41Å; K363-I367 PolarHBondContact O-N 2.72Å
364	I	98.8	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-43.6	176.5	-71.5	-61.4	0	0	0	111.9	L212 H215 Y216 L219 W236 M263 I360 C361 S362 H366 I367 S368	L212-I364 HydrophobicContact CD1-CD1 4.14Å; L212-I364 HydrophobicContact CD1-CG2 4.19Å; L212-I364 HydrophobicContact CG-CG2 4.49Å; H215-I364 HydrophobicContact CB-CD1 4.12Å; Y216-I364 HydrophobicContact CD2-CD1 4.47Å; Y216-I364 HydrophobicContact CD2-CG1 4.01Å; Y216-I364 HydrophobicContact CG-CG1 4.48Å; L219-I364 HydrophobicContact CD1-CD1 3.76Å; L219-I364 HydrophobicContact CD1-CG1 3.86Å; W236-I364 HydrophobicContact CH2-CG2 3.9Å; W236-I364 HydrophobicContact CZ2-CG2 3.82Å; W236-I364 HydrophobicContact CZ3-CG2 4.33Å; M263-I364 HydrophobicContact CE-CG2 4.09Å; I360-I364 PolarHBondContact O-N 3.45Å; C361-I364 PolarHBondContact O-N 3.01Å; S362-I364 PolarHBondContact O-N 3.34Å; I364-H366 PolarHBondContact O-N 2.99Å; I364-I367 PolarHBondContact O-N 3.45Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 2.96Å
365	Y	98.8	Very high	98.5	Very high	12 Å²	12	42 Å²	42	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-46.3	173.8	171.1	-98.5	0	0	0	112.5	S253 N254 C255 V258 C361 S362 I367 S368 L369	S253-Y365 PolarHBondContact O-OH 3.16Å; N254-Y365 WeakPolarHBondContact CA-OH 3.33Å; N254-Y365 PolarHBondContact N-OH 3.41Å; C255-Y365 HydrophobicContact CB-CD2 4.4Å; C255-Y365 HydrophobicContact CB-CE2 3.68Å; C255-Y365 PolarHBondContact N-OH 3.3Å; V258-Y365 HydrophobicContact CB-CD1 4.41Å; V258-Y365 HydrophobicContact CG1-CD1 3.62Å; V258-Y365 HydrophobicContact CG1-CE1 4.15Å; V258-Y365 HydrophobicContact CG1-CG 4.24Å; V258-Y365 HydrophobicContact CG2-CD1 4.37Å; V258-Y365 HydrophobicContact CG2-CE1 4.05Å; C361-Y365 PolarHBondContact O-N 3.47Å; C361-Y365 VanDerWaalsContact O-N 3.09Å; S362-Y365 PolarHBondContact O-N 2.99Å; Y365-I367 PolarHBondContact O-N 3.35Å; Y365-S368 VanDerWaalsContact O-CB 3.28Å; Y365-S368 WeakPolarHBondContact O-CB 3.5Å; Y365-S368 PolarHBondContact O-N 3.38Å; Y365-L369 HydrophobicContact CE1-CD1 4.36Å; Y365-L369 PolarHBondContact O-N 3.33Å
366	H	98.8	Very high	98.6	Very high	93 Å²	93	38.6 Å²	38.6	43%	0.431	18%	0.184	S	C	.	.	H	α-helix	trans	-68.3	-34.2	-179.5	-72.5	93.5	0	0	0	113.4	S362 K363 I364 L369 E370	S362-H366 PolarHBondContact O-N 2.55Å; S362-H366 PolarHBondContact O-ND1 2.94Å; S362-H366 PolarHBondContact OG-CE1 3.17Å; S362-H366 VanDerWaalsContact OG-CE1 3.31Å; S362-H366 PolarHBondContact OG-ND1 3.16Å; K363-H366 PolarHBondContact O-N 2.93Å; I364-H366 PolarHBondContact O-N 2.99Å; H366-L369 PolarHBondContact O-N 3.26Å; H366-E370 PolarHBondContact O-N 3.04Å; H366-E370 VanDerWaalsContact O-N 3.14Å
367	I	98.8	Very high	98.6	Very high	16 Å²	16	43.4 Å²	43.4	8%	0.082	20%	0.203	C	C	.	.	H	α-helix	trans	-66	-41.8	172.1	-63.2	165	0	0	0	109.8	L212 H215 K363 I364 Y365 L369 E370 Y371	L212-I367 HydrophobicContact CD1-CB 3.82Å; L212-I367 HydrophobicContact CD1-CG2 3.61Å; H215-I367 HydrophobicContact CB-CD1 4.2Å; K363-I367 HydrophobicContact CD-CD1 4.28Å; K363-I367 HydrophobicContact CD-CG1 4.39Å; K363-I367 HydrophobicContact CG-CD1 4.01Å; K363-I367 VanDerWaalsContact O-CG1 3.27Å; K363-I367 WeakPolarHBondContact O-CG1 3.41Å; K363-I367 PolarHBondContact O-N 2.72Å; I364-I367 PolarHBondContact O-N 3.45Å; Y365-I367 PolarHBondContact O-N 3.35Å; I367-L369 VanDerWaalsContact C-N 3.31Å; I367-L369 PolarHBondContact O-N 3.35Å; I367-E370 WeakPolarHBondContact O-CB 3.36Å; I367-E370 PolarHBondContact O-N 3.41Å; I367-Y371 HydrophobicContact CG2-CD1 4.25Å; I367-Y371 HydrophobicContact CG2-CD2 4.19Å; I367-Y371 HydrophobicContact CG2-CE1 3.76Å; I367-Y371 HydrophobicContact CG2-CE2 3.72Å; I367-Y371 HydrophobicContact CG2-CG 4.45Å; I367-Y371 VanDerWaalsContact CG2-CZ 3.48Å; I367-Y371 PolarHBondContact O-N 3.34Å
368	S	98.8	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.3	-45.7	173.7	-176	0	0	0	0	111.7	P252 I364 Y365 E370 Y371 V372	P252-S368 VanDerWaalsContact CD-OG 3.3Å; P252-S368 WeakPolarHBondContact CD-OG 3.29Å; P252-S368 PolarHBondContact O-OG 3.36Å; I364-S368 WeakPolarHBondContact O-CB 3.38Å; I364-S368 PolarHBondContact O-N 2.96Å; Y365-S368 VanDerWaalsContact O-CB 3.28Å; Y365-S368 WeakPolarHBondContact O-CB 3.5Å; Y365-S368 PolarHBondContact O-N 3.38Å; S368-E370 VanDerWaalsContact C-N 3.35Å; S368-E370 PolarHBondContact O-N 3.49Å; S368-Y371 PolarHBondContact O-N 3.22Å; S368-Y371 VanDerWaalsContact O-N 3.12Å; S368-V372 WeakPolarHBondContact O-CG2 3.49Å; S368-V372 PolarHBondContact O-N 2.72Å
369	L	98.4	Very high	98.6	Very high	43 Å²	43	44.3 Å²	44.3	23%	0.225	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-44.1	176.9	-173.7	160.6	0	0	0	112	S253 Y365 H366 I367 Y371 V372 K373	S253-L369 WeakPolarHBondContact O-CD1 3.45Å; Y365-L369 HydrophobicContact CE1-CD1 4.36Å; Y365-L369 PolarHBondContact O-N 3.33Å; H366-L369 PolarHBondContact O-N 3.26Å; I367-L369 VanDerWaalsContact C-N 3.31Å; I367-L369 PolarHBondContact O-N 3.35Å; L369-Y371 VanDerWaalsContact C-N 3.35Å; L369-V372 PolarHBondContact O-N 3.11Å; L369-K373 HydrophobicContact CD2-CD 4.08Å; L369-K373 VanDerWaalsContact CD2-CE 3.46Å; L369-K373 WeakPolarHBondContact O-CG 3.18Å; L369-K373 PolarHBondContact O-N 3.18Å
370	E	98.6	Very high	98.6	Very high	98 Å²	98	45.9 Å²	45.9	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-43.5	174.6	-169.3	-153.9	132	0	0	111.7	H366 I367 S368 K373 R374	H366-E370 PolarHBondContact O-N 3.04Å; H366-E370 VanDerWaalsContact O-N 3.14Å; I367-E370 WeakPolarHBondContact O-CB 3.36Å; I367-E370 PolarHBondContact O-N 3.41Å; S368-E370 VanDerWaalsContact C-N 3.35Å; S368-E370 PolarHBondContact O-N 3.49Å; E370-K373 WeakPolarHBondContact O-CB 3.49Å; E370-K373 PolarHBondContact O-N 2.92Å; E370-R374 WeakPolarHBondContact O-CG 3.17Å; E370-R374 PolarHBondContact O-N 3.21Å; E370-R374 VanDerWaalsContact O-N 3.16Å; E370-R374 IonicContact OE1-NH1 2.8Å
371	Y	98.8	Very high	98.6	Very high	11 Å²	11	47.6 Å²	47.6	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-39	-179.4	-71	1.5	0	0	0	112	L208 K211 L212 H215 I367 S368 L369 K373 R374 I375	L208-Y371 HydrophobicContact CB-CD2 3.72Å; L208-Y371 HydrophobicContact CB-CE2 4.23Å; L208-Y371 HydrophobicContact CB-CG 4.06Å; L208-Y371 HydrophobicContact CD1-CG 4.32Å; L208-Y371 HydrophobicContact CD2-CD1 3.92Å; L208-Y371 HydrophobicContact CD2-CD2 4.09Å; L208-Y371 HydrophobicContact CD2-CE1 4.05Å; L208-Y371 HydrophobicContact CD2-CE2 4.18Å; L208-Y371 HydrophobicContact CD2-CG 3.94Å; L208-Y371 HydrophobicContact CG-CD2 4.38Å; L208-Y371 HydrophobicContact CG-CG 4.32Å; L208-Y371 WeakPolarHBondContact O-CD2 3.37Å; L208-Y371 VanDerWaalsContact O-CE2 3.22Å; L208-Y371 WeakPolarHBondContact O-CE2 3.49Å; K211-Y371 HydrophobicContact CB-CE2 4.09Å; L212-Y371 HydrophobicContact CB-CD2 4.24Å; L212-Y371 HydrophobicContact CB-CE2 4.01Å; L212-Y371 HydrophobicContact CD1-CE2 4.45Å; H215-Y371 PolarHBondContact CD2-OH 2.93Å; H215-Y371 PolarHBondContact NE2-OH 3.43Å; I367-Y371 HydrophobicContact CG2-CD1 4.25Å; I367-Y371 HydrophobicContact CG2-CD2 4.19Å; I367-Y371 HydrophobicContact CG2-CE1 3.76Å; I367-Y371 HydrophobicContact CG2-CE2 3.72Å; I367-Y371 HydrophobicContact CG2-CG 4.45Å; I367-Y371 VanDerWaalsContact CG2-CZ 3.48Å; I367-Y371 PolarHBondContact O-N 3.34Å; S368-Y371 PolarHBondContact O-N 3.22Å; S368-Y371 VanDerWaalsContact O-N 3.12Å; L369-Y371 VanDerWaalsContact C-N 3.35Å; Y371-K373 VanDerWaalsContact C-N 3.33Å; Y371-K373 PolarHBondContact O-N 3.5Å; Y371-R374 PolarHBondContact O-N 3.2Å; Y371-I375 VanDerWaalsContact O-CG1 3.25Å; Y371-I375 WeakPolarHBondContact O-CG1 3.19Å; Y371-I375 PolarHBondContact O-N 3.32Å
372	V	98.8	Very high	98.5	Very high	9 Å²	9	48 Å²	48	6%	0.055	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-43.2	173.9	166	0	0	0	0	111.4	D248 L251 S368 L369 R374 I375 R376	D248-V372 HydrophobicContact CB-CB 4.35Å; D248-V372 HydrophobicContact CB-CG1 3.83Å; D248-V372 HydrophobicContact CB-CG2 3.7Å; L251-V372 HydrophobicContact CB-CG2 3.49Å; L251-V372 VanDerWaalsContact CB-CG2 3.49Å; L251-V372 HydrophobicContact CD1-CG2 4.41Å; S368-V372 WeakPolarHBondContact O-CG2 3.49Å; S368-V372 PolarHBondContact O-N 2.72Å; L369-V372 PolarHBondContact O-N 3.11Å; V372-R374 PolarHBondContact O-N 3.02Å; V372-I375 PolarHBondContact O-N 2.93Å; V372-R376 WeakPolarHBondContact O-CB 3.19Å; V372-R376 PolarHBondContact O-N 2.8Å
373	K	98.4	Very high	98.5	Very high	121 Å²	121	46.4 Å²	46.4	53%	0.526	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-48.2	175.5	-70.9	176	176.1	178.1	0	111.7	L369 E370 Y371 I375 R376 E377	L369-K373 HydrophobicContact CD2-CD 4.08Å; L369-K373 VanDerWaalsContact CD2-CE 3.46Å; L369-K373 WeakPolarHBondContact O-CG 3.18Å; L369-K373 PolarHBondContact O-N 3.18Å; E370-K373 WeakPolarHBondContact O-CB 3.49Å; E370-K373 PolarHBondContact O-N 2.92Å; Y371-K373 VanDerWaalsContact C-N 3.33Å; Y371-K373 PolarHBondContact O-N 3.5Å; K373-I375 VanDerWaalsContact C-N 3.34Å; K373-I375 PolarHBondContact O-N 2.87Å; K373-R376 PolarHBondContact O-N 3.4Å; K373-E377 WeakPolarHBondContact O-CG 3.34Å; K373-E377 PolarHBondContact O-N 3.35Å
374	R	98.7	Very high	98.4	Very high	97 Å²	97	49.6 Å²	49.6	37%	0.366	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-39.6	179	-67.7	167.7	59	172.8	1.6	112.8	E370 Y371 V372 K378	E370-R374 WeakPolarHBondContact O-CG 3.17Å; E370-R374 PolarHBondContact O-N 3.21Å; E370-R374 VanDerWaalsContact O-N 3.16Å; E370-R374 IonicContact OE1-NH1 2.8Å; Y371-R374 PolarHBondContact O-N 3.2Å; V372-R374 PolarHBondContact O-N 3.02Å; R374-K378 WeakPolarHBondContact O-CB 3.26Å; R374-K378 PolarHBondContact O-N 2.72Å; R374-K378 VanDerWaalsContact O-N 3.11Å
375	I	98.8	Very high	98.3	Very high	1 Å²	1	56 Å²	56	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-47.3	175.1	-68.5	163.9	0	0	0	109.8	V201 L204 R205 L208 L251 Y371 V372 K373 K378 H379	V201-I375 HydrophobicContact CG1-CG2 3.82Å; L204-I375 HydrophobicContact CD2-CG1 4.49Å; L204-I375 HydrophobicContact CG-CG1 4.44Å; R205-I375 HydrophobicContact CB-CD1 3.98Å; R205-I375 HydrophobicContact CB-CG1 4.47Å; R205-I375 HydrophobicContact CG-CD1 3.93Å; R205-I375 VanDerWaalsContact NH2-CG2 3.32Å; L208-I375 HydrophobicContact CD1-CD1 3.94Å; L208-I375 HydrophobicContact CD1-CG1 3.6Å; L251-I375 HydrophobicContact CD1-CD1 4.08Å; Y371-I375 VanDerWaalsContact O-CG1 3.25Å; Y371-I375 WeakPolarHBondContact O-CG1 3.19Å; Y371-I375 PolarHBondContact O-N 3.32Å; V372-I375 PolarHBondContact O-N 2.93Å; K373-I375 VanDerWaalsContact C-N 3.34Å; K373-I375 PolarHBondContact O-N 2.87Å; I375-K378 PolarHBondContact O-N 3.24Å; I375-H379 WeakPolarHBondContact O-CB 3.5Å; I375-H379 PolarHBondContact O-N 3.21Å
376	R	98.2	Very high	98.2	Very high	57 Å²	57	58.2 Å²	58.2	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-48.4	179	-173.3	68.4	176.7	-160.3	7	111.3	V372 K373 K378 H379 L380 E390	V372-R376 WeakPolarHBondContact O-CB 3.19Å; V372-R376 PolarHBondContact O-N 2.8Å; K373-R376 PolarHBondContact O-N 3.4Å; R376-K378 VanDerWaalsContact C-N 3.34Å; R376-K378 PolarHBondContact O-N 2.9Å; R376-H379 WeakPolarHBondContact O-CB 3.47Å; R376-H379 PolarHBondContact O-N 3.11Å; R376-H379 VanDerWaalsContact O-N 3.1Å; R376-L380 HydrophobicContact CG-CD1 4.05Å; R376-L380 HydrophobicContact CG-CG 4.31Å; R376-L380 WeakPolarHBondContact O-CG 3.31Å; R376-L380 PolarHBondContact O-N 2.99Å; R376-E390 IonicContact CZ-OE1 3.63Å; R376-E390 IonicContact NE-OE1 3.87Å; R376-E390 IonicContact NH2-OE1 2.99Å; R376-E390 PolarHBondContact NH2-OE1 3.46Å
377	E	98.3	Very high	98.1	Very high	131 Å²	131	61.2 Å²	61.2	61%	0.612	29%	0.29	S	S	*	.	H	α-helix	trans	-56.9	-46.2	177.3	-73.9	167	-172.3	0	0	111.9	K373 H379 L380 A381	K373-E377 WeakPolarHBondContact O-CG 3.34Å; K373-E377 PolarHBondContact O-N 3.35Å; E377-H379 VanDerWaalsContact C-N 3.31Å; E377-H379 PolarHBondContact O-N 2.74Å; E377-L380 PolarHBondContact O-N 3.41Å; E377-A381 WeakPolarHBondContact O-CB 3.48Å; E377-A381 PolarHBondContact O-N 3.4Å
378	K	98.5	Very high	97.8	Very high	74 Å²	74	62 Å²	62	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-38.5	176.3	-178.3	57.4	176.2	169.3	0	112	L204 R374 I375 R376 I382	L204-K378 HydrophobicContact CD2-CB 3.65Å; L204-K378 HydrophobicContact CD2-CG 3.84Å; R374-K378 WeakPolarHBondContact O-CB 3.26Å; R374-K378 PolarHBondContact O-N 2.72Å; R374-K378 VanDerWaalsContact O-N 3.11Å; I375-K378 PolarHBondContact O-N 3.24Å; R376-K378 VanDerWaalsContact C-N 3.34Å; R376-K378 PolarHBondContact O-N 2.9Å; K378-I382 HydrophobicContact CD-CD1 4.47Å; K378-I382 HydrophobicContact CG-CD1 4.38Å; K378-I382 WeakPolarHBondContact O-CG1 3.03Å; K378-I382 PolarHBondContact O-N 2.72Å
379	H	98.4	Very high	97.4	Very high	10 Å²	10	65.5 Å²	65.5	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-48.2	179.4	-156.1	161.7	0	0	0	111.3	L195 P196 V201 I375 R376 E377 A381 I382 L383	L195-H379 WeakPolarHBondContact CB-CE1 3.42Å; L195-H379 HydrophobicContact CD1-CB 4.03Å; P196-H379 PolarHBondContact O-CE1 3.22Å; P196-H379 PolarHBondContact O-NE2 3.1Å; V201-H379 HydrophobicContact CG1-CB 4.19Å; V201-H379 HydrophobicContact CG2-CB 4.03Å; I375-H379 WeakPolarHBondContact O-CB 3.5Å; I375-H379 PolarHBondContact O-N 3.21Å; R376-H379 WeakPolarHBondContact O-CB 3.47Å; R376-H379 PolarHBondContact O-N 3.11Å; R376-H379 VanDerWaalsContact O-N 3.1Å; E377-H379 VanDerWaalsContact C-N 3.31Å; E377-H379 PolarHBondContact O-N 2.74Å; H379-A381 VanDerWaalsContact C-N 3.3Å; H379-A381 PolarHBondContact O-N 3.17Å; H379-I382 PolarHBondContact O-N 2.7Å; H379-I382 VanDerWaalsContact O-N 3.15Å; H379-L383 PolarHBondContact O-N 2.65Å
380	L	97.5	Very high	96.4	Very high	52 Å²	52	67.7 Å²	67.7	27%	0.272	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-35.5	177.3	-65.8	-179.9	0	0	0	112.1	L195 R376 E377 I382 L383 K384 E390	L195-L380 HydrophobicContact CD1-CD2 3.94Å; R376-L380 HydrophobicContact CG-CD1 4.05Å; R376-L380 HydrophobicContact CG-CG 4.31Å; R376-L380 WeakPolarHBondContact O-CG 3.31Å; R376-L380 PolarHBondContact O-N 2.99Å; E377-L380 PolarHBondContact O-N 3.41Å; L380-I382 PolarHBondContact O-N 2.85Å; L380-L383 HydrophobicContact CD2-CD1 4.31Å; L380-L383 PolarHBondContact O-N 3.16Å; L380-K384 WeakPolarHBondContact O-CB 3.46Å; L380-K384 PolarHBondContact O-N 3.21Å; L380-E390 HydrophobicContact CD2-CB 4.46Å; L380-E390 HydrophobicContact CD2-CG 4.31Å; L380-E390 WeakPolarHBondContact CD2-OE2 3.3Å
381	A	98.2	Very high	95.3	Very high	37 Å²	37	71.4 Å²	71.4	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-59.9	-44.8	173	0	0	0	0	0	111.9	E377 H379 K384 E385	E377-A381 WeakPolarHBondContact O-CB 3.48Å; E377-A381 PolarHBondContact O-N 3.4Å; H379-A381 VanDerWaalsContact C-N 3.3Å; H379-A381 PolarHBondContact O-N 3.17Å; A381-K384 PolarHBondContact O-N 3.19Å; A381-E385 WeakPolarHBondContact O-CB 3.4Å; A381-E385 VanDerWaalsContact O-CG 3.25Å; A381-E385 WeakPolarHBondContact O-CG 3.43Å; A381-E385 PolarHBondContact O-N 3.3Å
382	I	98.1	Very high	94	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.036	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-41.6	177.5	-68.9	163.9	0	0	0	111.2	E200 V201 K378 H379 L380 E385 N386	E200-I382 HydrophobicContact CB-CD1 3.95Å; E200-I382 HydrophobicContact CG-CD1 4.25Å; V201-I382 HydrophobicContact CG2-CD1 3.61Å; K378-I382 HydrophobicContact CD-CD1 4.47Å; K378-I382 HydrophobicContact CG-CD1 4.38Å; K378-I382 WeakPolarHBondContact O-CG1 3.03Å; K378-I382 PolarHBondContact O-N 2.72Å; H379-I382 PolarHBondContact O-N 2.7Å; H379-I382 VanDerWaalsContact O-N 3.15Å; L380-I382 PolarHBondContact O-N 2.85Å; I382-E385 PolarHBondContact O-N 3.43Å; I382-N386 PolarHBondContact O-N 2.79Å; I382-N386 PolarHBondContact O-ND2 2.82Å
383	L	97.3	Very high	92.4	Very high	2 Å²	2	80.5 Å²	80.5	1%	0.01	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-45.2	176.7	-66	176.4	0	0	0	111.2	L195 H379 L380 E385 N386 N387 I388 V411 P414	L195-L383 HydrophobicContact CD1-CD1 4Å; L195-L383 HydrophobicContact CD2-CD1 3.83Å; L195-L383 HydrophobicContact CG-CD1 4.39Å; H379-L383 PolarHBondContact O-N 2.65Å; L380-L383 HydrophobicContact CD2-CD1 4.31Å; L380-L383 PolarHBondContact O-N 3.16Å; L383-E385 PolarHBondContact O-N 2.94Å; L383-N386 CarbonylContact O-C 3.5Å; L383-N386 PolarHBondContact O-N 2.77Å; L383-N386 VanDerWaalsContact O-N 3.09Å; L383-N387 PolarHBondContact O-N 3.3Å; L383-I388 HydrophobicContact CB-CB 4.28Å; L383-I388 HydrophobicContact CD2-CB 4.25Å; L383-I388 HydrophobicContact CD2-CD1 4.31Å; L383-I388 HydrophobicContact CD2-CG2 4.11Å; L383-I388 PolarHBondContact O-N 3.29Å; L383-V411 HydrophobicContact CD1-CG1 4.11Å; L383-V411 HydrophobicContact CD2-CG1 4.29Å; L383-P414 HydrophobicContact CD2-CG 4.27Å
384	K	96.9	Very high	90.7	Very high	170 Å²	170	79 Å²	79	74%	0.739	41%	0.407	S	S	*	.	H	α-helix	trans	-61.6	-42.4	176.4	-173.8	177.5	-179.8	177.8	0	112.4	L380 A381 N386 N387	L380-K384 WeakPolarHBondContact O-CB 3.46Å; L380-K384 PolarHBondContact O-N 3.21Å; A381-K384 PolarHBondContact O-N 3.19Å; K384-N386 PolarHBondContact O-N 3.32Å; K384-N387 PolarHBondContact O-N 3.03Å; K384-N387 VanDerWaalsContact O-N 3.14Å
385	E	97.3	Very high	89.3	Confident	136 Å²	136	77.8 Å²	77.8	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-59.6	-27.7	175.2	-76.8	167.4	-167.7	0	0	112.5	A381 I382 L383	A381-E385 WeakPolarHBondContact O-CB 3.4Å; A381-E385 VanDerWaalsContact O-CG 3.25Å; A381-E385 WeakPolarHBondContact O-CG 3.43Å; A381-E385 PolarHBondContact O-N 3.3Å; I382-E385 PolarHBondContact O-N 3.43Å; L383-E385 PolarHBondContact O-N 2.94Å
386	N	96.4	Very high	88.2	Confident	58 Å²	58	87.4 Å²	87.4	31%	0.31	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	13.7	179.2	-70.4	-80.7	0	0	0	113.6	I382 L383 K384 I388 P414 P415	I382-N386 PolarHBondContact O-N 2.79Å; I382-N386 PolarHBondContact O-ND2 2.82Å; L383-N386 CarbonylContact O-C 3.5Å; L383-N386 PolarHBondContact O-N 2.77Å; L383-N386 VanDerWaalsContact O-N 3.09Å; K384-N386 PolarHBondContact O-N 3.32Å; N386-I388 VanDerWaalsContact C-N 3.27Å; N386-I388 HydrophobicContact CB-CD1 4.18Å; N386-I388 HydrophobicContact CB-CG1 4.33Å; N386-I388 PolarHBondContact O-N 3.1Å; N386-P414 HydrophobicContact CB-CB 4.34Å; N386-P415 WeakPolarHBondContact OD1-CD 3.49Å
387	N	96.2	Very high	87.4	Confident	155 Å²	155	87 Å²	87	83%	0.829	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	36	-177.9	-58.1	-53.4	0	0	0	114	L383 K384	L383-N387 PolarHBondContact O-N 3.3Å; K384-N387 PolarHBondContact O-N 3.03Å; K384-N387 VanDerWaalsContact O-N 3.14Å
388	I	94.3	Very high	86.8	Confident	33 Å²	33	87.5 Å²	87.5	17%	0.169	46%	0.462	C	S	.	.			trans	-103.5	120	176.3	-60.3	173.5	0	0	0	108.6	L383 N386 V411 P414	L383-I388 HydrophobicContact CB-CB 4.28Å; L383-I388 HydrophobicContact CD2-CB 4.25Å; L383-I388 HydrophobicContact CD2-CD1 4.31Å; L383-I388 HydrophobicContact CD2-CG2 4.11Å; L383-I388 PolarHBondContact O-N 3.29Å; N386-I388 VanDerWaalsContact C-N 3.27Å; N386-I388 HydrophobicContact CB-CD1 4.18Å; N386-I388 HydrophobicContact CB-CG1 4.33Å; N386-I388 PolarHBondContact O-N 3.1Å; I388-V411 HydrophobicContact CG2-CG1 3.6Å; I388-P414 VanDerWaalsContact CD1-CA 3.5Å; I388-P414 HydrophobicContact CD1-CB 3.85Å
389	S	89.4	Confident	86.4	Confident	74 Å²	74	87.9 Å²	87.9	52%	0.517	47%	0.472	S	S	.	.			trans	-75.5	145.8	174.2	-168.5	0	0	0	0	111.1	E391	S389-E391 PolarHBondContact OG-N 3.04Å
390	E	78.4	Confident	86.2	Confident	88 Å²	88	93.4 Å²	93.4	41%	0.411	49%	0.493	S	S	.	.	S	Bend	trans	-80.1	-28.4	169.7	-178.8	178.7	-174.3	0	0	111.6	R376 L380 V392	R376-E390 IonicContact CZ-OE1 3.63Å; R376-E390 IonicContact NE-OE1 3.87Å; R376-E390 IonicContact NH2-OE1 2.99Å; R376-E390 PolarHBondContact NH2-OE1 3.46Å; L380-E390 HydrophobicContact CD2-CB 4.46Å; L380-E390 HydrophobicContact CD2-CG 4.31Å; L380-E390 WeakPolarHBondContact CD2-OE2 3.3Å; E390-V392 PolarHBondContact O-N 2.87Å; E390-V392 VanDerWaalsContact O-N 3.16Å
391	E	74.4	Confident	86.2	Confident	177 Å²	177	93.1 Å²	93.1	83%	0.827	49%	0.491	S	S	*	.			trans	-72.6	108.6	178.1	-66.7	-179.7	-179.6	0	0	109.3	S389	S389-E391 PolarHBondContact OG-N 3.04Å
392	V	70.9	Confident	86.2	Confident	57 Å²	57	92.7 Å²	92.7	35%	0.345	49%	0.485	S	S	.	.			trans	-113.1	118.8	171.8	-173.3	0	0	0	0	106.8	E390 A394 A410 V411	E390-V392 PolarHBondContact O-N 2.87Å; E390-V392 VanDerWaalsContact O-N 3.16Å; V392-A394 PolarHBondContact O-N 3.36Å; V392-A410 HydrophobicContact CB-CB 4.1Å; V392-A410 HydrophobicContact CG1-CB 4.11Å; V392-A410 HydrophobicContact CG2-CB 4.09Å; V392-V411 HydrophobicContact CG2-CG2 3.9Å
393	D	65.7	Low	86.2	Confident	153 Å²	153	95.8 Å²	95.8	82%	0.818	50%	0.496	S	S	*	.			trans	-56.1	124	172.4	-73	-38.1	0	0	0	108.4	P395	D393-P395 WeakPolarHBondContact O-CD 3.49Å
394	A	63.8	Low	86.3	Confident	90 Å²	90	96 Å²	96	74%	0.744	50%	0.498	S	S	*	.			trans	-59.8	110.6	176.1	0	0	0	0	0	107.6	V392 E396	V392-A394 PolarHBondContact O-N 3.36Å; A394-E396 PolarHBondContact O-N 2.93Å
395	P	69.4	Low	86.3	Confident	72 Å²	72	90.1 Å²	90.1	47%	0.468	47%	0.471	S	S	.	.			trans	-63.1	138	-177.2	25.1	-31.8	0	0	0	108.4	D393 V397	D393-P395 WeakPolarHBondContact O-CD 3.49Å; P395-V397 HydrophobicContact CG-CG2 4.44Å; P395-V397 WeakPolarHBondContact O-CG2 3.28Å; P395-V397 PolarHBondContact O-N 2.97Å
396	E	75.3	Confident	86.4	Confident	203 Å²	203	84 Å²	84	95%	0.949	44%	0.444	S	S	*	.			trans	-61.4	104.4	169.5	-75.1	-171.3	166.4	0	0	108.5	A394 E398	A394-E396 PolarHBondContact O-N 2.93Å; E396-E398 PolarHBondContact O-N 3.25Å
397	V	81.7	Confident	86.5	Confident	48 Å²	48	81.9 Å²	81.9	29%	0.291	43%	0.433	S	S	.	.			trans	-88.1	108.6	179.9	-179.5	0	0	0	0	108.7	H188 P395 P399	H188-V397 HydrophobicContact CB-CG1 4.09Å; H188-V397 WeakPolarHBondContact CD2-CG1 3.33Å; P395-V397 HydrophobicContact CG-CG2 4.44Å; P395-V397 WeakPolarHBondContact O-CG2 3.28Å; P395-V397 PolarHBondContact O-N 2.97Å; V397-P399 WeakPolarHBondContact O-CD 3.42Å
398	E	84.6	Confident	86.5	Confident	141 Å²	141	77.3 Å²	77.3	66%	0.659	40%	0.404	S	S	*	.			trans	-55.5	125.6	172.3	-74	-172.6	168.7	0	0	110.8	E396 R400	E396-E398 PolarHBondContact O-N 3.25Å; E398-R400 PolarHBondContact O-N 3.13Å
399	P	90.1	Very high	86.6	Confident	82 Å²	82	77.2 Å²	77.2	53%	0.532	40%	0.403	S	S	.	.			trans	-67.4	99.5	178.2	-21.2	33.5	0	0	0	111.5	Q139 V397	Q139-P399 PolarHBondContact NE2-O 3.41Å; V397-P399 WeakPolarHBondContact O-CD 3.42Å
400	R	94.9	Very high	86.8	Confident	127 Å²	127	74.5 Å²	74.5	48%	0.479	39%	0.385	S	S	.	.			trans	-139.6	155.6	174.8	62.5	179.7	-179.2	-172.8	-2.4	111.9	H188 E398 V402	H188-R400 HydrophobicContact CB-CG 3.98Å; H188-R400 PolarHBondContact N-O 3.35Å; E398-R400 PolarHBondContact O-N 3.13Å; R400-V402 HydrophobicContact CG-CG1 4.04Å
401	L	96.8	Very high	87.6	Confident	45 Å²	45	70.5 Å²	70.5	24%	0.236	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.6	171.9	-57.7	-171.5	0	0	0	109.8	V185 I186 K187 L546	V185-L401 HydrophobicContact CG1-CB 4.06Å; I186-L401 WeakPolarHBondContact O-CA 3.32Å; K187-L401 HydrophobicContact CB-CD2 4.48Å; L401-L546 HydrophobicContact CD1-CD1 4.3Å; L401-L546 HydrophobicContact CD2-CD1 3.39Å; L401-L546 HydrophobicContact CG-CD1 4.48Å
402	V	97.9	Very high	88.5	Confident	28 Å²	28	66.2 Å²	66.2	17%	0.17	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.5	-179.8	-64.3	0	0	0	0	109.8	V185 I186 H188 R400 Y405	V185-V402 WeakPolarHBondContact CA-O 3.23Å; I186-V402 HydrophobicContact CG1-CG2 4.02Å; I186-V402 PolarHBondContact N-O 3.42Å; I186-V402 PolarHBondContact O-N 2.89Å; H188-V402 HydrophobicContact CB-CG1 4.47Å; H188-V402 HydrophobicContact CB-CG2 4.12Å; R400-V402 HydrophobicContact CG-CG1 4.04Å; V402-Y405 HydrophobicContact CG2-CD1 4.24Å; V402-Y405 HydrophobicContact CG2-CE1 3.83Å
403	Y	98.6	Very high	89.6	Confident	72 Å²	72	64.1 Å²	64.1	28%	0.282	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	145.3	162.7	-73.2	-67.1	0	0	0	110.1	P142 T182 A184 V185	P142-Y403 HydrophobicContact CG-CE2 4.43Å; T182-Y403 HydrophobicContact CG2-CD1 4.42Å; A184-Y403 CarbonylContact O-C 3.5Å; A184-Y403 WeakPolarHBondContact O-CA 3.41Å; V185-Y403 HydrophobicContact CG2-CD1 4.03Å; V185-Y403 HydrophobicContact CG2-CE1 3.96Å
404	C	98.6	Very high	91.1	Very high	6 Å²	6	56.9 Å²	56.9	4%	0.041	31%	0.306	C	S	.	.			trans	-64.2	142.7	-176	79.4	0	0	0	0	111.5	T182 A184 I186 R537 F543	T182-C404 PolarHBondContact OG1-SG 3.04Å; A184-C404 HydrophobicContact CB-CB 4.17Å; A184-C404 PolarHBondContact O-N 2.93Å; I186-C404 HydrophobicContact CD1-CB 4.19Å; I186-C404 HydrophobicContact CG1-CB 4.32Å; I186-C404 HydrophobicContact CG2-CB 4.31Å; C404-R537 HydrophobicContact CB-CG 4.27Å; C404-R537 PolarHBondContact O-NH2 2.86Å; C404-R537 PolarHBondContact SG-NE 3.1Å; C404-F543 HydrophobicContact CB-CE2 3.94Å; C404-F543 HydrophobicContact CB-CZ 3.91Å
405	Y	98.6	Very high	92.6	Very high	47 Å²	47	56.6 Å²	56.6	18%	0.184	30%	0.297	C	S	.	.			trans	-126.4	157.9	175.9	53.5	-84.6	0	0	0	109.4	I186 H188 R189 V402 R408 R537	I186-Y405 HydrophobicContact CD1-CD1 4.46Å; I186-Y405 HydrophobicContact CD1-CE1 4.07Å; H188-Y405 AromaticContact CE1-CZ 3.86Å; H188-Y405 PolarHBondContact CE1-OH 3.25Å; H188-Y405 VanDerWaalsContact CE1-OH 3.29Å; H188-Y405 AromaticContact ND1-CE1 3.59Å; H188-Y405 AromaticContact ND1-CZ 3.53Å; H188-Y405 PolarHBondContact ND1-OH 3.47Å; R189-Y405 PolarHBondContact N-OH 3.2Å; R189-Y405 VanDerWaalsContact N-OH 3.17Å; R189-Y405 PolarHBondContact O-OH 3.17Å; V402-Y405 HydrophobicContact CG2-CD1 4.24Å; V402-Y405 HydrophobicContact CG2-CE1 3.83Å; Y405-R408 HydrophobicContact CD2-CG 4.29Å; Y405-R408 HydrophobicContact CE2-CG 4.24Å; Y405-R537 WeakPolarHBondContact O-CG 3.13Å; Y405-R537 PolarHBondContact O-NE 2.75Å
406	P	98.6	Very high	93.8	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.058	28%	0.283	C	S	.	.			trans	-54.5	145.5	177.2	-21.4	31.3	0	0	0	111.3	R408 G532 S536	P406-R408 PolarHBondContact O-N 2.86Å; P406-R408 PolarHBondContact O-NE 3.26Å; P406-G532 VanDerWaalsContact CB-O 3.23Å; P406-G532 WeakPolarHBondContact CB-O 3.23Å; P406-S536 CarbonylContact C-O 3.29Å; P406-S536 WeakPolarHBondContact CA-O 3.45Å
407	V	97.9	Very high	94.8	Very high	12 Å²	12	46.8 Å²	46.8	7%	0.073	25%	0.249	C	C	.	.			trans	-56.9	137.1	176.2	64	0	0	0	0	109.7	P528 S536	V407-P528 HydrophobicContact CB-CB 4.41Å; V407-P528 HydrophobicContact CG1-CB 3.59Å; V407-P528 WeakPolarHBondContact CG1-O 3.45Å; V407-P528 HydrophobicContact CG2-CB 4.13Å; V407-S536 PolarHBondContact N-O 2.91Å
408	R	96.4	Very high	95.5	Very high	60 Å²	60	50 Å²	50	23%	0.226	27%	0.273	C	S	.	.			trans	-107.7	150.3	178.4	-54.8	-52.9	-177.3	-170	2.5	108.5	P191 S192 Y405 P406 S454	P191-R408 CarbonylContact C-O 3.04Å; P191-R408 WeakPolarHBondContact CA-O 3.14Å; P191-R408 HydrophobicContact CB-CB 4.24Å; S192-R408 PolarHBondContact N-O 3.35Å; Y405-R408 HydrophobicContact CD2-CG 4.29Å; Y405-R408 HydrophobicContact CE2-CG 4.24Å; P406-R408 PolarHBondContact O-N 2.86Å; P406-R408 PolarHBondContact O-NE 3.26Å; R408-S454 PolarHBondContact NH1-O 2.99Å; R408-S454 PolarHBondContact NH2-O 3Å
409	L	95.8	Very high	96.1	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.157	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-102.7	140	177.6	-51.8	-177.3	0	0	0	108.7	S192 P196 D529 Y533	S192-L409 WeakPolarHBondContact O-CA 3.43Å; P196-L409 HydrophobicContact CB-CD1 4.06Å; P196-L409 HydrophobicContact CG-CB 4.39Å; P196-L409 HydrophobicContact CG-CD1 3.98Å; L409-D529 HydrophobicContact CD1-CB 4.45Å; L409-Y533 HydrophobicContact CD1-CE2 4.46Å
410	A	93.9	Very high	96.4	Very high	17 Å²	17	46 Å²	46	14%	0.14	25%	0.249	C	C	.	.	S	Bend	trans	-70.4	-45.9	-176	0	0	0	0	0	110.3	P191 S192 V392	P191-A410 HydrophobicContact CB-CB 4Å; P191-A410 HydrophobicContact CG-CB 3.8Å; S192-A410 PolarHBondContact O-N 3.34Å; V392-A410 HydrophobicContact CB-CB 4.1Å; V392-A410 HydrophobicContact CG1-CB 4.11Å; V392-A410 HydrophobicContact CG2-CB 4.09Å
411	V	94.9	Very high	96.4	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	24%	0.244	C	C	.	.	S	Bend	trans	-76.5	136.7	-179.8	-179.1	0	0	0	0	110.1	L195 P196 L383 I388 V392	L195-V411 HydrophobicContact CD2-CB 4.28Å; L195-V411 HydrophobicContact CD2-CG1 4.46Å; L195-V411 HydrophobicContact CD2-CG2 3.85Å; P196-V411 HydrophobicContact CG-CB 4.43Å; P196-V411 WeakPolarHBondContact CG-O 3.48Å; L383-V411 HydrophobicContact CD1-CG1 4.11Å; L383-V411 HydrophobicContact CD2-CG1 4.29Å; I388-V411 HydrophobicContact CG2-CG1 3.6Å; V392-V411 HydrophobicContact CG2-CG2 3.9Å
412	S	94	Very high	96.3	Very high	87 Å²	87	44.9 Å²	44.9	61%	0.608	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-66.3	141.3	176.2	-70	0	0	0	0	111.7
413	A	95.1	Very high	96.1	Very high	13 Å²	13	47.7 Å²	47.7	11%	0.107	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.8	132.4	178.5	0	0	0	0	0	111.4	P196	P196-A413 HydrophobicContact CB-CB 3.82Å; P196-A413 HydrophobicContact CG-CB 4.24Å
414	P	95.4	Very high	95.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.9	162.6	175.8	28.7	-35	0	0	0	112	L383 N386 I388 M416	L383-P414 HydrophobicContact CD2-CG 4.27Å; N386-P414 HydrophobicContact CB-CB 4.34Å; I388-P414 VanDerWaalsContact CD1-CA 3.5Å; I388-P414 HydrophobicContact CD1-CB 3.85Å; P414-M416 PolarHBondContact O-N 2.85Å
415	P	95.1	Very high	95.2	Very high	85 Å²	85	55.9 Å²	55.9	55%	0.552	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-50.4	134.5	162.7	-23.6	33.6	0	0	0	110.5	N386	N386-P415 WeakPolarHBondContact OD1-CD 3.49Å
416	M	96.1	Very high	94.7	Very high	33 Å²	33	58.4 Å²	58.4	16%	0.163	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-93.4	145	-177.3	-64.9	-73.5	-179.1	0	0	110.7	P197 P414 R463 P466 R467	P197-M416 WeakPolarHBondContact O-CE 3.48Å; P414-M416 PolarHBondContact O-N 2.85Å; M416-R463 HydrophobicContact CB-CG 4.13Å; M416-R463 HydrophobicContact CG-CB 3.9Å; M416-R463 HydrophobicContact CG-CG 3.54Å; M416-P466 HydrophobicContact CB-CB 3.86Å; M416-P466 HydrophobicContact CB-CG 3.45Å; M416-P466 VanDerWaalsContact CB-CG 3.45Å; M416-P466 HydrophobicContact CG-CB 4.17Å; M416-P466 HydrophobicContact CG-CG 3.79Å; M416-P466 HydrophobicContact SD-CB 4.27Å; M416-P466 HydrophobicContact SD-CG 4.49Å; M416-R467 HydrophobicContact CE-CG 4.06Å
417	P	96.8	Very high	94.5	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.3	162.6	175.8	33.2	-35.8	0	0	0	110.6	H198 P199 Y432	H198-P417 WeakPolarHBondContact NE2-CD 3.45Å; P199-P417 HydrophobicContact CB-CG 3.99Å; P199-P417 HydrophobicContact CG-CG 3.78Å; P417-Y432 HydrophobicContact CB-CE2 3.72Å; P417-Y432 HydrophobicContact CG-CD2 4.23Å; P417-Y432 HydrophobicContact CG-CE2 3.46Å; P417-Y432 VanDerWaalsContact CG-CE2 3.46Å
418	S	94.6	Very high	94.4	Very high	114 Å²	114	59.5 Å²	59.5	80%	0.797	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.9	175.1	58.2	0	0	0	0	111.3
419	V	96.9	Very high	94.5	Very high	20 Å²	20	56.7 Å²	56.7	12%	0.121	32%	0.318	C	S	.	.			trans	-133.1	129.4	178.7	176.1	0	0	0	0	107.7	I430 R431 Y432 P466 W469	V419-I430 HydrophobicContact CG1-CG2 3.2Å; V419-R431 WeakPolarHBondContact CG1-O 3.4Å; V419-Y432 HydrophobicContact CG2-CD2 4.04Å; V419-P466 HydrophobicContact CG2-CB 3.82Å; V419-W469 HydrophobicContact CG1-CB 4.29Å
420	E	96.4	Very high	94.6	Very high	121 Å²	121	55.3 Å²	55.3	57%	0.565	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	141.2	-179.7	-64.3	174.6	177.5	0	0	110.1	I430 R431	E420-I430 CarbonylContact O-C 3.46Å; E420-I430 WeakPolarHBondContact O-CA 3.45Å; E420-R431 HydrophobicContact CB-CB 4.34Å; E420-R431 PolarHBondContact N-O 3.14Å; E420-R431 PolarHBondContact O-N 3Å; E420-R431 IonicContact OE2-NH1 3.81Å
421	M	96.4	Very high	94.8	Very high	76 Å²	76	58.7 Å²	58.7	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.9	174.6	-177.2	-103.6	-74.6	0	0	109.8	V428 C429 I430 F444 L465	M421-V428 HydrophobicContact CG-CG1 3.62Å; M421-V428 HydrophobicContact SD-CG1 4.05Å; M421-C429 WeakPolarHBondContact CA-O 3.35Å; M421-I430 HydrophobicContact CG-CG1 4.24Å; M421-F444 HydrophobicContact CE-CE1 4.3Å; M421-F444 HydrophobicContact CE-CZ 4.01Å; M421-L465 HydrophobicContact CB-CD1 4.12Å; M421-L465 HydrophobicContact CB-CD2 4.11Å; M421-L465 HydrophobicContact CE-CD1 4.44Å; M421-L465 HydrophobicContact CE-CD2 4Å; M421-L465 HydrophobicContact CG-CD2 4.16Å
422	H	94.7	Very high	95	Very high	72 Å²	72	59.1 Å²	59.1	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.7	168.9	65.9	-79.1	0	0	0	109.6	C429	H422-C429 WeakPolarHBondContact CE1-CB 3.18Å; H422-C429 PolarHBondContact N-O 3.26Å; H422-C429 WeakPolarHBondContact NE2-CB 3.46Å; H422-C429 PolarHBondContact O-N 2.86Å
423	M	92.6	Very high	95.1	Very high	87 Å²	87	61.3 Å²	61.3	43%	0.429	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.8	179.6	-171.6	174.9	63.4	0	0	110	L168 V427	L168-M423 HydrophobicContact CD2-CE 3.63Å; L168-M423 HydrophobicContact CD2-SD 4.18Å; M423-V427 CarbonylContact C-O 3.54Å; M423-V427 WeakPolarHBondContact CA-O 3.26Å
424	E	91.3	Very high	95.1	Very high	103 Å²	103	63.3 Å²	63.3	48%	0.481	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.9	177.7	-172.1	-177.7	-173.2	0	0	108.5	N426 V427	E424-N426 PolarHBondContact O-N 2.88Å; E424-V427 PolarHBondContact N-O 3.43Å; E424-V427 WeakPolarHBondContact O-CA 3.46Å; E424-V427 WeakPolarHBondContact O-CB 3.25Å; E424-V427 PolarHBondContact O-N 2.8Å
425	N	88.2	Confident	95.1	Very high	146 Å²	146	66.9 Å²	66.9	78%	0.781	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	49	175.6	-61.2	-33.3	0	0	0	114.8	V427	N425-V427 PolarHBondContact O-N 3.11Å
426	N	87.9	Confident	95.2	Very high	100 Å²	100	65.7 Å²	65.7	54%	0.535	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	15.9	-175.1	-61.6	-51.4	0	0	0	115.5	E424 R441	E424-N426 PolarHBondContact O-N 2.88Å; N426-R441 HydrophobicContact CB-CB 4.46Å; N426-R441 VanDerWaalsContact O-CB 3.31Å; N426-R441 WeakPolarHBondContact O-CB 3.38Å; N426-R441 PolarHBondContact O-N 3.39Å
427	V	94	Very high	95.2	Very high	40 Å²	40	64.3 Å²	64.3	24%	0.242	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.5	169.8	-177	0	0	0	0	108.5	M423 E424 N425 K438	M423-V427 CarbonylContact C-O 3.54Å; M423-V427 WeakPolarHBondContact CA-O 3.26Å; E424-V427 PolarHBondContact N-O 3.43Å; E424-V427 WeakPolarHBondContact O-CA 3.46Å; E424-V427 WeakPolarHBondContact O-CB 3.25Å; E424-V427 PolarHBondContact O-N 2.8Å; N425-V427 PolarHBondContact O-N 3.11Å; V427-K438 HydrophobicContact CG1-CB 3.87Å; V427-K438 HydrophobicContact CG1-CD 4.25Å; V427-K438 HydrophobicContact CG1-CG 4.26Å
428	V	96.5	Very high	95.2	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.03	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.3	173.1	-176.4	0	0	0	0	108	M421 I430 K438 V439 F444	M421-V428 HydrophobicContact CG-CG1 3.62Å; M421-V428 HydrophobicContact SD-CG1 4.05Å; V428-I430 HydrophobicContact CG1-CD1 4.4Å; V428-I430 HydrophobicContact CG1-CG1 3.96Å; V428-K438 WeakPolarHBondContact O-CA 3.32Å; V428-V439 HydrophobicContact CB-CG1 4.03Å; V428-V439 PolarHBondContact N-O 3.23Å; V428-V439 PolarHBondContact O-N 3.31Å; V428-F444 HydrophobicContact CB-CB 4.31Å; V428-F444 HydrophobicContact CB-CD2 4.26Å; V428-F444 HydrophobicContact CB-CG 4.2Å; V428-F444 HydrophobicContact CG1-CD2 3.87Å; V428-F444 HydrophobicContact CG1-CE2 4Å; V428-F444 HydrophobicContact CG1-CG 4.13Å; V428-F444 HydrophobicContact CG1-CZ 4.36Å; V428-F444 HydrophobicContact CG2-CB 3.8Å; V428-F444 HydrophobicContact CG2-CD1 4.08Å; V428-F444 HydrophobicContact CG2-CD2 4.38Å; V428-F444 HydrophobicContact CG2-CG 3.83Å
429	C	97.5	Very high	95.3	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117	179	-66.8	0	0	0	0	108.5	M421 H422 M436	M421-C429 WeakPolarHBondContact CA-O 3.35Å; H422-C429 WeakPolarHBondContact CE1-CB 3.18Å; H422-C429 PolarHBondContact N-O 3.26Å; H422-C429 WeakPolarHBondContact NE2-CB 3.46Å; H422-C429 PolarHBondContact O-N 2.86Å; C429-M436 HydrophobicContact CB-CG 4.27Å; C429-M436 HydrophobicContact CB-SD 3.91Å
430	I	98.1	Very high	95.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.8	-177.8	-51.5	176.4	0	0	0	108.1	V419 E420 M421 V428 M436 V437 F444 V468 W469 L472	V419-I430 HydrophobicContact CG1-CG2 3.2Å; E420-I430 CarbonylContact O-C 3.46Å; E420-I430 WeakPolarHBondContact O-CA 3.45Å; M421-I430 HydrophobicContact CG-CG1 4.24Å; V428-I430 HydrophobicContact CG1-CD1 4.4Å; V428-I430 HydrophobicContact CG1-CG1 3.96Å; I430-M436 WeakPolarHBondContact O-CA 3.19Å; I430-V437 HydrophobicContact CB-CG2 3.96Å; I430-V437 PolarHBondContact N-O 2.82Å; I430-V437 PolarHBondContact O-N 2.82Å; I430-F444 HydrophobicContact CD1-CD2 4.28Å; I430-F444 HydrophobicContact CD1-CE2 3.87Å; I430-V468 HydrophobicContact CD1-CB 4.17Å; I430-V468 HydrophobicContact CD1-CG1 3.45Å; I430-V468 VanDerWaalsContact CD1-CG1 3.45Å; I430-W469 HydrophobicContact CG2-CB 3.95Å; I430-W469 HydrophobicContact CG2-CG 4.31Å; I430-L472 HydrophobicContact CD1-CD1 4.25Å
431	R	98.2	Very high	95	Very high	88 Å²	88	58.7 Å²	58.7	33%	0.332	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.2	-172.4	-177.4	-173.2	-71.3	162.9	-3	111.8	V419 E420 E435	V419-R431 WeakPolarHBondContact CG1-O 3.4Å; E420-R431 HydrophobicContact CB-CB 4.34Å; E420-R431 PolarHBondContact N-O 3.14Å; E420-R431 PolarHBondContact O-N 3Å; E420-R431 IonicContact OE2-NH1 3.81Å; R431-E435 WeakPolarHBondContact CA-O 3.25Å
432	Y	98.3	Very high	94.8	Very high	14 Å²	14	56.1 Å²	56.1	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.1	170.7	176.1	-109.5	0	0	0	109.2	P199 E200 L203 P417 V419 G434 E435 W469	P199-Y432 HydrophobicContact CB-CD1 3.67Å; P199-Y432 HydrophobicContact CB-CD2 4.05Å; P199-Y432 HydrophobicContact CB-CE1 3.65Å; P199-Y432 HydrophobicContact CB-CE2 4.03Å; P199-Y432 HydrophobicContact CB-CG 3.87Å; E200-Y432 WeakPolarHBondContact OE2-CE1 3.33Å; E200-Y432 PolarHBondContact OE2-OH 3.23Å; L203-Y432 HydrophobicContact CD2-CD1 4.46Å; L203-Y432 HydrophobicContact CD2-CE1 4.2Å; P417-Y432 HydrophobicContact CB-CE2 3.72Å; P417-Y432 HydrophobicContact CG-CD2 4.23Å; P417-Y432 HydrophobicContact CG-CE2 3.46Å; P417-Y432 VanDerWaalsContact CG-CE2 3.46Å; V419-Y432 HydrophobicContact CG2-CD2 4.04Å; Y432-G434 PolarHBondContact O-N 3.21Å; Y432-G434 VanDerWaalsContact O-N 3.12Å; Y432-E435 PolarHBondContact N-O 2.94Å; Y432-E435 WeakPolarHBondContact O-CB 3.45Å; Y432-E435 PolarHBondContact O-N 3.47Å; Y432-W469 AromaticContact CD1-CH2 3.95Å; Y432-W469 HydrophobicContact CD1-CH2 3.95Å; Y432-W469 HydrophobicContact CD1-CZ2 4.14Å; Y432-W469 HydrophobicContact CD1-CZ3 4.18Å
433	K	97.2	Very high	94.9	Very high	134 Å²	134	52.8 Å²	52.8	58%	0.583	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	42.5	-178.7	-67.8	-173.4	172.4	-179.8	0	114.2	E200 L203 E435	E200-K433 IonicContact OE1-NZ 2.87Å; E200-K433 PolarHBondContact OE1-NZ 3.5Å; E200-K433 WeakPolarHBondContact OE2-CE 3.26Å; E200-K433 IonicContact OE2-NZ 2.74Å; E200-K433 PolarHBondContact OE2-NZ 3.01Å; L203-K433 HydrophobicContact CD2-CB 4.48Å; L203-K433 HydrophobicContact CD2-CD 4.33Å; K433-E435 PolarHBondContact O-N 3.27Å
434	G	94.1	Very high	95.1	Very high	55 Å²	55	49.3 Å²	49.3	57%	0.567	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.3	-18.4	-178.7	0	0	0	0	0	115.2	Y432 M436	Y432-G434 PolarHBondContact O-N 3.21Å; Y432-G434 VanDerWaalsContact O-N 3.12Å; G434-M436 PolarHBondContact O-N 2.72Å
435	E	96.9	Very high	95.3	Very high	75 Å²	75	44.4 Å²	44.4	35%	0.35	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.7	179.2	-67.2	-67.1	142.8	0	0	111.3	L203 R431 Y432 K433 W469 R473	L203-E435 HydrophobicContact CD1-CB 4.47Å; L203-E435 HydrophobicContact CD1-CG 3.67Å; R431-E435 WeakPolarHBondContact CA-O 3.25Å; Y432-E435 PolarHBondContact N-O 2.94Å; Y432-E435 WeakPolarHBondContact O-CB 3.45Å; Y432-E435 PolarHBondContact O-N 3.47Å; K433-E435 PolarHBondContact O-N 3.27Å; E435-W469 HydrophobicContact CB-CZ2 3.93Å; E435-W469 PolarHBondContact O-NE1 3.44Å; E435-W469 VanDerWaalsContact O-NE1 3.11Å; E435-R473 IonicContact OE2-CZ 3.63Å; E435-R473 IonicContact OE2-NH1 3.84Å; E435-R473 PolarHBondContact OE2-NH1 2.94Å; E435-R473 IonicContact OE2-NH2 2.67Å; E435-R473 PolarHBondContact OE2-NH2 3.48Å
436	M	96.6	Very high	95.8	Very high	59 Å²	59	37.5 Å²	37.5	29%	0.291	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.8	-176.3	-172.6	-172.2	-63.4	0	0	111.6	C429 I430 G434 K438	C429-M436 HydrophobicContact CB-CG 4.27Å; C429-M436 HydrophobicContact CB-SD 3.91Å; I430-M436 WeakPolarHBondContact O-CA 3.19Å; G434-M436 PolarHBondContact O-N 2.72Å; M436-K438 HydrophobicContact SD-CG 4.42Å
437	V	96.6	Very high	96.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	153.4	165.6	-62.9	0	0	0	0	109.7	I430 W469 L472 R473	I430-V437 HydrophobicContact CB-CG2 3.96Å; I430-V437 PolarHBondContact N-O 2.82Å; I430-V437 PolarHBondContact O-N 2.82Å; V437-W469 HydrophobicContact CG2-CG 4.17Å; V437-L472 HydrophobicContact CB-CB 3.88Å; V437-L472 HydrophobicContact CB-CD1 4.28Å; V437-L472 HydrophobicContact CG1-CB 4.3Å; V437-L472 HydrophobicContact CG2-CB 3.83Å; V437-L472 HydrophobicContact CG2-CD1 3.76Å; V437-L472 HydrophobicContact CG2-CG 4.46Å; V437-R473 HydrophobicContact CG1-CB 4.17Å
438	K	95.7	Very high	96.5	Very high	98 Å²	98	33.2 Å²	33.2	43%	0.426	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.9	-174.8	-64.6	-173.7	178.8	-171	0	110.7	V427 V428 M436 I625	V427-K438 HydrophobicContact CG1-CB 3.87Å; V427-K438 HydrophobicContact CG1-CD 4.25Å; V427-K438 HydrophobicContact CG1-CG 4.26Å; V428-K438 WeakPolarHBondContact O-CA 3.32Å; M436-K438 HydrophobicContact SD-CG 4.42Å; K438-I625 VanDerWaalsContact O-CD1 3.25Å; K438-I625 WeakPolarHBondContact O-CD1 3.25Å; K438-I625 WeakPolarHBondContact O-CG1 3.38Å
439	V	96.3	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.1	171.6	60.4	0	0	0	0	108.4	V428 F444 L472 H624	V428-V439 HydrophobicContact CB-CG1 4.03Å; V428-V439 PolarHBondContact N-O 3.23Å; V428-V439 PolarHBondContact O-N 3.31Å; V439-F444 HydrophobicContact CG1-CB 3.99Å; V439-F444 HydrophobicContact CG1-CD2 4.02Å; V439-F444 HydrophobicContact CG1-CG 4.48Å; V439-L472 HydrophobicContact CB-CD1 3.9Å; V439-L472 HydrophobicContact CB-CD2 4.07Å; V439-L472 HydrophobicContact CG1-CD1 3.84Å; V439-L472 HydrophobicContact CG2-CD2 4.35Å; V439-H624 HydrophobicContact CG2-CB 4.43Å
440	S	94.9	Very high	96.6	Very high	22 Å²	22	35.1 Å²	35.1	15%	0.154	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	151.7	174.1	64.9	0	0	0	0	110.8	N442 Y443 F444 H624	S440-N442 PolarHBondContact O-N 3.43Å; S440-Y443 PolarHBondContact O-N 3.37Å; S440-Y443 VanDerWaalsContact O-N 3.14Å; S440-Y443 VanDerWaalsContact OG-CD2 3.23Å; S440-Y443 WeakPolarHBondContact OG-CD2 3.16Å; S440-F444 PolarHBondContact O-N 3.27Å; S440-H624 WeakPolarHBondContact CB-O 3.08Å; S440-H624 PolarHBondContact N-O 2.99Å; S440-H624 PolarHBondContact OG-O 2.85Å
441	R	93.5	Very high	96.6	Very high	53 Å²	53	35.1 Å²	35.1	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-55	-38.9	-179.9	178.4	-179.4	172.8	-166.8	-3.8	113.1	A167 L168 N426 F444 S445	A167-R441 PolarHBondContact O-NH2 3.31Å; L168-R441 PolarHBondContact O-NE 3.07Å; N426-R441 HydrophobicContact CB-CB 4.46Å; N426-R441 VanDerWaalsContact O-CB 3.31Å; N426-R441 WeakPolarHBondContact O-CB 3.38Å; N426-R441 PolarHBondContact O-N 3.39Å; R441-F444 PolarHBondContact O-N 2.87Å; R441-S445 WeakPolarHBondContact O-CB 3.37Å; R441-S445 PolarHBondContact O-N 3.1Å; R441-S445 PolarHBondContact O-OG 2.75Å
442	N	92.3	Very high	96.6	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-44.2	179.8	-69.6	-16.7	0	0	0	111.2	T172 E173 W176 S440 S445 K446	T172-N442 PolarHBondContact N-OD1 3.22Å; T172-N442 PolarHBondContact OG1-ND2 3.22Å; T172-N442 PolarHBondContact OG1-OD1 3.06Å; E173-N442 PolarHBondContact N-ND2 3.4Å; W176-N442 HydrophobicContact CH2-CB 4.28Å; W176-N442 WeakPolarHBondContact CH2-O 3.38Å; S440-N442 PolarHBondContact O-N 3.43Å; N442-S445 WeakPolarHBondContact O-CB 3.46Å; N442-S445 PolarHBondContact O-N 2.84Å; N442-K446 PolarHBondContact O-N 3.01Å
443	Y	96.3	Very high	96.6	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-75.2	-30.1	178.6	-77.5	-99.7	0	0	0	112.5	Y175 W176 S440 S445 K446 L447 L516 Q623 H624	Y175-Y443 HydrophobicContact CD2-CE2 4.16Å; W176-Y443 HydrophobicContact CZ3-CD1 4.31Å; W176-Y443 HydrophobicContact CZ3-CD2 4.36Å; W176-Y443 HydrophobicContact CZ3-CE1 4.12Å; W176-Y443 HydrophobicContact CZ3-CE2 4.22Å; W176-Y443 HydrophobicContact CZ3-CG 4.44Å; S440-Y443 PolarHBondContact O-N 3.37Å; S440-Y443 VanDerWaalsContact O-N 3.14Å; S440-Y443 VanDerWaalsContact OG-CD2 3.23Å; S440-Y443 WeakPolarHBondContact OG-CD2 3.16Å; Y443-S445 VanDerWaalsContact C-N 3.3Å; Y443-S445 PolarHBondContact O-N 2.99Å; Y443-K446 HydrophobicContact CD1-CD 4.12Å; Y443-K446 HydrophobicContact CE1-CD 4.44Å; Y443-K446 WeakPolarHBondContact O-CB 3.35Å; Y443-K446 PolarHBondContact O-N 3.22Å; Y443-L447 VanDerWaalsContact O-CG 3.29Å; Y443-L447 WeakPolarHBondContact O-CG 3.49Å; Y443-L447 PolarHBondContact O-N 3.15Å; Y443-L516 WeakPolarHBondContact CD1-O 3.24Å; Y443-L516 WeakPolarHBondContact CE1-O 3.21Å; Y443-Q623 HydrophobicContact CE1-CG 4Å; Y443-Q623 WeakPolarHBondContact CE2-O 3.38Å; Y443-Q623 WeakPolarHBondContact OH-CB 3.26Å; Y443-Q623 VanDerWaalsContact OH-CG 3.27Å; Y443-Q623 WeakPolarHBondContact OH-CG 3.23Å; Y443-Q623 PolarHBondContact OH-NE2 2.99Å; Y443-H624 HydrophobicContact CD1-CB 3.87Å; Y443-H624 HydrophobicContact CE1-CB 4.42Å; Y443-H624 HydrophobicContact CG-CB 3.98Å
444	F	96.9	Very high	96.6	Very high	14 Å²	14	36.4 Å²	36.4	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-42.7	168	-173	-102.8	0	0	0	111.7	L169 M421 V428 I430 V439 S440 R441 L447 W448 F464 L465 V468	L169-F444 HydrophobicContact CD2-CD1 4.22Å; L169-F444 HydrophobicContact CD2-CE1 4.11Å; M421-F444 HydrophobicContact CE-CE1 4.3Å; M421-F444 HydrophobicContact CE-CZ 4.01Å; V428-F444 HydrophobicContact CB-CB 4.31Å; V428-F444 HydrophobicContact CB-CD2 4.26Å; V428-F444 HydrophobicContact CB-CG 4.2Å; V428-F444 HydrophobicContact CG1-CD2 3.87Å; V428-F444 HydrophobicContact CG1-CE2 4Å; V428-F444 HydrophobicContact CG1-CG 4.13Å; V428-F444 HydrophobicContact CG1-CZ 4.36Å; V428-F444 HydrophobicContact CG2-CB 3.8Å; V428-F444 HydrophobicContact CG2-CD1 4.08Å; V428-F444 HydrophobicContact CG2-CD2 4.38Å; V428-F444 HydrophobicContact CG2-CG 3.83Å; I430-F444 HydrophobicContact CD1-CD2 4.28Å; I430-F444 HydrophobicContact CD1-CE2 3.87Å; V439-F444 HydrophobicContact CG1-CB 3.99Å; V439-F444 HydrophobicContact CG1-CD2 4.02Å; V439-F444 HydrophobicContact CG1-CG 4.48Å; S440-F444 PolarHBondContact O-N 3.27Å; R441-F444 PolarHBondContact O-N 2.87Å; F444-L447 PolarHBondContact O-N 3.37Å; F444-W448 PolarHBondContact O-N 2.96Å; F444-F464 HydrophobicContact CE1-CE1 4.12Å; F444-F464 AromaticContact CE2-CE1 3.9Å; F444-F464 HydrophobicContact CE2-CE1 3.9Å; F444-F464 HydrophobicContact CE2-CZ 4.21Å; F444-F464 HydrophobicContact CZ-CD1 4.5Å; F444-F464 AromaticContact CZ-CE1 3.52Å; F444-F464 HydrophobicContact CZ-CE1 3.52Å; F444-F464 HydrophobicContact CZ-CZ 4.16Å; F444-L465 HydrophobicContact CE2-CD2 4.03Å; F444-L465 HydrophobicContact CZ-CD2 3.79Å; F444-V468 HydrophobicContact CD2-CG1 4.4Å; F444-V468 HydrophobicContact CE2-CG1 4.32Å
445	S	96.3	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.5	-41.6	174.9	-57.3	0	0	0	0	112	L169 R441 N442 Y443 W448 L449	L169-S445 WeakPolarHBondContact CA-OG 3.48Å; L169-S445 WeakPolarHBondContact O-CB 3.45Å; L169-S445 PolarHBondContact O-OG 3.47Å; R441-S445 WeakPolarHBondContact O-CB 3.37Å; R441-S445 PolarHBondContact O-N 3.1Å; R441-S445 PolarHBondContact O-OG 2.75Å; N442-S445 WeakPolarHBondContact O-CB 3.46Å; N442-S445 PolarHBondContact O-N 2.84Å; Y443-S445 VanDerWaalsContact C-N 3.3Å; Y443-S445 PolarHBondContact O-N 2.99Å; S445-W448 WeakPolarHBondContact O-CB 3.47Å; S445-W448 PolarHBondContact O-N 3.31Å; S445-L449 PolarHBondContact O-N 2.73Å; S445-L449 VanDerWaalsContact O-N 3.08Å
446	K	97.9	Very high	96.8	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-56.5	-49.6	171.8	-171.5	-163	-175.2	-163.5	0	111.7	W176 L178 N442 Y443 W448 L449 L450 P515 C518	W176-K446 HydrophobicContact CD2-CB 4.19Å; W176-K446 HydrophobicContact CD2-CD 3.76Å; W176-K446 HydrophobicContact CD2-CG 3.63Å; W176-K446 HydrophobicContact CE3-CB 4.23Å; W176-K446 HydrophobicContact CE3-CD 3.5Å; W176-K446 HydrophobicContact CE3-CG 3.84Å; W176-K446 HydrophobicContact CG-CD 4.37Å; W176-K446 HydrophobicContact CG-CG 4.18Å; W176-K446 HydrophobicContact CH2-CB 3.66Å; W176-K446 HydrophobicContact CH2-CD 4.39Å; W176-K446 HydrophobicContact CH2-CG 4.18Å; W176-K446 HydrophobicContact CZ2-CB 3.59Å; W176-K446 HydrophobicContact CZ2-CG 3.98Å; W176-K446 HydrophobicContact CZ3-CB 3.98Å; W176-K446 HydrophobicContact CZ3-CD 3.84Å; W176-K446 HydrophobicContact CZ3-CG 4.1Å; L178-K446 HydrophobicContact CD1-CG 4.47Å; N442-K446 PolarHBondContact O-N 3.01Å; Y443-K446 HydrophobicContact CD1-CD 4.12Å; Y443-K446 HydrophobicContact CE1-CD 4.44Å; Y443-K446 WeakPolarHBondContact O-CB 3.35Å; Y443-K446 PolarHBondContact O-N 3.22Å; K446-W448 VanDerWaalsContact C-N 3.25Å; K446-W448 PolarHBondContact O-N 2.86Å; K446-L449 PolarHBondContact O-N 2.64Å; K446-L449 VanDerWaalsContact O-N 3.14Å; K446-L450 HydrophobicContact CD-CD1 4.36Å; K446-L450 HydrophobicContact CG-CD1 4.16Å; K446-L450 HydrophobicContact CG-CG 4.46Å; K446-L450 WeakPolarHBondContact O-CG 3.29Å; K446-L450 PolarHBondContact O-N 2.92Å; K446-P515 PolarHBondContact NZ-O 3.35Å; K446-C518 VanDerWaalsContact CE-O 3.27Å; K446-C518 WeakPolarHBondContact CE-O 3.02Å; K446-C518 PolarHBondContact NZ-O 3.42Å; K446-C518 PolarHBondContact NZ-SG 2.9Å
447	L	98.5	Very high	96.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-37.1	179.7	-69.6	177	0	0	0	111.4	Y443 F444 L450 Y451 V468 L471 P515 L516 F534	Y443-L447 VanDerWaalsContact O-CG 3.29Å; Y443-L447 WeakPolarHBondContact O-CG 3.49Å; Y443-L447 PolarHBondContact O-N 3.15Å; F444-L447 PolarHBondContact O-N 3.37Å; L447-L450 HydrophobicContact CD2-CD1 4.48Å; L447-Y451 VanDerWaalsContact O-CB 3.23Å; L447-Y451 WeakPolarHBondContact O-CB 3.48Å; L447-Y451 PolarHBondContact O-N 2.8Å; L447-V468 HydrophobicContact CD1-CG1 3.97Å; L447-V468 HydrophobicContact CD1-CG2 4.46Å; L447-L471 HydrophobicContact CD1-CD2 3.99Å; L447-L471 HydrophobicContact CD2-CD2 3.58Å; L447-L471 HydrophobicContact CG-CD2 4.43Å; L447-P515 HydrophobicContact CD2-CB 3.64Å; L447-L516 HydrophobicContact CD1-CD2 4.14Å; L447-L516 HydrophobicContact CD2-CD2 4.3Å; L447-F534 HydrophobicContact CB-CD1 4.23Å; L447-F534 HydrophobicContact CB-CE1 4.07Å; L447-F534 HydrophobicContact CD2-CD1 3.98Å; L447-F534 HydrophobicContact CD2-CE1 4.32Å; L447-F534 HydrophobicContact CD2-CG 4.44Å; L447-F534 WeakPolarHBondContact O-CD1 3.39Å
448	W	97.8	Very high	96.7	Very high	49 Å²	49	37.4 Å²	37.4	19%	0.186	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-45.8	173.7	-174.6	85.9	0	0	0	112.5	L169 F444 S445 K446 Y451 R452 F464	L169-W448 HydrophobicContact CD1-CD2 3.88Å; L169-W448 HydrophobicContact CD1-CE3 4.44Å; L169-W448 HydrophobicContact CD1-CG 4.07Å; L169-W448 HydrophobicContact CD1-CZ2 4.26Å; L169-W448 HydrophobicContact CD2-CB 3.92Å; L169-W448 HydrophobicContact CD2-CD2 4.39Å; L169-W448 HydrophobicContact CD2-CG 3.87Å; F444-W448 PolarHBondContact O-N 2.96Å; S445-W448 WeakPolarHBondContact O-CB 3.47Å; S445-W448 PolarHBondContact O-N 3.31Å; K446-W448 VanDerWaalsContact C-N 3.25Å; K446-W448 PolarHBondContact O-N 2.86Å; W448-Y451 PolarHBondContact O-N 3.2Å; W448-R452 WeakPolarHBondContact O-CB 3.47Å; W448-R452 PolarHBondContact O-N 3.05Å; W448-F464 HydrophobicContact CB-CE1 4.41Å; W448-F464 HydrophobicContact CB-CE2 4.21Å; W448-F464 HydrophobicContact CB-CZ 3.75Å; W448-F464 AromaticContact CD1-CE1 3.98Å; W448-F464 HydrophobicContact CG-CZ 4.33Å
449	L	97.6	Very high	96.3	Very high	46 Å²	46	38.3 Å²	38.3	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-47.6	176.6	-67.7	170.7	0	0	0	111.8	L178 S445 K446 Y451 R452 Y453	L178-L449 HydrophobicContact CD1-CB 3.69Å; L178-L449 HydrophobicContact CD1-CD1 4.22Å; S445-L449 PolarHBondContact O-N 2.73Å; S445-L449 VanDerWaalsContact O-N 3.08Å; K446-L449 PolarHBondContact O-N 2.64Å; K446-L449 VanDerWaalsContact O-N 3.14Å; L449-Y451 VanDerWaalsContact C-N 3.3Å; L449-Y451 PolarHBondContact O-N 3.38Å; L449-R452 PolarHBondContact O-N 2.78Å; L449-Y453 WeakPolarHBondContact O-CD2 3.39Å; L449-Y453 PolarHBondContact O-N 3.31Å
450	L	98.6	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58	-43.8	176.6	-77	176.8	0	0	0	111.8	L178 K446 L447 Y453 S454 P515 R521 F534	L178-L450 HydrophobicContact CD1-CD2 3.99Å; L178-L450 HydrophobicContact CD1-CG 4.05Å; L178-L450 HydrophobicContact CD2-CD2 3.68Å; L178-L450 HydrophobicContact CD2-CG 4.4Å; L178-L450 HydrophobicContact CG-CD2 4.44Å; K446-L450 HydrophobicContact CD-CD1 4.36Å; K446-L450 HydrophobicContact CG-CD1 4.16Å; K446-L450 HydrophobicContact CG-CG 4.46Å; K446-L450 WeakPolarHBondContact O-CG 3.29Å; K446-L450 PolarHBondContact O-N 2.92Å; L447-L450 HydrophobicContact CD2-CD1 4.48Å; L450-Y453 PolarHBondContact O-N 3.45Å; L450-S454 WeakPolarHBondContact O-CB 3.46Å; L450-S454 PolarHBondContact O-N 3.43Å; L450-S454 PolarHBondContact O-OG 3.5Å; L450-P515 HydrophobicContact CD1-CB 4.36Å; L450-R521 HydrophobicContact CD2-CB 3.95Å; L450-F534 HydrophobicContact CB-CB 4.13Å; L450-F534 HydrophobicContact CB-CD1 4.38Å; L450-F534 WeakPolarHBondContact CB-O 3.46Å; L450-F534 WeakPolarHBondContact CD2-O 3.41Å
451	Y	98.6	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-45.9	177.6	-165.5	-94.8	0	0	0	111.4	L447 W448 L449 Y453 S454 C455 D458 F461 F464 R467 Y533 F534	L447-Y451 VanDerWaalsContact O-CB 3.23Å; L447-Y451 WeakPolarHBondContact O-CB 3.48Å; L447-Y451 PolarHBondContact O-N 2.8Å; W448-Y451 PolarHBondContact O-N 3.2Å; L449-Y451 VanDerWaalsContact C-N 3.3Å; L449-Y451 PolarHBondContact O-N 3.38Å; Y451-Y453 VanDerWaalsContact C-N 3.3Å; Y451-Y453 PolarHBondContact O-N 2.98Å; Y451-S454 PolarHBondContact O-N 2.76Å; Y451-S454 VanDerWaalsContact O-N 3.17Å; Y451-C455 HydrophobicContact CD1-CB 3.79Å; Y451-C455 HydrophobicContact CD2-CB 3.95Å; Y451-C455 HydrophobicContact CE1-CB 3.71Å; Y451-C455 HydrophobicContact CE2-CB 3.88Å; Y451-C455 HydrophobicContact CG-CB 3.93Å; Y451-C455 WeakPolarHBondContact O-CB 3.13Å; Y451-C455 PolarHBondContact O-N 3.23Å; Y451-D458 HydrophobicContact CE1-CB 4.17Å; Y451-D458 WeakPolarHBondContact CE1-OD2 3.4Å; Y451-D458 WeakPolarHBondContact OH-CB 3.28Å; Y451-D458 VanDerWaalsContact OH-CG 3.28Å; Y451-D458 PolarHBondContact OH-OD2 2.72Å; Y451-F461 AromaticContact CD1-CD1 3.61Å; Y451-F461 HydrophobicContact CD1-CD1 3.61Å; Y451-F461 AromaticContact CD1-CE1 3.96Å; Y451-F461 HydrophobicContact CD1-CE1 3.96Å; Y451-F461 AromaticContact CE1-CD1 3.69Å; Y451-F461 HydrophobicContact CE1-CD1 3.69Å; Y451-F461 HydrophobicContact CE1-CE1 4.3Å; Y451-F464 HydrophobicContact CD1-CB 4.4Å; Y451-F464 AromaticContact CD1-CD2 3.87Å; Y451-F464 HydrophobicContact CD1-CD2 3.87Å; Y451-F464 AromaticContact CD2-CD2 3.99Å; Y451-F464 HydrophobicContact CD2-CD2 3.99Å; Y451-F464 HydrophobicContact CE1-CB 4.12Å; Y451-F464 HydrophobicContact CE1-CD2 4.35Å; Y451-F464 HydrophobicContact CE2-CD2 4.45Å; Y451-F464 AromaticContact CG-CD2 3.65Å; Y451-F464 HydrophobicContact CG-CD2 3.65Å; Y451-F464 HydrophobicContact CG-CE2 4.24Å; Y451-R467 HydrophobicContact CE2-CB 4.4Å; Y451-R467 WeakPolarHBondContact OH-CD 3.29Å; Y451-R467 PolarHBondContact OH-NH1 3.46Å; Y451-Y533 WeakPolarHBondContact CA-O 3.34Å; Y451-Y533 HydrophobicContact CE2-CG 4.41Å; Y451-F534 HydrophobicContact CD2-CD1 4.08Å; Y451-F534 AromaticContact CD2-CE1 3.62Å; Y451-F534 HydrophobicContact CD2-CE1 3.62Å; Y451-F534 HydrophobicContact CD2-CE2 4.38Å; Y451-F534 AromaticContact CD2-CZ 3.79Å; Y451-F534 HydrophobicContact CD2-CZ 3.79Å; Y451-F534 HydrophobicContact CE2-CZ 4.36Å; Y451-F534 HydrophobicContact CG-CE1 4.2Å
452	R	97.7	Very high	96.3	Very high	144 Å²	144	48.9 Å²	48.9	54%	0.543	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-36.7	176.3	-178.8	178.4	168.8	-165	-3.9	113.1	W448 L449 F461	W448-R452 WeakPolarHBondContact O-CB 3.47Å; W448-R452 PolarHBondContact O-N 3.05Å; L449-R452 PolarHBondContact O-N 2.78Å; R452-F461 HydrophobicContact CB-CE1 4.29Å; R452-F461 HydrophobicContact CB-CZ 4.41Å; R452-F461 HydrophobicContact CG-CZ 4.2Å
453	Y	97.6	Very high	96.5	Very high	116 Å²	116	50 Å²	50	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-75.2	-25.3	177.5	-81	-58.8	0	0	0	113.8	L178 D179 L449 L450 Y451	L178-Y453 HydrophobicContact CB-CE2 4.19Å; D179-Y453 PolarHBondContact OD1-OH 3.09Å; L449-Y453 WeakPolarHBondContact O-CD2 3.39Å; L449-Y453 PolarHBondContact O-N 3.31Å; L450-Y453 PolarHBondContact O-N 3.45Å; Y451-Y453 VanDerWaalsContact C-N 3.3Å; Y451-Y453 PolarHBondContact O-N 2.98Å
454	S	98.2	Very high	96.6	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-118.5	-37.8	-160.9	-53.5	0	0	0	0	113.5	R408 L450 Y451 Y533 G535	R408-S454 PolarHBondContact NH1-O 2.99Å; R408-S454 PolarHBondContact NH2-O 3Å; L450-S454 WeakPolarHBondContact O-CB 3.46Å; L450-S454 PolarHBondContact O-N 3.43Å; L450-S454 PolarHBondContact O-OG 3.5Å; Y451-S454 PolarHBondContact O-N 2.76Å; Y451-S454 VanDerWaalsContact O-N 3.17Å; S454-Y533 WeakPolarHBondContact CB-O 3.13Å; S454-G535 WeakPolarHBondContact OG-CA 3.48Å; S454-G535 PolarHBondContact OG-N 3.4Å
455	C	97.9	Very high	96.7	Very high	15 Å²	15	52 Å²	52	10%	0.101	26%	0.26	C	S	.	.			trans	-77.3	127.4	-179.2	-174.1	0	0	0	0	110.5	Y451 D457 D458 R467	Y451-C455 HydrophobicContact CD1-CB 3.79Å; Y451-C455 HydrophobicContact CD2-CB 3.95Å; Y451-C455 HydrophobicContact CE1-CB 3.71Å; Y451-C455 HydrophobicContact CE2-CB 3.88Å; Y451-C455 HydrophobicContact CG-CB 3.93Å; Y451-C455 WeakPolarHBondContact O-CB 3.13Å; Y451-C455 PolarHBondContact O-N 3.23Å; C455-D457 PolarHBondContact SG-OD1 3.45Å; C455-D458 VanDerWaalsContact SG-CB 3.53Å; C455-R467 PolarHBondContact SG-NH1 3.1Å
456	I	96.9	Very high	96.8	Very high	125 Å²	125	52.2 Å²	52.2	64%	0.641	26%	0.262	S	S	*	.			trans	-119.7	-13.5	-177.4	61.8	169.9	0	0	0	113
457	D	95.4	Very high	96.8	Very high	66 Å²	66	52.3 Å²	52.3	35%	0.353	26%	0.262	S	S	.	.	S	Bend	trans	-92.4	-9.4	-176.8	69.6	-28.3	0	0	0	112.5	C455 R463 R467	C455-D457 PolarHBondContact SG-OD1 3.45Å; D457-R463 PolarHBondContact O-NH2 2.97Å; D457-R463 IonicContact OD2-NH1 3.96Å; D457-R467 IonicContact OD1-CZ 3.59Å; D457-R467 IonicContact OD1-NH1 2.86Å; D457-R467 PolarHBondContact OD1-NH1 2.97Å; D457-R467 IonicContact OD1-NH2 3.38Å; D457-R467 PolarHBondContact OD1-NH2 3.43Å; D457-R467 IonicContact OD2-CZ 3.68Å; D457-R467 IonicContact OD2-NH1 3.7Å; D457-R467 IonicContact OD2-NH2 2.73Å; D457-R467 PolarHBondContact OD2-NH2 2.87Å
458	D	95.6	Very high	96.8	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.043	26%	0.261	C	S	.	.			trans	-121.3	67.2	-171.4	-163.1	43.4	0	0	0	113	Y451 C455 A460 F461 E462 R463	Y451-D458 HydrophobicContact CE1-CB 4.17Å; Y451-D458 WeakPolarHBondContact CE1-OD2 3.4Å; Y451-D458 WeakPolarHBondContact OH-CB 3.28Å; Y451-D458 VanDerWaalsContact OH-CG 3.28Å; Y451-D458 PolarHBondContact OH-OD2 2.72Å; C455-D458 VanDerWaalsContact SG-CB 3.53Å; D458-A460 VanDerWaalsContact C-N 3.28Å; D458-A460 PolarHBondContact O-N 2.54Å; D458-F461 PolarHBondContact O-N 3.13Å; D458-F461 VanDerWaalsContact OD2-C 3.26Å; D458-F461 VanDerWaalsContact OD2-CA 3.24Å; D458-F461 WeakPolarHBondContact OD2-CA 3.47Å; D458-E462 PolarHBondContact OD2-N 3Å; D458-R463 VanDerWaalsContact CA-NH2 3.3Å; D458-R463 IonicContact OD1-CZ 3.58Å; D458-R463 PolarHBondContact OD1-N 2.71Å; D458-R463 IonicContact OD1-NE 2.96Å; D458-R463 PolarHBondContact OD1-NE 3.23Å; D458-R463 IonicContact OD1-NH2 3.19Å; D458-R463 PolarHBondContact OD1-NH2 2.69Å; D458-R463 PolarHBondContact OD2-N 3.02Å
459	S	88.3	Confident	96.9	Very high	117 Å²	117	49.9 Å²	49.9	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.1	-171.8	54.5	0	0	0	0	114.9
460	A	93.1	Very high	96.9	Very high	60 Å²	60	47.7 Å²	47.7	50%	0.496	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.4	179.2	0	0	0	0	0	113.9	D458 E462	D458-A460 VanDerWaalsContact C-N 3.28Å; D458-A460 PolarHBondContact O-N 2.54Å; A460-E462 HydrophobicContact CB-CG 3.9Å; A460-E462 PolarHBondContact O-N 3.48Å
461	F	94.4	Very high	97	Very high	77 Å²	77	47.7 Å²	47.7	34%	0.338	24%	0.241	S	C	.	.			trans	60.5	21.8	-178.2	-53.4	-75.8	0	0	0	115.1	Y451 R452 D458 R463 F464	Y451-F461 AromaticContact CD1-CD1 3.61Å; Y451-F461 HydrophobicContact CD1-CD1 3.61Å; Y451-F461 AromaticContact CD1-CE1 3.96Å; Y451-F461 HydrophobicContact CD1-CE1 3.96Å; Y451-F461 AromaticContact CE1-CD1 3.69Å; Y451-F461 HydrophobicContact CE1-CD1 3.69Å; Y451-F461 HydrophobicContact CE1-CE1 4.3Å; R452-F461 HydrophobicContact CB-CE1 4.29Å; R452-F461 HydrophobicContact CB-CZ 4.41Å; R452-F461 HydrophobicContact CG-CZ 4.2Å; D458-F461 PolarHBondContact O-N 3.13Å; D458-F461 VanDerWaalsContact OD2-C 3.26Å; D458-F461 VanDerWaalsContact OD2-CA 3.24Å; D458-F461 WeakPolarHBondContact OD2-CA 3.47Å; F461-R463 PolarHBondContact O-N 3.4Å; F461-F464 HydrophobicContact CB-CB 4.47Å; F461-F464 WeakPolarHBondContact O-CB 3.45Å; F461-F464 PolarHBondContact O-N 3.04Å
462	E	95.5	Very high	96.9	Very high	160 Å²	160	48 Å²	48	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.7	-177.7	-67.2	173.3	178	0	0	112.5	D458 A460	D458-E462 PolarHBondContact OD2-N 3Å; A460-E462 HydrophobicContact CB-CG 3.9Å; A460-E462 PolarHBondContact O-N 3.48Å
463	R	98	Very high	97	Very high	45 Å²	45	41.9 Å²	41.9	17%	0.17	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	5.2	-177.9	-63.5	175.4	-72.2	-170.9	-3.1	113.3	M416 D457 D458 F461 P466 R467	M416-R463 HydrophobicContact CB-CG 4.13Å; M416-R463 HydrophobicContact CG-CB 3.9Å; M416-R463 HydrophobicContact CG-CG 3.54Å; D457-R463 PolarHBondContact O-NH2 2.97Å; D457-R463 IonicContact OD2-NH1 3.96Å; D458-R463 VanDerWaalsContact CA-NH2 3.3Å; D458-R463 IonicContact OD1-CZ 3.58Å; D458-R463 PolarHBondContact OD1-N 2.71Å; D458-R463 IonicContact OD1-NE 2.96Å; D458-R463 PolarHBondContact OD1-NE 3.23Å; D458-R463 IonicContact OD1-NH2 3.19Å; D458-R463 PolarHBondContact OD1-NH2 2.69Å; D458-R463 PolarHBondContact OD2-N 3.02Å; F461-R463 PolarHBondContact O-N 3.4Å; R463-P466 WeakPolarHBondContact O-CD 3.37Å; R463-P466 WeakPolarHBondContact O-CG 3.48Å; R463-R467 WeakPolarHBondContact O-CB 3.49Å; R463-R467 VanDerWaalsContact O-CG 3.28Å; R463-R467 WeakPolarHBondContact O-CG 3.18Å; R463-R467 PolarHBondContact O-N 2.93Å; R463-R467 VanDerWaalsContact O-N 3.13Å
464	F	98.3	Very high	97	Very high	14 Å²	14	36.3 Å²	36.3	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-56.3	-179.9	172.7	-112.9	0	0	0	112.4	F444 W448 Y451 F461 R467 V468 F534	F444-F464 HydrophobicContact CE1-CE1 4.12Å; F444-F464 AromaticContact CE2-CE1 3.9Å; F444-F464 HydrophobicContact CE2-CE1 3.9Å; F444-F464 HydrophobicContact CE2-CZ 4.21Å; F444-F464 HydrophobicContact CZ-CD1 4.5Å; F444-F464 AromaticContact CZ-CE1 3.52Å; F444-F464 HydrophobicContact CZ-CE1 3.52Å; F444-F464 HydrophobicContact CZ-CZ 4.16Å; W448-F464 HydrophobicContact CB-CE1 4.41Å; W448-F464 HydrophobicContact CB-CE2 4.21Å; W448-F464 HydrophobicContact CB-CZ 3.75Å; W448-F464 AromaticContact CD1-CE1 3.98Å; W448-F464 HydrophobicContact CG-CZ 4.33Å; Y451-F464 HydrophobicContact CD1-CB 4.4Å; Y451-F464 AromaticContact CD1-CD2 3.87Å; Y451-F464 HydrophobicContact CD1-CD2 3.87Å; Y451-F464 AromaticContact CD2-CD2 3.99Å; Y451-F464 HydrophobicContact CD2-CD2 3.99Å; Y451-F464 HydrophobicContact CE1-CB 4.12Å; Y451-F464 HydrophobicContact CE1-CD2 4.35Å; Y451-F464 HydrophobicContact CE2-CD2 4.45Å; Y451-F464 AromaticContact CG-CD2 3.65Å; Y451-F464 HydrophobicContact CG-CD2 3.65Å; Y451-F464 HydrophobicContact CG-CE2 4.24Å; F461-F464 HydrophobicContact CB-CB 4.47Å; F461-F464 WeakPolarHBondContact O-CB 3.45Å; F461-F464 PolarHBondContact O-N 3.04Å; F464-R467 PolarHBondContact O-N 2.87Å; F464-V468 HydrophobicContact CD2-CG2 3.89Å; F464-V468 HydrophobicContact CE1-CG2 4.23Å; F464-V468 HydrophobicContact CE2-CG2 3.49Å; F464-V468 VanDerWaalsContact CE2-CG2 3.49Å; F464-V468 HydrophobicContact CG-CG2 4.42Å; F464-V468 HydrophobicContact CZ-CG2 3.67Å; F464-V468 WeakPolarHBondContact O-CG2 3.45Å; F464-V468 PolarHBondContact O-N 2.85Å; F464-F534 HydrophobicContact CD2-CE1 4.41Å; F464-F534 HydrophobicContact CE2-CE1 4.04Å
465	L	98.2	Very high	96.9	Very high	44 Å²	44	36.8 Å²	36.8	23%	0.23	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-50.4	-178.6	-75	179.1	0	0	0	114.2	M421 F444 R467 V468 W469	M421-L465 HydrophobicContact CB-CD1 4.12Å; M421-L465 HydrophobicContact CB-CD2 4.11Å; M421-L465 HydrophobicContact CE-CD1 4.44Å; M421-L465 HydrophobicContact CE-CD2 4Å; M421-L465 HydrophobicContact CG-CD2 4.16Å; F444-L465 HydrophobicContact CE2-CD2 4.03Å; F444-L465 HydrophobicContact CZ-CD2 3.79Å; L465-R467 VanDerWaalsContact C-N 3.33Å; L465-R467 PolarHBondContact O-N 2.99Å; L465-V468 PolarHBondContact O-N 2.88Å; L465-W469 PolarHBondContact O-N 2.93Å
466	P	98.6	Very high	96.8	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-36.2	177.6	19.7	-29.6	0	0	0	112.9	P199 M416 V419 R463 W469 C470	P199-P466 HydrophobicContact CG-CB 3.81Å; M416-P466 HydrophobicContact CB-CB 3.86Å; M416-P466 HydrophobicContact CB-CG 3.45Å; M416-P466 VanDerWaalsContact CB-CG 3.45Å; M416-P466 HydrophobicContact CG-CB 4.17Å; M416-P466 HydrophobicContact CG-CG 3.79Å; M416-P466 HydrophobicContact SD-CB 4.27Å; M416-P466 HydrophobicContact SD-CG 4.49Å; V419-P466 HydrophobicContact CG2-CB 3.82Å; R463-P466 WeakPolarHBondContact O-CD 3.37Å; R463-P466 WeakPolarHBondContact O-CG 3.48Å; P466-W469 PolarHBondContact O-N 2.87Å; P466-C470 PolarHBondContact O-N 3.25Å; P466-C470 PolarHBondContact O-SG 3.3Å; P466-C470 VanDerWaalsContact O-SG 3.37Å
467	R	98.8	Very high	96.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-38	174.6	-73.9	174.6	173.4	174.4	-6.7	112.4	M416 Y451 C455 D457 R463 F464 L465 C470 L471 Y533 F534	M416-R467 HydrophobicContact CE-CG 4.06Å; Y451-R467 HydrophobicContact CE2-CB 4.4Å; Y451-R467 WeakPolarHBondContact OH-CD 3.29Å; Y451-R467 PolarHBondContact OH-NH1 3.46Å; C455-R467 PolarHBondContact SG-NH1 3.1Å; D457-R467 IonicContact OD1-CZ 3.59Å; D457-R467 IonicContact OD1-NH1 2.86Å; D457-R467 PolarHBondContact OD1-NH1 2.97Å; D457-R467 IonicContact OD1-NH2 3.38Å; D457-R467 PolarHBondContact OD1-NH2 3.43Å; D457-R467 IonicContact OD2-CZ 3.68Å; D457-R467 IonicContact OD2-NH1 3.7Å; D457-R467 IonicContact OD2-NH2 2.73Å; D457-R467 PolarHBondContact OD2-NH2 2.87Å; R463-R467 WeakPolarHBondContact O-CB 3.49Å; R463-R467 VanDerWaalsContact O-CG 3.28Å; R463-R467 WeakPolarHBondContact O-CG 3.18Å; R463-R467 PolarHBondContact O-N 2.93Å; R463-R467 VanDerWaalsContact O-N 3.13Å; F464-R467 PolarHBondContact O-N 2.87Å; L465-R467 VanDerWaalsContact C-N 3.33Å; L465-R467 PolarHBondContact O-N 2.99Å; R467-C470 PolarHBondContact O-N 3.29Å; R467-L471 WeakPolarHBondContact O-CB 3.36Å; R467-L471 PolarHBondContact O-N 3.43Å; R467-Y533 HydrophobicContact CG-CD2 4.43Å; R467-Y533 VanDerWaalsContact CZ-CD1 3.49Å; R467-Y533 VanDerWaalsContact CZ-CZ 3.41Å; R467-Y533 VanDerWaalsContact NH1-CD1 3.28Å; R467-Y533 VanDerWaalsContact NH1-CE1 3.33Å; R467-Y533 PolarHBondContact NH2-OH 3.3Å; R467-F534 HydrophobicContact CB-CE2 4.45Å; R467-F534 HydrophobicContact CB-CZ 4.37Å
468	V	98.8	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-41	172.1	174.3	0	0	0	0	110.9	I430 F444 L447 F464 L465 L471 L472 F534	I430-V468 HydrophobicContact CD1-CB 4.17Å; I430-V468 HydrophobicContact CD1-CG1 3.45Å; I430-V468 VanDerWaalsContact CD1-CG1 3.45Å; F444-V468 HydrophobicContact CD2-CG1 4.4Å; F444-V468 HydrophobicContact CE2-CG1 4.32Å; L447-V468 HydrophobicContact CD1-CG1 3.97Å; L447-V468 HydrophobicContact CD1-CG2 4.46Å; F464-V468 HydrophobicContact CD2-CG2 3.89Å; F464-V468 HydrophobicContact CE1-CG2 4.23Å; F464-V468 HydrophobicContact CE2-CG2 3.49Å; F464-V468 VanDerWaalsContact CE2-CG2 3.49Å; F464-V468 HydrophobicContact CG-CG2 4.42Å; F464-V468 HydrophobicContact CZ-CG2 3.67Å; F464-V468 WeakPolarHBondContact O-CG2 3.45Å; F464-V468 PolarHBondContact O-N 2.85Å; L465-V468 PolarHBondContact O-N 2.88Å; V468-L471 PolarHBondContact O-N 2.87Å; V468-L472 HydrophobicContact CG1-CD1 3.83Å; V468-L472 HydrophobicContact CG1-CG 4.23Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 3.39Å; V468-F534 HydrophobicContact CG2-CE1 3.92Å; V468-F534 HydrophobicContact CG2-CZ 3.74Å
469	W	98.8	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-47.3	175.3	-173.5	93.2	0	0	0	111.3	P199 E202 L203 V419 I430 Y432 E435 V437 L465 P466 L471 L472 R473	P199-W469 HydrophobicContact CB-CE3 3.82Å; P199-W469 HydrophobicContact CB-CZ3 3.91Å; P199-W469 HydrophobicContact CG-CE3 4.42Å; P199-W469 WeakPolarHBondContact O-CZ3 3.49Å; E202-W469 HydrophobicContact CB-CZ3 3.79Å; L203-W469 HydrophobicContact CB-CH2 4.12Å; V419-W469 HydrophobicContact CG1-CB 4.29Å; I430-W469 HydrophobicContact CG2-CB 3.95Å; I430-W469 HydrophobicContact CG2-CG 4.31Å; Y432-W469 AromaticContact CD1-CH2 3.95Å; Y432-W469 HydrophobicContact CD1-CH2 3.95Å; Y432-W469 HydrophobicContact CD1-CZ2 4.14Å; Y432-W469 HydrophobicContact CD1-CZ3 4.18Å; E435-W469 HydrophobicContact CB-CZ2 3.93Å; E435-W469 PolarHBondContact O-NE1 3.44Å; E435-W469 VanDerWaalsContact O-NE1 3.11Å; V437-W469 HydrophobicContact CG2-CG 4.17Å; L465-W469 PolarHBondContact O-N 2.93Å; P466-W469 PolarHBondContact O-N 2.87Å; W469-L471 PolarHBondContact O-N 3.44Å; W469-L472 PolarHBondContact O-N 2.85Å; W469-R473 HydrophobicContact CE3-CB 4.38Å; W469-R473 HydrophobicContact CH2-CB 4.34Å; W469-R473 HydrophobicContact CH2-CG 3.95Å; W469-R473 HydrophobicContact CZ2-CG 4.23Å; W469-R473 HydrophobicContact CZ3-CB 4.28Å; W469-R473 HydrophobicContact CZ3-CG 4.27Å; W469-R473 VanDerWaalsContact O-CB 3.23Å; W469-R473 WeakPolarHBondContact O-CB 3.28Å; W469-R473 PolarHBondContact O-N 3.45Å
470	C	98.9	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-47.4	175.5	-71.5	0	0	0	0	112.3	P197 H198 P199 E202 P466 R467 R473 R474 T530	P197-C470 HydrophobicContact CB-CB 4.19Å; H198-C470 VanDerWaalsContact C-SG 3.6Å; P199-C470 VanDerWaalsContact N-SG 3.44Å; E202-C470 HydrophobicContact CG-CB 3.66Å; E202-C470 VanDerWaalsContact CG-SG 3.58Å; P466-C470 PolarHBondContact O-N 3.25Å; P466-C470 PolarHBondContact O-SG 3.3Å; P466-C470 VanDerWaalsContact O-SG 3.37Å; R467-C470 PolarHBondContact O-N 3.29Å; C470-R473 PolarHBondContact O-N 2.88Å; C470-R474 WeakPolarHBondContact O-CB 3.48Å; C470-R474 PolarHBondContact O-N 3.41Å; C470-T530 HydrophobicContact CB-CG2 4.3Å
471	L	98.8	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-53.2	177.8	171.4	68.7	0	0	0	111.9	L447 R467 V468 W469 R473 R474 Y475 P515 L516 D531 F534	L447-L471 HydrophobicContact CD1-CD2 3.99Å; L447-L471 HydrophobicContact CD2-CD2 3.58Å; L447-L471 HydrophobicContact CG-CD2 4.43Å; R467-L471 WeakPolarHBondContact O-CB 3.36Å; R467-L471 PolarHBondContact O-N 3.43Å; V468-L471 PolarHBondContact O-N 2.87Å; W469-L471 PolarHBondContact O-N 3.44Å; L471-R473 VanDerWaalsContact C-N 3.35Å; L471-R473 PolarHBondContact O-N 3Å; L471-R474 WeakPolarHBondContact O-CB 3.35Å; L471-R474 PolarHBondContact O-N 3.29Å; L471-Y475 HydrophobicContact CD1-CD2 3.7Å; L471-Y475 HydrophobicContact CD1-CE2 3.58Å; L471-Y475 HydrophobicContact CG-CD2 4.46Å; L471-Y475 WeakPolarHBondContact O-CD2 3.33Å; L471-Y475 PolarHBondContact O-N 2.96Å; L471-Y475 VanDerWaalsContact O-N 3.1Å; L471-P515 HydrophobicContact CD1-CB 4.31Å; L471-P515 HydrophobicContact CD1-CG 3.67Å; L471-P515 HydrophobicContact CD2-CB 3.89Å; L471-P515 HydrophobicContact CD2-CG 4.1Å; L471-L516 HydrophobicContact CD2-CD2 4.44Å; L471-D531 WeakPolarHBondContact CD1-OD1 3.24Å; L471-F534 HydrophobicContact CB-CE2 4.29Å; L471-F534 HydrophobicContact CD2-CD2 3.99Å; L471-F534 HydrophobicContact CD2-CE2 3.91Å; L471-F534 HydrophobicContact CD2-CG 4.37Å; L471-F534 HydrophobicContact CD2-CZ 4.22Å
472	L	98.3	Very high	94.6	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-41.5	-178.1	-68	172.9	0	0	0	111.1	I430 V437 V439 V468 W469 R474 Y475 Q476 L516	I430-L472 HydrophobicContact CD1-CD1 4.25Å; V437-L472 HydrophobicContact CB-CB 3.88Å; V437-L472 HydrophobicContact CB-CD1 4.28Å; V437-L472 HydrophobicContact CG1-CB 4.3Å; V437-L472 HydrophobicContact CG2-CB 3.83Å; V437-L472 HydrophobicContact CG2-CD1 3.76Å; V437-L472 HydrophobicContact CG2-CG 4.46Å; V439-L472 HydrophobicContact CB-CD1 3.9Å; V439-L472 HydrophobicContact CB-CD2 4.07Å; V439-L472 HydrophobicContact CG1-CD1 3.84Å; V439-L472 HydrophobicContact CG2-CD2 4.35Å; V468-L472 HydrophobicContact CG1-CD1 3.83Å; V468-L472 HydrophobicContact CG1-CG 4.23Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 3.39Å; W469-L472 PolarHBondContact O-N 2.85Å; L472-R474 VanDerWaalsContact C-N 3.33Å; L472-R474 PolarHBondContact O-N 3.46Å; L472-Y475 PolarHBondContact O-N 3.44Å; L472-Q476 WeakPolarHBondContact O-CB 3.47Å; L472-Q476 PolarHBondContact O-N 2.96Å; L472-L516 HydrophobicContact CD2-CD1 4.26Å; L472-L516 HydrophobicContact CD2-CD2 3.76Å
473	R	98.1	Very high	93.2	Very high	14 Å²	14	26.5 Å²	26.5	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-41.1	176.5	-167	65.5	174.3	-155	-5.3	111	S206 E435 V437 W469 C470 L471 Q476 M477	S206-R473 PolarHBondContact OG-NE 2.82Å; S206-R473 PolarHBondContact OG-NH2 3.3Å; E435-R473 IonicContact OE2-CZ 3.63Å; E435-R473 IonicContact OE2-NH1 3.84Å; E435-R473 PolarHBondContact OE2-NH1 2.94Å; E435-R473 IonicContact OE2-NH2 2.67Å; E435-R473 PolarHBondContact OE2-NH2 3.48Å; V437-R473 HydrophobicContact CG1-CB 4.17Å; W469-R473 HydrophobicContact CE3-CB 4.38Å; W469-R473 HydrophobicContact CH2-CB 4.34Å; W469-R473 HydrophobicContact CH2-CG 3.95Å; W469-R473 HydrophobicContact CZ2-CG 4.23Å; W469-R473 HydrophobicContact CZ3-CB 4.28Å; W469-R473 HydrophobicContact CZ3-CG 4.27Å; W469-R473 VanDerWaalsContact O-CB 3.23Å; W469-R473 WeakPolarHBondContact O-CB 3.28Å; W469-R473 PolarHBondContact O-N 3.45Å; C470-R473 PolarHBondContact O-N 2.88Å; L471-R473 VanDerWaalsContact C-N 3.35Å; L471-R473 PolarHBondContact O-N 3Å; R473-Q476 WeakPolarHBondContact O-CB 3.07Å; R473-Q476 PolarHBondContact O-N 3.47Å; R473-M477 VanDerWaalsContact O-CG 3.29Å; R473-M477 WeakPolarHBondContact O-CG 3.36Å; R473-M477 PolarHBondContact O-N 3.42Å
474	R	98.4	Very high	91.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-53.3	176.9	178.7	64.2	64.5	77.4	-1.4	111.9	E202 C470 L471 L472 Q476 M477 M478 F527 D529 T530	E202-R474 IonicContact OE1-CZ 3.61Å; E202-R474 IonicContact OE1-NE 2.78Å; E202-R474 IonicContact OE1-NH2 3.38Å; E202-R474 PolarHBondContact OE1-NH2 2.95Å; E202-R474 IonicContact OE2-CZ 3.77Å; E202-R474 IonicContact OE2-NE 2.76Å; E202-R474 PolarHBondContact OE2-NE 3.43Å; E202-R474 IonicContact OE2-NH2 2.61Å; E202-R474 PolarHBondContact OE2-NH2 2.79Å; C470-R474 WeakPolarHBondContact O-CB 3.48Å; C470-R474 PolarHBondContact O-N 3.41Å; L471-R474 WeakPolarHBondContact O-CB 3.35Å; L471-R474 PolarHBondContact O-N 3.29Å; L472-R474 VanDerWaalsContact C-N 3.33Å; L472-R474 PolarHBondContact O-N 3.46Å; R474-Q476 VanDerWaalsContact C-N 3.34Å; R474-Q476 PolarHBondContact O-N 3.41Å; R474-M477 PolarHBondContact O-N 2.75Å; R474-M477 VanDerWaalsContact O-N 3.12Å; R474-M478 PolarHBondContact O-N 3.49Å; R474-F527 HydrophobicContact CG-CB 4.45Å; R474-F527 HydrophobicContact CG-CD1 4.29Å; R474-F527 HydrophobicContact CG-CD2 3.49Å; R474-F527 VanDerWaalsContact CG-CD2 3.49Å; R474-F527 HydrophobicContact CG-CE1 4.49Å; R474-F527 HydrophobicContact CG-CE2 3.72Å; R474-F527 HydrophobicContact CG-CG 3.8Å; R474-F527 HydrophobicContact CG-CZ 4.23Å; R474-D529 IonicContact CZ-OD1 2.78Å; R474-D529 IonicContact CZ-OD2 2.81Å; R474-D529 IonicContact NH1-OD1 2.72Å; R474-D529 PolarHBondContact NH1-OD1 3Å; R474-D529 IonicContact NH1-OD2 3.05Å; R474-D529 PolarHBondContact NH1-OD2 3.21Å; R474-D529 IonicContact NH2-OD1 3.27Å; R474-D529 IonicContact NH2-OD2 3.28Å; R474-D529 PolarHBondContact NH2-OD2 2.7Å; R474-T530 HydrophobicContact CB-CG2 4.39Å
475	Y	96.7	Very high	90.6	Very high	13 Å²	13	29.6 Å²	29.6	5%	0.051	16%	0.158	C	C	.	.	H	α-helix	trans	-67.6	-33.6	179.9	-84.1	-83.9	0	0	0	112.6	L471 L472 M477 M478 F479 S514 L516 F527 D531	L471-Y475 HydrophobicContact CD1-CD2 3.7Å; L471-Y475 HydrophobicContact CD1-CE2 3.58Å; L471-Y475 HydrophobicContact CG-CD2 4.46Å; L471-Y475 WeakPolarHBondContact O-CD2 3.33Å; L471-Y475 PolarHBondContact O-N 2.96Å; L471-Y475 VanDerWaalsContact O-N 3.1Å; L472-Y475 PolarHBondContact O-N 3.44Å; Y475-M477 VanDerWaalsContact C-N 3.27Å; Y475-M477 PolarHBondContact O-N 2.77Å; Y475-M478 PolarHBondContact O-N 3.27Å; Y475-F479 AromaticContact CD1-CE2 3.79Å; Y475-F479 HydrophobicContact CD1-CE2 3.79Å; Y475-F479 HydrophobicContact CD1-CZ 4.02Å; Y475-F479 WeakPolarHBondContact O-CD2 3.5Å; Y475-F479 PolarHBondContact O-N 2.99Å; Y475-F479 VanDerWaalsContact O-N 3.16Å; Y475-S514 VanDerWaalsContact CE1-CB 3.49Å; Y475-S514 WeakPolarHBondContact OH-CA 3.44Å; Y475-S514 WeakPolarHBondContact OH-CB 3.38Å; Y475-L516 HydrophobicContact CD2-CD1 4.16Å; Y475-L516 HydrophobicContact CG-CD1 3.97Å; Y475-F527 HydrophobicContact CD1-CE2 4.33Å; Y475-F527 HydrophobicContact CD2-CD2 4.39Å; Y475-F527 HydrophobicContact CE1-CD2 4.34Å; Y475-F527 HydrophobicContact CE1-CE2 4.02Å; Y475-F527 AromaticContact CE2-CD2 3.82Å; Y475-F527 HydrophobicContact CE2-CD2 3.82Å; Y475-F527 HydrophobicContact CE2-CE2 4.21Å; Y475-F527 AromaticContact CZ-CD2 3.79Å; Y475-F527 AromaticContact CZ-CE2 3.95Å; Y475-D531 PolarHBondContact OH-OD2 2.81Å
476	Q	94.6	Very high	89.3	Confident	70 Å²	70	27.8 Å²	27.8	33%	0.327	15%	0.15	S	C	.	.	H	α-helix	trans	-59.4	-38.7	170.7	-167.7	-175	37	0	0	111.6	L472 R473 R474 G480 V481	L472-Q476 WeakPolarHBondContact O-CB 3.47Å; L472-Q476 PolarHBondContact O-N 2.96Å; R473-Q476 WeakPolarHBondContact O-CB 3.07Å; R473-Q476 PolarHBondContact O-N 3.47Å; R474-Q476 VanDerWaalsContact C-N 3.34Å; R474-Q476 PolarHBondContact O-N 3.41Å; Q476-G480 CarbonylContact O-C 3.6Å; Q476-G480 VanDerWaalsContact O-C 3.29Å; Q476-G480 VanDerWaalsContact O-CA 3.29Å; Q476-G480 WeakPolarHBondContact O-CA 3.46Å; Q476-G480 PolarHBondContact O-N 3.38Å; Q476-G480 VanDerWaalsContact O-O 3.05Å; Q476-V481 HydrophobicContact CG-CG1 4.27Å
477	M	95.4	Very high	87.9	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-78.3	-32.4	179.4	-62.2	-53.3	109.7	0	0	113.5	S206 I209 L210 R213 L250 R473 R474 Y475 V481	S206-M477 WeakPolarHBondContact CB-SD 3.32Å; I209-M477 HydrophobicContact CD1-CB 3.8Å; I209-M477 HydrophobicContact CD1-CG 4.49Å; I209-M477 HydrophobicContact CG2-CB 4.34Å; L210-M477 HydrophobicContact CG-SD 4.41Å; R213-M477 PolarHBondContact NH2-O 2.98Å; L250-M477 HydrophobicContact CD2-CB 4.34Å; R473-M477 VanDerWaalsContact O-CG 3.29Å; R473-M477 WeakPolarHBondContact O-CG 3.36Å; R473-M477 PolarHBondContact O-N 3.42Å; R474-M477 PolarHBondContact O-N 2.75Å; R474-M477 VanDerWaalsContact O-N 3.12Å; Y475-M477 VanDerWaalsContact C-N 3.27Å; Y475-M477 PolarHBondContact O-N 2.77Å; M477-V481 HydrophobicContact CE-CG1 3.83Å
478	M	93.4	Very high	86.4	Confident	15 Å²	15	31.2 Å²	31.2	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-48.1	174.1	179.5	60	-174.5	0	0	111.1	R213 N234 M237 L238 L250 R474 Y475 F527	R213-M478 PolarHBondContact NH2-O 3.35Å; R213-M478 VanDerWaalsContact NH2-O 3.14Å; N234-M478 PolarHBondContact OD1-O 2.58Å; M237-M478 WeakPolarHBondContact CE-O 3.5Å; M237-M478 HydrophobicContact CE-SD 3.79Å; M237-M478 HydrophobicContact SD-SD 4.47Å; L238-M478 HydrophobicContact CD2-CE 3.38Å; L238-M478 HydrophobicContact CG-CE 3.72Å; L250-M478 HydrophobicContact CD1-CB 4.47Å; L250-M478 HydrophobicContact CD1-SD 3.63Å; R474-M478 PolarHBondContact O-N 3.49Å; Y475-M478 PolarHBondContact O-N 3.27Å; M478-F527 HydrophobicContact CB-CE2 4.29Å; M478-F527 HydrophobicContact CB-CZ 4.03Å; M478-F527 HydrophobicContact CG-CE2 4.4Å; M478-F527 HydrophobicContact CG-CZ 3.98Å; M478-F527 HydrophobicContact SD-CZ 3.98Å
479	F	86.9	Confident	85.2	Confident	55 Å²	55	31.4 Å²	31.4	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-81.8	-34.6	179.8	-59.7	-46	0	0	0	112.7	N234 Y475 E485 L489	N234-F479 PolarHBondContact ND2-O 3.15Å; Y475-F479 AromaticContact CD1-CE2 3.79Å; Y475-F479 HydrophobicContact CD1-CE2 3.79Å; Y475-F479 HydrophobicContact CD1-CZ 4.02Å; Y475-F479 WeakPolarHBondContact O-CD2 3.5Å; Y475-F479 PolarHBondContact O-N 2.99Å; Y475-F479 VanDerWaalsContact O-N 3.16Å; F479-E485 WeakPolarHBondContact O-CG 3.31Å; F479-L489 HydrophobicContact CD1-CD1 3.92Å; F479-L489 HydrophobicContact CE1-CD1 4.26Å
480	G	85.9	Confident	84.4	Confident	10 Å²	10	32.9 Å²	32.9	10%	0.103	19%	0.189	C	C	.	.			trans	102.6	171.6	-173.2	0	0	0	0	0	112.2	Q476 E485	Q476-G480 CarbonylContact O-C 3.6Å; Q476-G480 VanDerWaalsContact O-C 3.29Å; Q476-G480 VanDerWaalsContact O-CA 3.29Å; Q476-G480 WeakPolarHBondContact O-CA 3.46Å; Q476-G480 PolarHBondContact O-N 3.38Å; Q476-G480 VanDerWaalsContact O-O 3.05Å; G480-E485 VanDerWaalsContact CA-OE2 3.32Å; G480-E485 WeakPolarHBondContact CA-OE2 3.37Å
481	V	81.8	Confident	83.9	Confident	85 Å²	85	33 Å²	33	52%	0.515	19%	0.19	S	C	.	.	S	Bend	trans	-99.3	-4.1	-171.2	-63.9	0	0	0	0	112.9	L210 Q476 M477 E485	L210-V481 HydrophobicContact CD2-CG1 4.12Å; L210-V481 HydrophobicContact CD2-CG2 3.83Å; Q476-V481 HydrophobicContact CG-CG1 4.27Å; M477-V481 HydrophobicContact CE-CG1 3.83Å; V481-E485 PolarHBondContact N-OE2 2.95Å
482	G	74.5	Confident	83.6	Confident	38 Å²	38	33.2 Å²	33.2	39%	0.392	19%	0.192	S	C	.	.	S	Bend	trans	-66.9	150.1	176.8	0	0	0	0	0	112.5	Y484 E485	G482-Y484 PolarHBondContact O-N 2.76Å; G482-E485 PolarHBondContact N-OE2 3.27Å; G482-E485 WeakPolarHBondContact O-CB 3.1Å; G482-E485 PolarHBondContact O-N 2.76Å; G482-E485 VanDerWaalsContact O-N 3.13Å
483	L	66.3	Low	83.5	Confident	134 Å²	134	32.9 Å²	32.9	70%	0.702	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	121.7	172.2	-169.9	73.3	0	0	0	109.2	E485	L483-E485 PolarHBondContact O-N 3.18Å
484	Y	65.6	Low	83.4	Confident	68 Å²	68	32.2 Å²	32.2	27%	0.267	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	16.5	-175.9	-43.6	-66.3	0	0	0	115.7	F63 G482 T487	F63-Y484 HydrophobicContact CE1-CE2 4.11Å; F63-Y484 AromaticContact CZ-CE2 3.95Å; F63-Y484 HydrophobicContact CZ-CE2 3.95Å; G482-Y484 PolarHBondContact O-N 2.76Å; Y484-T487 PolarHBondContact O-OG1 3.29Å; Y484-T487 VanDerWaalsContact O-OG1 3.05Å
485	E	75.2	Confident	83.3	Confident	56 Å²	56	33.7 Å²	33.7	26%	0.262	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	135.8	170.4	-150.4	-177.7	162.4	0	0	109.3	R213 F479 G480 V481 G482 L483 T487	R213-E485 IonicContact CZ-OE1 3.55Å; R213-E485 IonicContact NH1-OE1 3.61Å; R213-E485 PolarHBondContact NH1-OE1 3.43Å; F479-E485 WeakPolarHBondContact O-CG 3.31Å; G480-E485 VanDerWaalsContact CA-OE2 3.32Å; G480-E485 WeakPolarHBondContact CA-OE2 3.37Å; V481-E485 PolarHBondContact N-OE2 2.95Å; G482-E485 PolarHBondContact N-OE2 3.27Å; G482-E485 WeakPolarHBondContact O-CB 3.1Å; G482-E485 PolarHBondContact O-N 2.76Å; G482-E485 VanDerWaalsContact O-N 3.13Å; L483-E485 PolarHBondContact O-N 3.18Å; E485-T487 PolarHBondContact O-N 3.08Å; E485-T487 VanDerWaalsContact O-N 3.15Å
486	G	71.3	Confident	83.3	Confident	6 Å²	6	34.4 Å²	34.4	6%	0.062	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	-8.8	-179.8	0	0	0	0	0	117.1	E231 G488 L489	E231-G486 PolarHBondContact OE1-N 3.29Å; E231-G486 VanDerWaalsContact OE2-CA 3.28Å; E231-G486 WeakPolarHBondContact OE2-CA 3.23Å; E231-G486 PolarHBondContact OE2-N 3.44Å; G486-G488 PolarHBondContact O-N 2.96Å; G486-L489 PolarHBondContact O-N 3.43Å; G486-L489 VanDerWaalsContact O-N 3.16Å
487	T	69.6	Low	83.5	Confident	29 Å²	29	31.1 Å²	31.1	18%	0.178	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.9	179.7	60	0	0	0	0	113.4	Y484 E485	Y484-T487 PolarHBondContact O-OG1 3.29Å; Y484-T487 VanDerWaalsContact O-OG1 3.05Å; E485-T487 PolarHBondContact O-N 3.08Å; E485-T487 VanDerWaalsContact O-N 3.15Å
488	G	68.2	Low	83.6	Confident	50 Å²	50	31 Å²	31	52%	0.515	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.7	177.9	0	0	0	0	0	115	G486 F556	G486-G488 PolarHBondContact O-N 2.96Å; G488-F556 VanDerWaalsContact O-CD2 3.31Å; G488-F556 WeakPolarHBondContact O-CD2 3.43Å
489	L	72.9	Confident	83.9	Confident	5 Å²	5	34.6 Å²	34.6	3%	0.026	20%	0.201	C	C	.	.	S	Bend	trans	-82.3	-29.3	-175.5	-67.7	171.9	0	0	0	113.5	E231 N234 R235 F479 G486 P555 F556	E231-L489 HydrophobicContact CB-CD2 4.3Å; N234-L489 HydrophobicContact CB-CD1 3.64Å; N234-L489 HydrophobicContact CB-CD2 4.29Å; R235-L489 HydrophobicContact CG-CD2 4.18Å; F479-L489 HydrophobicContact CD1-CD1 3.92Å; F479-L489 HydrophobicContact CE1-CD1 4.26Å; G486-L489 PolarHBondContact O-N 3.43Å; G486-L489 VanDerWaalsContact O-N 3.16Å; L489-P555 WeakPolarHBondContact O-CA 3.2Å; L489-F556 PolarHBondContact O-N 3.08Å; L489-F556 VanDerWaalsContact O-N 3.1Å
490	Q	80.7	Confident	84.4	Confident	31 Å²	31	32 Å²	32	15%	0.145	19%	0.19	C	C	.	.			trans	-166.1	135.2	179.5	-161.6	-170.7	3.9	0	0	109.7	F512 N553	Q490-F512 PolarHBondContact NE2-O 3.34Å; Q490-N553 PolarHBondContact NE2-O 3.34Å
491	G	88.3	Confident	85.1	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.01	19%	0.185	C	C	.	.			trans	-107.2	157	165.6	0	0	0	0	0	110.5	N553 R619 Y633	G491-N553 PolarHBondContact O-ND2 2.99Å; G491-R619 CarbonylContact C-O 3.44Å; G491-R619 WeakPolarHBondContact CA-O 3.5Å; G491-Y633 WeakPolarHBondContact CA-OH 3.42Å
492	S	93.7	Very high	85.9	Confident	6 Å²	6	30.8 Å²	30.8	4%	0.042	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-93.6	151.6	176.2	-67.9	0	0	0	0	111.6	N517 Y618 R619	S492-N517 WeakPolarHBondContact OG-CB 3.19Å; S492-Y618 CarbonylContact O-C 3.54Å; S492-Y618 WeakPolarHBondContact O-CA 3.25Å; S492-Y618 WeakPolarHBondContact O-CD1 3.19Å; S492-R619 PolarHBondContact N-O 3.43Å; S492-R619 PolarHBondContact O-N 2.84Å
493	L	96.3	Very high	87	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67.8	151	174.6	-53.9	-179.5	0	0	0	111.1	V497 F498 L501 E551 F584 Y618 R619	L493-V497 HydrophobicContact CB-CB 4.42Å; L493-V497 HydrophobicContact CB-CG1 4.36Å; L493-V497 HydrophobicContact CD1-CG1 4.16Å; L493-F498 HydrophobicContact CB-CD2 4.03Å; L493-F498 HydrophobicContact CB-CE2 3.63Å; L493-F498 HydrophobicContact CB-CZ 3.99Å; L493-F498 HydrophobicContact CD1-CE1 4.38Å; L493-F498 HydrophobicContact CD1-CZ 4.33Å; L493-F498 HydrophobicContact CG-CE2 4.4Å; L493-F498 HydrophobicContact CG-CZ 4.27Å; L493-F498 WeakPolarHBondContact O-CE2 3.07Å; L493-L501 HydrophobicContact CD1-CD1 3.89Å; L493-E551 HydrophobicContact CD1-CG 3.81Å; L493-E551 WeakPolarHBondContact CD1-OE1 3.46Å; L493-F584 HydrophobicContact CD1-CD1 4.23Å; L493-F584 HydrophobicContact CD1-CD2 3.89Å; L493-F584 HydrophobicContact CD1-CE1 4.04Å; L493-F584 HydrophobicContact CD1-CE2 3.69Å; L493-F584 HydrophobicContact CD1-CG 4.18Å; L493-F584 HydrophobicContact CD1-CZ 3.77Å; L493-F584 HydrophobicContact CD2-CB 4.5Å; L493-F584 HydrophobicContact CD2-CD1 3.82Å; L493-F584 HydrophobicContact CD2-CE1 4.19Å; L493-F584 HydrophobicContact CD2-CG 4.07Å; L493-Y618 HydrophobicContact CD2-CD1 4.22Å; L493-Y618 HydrophobicContact CD2-CE1 3.63Å; L493-R619 VanDerWaalsContact O-CZ 3.29Å; L493-R619 PolarHBondContact O-NE 3.06Å; L493-R619 PolarHBondContact O-NH2 3.36Å
494	P	96.3	Very high	88.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-58.5	152	172.5	-22.7	32.6	0	0	0	112.8	H496 V497 F498 E617 Y667	P494-H496 VanDerWaalsContact CB-CE1 3.42Å; P494-H496 WeakPolarHBondContact CB-CE1 3.33Å; P494-H496 PolarHBondContact O-N 3.24Å; P494-V497 HydrophobicContact CB-CG2 4Å; P494-V497 HydrophobicContact CG-CG2 4.03Å; P494-V497 WeakPolarHBondContact O-CB 3.3Å; P494-V497 PolarHBondContact O-N 3.18Å; P494-F498 PolarHBondContact O-N 3.04Å; P494-E617 WeakPolarHBondContact CD-O 3.11Å; P494-E617 HydrophobicContact CG-CB 4.48Å; P494-E617 VanDerWaalsContact CG-O 3.23Å; P494-E617 WeakPolarHBondContact CG-O 3.47Å; P494-Y667 HydrophobicContact CG-CE1 4.34Å
495	V	96.6	Very high	90.1	Very high	30 Å²	30	27.1 Å²	27.1	18%	0.182	14%	0.141	C	C	.	.	H	α-helix	trans	-55.2	-50	-177.5	170.2	0	0	0	0	111.9	Y175 V497 F498 E499 Y519	Y175-V495 HydrophobicContact CD1-CG2 3.96Å; V495-V497 PolarHBondContact O-N 2.91Å; V495-F498 WeakPolarHBondContact O-CB 3.31Å; V495-F498 PolarHBondContact O-N 2.87Å; V495-F498 VanDerWaalsContact O-N 3.08Å; V495-E499 WeakPolarHBondContact CG1-OE1 3.42Å; V495-E499 WeakPolarHBondContact O-CG 3.26Å; V495-E499 PolarHBondContact O-N 3.14Å; V495-Y519 HydrophobicContact CG1-CE2 4.16Å
496	H	96.3	Very high	91.2	Very high	29 Å²	29	25.2 Å²	25.2	13%	0.134	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-22.1	-179.9	54.2	65.5	0	0	0	113.6	P494 A500 A666	P494-H496 VanDerWaalsContact CB-CE1 3.42Å; P494-H496 WeakPolarHBondContact CB-CE1 3.33Å; P494-H496 PolarHBondContact O-N 3.24Å; H496-A500 WeakPolarHBondContact O-CB 3.42Å; H496-A500 PolarHBondContact O-N 3.19Å; H496-A500 VanDerWaalsContact O-N 3.11Å; H496-A666 PolarHBondContact CE1-O 2.95Å; H496-A666 PolarHBondContact ND1-O 3.35Å
497	V	98.2	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.6	-44.2	173.4	178.4	0	0	0	0	109.7	L493 P494 V495 E499 A500 L501 L663 Y667	L493-V497 HydrophobicContact CB-CB 4.42Å; L493-V497 HydrophobicContact CB-CG1 4.36Å; L493-V497 HydrophobicContact CD1-CG1 4.16Å; P494-V497 HydrophobicContact CB-CG2 4Å; P494-V497 HydrophobicContact CG-CG2 4.03Å; P494-V497 WeakPolarHBondContact O-CB 3.3Å; P494-V497 PolarHBondContact O-N 3.18Å; V495-V497 PolarHBondContact O-N 2.91Å; V497-E499 VanDerWaalsContact C-N 3.33Å; V497-E499 PolarHBondContact O-N 3.23Å; V497-A500 PolarHBondContact O-N 3.07Å; V497-L501 HydrophobicContact CG1-CD1 4.15Å; V497-L501 HydrophobicContact CG1-CG 4.36Å; V497-L501 WeakPolarHBondContact O-CB 3.46Å; V497-L501 VanDerWaalsContact O-CG 3.28Å; V497-L501 WeakPolarHBondContact O-CG 3.29Å; V497-L501 PolarHBondContact O-N 3.36Å; V497-L663 HydrophobicContact CG1-CD1 4.2Å; V497-Y667 HydrophobicContact CB-CE2 4.42Å; V497-Y667 HydrophobicContact CG1-CE2 3.81Å; V497-Y667 HydrophobicContact CG2-CD1 3.89Å; V497-Y667 HydrophobicContact CG2-CD2 3.92Å; V497-Y667 HydrophobicContact CG2-CE1 3.66Å; V497-Y667 HydrophobicContact CG2-CE2 3.65Å; V497-Y667 HydrophobicContact CG2-CG 4.04Å
498	F	98.6	Very high	94	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-41.4	173.5	-80	-67.7	0	0	0	112.4	L493 P494 V495 A500 L501 H502 E510 Y519 F520 E551	L493-F498 HydrophobicContact CB-CD2 4.03Å; L493-F498 HydrophobicContact CB-CE2 3.63Å; L493-F498 HydrophobicContact CB-CZ 3.99Å; L493-F498 HydrophobicContact CD1-CE1 4.38Å; L493-F498 HydrophobicContact CD1-CZ 4.33Å; L493-F498 HydrophobicContact CG-CE2 4.4Å; L493-F498 HydrophobicContact CG-CZ 4.27Å; L493-F498 WeakPolarHBondContact O-CE2 3.07Å; P494-F498 PolarHBondContact O-N 3.04Å; V495-F498 WeakPolarHBondContact O-CB 3.31Å; V495-F498 PolarHBondContact O-N 2.87Å; V495-F498 VanDerWaalsContact O-N 3.08Å; F498-A500 VanDerWaalsContact C-N 3.33Å; F498-A500 PolarHBondContact O-N 3.39Å; F498-L501 HydrophobicContact CD1-CD1 4.43Å; F498-L501 PolarHBondContact O-N 3.13Å; F498-H502 WeakPolarHBondContact O-CB 3.34Å; F498-H502 PolarHBondContact O-N 3.46Å; F498-E510 HydrophobicContact CE1-CG 3.76Å; F498-E510 HydrophobicContact CZ-CG 4.11Å; F498-Y519 HydrophobicContact CB-CD1 3.54Å; F498-Y519 HydrophobicContact CB-CD2 3.71Å; F498-Y519 HydrophobicContact CB-CE1 3.62Å; F498-Y519 HydrophobicContact CB-CE2 3.81Å; F498-Y519 HydrophobicContact CB-CG 3.57Å; F498-Y519 HydrophobicContact CD1-CD1 4.06Å; F498-Y519 HydrophobicContact CD1-CG 4.05Å; F498-Y519 HydrophobicContact CD2-CD1 4.46Å; F498-Y519 AromaticContact CD2-CD2 3.86Å; F498-Y519 HydrophobicContact CD2-CD2 3.86Å; F498-Y519 AromaticContact CD2-CG 3.73Å; F498-Y519 HydrophobicContact CD2-CG 3.73Å; F498-Y519 HydrophobicContact CE2-CG 4.37Å; F498-Y519 AromaticContact CG-CD1 3.8Å; F498-Y519 HydrophobicContact CG-CD1 3.8Å; F498-Y519 AromaticContact CG-CD2 3.93Å; F498-Y519 HydrophobicContact CG-CD2 3.93Å; F498-Y519 HydrophobicContact CG-CE1 4.39Å; F498-Y519 AromaticContact CG-CG 3.52Å; F498-Y519 HydrophobicContact CG-CG 3.52Å; F498-F520 AromaticContact CD1-CE2 3.86Å; F498-F520 HydrophobicContact CD1-CE2 3.86Å; F498-F520 HydrophobicContact CD1-CZ 4.29Å; F498-F520 HydrophobicContact CE1-CE2 4.26Å; F498-E551 HydrophobicContact CE1-CG 4.12Å
499	E	98.4	Very high	95.4	Very high	92 Å²	92	21.2 Å²	21.2	43%	0.43	10%	0.101	S	C	.	.	H	α-helix	trans	-58.6	-44.1	174.5	-68.9	170.3	178.7	0	0	111.9	V495 V497 R503 Y519	V495-E499 WeakPolarHBondContact CG1-OE1 3.42Å; V495-E499 WeakPolarHBondContact O-CG 3.26Å; V495-E499 PolarHBondContact O-N 3.14Å; V497-E499 VanDerWaalsContact C-N 3.33Å; V497-E499 PolarHBondContact O-N 3.23Å; E499-R503 VanDerWaalsContact O-CB 3.28Å; E499-R503 WeakPolarHBondContact O-CB 3.45Å; E499-R503 PolarHBondContact O-N 3.04Å; E499-Y519 WeakPolarHBondContact CG-OH 3.45Å
500	A	98.5	Very high	96.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-44.1	175.8	0	0	0	0	0	111.8	H496 V497 F498 H502 R503 L504 L663 A666	H496-A500 WeakPolarHBondContact O-CB 3.42Å; H496-A500 PolarHBondContact O-N 3.19Å; H496-A500 VanDerWaalsContact O-N 3.11Å; V497-A500 PolarHBondContact O-N 3.07Å; F498-A500 VanDerWaalsContact C-N 3.33Å; F498-A500 PolarHBondContact O-N 3.39Å; A500-H502 VanDerWaalsContact C-N 3.33Å; A500-H502 PolarHBondContact O-N 3.18Å; A500-R503 PolarHBondContact O-N 3.34Å; A500-L504 HydrophobicContact CB-CD1 4.1Å; A500-L504 WeakPolarHBondContact O-CB 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.35Å; A500-L504 PolarHBondContact O-N 3.12Å; A500-L663 HydrophobicContact CB-CD1 4.14Å; A500-A666 HydrophobicContact CB-CB 3.93Å
501	L	98.8	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.9	-44	176.9	-73	173.4	0	0	0	111.8	L493 V497 F498 F505 G506 V507 E551 I582 F584 L663	L493-L501 HydrophobicContact CD1-CD1 3.89Å; V497-L501 HydrophobicContact CG1-CD1 4.15Å; V497-L501 HydrophobicContact CG1-CG 4.36Å; V497-L501 WeakPolarHBondContact O-CB 3.46Å; V497-L501 VanDerWaalsContact O-CG 3.28Å; V497-L501 WeakPolarHBondContact O-CG 3.29Å; V497-L501 PolarHBondContact O-N 3.36Å; F498-L501 HydrophobicContact CD1-CD1 4.43Å; F498-L501 PolarHBondContact O-N 3.13Å; L501-F505 HydrophobicContact CD2-CD2 4.18Å; L501-F505 CarbonylContact O-C 3.54Å; L501-F505 WeakPolarHBondContact O-CA 3.4Å; L501-F505 WeakPolarHBondContact O-CB 3.5Å; L501-F505 PolarHBondContact O-N 3.17Å; L501-G506 PolarHBondContact O-N 3.16Å; L501-V507 HydrophobicContact CB-CB 3.98Å; L501-V507 HydrophobicContact CB-CG1 4.44Å; L501-V507 HydrophobicContact CB-CG2 3.97Å; L501-V507 PolarHBondContact O-N 3.27Å; L501-E551 HydrophobicContact CD1-CB 4.32Å; L501-E551 HydrophobicContact CD1-CG 3.85Å; L501-I582 HydrophobicContact CD2-CD1 3.84Å; L501-I582 HydrophobicContact CD2-CG2 4.21Å; L501-F584 HydrophobicContact CD1-CE2 4.03Å; L501-F584 HydrophobicContact CD1-CZ 4.06Å; L501-F584 HydrophobicContact CD2-CE2 4.44Å; L501-F584 HydrophobicContact CD2-CZ 4.25Å; L501-L663 HydrophobicContact CD2-CD1 3.99Å; L501-L663 HydrophobicContact CD2-CD2 4.37Å; L501-L663 HydrophobicContact CG-CD1 4.21Å
502	H	98.8	Very high	98	Very high	69 Å²	69	20.9 Å²	20.9	32%	0.319	10%	0.099	S	C	.	.	H	α-helix	trans	-63.8	-53.4	175.8	179.2	61.9	0	0	0	111.7	I180 F498 A500 L504 G506 V507 F520	I180-H502 HydrophobicContact CD1-CB 4.27Å; I180-H502 VanDerWaalsContact CG2-CE1 3.47Å; I180-H502 WeakPolarHBondContact CG2-CE1 3.5Å; F498-H502 WeakPolarHBondContact O-CB 3.34Å; F498-H502 PolarHBondContact O-N 3.46Å; A500-H502 VanDerWaalsContact C-N 3.33Å; A500-H502 PolarHBondContact O-N 3.18Å; H502-L504 PolarHBondContact O-N 2.55Å; H502-G506 WeakPolarHBondContact O-CA 3.43Å; H502-G506 PolarHBondContact O-N 3.36Å; H502-V507 WeakPolarHBondContact CA-O 3.45Å; H502-V507 WeakPolarHBondContact CB-O 3.21Å; H502-V507 PolarHBondContact ND1-O 2.78Å; H502-F520 HydrophobicContact CB-CE1 4.37Å; H502-F520 HydrophobicContact CB-CZ 4.44Å
503	R	98.6	Very high	98.2	Very high	149 Å²	149	21 Å²	21	56%	0.562	10%	0.1	S	C	*	.	H	α-helix	trans	-63.3	-42.8	-175.7	-175.2	178.7	70.2	-113.3	4.1	112.9	E499 A500 E662	E499-R503 VanDerWaalsContact O-CB 3.28Å; E499-R503 WeakPolarHBondContact O-CB 3.45Å; E499-R503 PolarHBondContact O-N 3.04Å; A500-R503 PolarHBondContact O-N 3.34Å; R503-E662 IonicContact CZ-OE2 3.61Å; R503-E662 IonicContact NE-OE2 3.66Å; R503-E662 IonicContact NH2-OE2 2.73Å; R503-E662 PolarHBondContact NH2-OE2 3.41Å
504	L	98.7	Very high	98.3	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.073	10%	0.102	C	C	.	.	H	α-helix	trans	-90.6	-36.7	-169.9	-58.4	171.7	0	0	0	112.7	A500 H502 R659 E662 L663	A500-L504 HydrophobicContact CB-CD1 4.1Å; A500-L504 WeakPolarHBondContact O-CB 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.35Å; A500-L504 PolarHBondContact O-N 3.12Å; H502-L504 PolarHBondContact O-N 2.55Å; L504-R659 HydrophobicContact CB-CB 4.45Å; L504-R659 HydrophobicContact CB-CG 4.37Å; L504-R659 WeakPolarHBondContact CD1-O 3.41Å; L504-R659 HydrophobicContact CD2-CG 4.33Å; L504-R659 PolarHBondContact O-NE 2.89Å; L504-E662 HydrophobicContact CD1-CB 3.65Å; L504-E662 HydrophobicContact CD2-CB 4.27Å; L504-E662 WeakPolarHBondContact CD2-OE2 3.34Å; L504-L663 HydrophobicContact CD1-CB 4.38Å
505	F	98.8	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-122	8.4	-171.9	-53.7	-69	0	0	0	113.1	L501 V507 S549 I582 F643 W653 P655 R659 L663	L501-F505 HydrophobicContact CD2-CD2 4.18Å; L501-F505 CarbonylContact O-C 3.54Å; L501-F505 WeakPolarHBondContact O-CA 3.4Å; L501-F505 WeakPolarHBondContact O-CB 3.5Å; L501-F505 PolarHBondContact O-N 3.17Å; F505-V507 HydrophobicContact CB-CG2 4.23Å; F505-V507 PolarHBondContact O-N 3.05Å; F505-V507 VanDerWaalsContact O-N 3.13Å; F505-S549 VanDerWaalsContact O-CB 3.29Å; F505-S549 WeakPolarHBondContact O-CB 3.27Å; F505-S549 PolarHBondContact O-OG 3.45Å; F505-I582 HydrophobicContact CB-CD1 3.65Å; F505-I582 HydrophobicContact CD2-CD1 3.88Å; F505-I582 HydrophobicContact CG-CD1 3.75Å; F505-F643 HydrophobicContact CD1-CE1 4.04Å; F505-F643 HydrophobicContact CD2-CE1 4.23Å; F505-F643 AromaticContact CE1-CE1 3.8Å; F505-F643 HydrophobicContact CE1-CE1 3.8Å; F505-F643 AromaticContact CE2-CE1 3.99Å; F505-F643 HydrophobicContact CE2-CE1 3.99Å; F505-F643 HydrophobicContact CE2-CZ 4.2Å; F505-F643 HydrophobicContact CG-CE1 4.25Å; F505-F643 AromaticContact CZ-CE1 3.75Å; F505-F643 HydrophobicContact CZ-CE1 3.75Å; F505-F643 HydrophobicContact CZ-CZ 4.04Å; F505-W653 VanDerWaalsContact O-CG 3.27Å; F505-W653 PolarHBondContact O-NE1 3.46Å; F505-P655 HydrophobicContact CE1-CB 4.39Å; F505-R659 HydrophobicContact CE1-CB 3.79Å; F505-R659 HydrophobicContact CE1-CG 4.44Å; F505-R659 HydrophobicContact CZ-CB 3.65Å; F505-L663 HydrophobicContact CE2-CB 4.32Å; F505-L663 HydrophobicContact CE2-CD2 4.03Å
506	G	98.8	Very high	98.5	Very high	16 Å²	16	20.1 Å²	20.1	17%	0.165	10%	0.095	C	C	.	.			trans	63.1	18.3	178	0	0	0	0	0	113.9	N183 L501 H502 S508 S549	N183-G506 PolarHBondContact ND2-O 3.1Å; L501-G506 PolarHBondContact O-N 3.16Å; H502-G506 WeakPolarHBondContact O-CA 3.43Å; H502-G506 PolarHBondContact O-N 3.36Å; G506-S508 PolarHBondContact O-N 3.29Å; G506-S549 WeakPolarHBondContact O-CB 3.46Å
507	V	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.			trans	-58.6	130.9	179.5	173.5	0	0	0	0	108.9	L501 H502 F505 F520 S549 E551 I582	L501-V507 HydrophobicContact CB-CB 3.98Å; L501-V507 HydrophobicContact CB-CG1 4.44Å; L501-V507 HydrophobicContact CB-CG2 3.97Å; L501-V507 PolarHBondContact O-N 3.27Å; H502-V507 WeakPolarHBondContact CA-O 3.45Å; H502-V507 WeakPolarHBondContact CB-O 3.21Å; H502-V507 PolarHBondContact ND1-O 2.78Å; F505-V507 HydrophobicContact CB-CG2 4.23Å; F505-V507 PolarHBondContact O-N 3.05Å; F505-V507 VanDerWaalsContact O-N 3.13Å; V507-F520 HydrophobicContact CG1-CE2 3.84Å; V507-F520 HydrophobicContact CG1-CZ 3.98Å; V507-F520 WeakPolarHBondContact O-CZ 3.39Å; V507-S549 WeakPolarHBondContact CA-O 3.09Å; V507-E551 HydrophobicContact CG1-CB 3.76Å; V507-I582 HydrophobicContact CG2-CD1 3.89Å
508	S	98.9	Very high	98.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	9%	0.091	C	C	.	.			trans	-135.5	6.4	178.3	71.8	0	0	0	0	113.4	Q181 N183 G506 F520 Q522 S549	Q181-S508 WeakPolarHBondContact O-CB 3.07Å; N183-S508 PolarHBondContact N-OG 2.85Å; N183-S508 PolarHBondContact OD1-OG 3.33Å; G506-S508 PolarHBondContact O-N 3.29Å; S508-F520 WeakPolarHBondContact O-CG 3.33Å; S508-Q522 WeakPolarHBondContact O-CG 3.34Å; S508-Q522 PolarHBondContact O-NE2 3.47Å; S508-S549 PolarHBondContact N-O 2.72Å; S508-S549 VanDerWaalsContact N-O 3.11Å
509	F	98.9	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	137	-168.6	-166.1	-72.2	0	0	0	111	A184 Q522 C524 R537 F543 F550 E551	A184-F509 HydrophobicContact CB-CD2 4.1Å; F509-Q522 WeakPolarHBondContact CA-O 3.32Å; F509-Q522 HydrophobicContact CB-CG 4.4Å; F509-Q522 HydrophobicContact CD2-CB 3.66Å; F509-Q522 HydrophobicContact CD2-CG 3.68Å; F509-Q522 HydrophobicContact CE2-CB 3.86Å; F509-Q522 HydrophobicContact CE2-CG 4.39Å; F509-Q522 HydrophobicContact CG-CG 4.38Å; F509-C524 HydrophobicContact CE1-CB 4.17Å; F509-C524 HydrophobicContact CZ-CB 4.5Å; F509-R537 HydrophobicContact CE2-CB 4.38Å; F509-R537 HydrophobicContact CE2-CG 3.88Å; F509-R537 HydrophobicContact CZ-CB 3.96Å; F509-R537 HydrophobicContact CZ-CG 3.98Å; F509-F543 HydrophobicContact CE1-CD1 4.46Å; F509-F543 HydrophobicContact CE1-CE1 4.2Å; F509-F543 HydrophobicContact CE2-CE1 4.26Å; F509-F543 HydrophobicContact CE2-CZ 4.08Å; F509-F543 HydrophobicContact CZ-CD1 4.29Å; F509-F543 AromaticContact CZ-CE1 3.89Å; F509-F543 HydrophobicContact CZ-CE1 3.89Å; F509-F543 HydrophobicContact CZ-CZ 4.05Å; F509-F550 HydrophobicContact CB-CD1 3.59Å; F509-F550 HydrophobicContact CB-CE1 3.79Å; F509-F550 AromaticContact CD1-CD1 3.51Å; F509-F550 HydrophobicContact CD1-CD1 3.51Å; F509-F550 AromaticContact CD1-CE1 3.76Å; F509-F550 HydrophobicContact CD1-CE1 3.76Å; F509-F550 HydrophobicContact CD2-CE1 4.19Å; F509-F550 HydrophobicContact CE1-CD1 4.36Å; F509-F550 HydrophobicContact CE1-CE1 4.39Å; F509-F550 AromaticContact CG-CD1 3.68Å; F509-F550 HydrophobicContact CG-CD1 3.68Å; F509-F550 AromaticContact CG-CE1 3.65Å; F509-F550 HydrophobicContact CG-CE1 3.65Å; F509-F550 WeakPolarHBondContact O-CA 3.37Å; F509-E551 PolarHBondContact O-N 3.05Å
510	E	98.9	Very high	98.5	Very high	4 Å²	4	15 Å²	15	2%	0.019	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.5	173.2	-71.4	155.4	-87.2	0	0	110.8	F498 F512 A513 C518 Y519 F520 Y523 C524	F498-E510 HydrophobicContact CE1-CG 3.76Å; F498-E510 HydrophobicContact CZ-CG 4.11Å; E510-F512 VanDerWaalsContact C-N 3.3Å; E510-F512 PolarHBondContact O-N 3.17Å; E510-A513 HydrophobicContact CB-CB 3.98Å; E510-C518 WeakPolarHBondContact OE1-CA 3.49Å; E510-C518 WeakPolarHBondContact OE2-CA 3.34Å; E510-Y519 VanDerWaalsContact CD-N 3.32Å; E510-Y519 WeakPolarHBondContact OE1-CA 3.36Å; E510-Y519 PolarHBondContact OE1-N 3.3Å; E510-Y519 PolarHBondContact OE2-N 3.42Å; E510-F520 HydrophobicContact CG-CD2 3.98Å; E510-F520 HydrophobicContact CG-CE2 4.38Å; E510-F520 PolarHBondContact OE1-N 3.02Å; E510-Y523 CarbonylContact O-C 3.54Å; E510-Y523 WeakPolarHBondContact O-CA 3.44Å; E510-Y523 WeakPolarHBondContact O-CB 3.32Å; E510-C524 PolarHBondContact O-N 3.38Å
511	C	98.9	Very high	98.5	Very high	3 Å²	3	17 Å²	17	2%	0.02	8%	0.078	C	C	.	.	S	Bend	trans	-71.2	-23.2	178.2	-72.1	0	0	0	0	113.1	C524 C540 E551 A552 F568	C511-C524 WeakPolarHBondContact O-CB 3.47Å; C511-C540 WeakPolarHBondContact O-CB 3.49Å; C511-E551 WeakPolarHBondContact CB-O 3.47Å; C511-E551 PolarHBondContact N-O 3.26Å; C511-A552 HydrophobicContact CB-CB 3.78Å; C511-F568 HydrophobicContact CB-CZ 4.16Å
512	F	98.6	Very high	98.5	Very high	23 Å²	23	17 Å²	17	10%	0.101	8%	0.078	C	C	.	.	S	Bend	trans	-140.6	94.3	-178.4	-62.4	-87.4	0	0	0	110.9	Q490 E510 C540 A552 P554 L560 M564 F568	Q490-F512 PolarHBondContact NE2-O 3.34Å; E510-F512 VanDerWaalsContact C-N 3.3Å; E510-F512 PolarHBondContact O-N 3.17Å; F512-C540 HydrophobicContact CD1-CB 4.37Å; F512-C540 HydrophobicContact CE1-CB 3.79Å; F512-C540 HydrophobicContact CE2-CB 4.35Å; F512-C540 HydrophobicContact CZ-CB 3.77Å; F512-A552 HydrophobicContact CD2-CB 4.25Å; F512-A552 HydrophobicContact CE2-CB 4.33Å; F512-P554 HydrophobicContact CD1-CB 4.31Å; F512-P554 HydrophobicContact CD2-CB 3.9Å; F512-P554 HydrophobicContact CE1-CB 4.29Å; F512-P554 HydrophobicContact CE2-CB 3.91Å; F512-P554 HydrophobicContact CG-CB 4.12Å; F512-P554 HydrophobicContact CZ-CB 4.09Å; F512-L560 HydrophobicContact CE1-CD1 4.2Å; F512-L560 HydrophobicContact CE1-CD2 4.17Å; F512-L560 HydrophobicContact CE1-CG 4.29Å; F512-M564 HydrophobicContact CD2-SD 4.37Å; F512-M564 HydrophobicContact CE2-CG 3.79Å; F512-M564 HydrophobicContact CE2-SD 3.36Å; F512-M564 WeakPolarHBondContact CE2-SD 3.31Å; F512-M564 HydrophobicContact CZ-CB 4.07Å; F512-M564 HydrophobicContact CZ-CG 3.77Å; F512-M564 HydrophobicContact CZ-SD 3.79Å; F512-F568 HydrophobicContact CE2-CZ 4.32Å
513	A	98.1	Very high	98.5	Very high	9 Å²	9	13.7 Å²	13.7	7%	0.074	6%	0.063	C	C	.	.			trans	-144.5	-167.5	177.8	0	0	0	0	0	111.8	E510 N517 C518 Y523 C524 S525	E510-A513 HydrophobicContact CB-CB 3.98Å; A513-N517 WeakPolarHBondContact CA-OD1 3.28Å; A513-C518 HydrophobicContact CB-CB 4.03Å; A513-Y523 HydrophobicContact CB-CD2 4.02Å; A513-Y523 HydrophobicContact CB-CG 4.1Å; A513-C524 PolarHBondContact N-O 2.92Å; A513-S525 WeakPolarHBondContact O-CA 3.4Å; A513-S525 WeakPolarHBondContact O-CB 3.41Å
514	S	98.4	Very high	98.6	Very high	6 Å²	6	6.7 Å²	6.7	4%	0.042	4%	0.037	C	C	.	.			trans	-145.7	161.8	174.3	65.1	0	0	0	0	108.7	Y475 L516 N517 C518	Y475-S514 VanDerWaalsContact CE1-CB 3.49Å; Y475-S514 WeakPolarHBondContact OH-CA 3.44Å; Y475-S514 WeakPolarHBondContact OH-CB 3.38Å; S514-L516 PolarHBondContact O-N 2.99Å; S514-L516 PolarHBondContact OG-N 3.26Å; S514-N517 PolarHBondContact N-OD1 2.73Å; S514-N517 PolarHBondContact O-N 2.92Å; S514-N517 PolarHBondContact O-OD1 3.49Å; S514-N517 PolarHBondContact OG-N 3Å; S514-N517 PolarHBondContact OG-OD1 3.19Å; S514-C518 WeakPolarHBondContact O-CB 3.5Å; S514-C518 PolarHBondContact O-N 2.83Å
515	P	98.7	Very high	98.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.8	169.6	-22.1	31.5	0	0	0	112.9	K446 L447 L450 L471 Y523 D531 F534	K446-P515 PolarHBondContact NZ-O 3.35Å; L447-P515 HydrophobicContact CD2-CB 3.64Å; L450-P515 HydrophobicContact CD1-CB 4.36Å; L471-P515 HydrophobicContact CD1-CB 4.31Å; L471-P515 HydrophobicContact CD1-CG 3.67Å; L471-P515 HydrophobicContact CD2-CB 3.89Å; L471-P515 HydrophobicContact CD2-CG 4.1Å; P515-Y523 WeakPolarHBondContact CA-OH 3.29Å; P515-Y523 WeakPolarHBondContact CB-OH 3.46Å; P515-Y523 HydrophobicContact CG-CE2 4.42Å; P515-Y523 WeakPolarHBondContact CG-OH 3.38Å; P515-D531 HydrophobicContact CG-CB 3.79Å; P515-F534 HydrophobicContact CB-CB 3.77Å; P515-F534 HydrophobicContact CB-CG 4.29Å; P515-F534 HydrophobicContact CG-CB 3.84Å; P515-F534 HydrophobicContact CG-CG 4.42Å
516	L	97.3	Very high	98.5	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.021	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-21.9	-178.4	-56.5	178.5	0	0	0	113.2	Y443 L447 L471 L472 Y475 S514 Q623 H624	Y443-L516 WeakPolarHBondContact CD1-O 3.24Å; Y443-L516 WeakPolarHBondContact CE1-O 3.21Å; L447-L516 HydrophobicContact CD1-CD2 4.14Å; L447-L516 HydrophobicContact CD2-CD2 4.3Å; L471-L516 HydrophobicContact CD2-CD2 4.44Å; L472-L516 HydrophobicContact CD2-CD1 4.26Å; L472-L516 HydrophobicContact CD2-CD2 3.76Å; Y475-L516 HydrophobicContact CD2-CD1 4.16Å; Y475-L516 HydrophobicContact CG-CD1 3.97Å; S514-L516 PolarHBondContact O-N 2.99Å; S514-L516 PolarHBondContact OG-N 3.26Å; L516-Q623 PolarHBondContact O-NE2 3.05Å; L516-H624 HydrophobicContact CB-CB 4.13Å; L516-H624 HydrophobicContact CD2-CB 4.18Å
517	N	96.8	Very high	98.5	Very high	12 Å²	12	8.1 Å²	8.1	6%	0.064	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-8.2	-175	76.5	-2.6	0	0	0	117.4	S492 A513 S514	S492-N517 WeakPolarHBondContact OG-CB 3.19Å; A513-N517 WeakPolarHBondContact CA-OD1 3.28Å; S514-N517 PolarHBondContact N-OD1 2.73Å; S514-N517 PolarHBondContact O-N 2.92Å; S514-N517 PolarHBondContact O-OD1 3.49Å; S514-N517 PolarHBondContact OG-N 3Å; S514-N517 PolarHBondContact OG-OD1 3.19Å
518	C	98.4	Very high	98.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.			trans	-58.5	142.4	177.7	63.7	0	0	0	0	112.7	K446 E510 A513 S514 F520 Y523	K446-C518 VanDerWaalsContact CE-O 3.27Å; K446-C518 WeakPolarHBondContact CE-O 3.02Å; K446-C518 PolarHBondContact NZ-O 3.42Å; K446-C518 PolarHBondContact NZ-SG 2.9Å; E510-C518 WeakPolarHBondContact OE1-CA 3.49Å; E510-C518 WeakPolarHBondContact OE2-CA 3.34Å; A513-C518 HydrophobicContact CB-CB 4.03Å; S514-C518 WeakPolarHBondContact O-CB 3.5Å; S514-C518 PolarHBondContact O-N 2.83Å; C518-F520 WeakPolarHBondContact CB-O 3.26Å; C518-F520 PolarHBondContact SG-O 3.24Å; C518-Y523 HydrophobicContact CB-CD1 3.39Å; C518-Y523 HydrophobicContact CB-CD2 4.42Å; C518-Y523 HydrophobicContact CB-CE1 3.71Å; C518-Y523 HydrophobicContact CB-CG 3.81Å; C518-Y523 WeakPolarHBondContact SG-CE1 3.25Å
519	Y	98.8	Very high	98.5	Very high	5 Å²	5	8.7 Å²	8.7	2%	0.02	5%	0.052	C	C	.	.	S	Bend	trans	-86.2	-44.6	166.9	178.5	-94.1	0	0	0	111.2	W176 D177 I180 V495 F498 E499 E510	W176-Y519 WeakPolarHBondContact CA-O 3.38Å; W176-Y519 WeakPolarHBondContact CB-O 3.12Å; D177-Y519 CarbonylContact C-O 3.6Å; D177-Y519 HydrophobicContact CB-CE1 3.8Å; D177-Y519 HydrophobicContact CB-CE2 4.29Å; D177-Y519 WeakPolarHBondContact CB-OH 3.48Å; D177-Y519 PolarHBondContact N-O 2.94Å; I180-Y519 HydrophobicContact CD1-CE1 4.15Å; V495-Y519 HydrophobicContact CG1-CE2 4.16Å; F498-Y519 HydrophobicContact CB-CD1 3.54Å; F498-Y519 HydrophobicContact CB-CD2 3.71Å; F498-Y519 HydrophobicContact CB-CE1 3.62Å; F498-Y519 HydrophobicContact CB-CE2 3.81Å; F498-Y519 HydrophobicContact CB-CG 3.57Å; F498-Y519 HydrophobicContact CD1-CD1 4.06Å; F498-Y519 HydrophobicContact CD1-CG 4.05Å; F498-Y519 HydrophobicContact CD2-CD1 4.46Å; F498-Y519 AromaticContact CD2-CD2 3.86Å; F498-Y519 HydrophobicContact CD2-CD2 3.86Å; F498-Y519 AromaticContact CD2-CG 3.73Å; F498-Y519 HydrophobicContact CD2-CG 3.73Å; F498-Y519 HydrophobicContact CE2-CG 4.37Å; F498-Y519 AromaticContact CG-CD1 3.8Å; F498-Y519 HydrophobicContact CG-CD1 3.8Å; F498-Y519 AromaticContact CG-CD2 3.93Å; F498-Y519 HydrophobicContact CG-CD2 3.93Å; F498-Y519 HydrophobicContact CG-CE1 4.39Å; F498-Y519 AromaticContact CG-CG 3.52Å; F498-Y519 HydrophobicContact CG-CG 3.52Å; E499-Y519 WeakPolarHBondContact CG-OH 3.45Å; E510-Y519 VanDerWaalsContact CD-N 3.32Å; E510-Y519 WeakPolarHBondContact OE1-CA 3.36Å; E510-Y519 PolarHBondContact OE1-N 3.3Å; E510-Y519 PolarHBondContact OE2-N 3.42Å
520	F	98.8	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-91.2	161.4	178.1	-53.6	-76	0	0	0	111.8	I180 F498 H502 V507 S508 E510 C518 Q522 Y523	I180-F520 HydrophobicContact CB-CD1 4.01Å; I180-F520 HydrophobicContact CB-CE1 4.33Å; I180-F520 HydrophobicContact CD1-CD1 4.02Å; I180-F520 HydrophobicContact CD1-CE1 3.65Å; I180-F520 HydrophobicContact CG2-CD1 3.84Å; I180-F520 HydrophobicContact CG2-CE1 3.94Å; F498-F520 AromaticContact CD1-CE2 3.86Å; F498-F520 HydrophobicContact CD1-CE2 3.86Å; F498-F520 HydrophobicContact CD1-CZ 4.29Å; F498-F520 HydrophobicContact CE1-CE2 4.26Å; H502-F520 HydrophobicContact CB-CE1 4.37Å; H502-F520 HydrophobicContact CB-CZ 4.44Å; V507-F520 HydrophobicContact CG1-CE2 3.84Å; V507-F520 HydrophobicContact CG1-CZ 3.98Å; V507-F520 WeakPolarHBondContact O-CZ 3.39Å; S508-F520 WeakPolarHBondContact O-CG 3.33Å; E510-F520 HydrophobicContact CG-CD2 3.98Å; E510-F520 HydrophobicContact CG-CE2 4.38Å; E510-F520 PolarHBondContact OE1-N 3.02Å; C518-F520 WeakPolarHBondContact CB-O 3.26Å; C518-F520 PolarHBondContact SG-O 3.24Å; F520-Q522 PolarHBondContact O-N 2.97Å; F520-Y523 WeakPolarHBondContact O-CD1 3.38Å
521	R	98.6	Very high	98.5	Very high	42 Å²	42	8.6 Å²	8.6	16%	0.158	5%	0.051	C	C	.	.	S	Bend	trans	-77	-2.6	171.6	74.8	171.9	-178.8	-93.1	1.3	114.3	L178 D179 I180 L450 R537	L178-R521 HydrophobicContact CB-CB 4.25Å; L178-R521 HydrophobicContact CD2-CB 4.02Å; L178-R521 VanDerWaalsContact O-CD 3.27Å; L178-R521 WeakPolarHBondContact O-CD 3.34Å; L178-R521 PolarHBondContact O-NH1 3.41Å; D179-R521 PolarHBondContact O-NH1 2.89Å; I180-R521 PolarHBondContact O-NH1 3.17Å; I180-R521 VanDerWaalsContact O-NH1 3.1Å; L450-R521 HydrophobicContact CD2-CB 3.95Å; R521-R537 PolarHBondContact O-NH1 3.42Å
522	Q	98.7	Very high	98.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.			trans	-125.8	122.1	176.3	52.8	-89.2	-13.6	0	0	110.5	I180 S508 F509 F520	I180-Q522 PolarHBondContact O-NE2 2.86Å; S508-Q522 WeakPolarHBondContact O-CG 3.34Å; S508-Q522 PolarHBondContact O-NE2 3.47Å; F509-Q522 WeakPolarHBondContact CA-O 3.32Å; F509-Q522 HydrophobicContact CB-CG 4.4Å; F509-Q522 HydrophobicContact CD2-CB 3.66Å; F509-Q522 HydrophobicContact CD2-CG 3.68Å; F509-Q522 HydrophobicContact CE2-CB 3.86Å; F509-Q522 HydrophobicContact CE2-CG 4.39Å; F509-Q522 HydrophobicContact CG-CG 4.38Å; F520-Q522 PolarHBondContact O-N 2.97Å
523	Y	98.9	Very high	98.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-159.5	163.3	-176.8	54.3	-87.9	0	0	0	109.9	E510 A513 P515 C518 F520 F534 S536 R537	E510-Y523 CarbonylContact O-C 3.54Å; E510-Y523 WeakPolarHBondContact O-CA 3.44Å; E510-Y523 WeakPolarHBondContact O-CB 3.32Å; A513-Y523 HydrophobicContact CB-CD2 4.02Å; A513-Y523 HydrophobicContact CB-CG 4.1Å; P515-Y523 WeakPolarHBondContact CA-OH 3.29Å; P515-Y523 WeakPolarHBondContact CB-OH 3.46Å; P515-Y523 HydrophobicContact CG-CE2 4.42Å; P515-Y523 WeakPolarHBondContact CG-OH 3.38Å; C518-Y523 HydrophobicContact CB-CD1 3.39Å; C518-Y523 HydrophobicContact CB-CD2 4.42Å; C518-Y523 HydrophobicContact CB-CE1 3.71Å; C518-Y523 HydrophobicContact CB-CG 3.81Å; C518-Y523 WeakPolarHBondContact SG-CE1 3.25Å; F520-Y523 WeakPolarHBondContact O-CD1 3.38Å; Y523-F534 PolarHBondContact OH-O 2.87Å; Y523-S536 CarbonylContact O-C 3.57Å; Y523-S536 WeakPolarHBondContact O-CA 3.05Å; Y523-R537 PolarHBondContact O-N 3.45Å
524	C	98.9	Very high	98.5	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.007	5%	0.046	C	C	.	.			trans	-95.3	143.8	165.7	-76.6	0	0	0	0	109.6	F509 E510 C511 A513 G538 C540 F543	F509-C524 HydrophobicContact CE1-CB 4.17Å; F509-C524 HydrophobicContact CZ-CB 4.5Å; E510-C524 PolarHBondContact O-N 3.38Å; C511-C524 WeakPolarHBondContact O-CB 3.47Å; A513-C524 PolarHBondContact N-O 2.92Å; C524-G538 CarbonylContact C-O 3.53Å; C524-G538 WeakPolarHBondContact CA-O 3.45Å; C524-G538 WeakPolarHBondContact CB-O 3.44Å; C524-G538 PolarHBondContact SG-O 3.1Å; C524-C540 HydrophobicContact CB-CB 4.18Å; C524-F543 VanDerWaalsContact SG-CB 3.54Å; C524-F543 VanDerWaalsContact SG-CG 3.59Å
525	S	98.8	Very high	98.5	Very high	7 Å²	7	7.6 Å²	7.6	5%	0.049	4%	0.044	C	C	.	.			trans	-146.2	165.7	177.6	73.2	0	0	0	0	111.1	A513 F527 D531 S536 G538 P539	A513-S525 WeakPolarHBondContact O-CA 3.4Å; A513-S525 WeakPolarHBondContact O-CB 3.41Å; S525-F527 VanDerWaalsContact C-N 3.34Å; S525-F527 PolarHBondContact O-N 3.08Å; S525-D531 VanDerWaalsContact CB-OD2 3.26Å; S525-D531 WeakPolarHBondContact CB-OD2 3.13Å; S525-D531 WeakPolarHBondContact OG-CB 3.36Å; S525-D531 VanDerWaalsContact OG-CG 3.32Å; S525-D531 PolarHBondContact OG-OD2 3.49Å; S525-S536 PolarHBondContact N-OG 3.32Å; S525-S536 WeakPolarHBondContact OG-CB 3.32Å; S525-S536 PolarHBondContact OG-OG 3.23Å; S525-G538 PolarHBondContact N-O 2.93Å; S525-G538 CarbonylContact O-C 3.56Å; S525-G538 VanDerWaalsContact O-O 3.11Å; S525-P539 WeakPolarHBondContact O-CA 3.36Å; S525-P539 VanDerWaalsContact O-N 3.12Å
526	A	98	Very high	98.5	Very high	49 Å²	49	7.6 Å²	7.6	41%	0.405	4%	0.044	S	C	.	.	S	Bend	trans	-67	-30.5	-173.5	0	0	0	0	0	114.2	P528	A526-P528 VanDerWaalsContact O-CD 3.29Å; A526-P528 WeakPolarHBondContact O-CD 3.25Å
527	F	98.6	Very high	98.6	Very high	4 Å²	4	8 Å²	8	2%	0.018	5%	0.046	C	C	.	.			trans	-118	87.5	-165.7	-50.6	-54.6	0	0	0	111.8	P249 L250 R474 Y475 M478 S525 D529 T530 D531	P249-F527 HydrophobicContact CB-CD1 4.4Å; P249-F527 WeakPolarHBondContact O-CD1 3.33Å; L250-F527 HydrophobicContact CB-CE1 4.1Å; L250-F527 HydrophobicContact CD1-CE1 3.74Å; L250-F527 HydrophobicContact CD1-CZ 3.85Å; L250-F527 HydrophobicContact CG-CE1 4.41Å; R474-F527 HydrophobicContact CG-CB 4.45Å; R474-F527 HydrophobicContact CG-CD1 4.29Å; R474-F527 HydrophobicContact CG-CD2 3.49Å; R474-F527 VanDerWaalsContact CG-CD2 3.49Å; R474-F527 HydrophobicContact CG-CE1 4.49Å; R474-F527 HydrophobicContact CG-CE2 3.72Å; R474-F527 HydrophobicContact CG-CG 3.8Å; R474-F527 HydrophobicContact CG-CZ 4.23Å; Y475-F527 HydrophobicContact CD1-CE2 4.33Å; Y475-F527 HydrophobicContact CD2-CD2 4.39Å; Y475-F527 HydrophobicContact CE1-CD2 4.34Å; Y475-F527 HydrophobicContact CE1-CE2 4.02Å; Y475-F527 AromaticContact CE2-CD2 3.82Å; Y475-F527 HydrophobicContact CE2-CD2 3.82Å; Y475-F527 HydrophobicContact CE2-CE2 4.21Å; Y475-F527 AromaticContact CZ-CD2 3.79Å; Y475-F527 AromaticContact CZ-CE2 3.95Å; M478-F527 HydrophobicContact CB-CE2 4.29Å; M478-F527 HydrophobicContact CB-CZ 4.03Å; M478-F527 HydrophobicContact CG-CE2 4.4Å; M478-F527 HydrophobicContact CG-CZ 3.98Å; M478-F527 HydrophobicContact SD-CZ 3.98Å; S525-F527 VanDerWaalsContact C-N 3.34Å; S525-F527 PolarHBondContact O-N 3.08Å; F527-D529 PolarHBondContact O-N 2.79Å; F527-T530 VanDerWaalsContact CB-OG1 3.26Å; F527-T530 WeakPolarHBondContact CB-OG1 3.41Å; F527-T530 PolarHBondContact O-N 3.4Å; F527-D531 PolarHBondContact N-OD2 2.85Å; F527-D531 WeakPolarHBondContact O-CB 3.13Å; F527-D531 PolarHBondContact O-N 3.1Å
528	P	98.4	Very high	98.7	Very high	11 Å²	11	7.5 Å²	7.5	7%	0.071	4%	0.044	C	C	.	.	H	α-helix	trans	-62	-28.1	-177.2	25.2	-34.2	0	0	0	113	V194 V407 A526 G532	V194-P528 HydrophobicContact CG2-CG 4.1Å; V407-P528 HydrophobicContact CB-CB 4.41Å; V407-P528 HydrophobicContact CG1-CB 3.59Å; V407-P528 WeakPolarHBondContact CG1-O 3.45Å; V407-P528 HydrophobicContact CG2-CB 4.13Å; A526-P528 VanDerWaalsContact O-CD 3.29Å; A526-P528 WeakPolarHBondContact O-CD 3.25Å; P528-G532 PolarHBondContact O-N 3.24Å
529	D	98.6	Very high	98.7	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-70.4	-44.4	-179.1	62.6	-44.7	0	0	0	113.3	V194 P197 P249 L409 R474 F527 Y533	V194-D529 HydrophobicContact CB-CB 4.39Å; V194-D529 HydrophobicContact CG1-CB 3.62Å; P197-D529 WeakPolarHBondContact CD-O 3.22Å; P197-D529 WeakPolarHBondContact CG-O 3.4Å; P249-D529 VanDerWaalsContact CB-OD1 3.29Å; P249-D529 WeakPolarHBondContact CB-OD1 3.41Å; P249-D529 WeakPolarHBondContact CG-OD2 3.44Å; L409-D529 HydrophobicContact CD1-CB 4.45Å; R474-D529 IonicContact CZ-OD1 2.78Å; R474-D529 IonicContact CZ-OD2 2.81Å; R474-D529 IonicContact NH1-OD1 2.72Å; R474-D529 PolarHBondContact NH1-OD1 3Å; R474-D529 IonicContact NH1-OD2 3.05Å; R474-D529 PolarHBondContact NH1-OD2 3.21Å; R474-D529 IonicContact NH2-OD1 3.27Å; R474-D529 IonicContact NH2-OD2 3.28Å; R474-D529 PolarHBondContact NH2-OD2 2.7Å; F527-D529 PolarHBondContact O-N 2.79Å; D529-Y533 WeakPolarHBondContact O-CE2 3.49Å
530	T	98.9	Very high	98.7	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	6%	0.057	C	C	.	.	H	α-helix	trans	-85.4	-38.5	177.5	50.3	0	0	0	0	112.2	P197 C470 R474 F527 F534	P197-T530 HydrophobicContact CB-CG2 3.87Å; P197-T530 HydrophobicContact CG-CG2 4.26Å; C470-T530 HydrophobicContact CB-CG2 4.3Å; R474-T530 HydrophobicContact CB-CG2 4.39Å; F527-T530 VanDerWaalsContact CB-OG1 3.26Å; F527-T530 WeakPolarHBondContact CB-OG1 3.41Å; F527-T530 PolarHBondContact O-N 3.4Å; T530-F534 WeakPolarHBondContact O-CD2 3.47Å
531	D	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-93.5	-19.2	-163.3	-50.7	-10.9	0	0	0	112.5	L471 Y475 P515 S525 F527 Y533 F534 G535 S536	L471-D531 WeakPolarHBondContact CD1-OD1 3.24Å; Y475-D531 PolarHBondContact OH-OD2 2.81Å; P515-D531 HydrophobicContact CG-CB 3.79Å; S525-D531 VanDerWaalsContact CB-OD2 3.26Å; S525-D531 WeakPolarHBondContact CB-OD2 3.13Å; S525-D531 WeakPolarHBondContact OG-CB 3.36Å; S525-D531 VanDerWaalsContact OG-CG 3.32Å; S525-D531 PolarHBondContact OG-OD2 3.49Å; F527-D531 PolarHBondContact N-OD2 2.85Å; F527-D531 WeakPolarHBondContact O-CB 3.13Å; F527-D531 PolarHBondContact O-N 3.1Å; D531-Y533 PolarHBondContact O-N 3.1Å; D531-F534 CarbonylContact O-C 3.53Å; D531-F534 WeakPolarHBondContact O-CA 3.41Å; D531-F534 PolarHBondContact O-N 3.44Å; D531-G535 PolarHBondContact O-N 3.25Å; D531-S536 VanDerWaalsContact C-CB 3.47Å; D531-S536 VanDerWaalsContact CB-CB 3.42Å; D531-S536 WeakPolarHBondContact O-CB 3.36Å; D531-S536 PolarHBondContact O-N 2.94Å
532	G	98.8	Very high	98.7	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.031	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-58	-36.7	178	0	0	0	0	0	112.3	P406 P528 F534 G535	P406-G532 VanDerWaalsContact CB-O 3.23Å; P406-G532 WeakPolarHBondContact CB-O 3.23Å; P528-G532 PolarHBondContact O-N 3.24Å; G532-F534 PolarHBondContact O-N 3.29Å; G532-F534 VanDerWaalsContact O-N 3.17Å; G532-G535 PolarHBondContact O-N 2.82Å
533	Y	98.8	Very high	98.7	Very high	17 Å²	17	15.7 Å²	15.7	7%	0.067	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-64.7	-17.5	174.4	-57	-66.5	0	0	0	113.8	P197 L409 Y451 S454 R467 D529 D531	P197-Y533 HydrophobicContact CG-CE2 3.83Å; L409-Y533 HydrophobicContact CD1-CE2 4.46Å; Y451-Y533 WeakPolarHBondContact CA-O 3.34Å; Y451-Y533 HydrophobicContact CE2-CG 4.41Å; S454-Y533 WeakPolarHBondContact CB-O 3.13Å; R467-Y533 HydrophobicContact CG-CD2 4.43Å; R467-Y533 VanDerWaalsContact CZ-CD1 3.49Å; R467-Y533 VanDerWaalsContact CZ-CZ 3.41Å; R467-Y533 VanDerWaalsContact NH1-CD1 3.28Å; R467-Y533 VanDerWaalsContact NH1-CE1 3.33Å; R467-Y533 PolarHBondContact NH2-OH 3.3Å; D529-Y533 WeakPolarHBondContact O-CE2 3.49Å; D531-Y533 PolarHBondContact O-N 3.1Å
534	F	98.9	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-114.1	13.3	-178	-57.7	-85.3	0	0	0	113	L447 L450 Y451 F464 R467 V468 L471 P515 Y523 T530 D531 G532	L447-F534 HydrophobicContact CB-CD1 4.23Å; L447-F534 HydrophobicContact CB-CE1 4.07Å; L447-F534 HydrophobicContact CD2-CD1 3.98Å; L447-F534 HydrophobicContact CD2-CE1 4.32Å; L447-F534 HydrophobicContact CD2-CG 4.44Å; L447-F534 WeakPolarHBondContact O-CD1 3.39Å; L450-F534 HydrophobicContact CB-CB 4.13Å; L450-F534 HydrophobicContact CB-CD1 4.38Å; L450-F534 WeakPolarHBondContact CB-O 3.46Å; L450-F534 WeakPolarHBondContact CD2-O 3.41Å; Y451-F534 HydrophobicContact CD2-CD1 4.08Å; Y451-F534 AromaticContact CD2-CE1 3.62Å; Y451-F534 HydrophobicContact CD2-CE1 3.62Å; Y451-F534 HydrophobicContact CD2-CE2 4.38Å; Y451-F534 AromaticContact CD2-CZ 3.79Å; Y451-F534 HydrophobicContact CD2-CZ 3.79Å; Y451-F534 HydrophobicContact CE2-CZ 4.36Å; Y451-F534 HydrophobicContact CG-CE1 4.2Å; F464-F534 HydrophobicContact CD2-CE1 4.41Å; F464-F534 HydrophobicContact CE2-CE1 4.04Å; R467-F534 HydrophobicContact CB-CE2 4.45Å; R467-F534 HydrophobicContact CB-CZ 4.37Å; V468-F534 HydrophobicContact CG2-CE1 3.92Å; V468-F534 HydrophobicContact CG2-CZ 3.74Å; L471-F534 HydrophobicContact CB-CE2 4.29Å; L471-F534 HydrophobicContact CD2-CD2 3.99Å; L471-F534 HydrophobicContact CD2-CE2 3.91Å; L471-F534 HydrophobicContact CD2-CG 4.37Å; L471-F534 HydrophobicContact CD2-CZ 4.22Å; P515-F534 HydrophobicContact CB-CB 3.77Å; P515-F534 HydrophobicContact CB-CG 4.29Å; P515-F534 HydrophobicContact CG-CB 3.84Å; P515-F534 HydrophobicContact CG-CG 4.42Å; Y523-F534 PolarHBondContact OH-O 2.87Å; T530-F534 WeakPolarHBondContact O-CD2 3.47Å; D531-F534 CarbonylContact O-C 3.53Å; D531-F534 WeakPolarHBondContact O-CA 3.41Å; D531-F534 PolarHBondContact O-N 3.44Å; G532-F534 PolarHBondContact O-N 3.29Å; G532-F534 VanDerWaalsContact O-N 3.17Å
535	G	98.8	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.8	-0.4	171.4	0	0	0	0	0	115.1	S454 D531 G532 R537	S454-G535 WeakPolarHBondContact OG-CA 3.48Å; S454-G535 PolarHBondContact OG-N 3.4Å; D531-G535 PolarHBondContact O-N 3.25Å; G532-G535 PolarHBondContact O-N 2.82Å; G535-R537 WeakPolarHBondContact O-CD 3.49Å; G535-R537 PolarHBondContact O-NH1 2.97Å
536	S	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-65.9	141	176.5	-178.3	0	0	0	0	112.4	P406 V407 Y523 S525 D531 G538	P406-S536 CarbonylContact C-O 3.29Å; P406-S536 WeakPolarHBondContact CA-O 3.45Å; V407-S536 PolarHBondContact N-O 2.91Å; Y523-S536 CarbonylContact O-C 3.57Å; Y523-S536 WeakPolarHBondContact O-CA 3.05Å; S525-S536 PolarHBondContact N-OG 3.32Å; S525-S536 WeakPolarHBondContact OG-CB 3.32Å; S525-S536 PolarHBondContact OG-OG 3.23Å; D531-S536 VanDerWaalsContact C-CB 3.47Å; D531-S536 VanDerWaalsContact CB-CB 3.42Å; D531-S536 WeakPolarHBondContact O-CB 3.36Å; D531-S536 PolarHBondContact O-N 2.94Å; S536-G538 VanDerWaalsContact C-N 3.31Å; S536-G538 PolarHBondContact OG-N 3.02Å
537	R	98.8	Very high	98.7	Very high	13 Å²	13	18.6 Å²	18.6	5%	0.049	11%	0.11	C	C	.	.			trans	-92.5	8.6	169.4	-83.4	58.5	179	176	-1.4	112.1	R189 C404 Y405 F509 R521 Y523 G535 F543	R189-R537 PolarHBondContact NH1-O 3.29Å; R189-R537 PolarHBondContact NH2-O 3.06Å; C404-R537 HydrophobicContact CB-CG 4.27Å; C404-R537 PolarHBondContact O-NH2 2.86Å; C404-R537 PolarHBondContact SG-NE 3.1Å; Y405-R537 WeakPolarHBondContact O-CG 3.13Å; Y405-R537 PolarHBondContact O-NE 2.75Å; F509-R537 HydrophobicContact CE2-CB 4.38Å; F509-R537 HydrophobicContact CE2-CG 3.88Å; F509-R537 HydrophobicContact CZ-CB 3.96Å; F509-R537 HydrophobicContact CZ-CG 3.98Å; R521-R537 PolarHBondContact O-NH1 3.42Å; Y523-R537 PolarHBondContact O-N 3.45Å; G535-R537 WeakPolarHBondContact O-CD 3.49Å; G535-R537 PolarHBondContact O-NH1 2.97Å; R537-F543 HydrophobicContact CB-CD2 3.9Å; R537-F543 HydrophobicContact CB-CE2 4Å; R537-F543 HydrophobicContact CG-CD2 4.31Å; R537-F543 HydrophobicContact CG-CE2 3.89Å
538	G	98.6	Very high	98.7	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	11%	0.109	C	C	.	.			trans	84.5	-168.8	-173.8	0	0	0	0	0	112.5	C524 S525 S536	C524-G538 CarbonylContact C-O 3.53Å; C524-G538 WeakPolarHBondContact CA-O 3.45Å; C524-G538 WeakPolarHBondContact CB-O 3.44Å; C524-G538 PolarHBondContact SG-O 3.1Å; S525-G538 PolarHBondContact N-O 2.93Å; S525-G538 CarbonylContact O-C 3.56Å; S525-G538 VanDerWaalsContact O-O 3.11Å; S536-G538 VanDerWaalsContact C-N 3.31Å; S536-G538 PolarHBondContact OG-N 3.02Å
539	P	98.6	Very high	98.7	Very high	36 Å²	36	17.9 Å²	17.9	23%	0.234	11%	0.106	C	C	.	.			trans	-62.4	144.2	-177.9	-24.4	35.7	0	0	0	112.6	S525 L541 D542 F543	S525-P539 WeakPolarHBondContact O-CA 3.36Å; S525-P539 VanDerWaalsContact O-N 3.12Å; P539-L541 VanDerWaalsContact C-N 3.31Å; P539-L541 PolarHBondContact O-N 2.92Å; P539-D542 PolarHBondContact O-N 2.82Å; P539-D542 VanDerWaalsContact O-N 3.12Å; P539-F543 PolarHBondContact O-N 3.28Å
540	C	98.8	Very high	98.7	Very high	9 Å²	9	17.8 Å²	17.8	6%	0.061	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-56.6	-43	-178.4	-176.1	0	0	0	0	112.9	C511 F512 C524 D542 F543 H567	C511-C540 WeakPolarHBondContact O-CB 3.49Å; F512-C540 HydrophobicContact CD1-CB 4.37Å; F512-C540 HydrophobicContact CE1-CB 3.79Å; F512-C540 HydrophobicContact CE2-CB 4.35Å; F512-C540 HydrophobicContact CZ-CB 3.77Å; C524-C540 HydrophobicContact CB-CB 4.18Å; C540-D542 PolarHBondContact O-N 2.94Å; C540-F543 WeakPolarHBondContact O-CB 3.37Å; C540-F543 PolarHBondContact O-N 3.33Å; C540-H567 PolarHBondContact O-NE2 3.49Å
541	L	98.5	Very high	98.7	Very high	49 Å²	49	17.9 Å²	17.9	26%	0.257	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-67.6	-21.1	-178	-57.1	-178.4	0	0	0	113	V242 P539 L560 A563 H567	V242-L541 HydrophobicContact CG1-CD1 4.2Å; P539-L541 VanDerWaalsContact C-N 3.31Å; P539-L541 PolarHBondContact O-N 2.92Å; L541-L560 HydrophobicContact CD1-CD1 4.14Å; L541-A563 HydrophobicContact CD1-CB 3.94Å; L541-A563 HydrophobicContact CD2-CB 4.22Å; L541-H567 HydrophobicContact CD2-CB 3.98Å; L541-H567 PolarHBondContact O-CE1 3.49Å
542	D	98.2	Very high	98.7	Very high	119 Å²	119	17.9 Å²	17.9	64%	0.636	11%	0.105	S	C	*	.	G	3₁₀ helix	trans	-95.7	-0.6	175.6	-59.6	-36.1	0	0	0	112.5	P539 C540	P539-D542 PolarHBondContact O-N 2.82Å; P539-D542 VanDerWaalsContact O-N 3.12Å; C540-D542 PolarHBondContact O-N 2.94Å
543	F	98.6	Very high	98.6	Very high	5 Å²	5	18 Å²	18	2%	0.022	11%	0.105	C	C	.	.			trans	-102.3	115.4	179.4	-176.2	-110.4	0	0	0	110.2	A184 I186 C404 F509 C524 R537 P539 C540 P545 F550 H567	A184-F543 HydrophobicContact CB-CZ 4.23Å; I186-F543 HydrophobicContact CG2-CD2 4.26Å; I186-F543 HydrophobicContact CG2-CE2 3.45Å; I186-F543 VanDerWaalsContact CG2-CE2 3.45Å; I186-F543 HydrophobicContact CG2-CZ 3.65Å; C404-F543 HydrophobicContact CB-CE2 3.94Å; C404-F543 HydrophobicContact CB-CZ 3.91Å; F509-F543 HydrophobicContact CE1-CD1 4.46Å; F509-F543 HydrophobicContact CE1-CE1 4.2Å; F509-F543 HydrophobicContact CE2-CE1 4.26Å; F509-F543 HydrophobicContact CE2-CZ 4.08Å; F509-F543 HydrophobicContact CZ-CD1 4.29Å; F509-F543 AromaticContact CZ-CE1 3.89Å; F509-F543 HydrophobicContact CZ-CE1 3.89Å; F509-F543 HydrophobicContact CZ-CZ 4.05Å; C524-F543 VanDerWaalsContact SG-CB 3.54Å; C524-F543 VanDerWaalsContact SG-CG 3.59Å; R537-F543 HydrophobicContact CB-CD2 3.9Å; R537-F543 HydrophobicContact CB-CE2 4Å; R537-F543 HydrophobicContact CG-CD2 4.31Å; R537-F543 HydrophobicContact CG-CE2 3.89Å; P539-F543 PolarHBondContact O-N 3.28Å; C540-F543 WeakPolarHBondContact O-CB 3.37Å; C540-F543 PolarHBondContact O-N 3.33Å; F543-P545 VanDerWaalsContact C-CD 3.46Å; F543-P545 HydrophobicContact CD1-CB 4.46Å; F543-P545 HydrophobicContact CD1-CG 3.99Å; F543-P545 HydrophobicContact CE1-CB 3.76Å; F543-P545 HydrophobicContact CE1-CG 3.72Å; F543-P545 HydrophobicContact CZ-CB 4.2Å; F543-P545 WeakPolarHBondContact O-CD 3.24Å; F543-F550 AromaticContact CE1-CE1 3.88Å; F543-F550 HydrophobicContact CE1-CE1 3.88Å; F543-F550 HydrophobicContact CE1-CZ 4.33Å; F543-H567 PolarHBondContact O-CE1 2.92Å; F543-H567 VanDerWaalsContact O-CE1 3.3Å; F543-H567 PolarHBondContact O-NE2 3.17Å
544	A	98.4	Very high	98.5	Very high	55 Å²	55	17.2 Å²	17.2	46%	0.455	10%	0.102	S	C	.	.			trans	-114.3	77.8	-175.9	0	0	0	0	0	112.1	L571	A544-L571 HydrophobicContact CB-CD2 3.96Å
545	P	98.5	Very high	98.1	Very high	1 Å²	1	18 Å²	18	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.4	174.6	30.8	-34.4	0	0	0	111.4	V185 F543 F550 L571 F581	V185-P545 CarbonylContact O-C 3.45Å; V185-P545 WeakPolarHBondContact O-CA 3.42Å; F543-P545 VanDerWaalsContact C-CD 3.46Å; F543-P545 HydrophobicContact CD1-CB 4.46Å; F543-P545 HydrophobicContact CD1-CG 3.99Å; F543-P545 HydrophobicContact CE1-CB 3.76Å; F543-P545 HydrophobicContact CE1-CG 3.72Å; F543-P545 HydrophobicContact CZ-CB 4.2Å; F543-P545 WeakPolarHBondContact O-CD 3.24Å; P545-F550 HydrophobicContact CB-CE1 4.3Å; P545-F550 HydrophobicContact CB-CE2 4Å; P545-F550 HydrophobicContact CB-CZ 3.48Å; P545-F550 VanDerWaalsContact CB-CZ 3.48Å; P545-F550 HydrophobicContact CG-CE1 4.29Å; P545-F550 HydrophobicContact CG-CE2 4.07Å; P545-F550 HydrophobicContact CG-CZ 3.74Å; P545-L571 HydrophobicContact CG-CD1 4.04Å; P545-F581 HydrophobicContact CG-CZ 4.24Å
546	L	98.6	Very high	97.5	Very high	48 Å²	48	20 Å²	20	25%	0.251	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-32.7	171.5	-57.9	178.6	0	0	0	111	V185 L401 S575	V185-L546 PolarHBondContact O-N 3.24Å; L401-L546 HydrophobicContact CD1-CD1 4.3Å; L401-L546 HydrophobicContact CD2-CD1 3.39Å; L401-L546 HydrophobicContact CG-CD1 4.48Å; L546-S575 VanDerWaalsContact O-CB 3.28Å; L546-S575 WeakPolarHBondContact O-CB 3.41Å; L546-S575 PolarHBondContact O-OG 3.29Å
547	S	98.9	Very high	97.1	Very high	15 Å²	15	20.2 Å²	20.2	11%	0.105	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.2	176.8	-171.5	0	0	0	0	110.3	A184 V185 P578	A184-S547 CarbonylContact C-O 3.56Å; A184-S547 VanDerWaalsContact CA-O 3.29Å; A184-S547 WeakPolarHBondContact CA-O 3.41Å; V185-S547 PolarHBondContact N-O 3.17Å; S547-P578 VanDerWaalsContact CA-O 3.31Å; S547-P578 WeakPolarHBondContact CA-O 3.39Å; S547-P578 PolarHBondContact OG-O 3.49Å
548	G	98.8	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.5	170.3	174	0	0	0	0	0	112.3	N183 F550 P578 L579 S580 W653	N183-G548 WeakPolarHBondContact O-CA 3.41Å; N183-G548 WeakPolarHBondContact OD1-CA 3.4Å; G548-F550 VanDerWaalsContact CA-CE2 3.48Å; G548-P578 PolarHBondContact N-O 3.39Å; G548-L579 WeakPolarHBondContact O-CA 3.43Å; G548-S580 PolarHBondContact O-N 2.91Å; G548-W653 WeakPolarHBondContact O-CZ3 3.31Å
549	S	98.9	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.2	172.2	-174.6	0	0	0	0	109.5	N183 F505 G506 V507 S508 S580	N183-S549 PolarHBondContact OD1-N 2.93Å; N183-S549 VanDerWaalsContact OD1-N 3.1Å; F505-S549 VanDerWaalsContact O-CB 3.29Å; F505-S549 WeakPolarHBondContact O-CB 3.27Å; F505-S549 PolarHBondContact O-OG 3.45Å; G506-S549 WeakPolarHBondContact O-CB 3.46Å; V507-S549 WeakPolarHBondContact CA-O 3.09Å; S508-S549 PolarHBondContact N-O 2.72Å; S508-S549 VanDerWaalsContact N-O 3.11Å; S549-S580 WeakPolarHBondContact CA-O 3.24Å
550	F	98.9	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.5	-163.6	-60.4	-90.9	0	0	0	110.8	A184 F509 F543 P545 G548 L579 S580 F581 I582	A184-F550 HydrophobicContact CB-CE1 3.64Å; A184-F550 HydrophobicContact CB-CZ 3.48Å; A184-F550 VanDerWaalsContact CB-CZ 3.48Å; F509-F550 HydrophobicContact CB-CD1 3.59Å; F509-F550 HydrophobicContact CB-CE1 3.79Å; F509-F550 AromaticContact CD1-CD1 3.51Å; F509-F550 HydrophobicContact CD1-CD1 3.51Å; F509-F550 AromaticContact CD1-CE1 3.76Å; F509-F550 HydrophobicContact CD1-CE1 3.76Å; F509-F550 HydrophobicContact CD2-CE1 4.19Å; F509-F550 HydrophobicContact CE1-CD1 4.36Å; F509-F550 HydrophobicContact CE1-CE1 4.39Å; F509-F550 AromaticContact CG-CD1 3.68Å; F509-F550 HydrophobicContact CG-CD1 3.68Å; F509-F550 AromaticContact CG-CE1 3.65Å; F509-F550 HydrophobicContact CG-CE1 3.65Å; F509-F550 WeakPolarHBondContact O-CA 3.37Å; F543-F550 AromaticContact CE1-CE1 3.88Å; F543-F550 HydrophobicContact CE1-CE1 3.88Å; F543-F550 HydrophobicContact CE1-CZ 4.33Å; P545-F550 HydrophobicContact CB-CE1 4.3Å; P545-F550 HydrophobicContact CB-CE2 4Å; P545-F550 HydrophobicContact CB-CZ 3.48Å; P545-F550 VanDerWaalsContact CB-CZ 3.48Å; P545-F550 HydrophobicContact CG-CE1 4.29Å; P545-F550 HydrophobicContact CG-CE2 4.07Å; P545-F550 HydrophobicContact CG-CZ 3.74Å; G548-F550 VanDerWaalsContact CA-CE2 3.48Å; F550-L579 HydrophobicContact CD2-CD1 4.06Å; F550-L579 HydrophobicContact CE2-CD1 3.52Å; F550-S580 WeakPolarHBondContact CD2-O 3.49Å; F550-S580 PolarHBondContact N-O 2.97Å; F550-F581 HydrophobicContact CB-CD1 3.61Å; F550-F581 HydrophobicContact CB-CE1 3.92Å; F550-F581 HydrophobicContact CB-CG 4.49Å; F550-F581 HydrophobicContact CD1-CE1 4.49Å; F550-F581 HydrophobicContact CD2-CD1 4.11Å; F550-F581 AromaticContact CD2-CE1 3.74Å; F550-F581 HydrophobicContact CD2-CE1 3.74Å; F550-F581 HydrophobicContact CD2-CZ 4.16Å; F550-F581 HydrophobicContact CE2-CE1 4.44Å; F550-F581 HydrophobicContact CG-CD1 4.01Å; F550-F581 AromaticContact CG-CE1 3.79Å; F550-F581 HydrophobicContact CG-CE1 3.79Å; F550-I582 PolarHBondContact O-N 2.98Å
551	E	98.9	Very high	96.2	Very high	3 Å²	3	22 Å²	22	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.1	163.4	-178.5	-77.3	159.8	0	0	108.6	L493 F498 L501 V507 F509 C511 N553 F584	L493-E551 HydrophobicContact CD1-CG 3.81Å; L493-E551 WeakPolarHBondContact CD1-OE1 3.46Å; F498-E551 HydrophobicContact CE1-CG 4.12Å; L501-E551 HydrophobicContact CD1-CB 4.32Å; L501-E551 HydrophobicContact CD1-CG 3.85Å; V507-E551 HydrophobicContact CG1-CB 3.76Å; F509-E551 PolarHBondContact O-N 3.05Å; C511-E551 WeakPolarHBondContact CB-O 3.47Å; C511-E551 PolarHBondContact N-O 3.26Å; E551-N553 WeakPolarHBondContact OE1-CB 3.48Å; E551-N553 PolarHBondContact OE1-N 3.32Å; E551-F584 HydrophobicContact CG-CD2 4.1Å; E551-F584 HydrophobicContact CG-CE2 3.94Å
552	A	98.8	Very high	96.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	108.3	176.8	0	0	0	0	0	111.3	C511 F512 P554 M564 F568 I582 V583 F584	C511-A552 HydrophobicContact CB-CB 3.78Å; F512-A552 HydrophobicContact CD2-CB 4.25Å; F512-A552 HydrophobicContact CE2-CB 4.33Å; A552-P554 WeakPolarHBondContact O-CD 3.35Å; A552-M564 HydrophobicContact CB-SD 4.42Å; A552-F568 HydrophobicContact CB-CE2 3.8Å; A552-F568 HydrophobicContact CB-CZ 3.84Å; A552-I582 PolarHBondContact N-O 2.89Å; A552-V583 HydrophobicContact CB-CG2 4.29Å; A552-V583 CarbonylContact O-C 3.54Å; A552-V583 VanDerWaalsContact O-CA 3.26Å; A552-V583 WeakPolarHBondContact O-CA 3.43Å; A552-F584 PolarHBondContact O-N 3.37Å
553	N	97.6	Very high	96.1	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.027	10%	0.102	C	C	.	.			trans	-117.4	82.3	170.8	171.1	15.8	0	0	0	108.5	Q490 G491 E551 F584	Q490-N553 PolarHBondContact NE2-O 3.34Å; G491-N553 PolarHBondContact O-ND2 2.99Å; E551-N553 WeakPolarHBondContact OE1-CB 3.48Å; E551-N553 PolarHBondContact OE1-N 3.32Å; N553-F584 HydrophobicContact CB-CB 4.19Å
554	P	95.6	Very high	96.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.101	C	C	.	.			trans	-67.9	151.7	-173.7	29.3	-36.3	0	0	0	112.3	F512 A552 M561 M564 I585	F512-P554 HydrophobicContact CD1-CB 4.31Å; F512-P554 HydrophobicContact CD2-CB 3.9Å; F512-P554 HydrophobicContact CE1-CB 4.29Å; F512-P554 HydrophobicContact CE2-CB 3.91Å; F512-P554 HydrophobicContact CG-CB 4.12Å; F512-P554 HydrophobicContact CZ-CB 4.09Å; A552-P554 WeakPolarHBondContact O-CD 3.35Å; P554-M561 HydrophobicContact CB-CG 4.1Å; P554-M561 HydrophobicContact CG-CG 3.77Å; P554-M561 HydrophobicContact CG-SD 4.24Å; P554-M564 HydrophobicContact CB-SD 4Å; P554-M564 HydrophobicContact CG-CE 4.14Å; P554-M564 HydrophobicContact CG-SD 3.8Å; P554-I585 HydrophobicContact CG-CG2 3.85Å
555	P	91.4	Very high	96.1	Very high	16 Å²	16	14.7 Å²	14.7	10%	0.104	8%	0.079	C	C	.	.			trans	-57.3	154.7	167.4	-22	32.6	0	0	0	112.1	L238 L489 C557 L560	L238-P555 HydrophobicContact CD1-CB 3.83Å; L489-P555 WeakPolarHBondContact O-CA 3.2Å; P555-C557 VanDerWaalsContact C-N 3.31Å; P555-C557 PolarHBondContact O-N 3.15Å; P555-L560 HydrophobicContact CG-CD2 4.3Å
556	F	85.2	Confident	96.1	Very high	44 Å²	44	17.1 Å²	17.1	19%	0.193	10%	0.096	C	C	.	.	S	Bend	trans	-72.7	79.8	179.8	-60.2	-35.7	0	0	0	113.2	R235 G488 L489 P586 W588	R235-F556 WeakPolarHBondContact CD-O 3.21Å; G488-F556 VanDerWaalsContact O-CD2 3.31Å; G488-F556 WeakPolarHBondContact O-CD2 3.43Å; L489-F556 PolarHBondContact O-N 3.08Å; L489-F556 VanDerWaalsContact O-N 3.1Å; F556-P586 HydrophobicContact CD1-CG 3.8Å; F556-P586 HydrophobicContact CE1-CG 3.07Å; F556-P586 HydrophobicContact CZ-CG 3.57Å; F556-W588 HydrophobicContact CB-CH2 3.77Å; F556-W588 HydrophobicContact CB-CZ3 4.46Å; F556-W588 AromaticContact CD1-CH2 3.54Å; F556-W588 HydrophobicContact CD1-CH2 3.54Å; F556-W588 HydrophobicContact CD1-CZ2 4.15Å; F556-W588 HydrophobicContact CD1-CZ3 4.26Å; F556-W588 HydrophobicContact CD2-CH2 4.22Å; F556-W588 HydrophobicContact CD2-CZ2 4.48Å; F556-W588 HydrophobicContact CE1-CH2 4.29Å; F556-W588 HydrophobicContact CE1-CZ2 4.5Å; F556-W588 AromaticContact CG-CH2 3.54Å; F556-W588 HydrophobicContact CG-CH2 3.54Å; F556-W588 HydrophobicContact CG-CZ2 4.19Å; F556-W588 HydrophobicContact CG-CZ3 4.48Å
557	C	90.3	Very high	96.1	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.02	9%	0.09	C	C	.	.			trans	-140.3	117.6	171.3	168.2	0	0	0	0	108.4	L238 P555 E559 L560 M561	L238-C557 HydrophobicContact CB-CB 4.05Å; L238-C557 HydrophobicContact CD1-CB 4.2Å; P555-C557 VanDerWaalsContact C-N 3.31Å; P555-C557 PolarHBondContact O-N 3.15Å; C557-E559 VanDerWaalsContact C-N 3.32Å; C557-E559 PolarHBondContact O-N 3.28Å; C557-L560 HydrophobicContact CB-CB 3.91Å; C557-L560 PolarHBondContact O-N 2.9Å; C557-L560 PolarHBondContact SG-N 3.22Å; C557-M561 WeakPolarHBondContact O-CG 3.48Å; C557-M561 PolarHBondContact O-N 3.23Å
558	E	90.3	Very high	96.1	Very high	35 Å²	35	15.5 Å²	15.5	16%	0.164	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-43.8	-175.5	-70.1	176.1	-117.6	0	0	111.9	R265 L560 M561 D562 T593	R265-E558 IonicContact CZ-OE1 2.74Å; R265-E558 IonicContact NE-OE1 3.15Å; R265-E558 IonicContact NH2-OE1 3.23Å; R265-E558 PolarHBondContact NH2-OE1 3.11Å; R265-E558 IonicContact NH2-OE2 3.46Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 3.28Å; E558-M561 PolarHBondContact O-N 2.87Å; E558-D562 WeakPolarHBondContact O-CB 3.5Å; E558-D562 PolarHBondContact O-N 2.85Å; E558-T593 HydrophobicContact CG-CG2 4.08Å
559	E	94.7	Very high	96.1	Very high	41 Å²	41	17.2 Å²	17.2	19%	0.192	9%	0.093	C	C	.	.	H	α-helix	trans	-66.1	-37.2	-178.5	-61.3	81.1	-178.1	0	0	111.5	E239 R265 C557 A563	E239-E559 HydrophobicContact CG-CB 3.75Å; E239-E559 HydrophobicContact CG-CG 3.58Å; R265-E559 IonicContact CZ-OE1 3.42Å; R265-E559 IonicContact NH1-OE1 2.72Å; R265-E559 PolarHBondContact NH1-OE1 3.16Å; R265-E559 IonicContact NH2-OE1 2.71Å; R265-E559 PolarHBondContact NH2-OE1 2.78Å; R265-E559 IonicContact NH2-OE2 3.02Å; C557-E559 VanDerWaalsContact C-N 3.32Å; C557-E559 PolarHBondContact O-N 3.28Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 2.77Å; E559-A563 VanDerWaalsContact O-N 3.08Å
560	L	96.2	Very high	96.1	Very high	19 Å²	19	24 Å²	24	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-69.4	-43.5	174	177.2	62.1	0	0	0	111.8	V242 F512 L541 P555 C557 E558 D562 A563 M564	V242-L560 HydrophobicContact CG2-CB 3.89Å; V242-L560 HydrophobicContact CG2-CD1 3.97Å; F512-L560 HydrophobicContact CE1-CD1 4.2Å; F512-L560 HydrophobicContact CE1-CD2 4.17Å; F512-L560 HydrophobicContact CE1-CG 4.29Å; L541-L560 HydrophobicContact CD1-CD1 4.14Å; P555-L560 HydrophobicContact CG-CD2 4.3Å; C557-L560 HydrophobicContact CB-CB 3.91Å; C557-L560 PolarHBondContact O-N 2.9Å; C557-L560 PolarHBondContact SG-N 3.22Å; E558-L560 VanDerWaalsContact C-N 3.34Å; E558-L560 PolarHBondContact O-N 3.28Å; L560-D562 VanDerWaalsContact C-N 3.34Å; L560-A563 PolarHBondContact O-N 3.43Å; L560-M564 WeakPolarHBondContact O-CB 3.2Å; L560-M564 PolarHBondContact O-N 3.15Å
561	M	95.7	Very high	96.1	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-42	177.3	-72.4	-172.9	-81.8	0	0	110.9	P554 C557 E558 M564 V565 I585 W588 A595	P554-M561 HydrophobicContact CB-CG 4.1Å; P554-M561 HydrophobicContact CG-CG 3.77Å; P554-M561 HydrophobicContact CG-SD 4.24Å; C557-M561 WeakPolarHBondContact O-CG 3.48Å; C557-M561 PolarHBondContact O-N 3.23Å; E558-M561 PolarHBondContact O-N 2.87Å; M561-M564 WeakPolarHBondContact O-CB 3.41Å; M561-M564 PolarHBondContact O-N 3.22Å; M561-V565 WeakPolarHBondContact O-CG2 3.46Å; M561-V565 PolarHBondContact O-N 3.47Å; M561-I585 HydrophobicContact SD-CG2 3.98Å; M561-W588 HydrophobicContact CE-CZ3 4.2Å; M561-A595 HydrophobicContact CB-CB 3.53Å
562	D	95.8	Very high	96.1	Very high	54 Å²	54	24.6 Å²	24.6	29%	0.289	13%	0.126	S	C	.	.	H	α-helix	trans	-64.7	-43.8	177.3	-173.1	72.2	0	0	0	112.3	E558 L560 M564 V565 S566 R598	E558-D562 WeakPolarHBondContact O-CB 3.5Å; E558-D562 PolarHBondContact O-N 2.85Å; L560-D562 VanDerWaalsContact C-N 3.34Å; D562-M564 VanDerWaalsContact C-N 3.32Å; D562-M564 PolarHBondContact O-N 3.44Å; D562-V565 PolarHBondContact O-N 3.26Å; D562-S566 PolarHBondContact O-N 3.36Å; D562-S566 VanDerWaalsContact O-N 3.15Å; D562-S566 PolarHBondContact O-OG 2.69Å; D562-R598 PolarHBondContact O-NH1 2.88Å; D562-R598 VanDerWaalsContact O-NH1 3.16Å; D562-R598 WeakPolarHBondContact OD1-CD 3.36Å; D562-R598 IonicContact OD1-CZ 3.38Å; D562-R598 IonicContact OD1-NE 2.87Å; D562-R598 IonicContact OD1-NH1 3.45Å; D562-R598 PolarHBondContact OD1-NH1 3.38Å; D562-R598 IonicContact OD2-NH1 2.86Å; D562-R598 PolarHBondContact OD2-NH1 2.9Å
563	A	98.3	Very high	96.1	Very high	21 Å²	21	29.4 Å²	29.4	17%	0.174	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-38.1	174.2	0	0	0	0	0	112.3	V242 L541 E559 L560 S566 H567	V242-A563 HydrophobicContact CG1-CB 3.64Å; L541-A563 HydrophobicContact CD1-CB 3.94Å; L541-A563 HydrophobicContact CD2-CB 4.22Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 2.77Å; E559-A563 VanDerWaalsContact O-N 3.08Å; L560-A563 PolarHBondContact O-N 3.43Å; A563-S566 PolarHBondContact O-N 3.18Å; A563-H567 WeakPolarHBondContact O-CB 3.38Å; A563-H567 PolarHBondContact O-N 3.13Å
564	M	98.6	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.6	-44.9	174.5	175.8	-160.6	74.4	0	0	111.5	F512 A552 P554 L560 M561 D562 H567 F568 V583 M599	F512-M564 HydrophobicContact CD2-SD 4.37Å; F512-M564 HydrophobicContact CE2-CG 3.79Å; F512-M564 HydrophobicContact CE2-SD 3.36Å; F512-M564 WeakPolarHBondContact CE2-SD 3.31Å; F512-M564 HydrophobicContact CZ-CB 4.07Å; F512-M564 HydrophobicContact CZ-CG 3.77Å; F512-M564 HydrophobicContact CZ-SD 3.79Å; A552-M564 HydrophobicContact CB-SD 4.42Å; P554-M564 HydrophobicContact CB-SD 4Å; P554-M564 HydrophobicContact CG-CE 4.14Å; P554-M564 HydrophobicContact CG-SD 3.8Å; L560-M564 WeakPolarHBondContact O-CB 3.2Å; L560-M564 PolarHBondContact O-N 3.15Å; M561-M564 WeakPolarHBondContact O-CB 3.41Å; M561-M564 PolarHBondContact O-N 3.22Å; D562-M564 VanDerWaalsContact C-N 3.32Å; D562-M564 PolarHBondContact O-N 3.44Å; M564-H567 WeakPolarHBondContact O-CB 3.16Å; M564-H567 PolarHBondContact O-N 3.34Å; M564-F568 HydrophobicContact CE-CE2 4.17Å; M564-F568 HydrophobicContact CG-CD1 4.35Å; M564-F568 HydrophobicContact CG-CD2 3.88Å; M564-F568 HydrophobicContact CG-CE1 3.92Å; M564-F568 HydrophobicContact CG-CE2 3.39Å; M564-F568 HydrophobicContact CG-CG 4.34Å; M564-F568 HydrophobicContact CG-CZ 3.42Å; M564-F568 VanDerWaalsContact CG-CZ 3.42Å; M564-F568 WeakPolarHBondContact O-CG 3.41Å; M564-F568 PolarHBondContact O-N 2.99Å; M564-F568 HydrophobicContact SD-CD2 4.41Å; M564-F568 HydrophobicContact SD-CE2 3.59Å; M564-F568 VanDerWaalsContact SD-CE2 3.59Å; M564-F568 HydrophobicContact SD-CZ 3.88Å; M564-V583 HydrophobicContact CE-CG1 3.75Å; M564-M599 HydrophobicContact CE-CE 4.32Å; M564-M599 HydrophobicContact CE-SD 4.1Å
565	V	98.5	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-49.2	177.8	179	0	0	0	0	110.5	M561 D562 H567 F568 E569 A595 R598 M599	M561-V565 WeakPolarHBondContact O-CG2 3.46Å; M561-V565 PolarHBondContact O-N 3.47Å; D562-V565 PolarHBondContact O-N 3.26Å; V565-H567 VanDerWaalsContact C-N 3.28Å; V565-H567 PolarHBondContact O-N 2.99Å; V565-F568 PolarHBondContact O-N 3.47Å; V565-E569 HydrophobicContact CG1-CG 4.42Å; V565-E569 WeakPolarHBondContact O-CG 3.33Å; V565-E569 PolarHBondContact O-N 3.29Å; V565-A595 HydrophobicContact CG2-CB 4.13Å; V565-R598 HydrophobicContact CG1-CB 4.01Å; V565-M599 HydrophobicContact CB-CG 4.31Å; V565-M599 HydrophobicContact CG1-CG 3.94Å; V565-M599 HydrophobicContact CG2-CE 4.07Å; V565-M599 HydrophobicContact CG2-CG 3.37Å; V565-M599 HydrophobicContact CG2-SD 3.78Å
566	S	98.6	Very high	96.5	Very high	51 Å²	51	37.9 Å²	37.9	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-40.9	176.7	-60.5	0	0	0	0	112.5	D562 A563 K570 R598	D562-S566 PolarHBondContact O-N 3.36Å; D562-S566 VanDerWaalsContact O-N 3.15Å; D562-S566 PolarHBondContact O-OG 2.69Å; A563-S566 PolarHBondContact O-N 3.18Å; S566-K570 WeakPolarHBondContact O-CB 3.49Å; S566-K570 PolarHBondContact O-N 3.48Å; S566-K570 VanDerWaalsContact O-N 3.1Å; S566-R598 PolarHBondContact OG-NH1 3.26Å; S566-R598 PolarHBondContact OG-NH2 2.97Å
567	H	98.8	Very high	97.1	Very high	28 Å²	28	39.1 Å²	39.1	13%	0.13	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-49.3	177.4	-176.1	55.9	0	0	0	111.8	C540 L541 F543 A563 M564 V565 E569 K570 L571	C540-H567 PolarHBondContact O-NE2 3.49Å; L541-H567 HydrophobicContact CD2-CB 3.98Å; L541-H567 PolarHBondContact O-CE1 3.49Å; F543-H567 PolarHBondContact O-CE1 2.92Å; F543-H567 VanDerWaalsContact O-CE1 3.3Å; F543-H567 PolarHBondContact O-NE2 3.17Å; A563-H567 WeakPolarHBondContact O-CB 3.38Å; A563-H567 PolarHBondContact O-N 3.13Å; M564-H567 WeakPolarHBondContact O-CB 3.16Å; M564-H567 PolarHBondContact O-N 3.34Å; V565-H567 VanDerWaalsContact C-N 3.28Å; V565-H567 PolarHBondContact O-N 2.99Å; H567-E569 PolarHBondContact O-N 2.89Å; H567-K570 PolarHBondContact O-N 3.1Å; H567-L571 VanDerWaalsContact O-CG 3.29Å; H567-L571 WeakPolarHBondContact O-CG 3.36Å; H567-L571 PolarHBondContact O-N 3.04Å
568	F	98.8	Very high	97.5	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-44.5	179.7	-68.7	-7.5	0	0	0	112	C511 F512 A552 M564 V565 K570 L571 L572 F581 V583	C511-F568 HydrophobicContact CB-CZ 4.16Å; F512-F568 HydrophobicContact CE2-CZ 4.32Å; A552-F568 HydrophobicContact CB-CE2 3.8Å; A552-F568 HydrophobicContact CB-CZ 3.84Å; M564-F568 HydrophobicContact CE-CE2 4.17Å; M564-F568 HydrophobicContact CG-CD1 4.35Å; M564-F568 HydrophobicContact CG-CD2 3.88Å; M564-F568 HydrophobicContact CG-CE1 3.92Å; M564-F568 HydrophobicContact CG-CE2 3.39Å; M564-F568 HydrophobicContact CG-CG 4.34Å; M564-F568 HydrophobicContact CG-CZ 3.42Å; M564-F568 VanDerWaalsContact CG-CZ 3.42Å; M564-F568 WeakPolarHBondContact O-CG 3.41Å; M564-F568 PolarHBondContact O-N 2.99Å; M564-F568 HydrophobicContact SD-CD2 4.41Å; M564-F568 HydrophobicContact SD-CE2 3.59Å; M564-F568 VanDerWaalsContact SD-CE2 3.59Å; M564-F568 HydrophobicContact SD-CZ 3.88Å; V565-F568 PolarHBondContact O-N 3.47Å; F568-K570 VanDerWaalsContact C-N 3.35Å; F568-K570 PolarHBondContact O-N 3.39Å; F568-L571 PolarHBondContact O-N 3.41Å; F568-L572 WeakPolarHBondContact O-CB 3.36Å; F568-L572 WeakPolarHBondContact O-CD1 3.12Å; F568-L572 WeakPolarHBondContact O-CG 3.5Å; F568-L572 PolarHBondContact O-N 3.01Å; F568-F581 HydrophobicContact CB-CD2 4.15Å; F568-F581 HydrophobicContact CB-CE2 4.33Å; F568-F581 HydrophobicContact CB-CG 4.48Å; F568-F581 AromaticContact CD1-CD1 3.86Å; F568-F581 HydrophobicContact CD1-CD1 3.86Å; F568-F581 HydrophobicContact CD1-CD2 4.39Å; F568-F581 AromaticContact CD1-CE1 3.73Å; F568-F581 HydrophobicContact CD1-CE1 3.73Å; F568-F581 HydrophobicContact CD1-CE2 4.25Å; F568-F581 HydrophobicContact CD1-CG 4.21Å; F568-F581 AromaticContact CD1-CZ 3.93Å; F568-F581 HydrophobicContact CD1-CZ 3.93Å; F568-F581 HydrophobicContact CD2-CB 4Å; F568-F581 HydrophobicContact CD2-CD1 4.1Å; F568-F581 HydrophobicContact CD2-CD2 4.42Å; F568-F581 AromaticContact CD2-CG 3.92Å; F568-F581 HydrophobicContact CD2-CG 3.92Å; F568-F581 AromaticContact CE1-CD1 3.7Å; F568-F581 HydrophobicContact CE1-CD1 3.7Å; F568-F581 AromaticContact CE1-CE1 3.63Å; F568-F581 HydrophobicContact CE1-CE1 3.63Å; F568-F581 HydrophobicContact CE1-CG 4.42Å; F568-F581 HydrophobicContact CE1-CZ 4.28Å; F568-F581 HydrophobicContact CE2-CB 4.15Å; F568-F581 AromaticContact CE2-CD1 3.93Å; F568-F581 HydrophobicContact CE2-CD1 3.93Å; F568-F581 HydrophobicContact CE2-CG 4.14Å; F568-F581 HydrophobicContact CG-CB 4.5Å; F568-F581 HydrophobicContact CG-CD1 4.07Å; F568-F581 HydrophobicContact CG-CD2 4.09Å; F568-F581 HydrophobicContact CG-CE1 4.31Å; F568-F581 HydrophobicContact CG-CE2 4.32Å; F568-F581 AromaticContact CG-CG 3.96Å; F568-F581 HydrophobicContact CG-CG 3.96Å; F568-F581 HydrophobicContact CG-CZ 4.44Å; F568-F581 AromaticContact CZ-CD1 3.74Å; F568-F581 HydrophobicContact CZ-CD1 3.74Å; F568-F581 HydrophobicContact CZ-CE1 4.13Å; F568-F581 HydrophobicContact CZ-CG 4.39Å; F568-V583 HydrophobicContact CD2-CG2 4.21Å; F568-V583 HydrophobicContact CE2-CG2 3.98Å
569	E	98.7	Very high	97.9	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-46	176.1	-69.8	-170.7	129.9	0	0	111	V565 H567 L571 L572 E573 R598 S602 F604	V565-E569 HydrophobicContact CG1-CG 4.42Å; V565-E569 WeakPolarHBondContact O-CG 3.33Å; V565-E569 PolarHBondContact O-N 3.29Å; H567-E569 PolarHBondContact O-N 2.89Å; E569-L571 VanDerWaalsContact C-N 3.32Å; E569-L571 PolarHBondContact O-N 3.39Å; E569-L572 PolarHBondContact O-N 3.42Å; E569-E573 WeakPolarHBondContact O-CB 3.47Å; E569-E573 WeakPolarHBondContact O-CG 3.42Å; E569-E573 PolarHBondContact O-N 3.5Å; E569-R598 IonicContact OE2-NH2 3.4Å; E569-R598 PolarHBondContact OE2-NH2 3.31Å; E569-S602 VanDerWaalsContact OE1-CB 3.24Å; E569-S602 WeakPolarHBondContact OE1-CB 3.35Å; E569-S602 PolarHBondContact OE1-OG 2.99Å; E569-F604 HydrophobicContact CG-CD2 4.4Å
570	K	98.8	Very high	98.1	Very high	142 Å²	142	36.7 Å²	36.7	62%	0.617	20%	0.203	S	C	*	.	H	α-helix	trans	-58.6	-40.9	176.6	-176.6	-179.1	178.5	-177.3	0	112.8	S566 H567 F568 S574	S566-K570 WeakPolarHBondContact O-CB 3.49Å; S566-K570 PolarHBondContact O-N 3.48Å; S566-K570 VanDerWaalsContact O-N 3.1Å; H567-K570 PolarHBondContact O-N 3.1Å; F568-K570 VanDerWaalsContact C-N 3.35Å; F568-K570 PolarHBondContact O-N 3.39Å; K570-S574 WeakPolarHBondContact O-CB 3.34Å; K570-S574 PolarHBondContact O-N 2.85Å; K570-S574 VanDerWaalsContact O-N 3.1Å; K570-S574 PolarHBondContact O-OG 3.35Å
571	L	98.8	Very high	98.3	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-44.4	178	-65.6	170.7	0	0	0	111.8	A544 P545 H567 F568 E569 E573 S574 S575 L579 F581	A544-L571 HydrophobicContact CB-CD2 3.96Å; P545-L571 HydrophobicContact CG-CD1 4.04Å; H567-L571 VanDerWaalsContact O-CG 3.29Å; H567-L571 WeakPolarHBondContact O-CG 3.36Å; H567-L571 PolarHBondContact O-N 3.04Å; F568-L571 PolarHBondContact O-N 3.41Å; E569-L571 VanDerWaalsContact C-N 3.32Å; E569-L571 PolarHBondContact O-N 3.39Å; L571-E573 VanDerWaalsContact C-N 3.29Å; L571-E573 PolarHBondContact O-N 2.93Å; L571-S574 PolarHBondContact O-N 3Å; L571-S575 WeakPolarHBondContact O-CB 3.38Å; L571-S575 PolarHBondContact O-N 2.86Å; L571-L579 HydrophobicContact CB-CD2 3.91Å; L571-F581 HydrophobicContact CD1-CZ 3.91Å
572	L	98.8	Very high	98.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-33.5	178.1	-68.1	165.6	0	0	0	112.1	F568 E569 L579 F581 F604 L644 N646	F568-L572 WeakPolarHBondContact O-CB 3.36Å; F568-L572 WeakPolarHBondContact O-CD1 3.12Å; F568-L572 WeakPolarHBondContact O-CG 3.5Å; F568-L572 PolarHBondContact O-N 3.01Å; E569-L572 PolarHBondContact O-N 3.42Å; L572-L579 HydrophobicContact CD2-CB 4.02Å; L572-L579 HydrophobicContact CD2-CD2 4.05Å; L572-L579 HydrophobicContact CD2-CG 3.89Å; L572-L579 WeakPolarHBondContact CD2-O 3.43Å; L572-L579 HydrophobicContact CG-CD2 4.45Å; L572-F581 HydrophobicContact CD1-CD2 4.1Å; L572-F581 HydrophobicContact CD2-CD2 4.03Å; L572-F581 HydrophobicContact CD2-CE2 4.11Å; L572-F581 HydrophobicContact CG-CD2 4.06Å; L572-F581 HydrophobicContact CG-CE2 4.05Å; L572-F604 HydrophobicContact CB-CD1 3.92Å; L572-F604 HydrophobicContact CB-CD2 4.03Å; L572-F604 HydrophobicContact CB-CE1 3.92Å; L572-F604 HydrophobicContact CB-CE2 4.04Å; L572-F604 HydrophobicContact CB-CG 3.97Å; L572-F604 HydrophobicContact CB-CZ 3.97Å; L572-F604 HydrophobicContact CD1-CB 3.84Å; L572-F604 HydrophobicContact CD1-CD1 4.48Å; L572-F604 HydrophobicContact CD1-CD2 4.15Å; L572-F604 HydrophobicContact CD1-CG 3.9Å; L572-L644 HydrophobicContact CD1-CB 3.95Å; L572-N646 HydrophobicContact CB-CB 4.42Å; L572-N646 HydrophobicContact CD2-CB 4.1Å
573	E	98.6	Very high	98.6	Very high	101 Å²	101	33.1 Å²	33.1	47%	0.472	18%	0.184	S	C	.	.	H	α-helix	trans	-70.5	-42.7	175.5	-76.3	-177.1	164.3	0	0	113.5	E569 L571 R603 F604	E569-E573 WeakPolarHBondContact O-CB 3.47Å; E569-E573 WeakPolarHBondContact O-CG 3.42Å; E569-E573 PolarHBondContact O-N 3.5Å; L571-E573 VanDerWaalsContact C-N 3.29Å; L571-E573 PolarHBondContact O-N 2.93Å; E573-R603 IonicContact OE1-CZ 2.83Å; E573-R603 IonicContact OE1-NH1 3.83Å; E573-R603 PolarHBondContact OE1-NH1 3.42Å; E573-R603 IonicContact OE1-NH2 3.99Å; E573-R603 PolarHBondContact OE1-NH2 3.23Å; E573-F604 HydrophobicContact CB-CZ 4.33Å; E573-F604 HydrophobicContact CG-CE2 3.57Å; E573-F604 HydrophobicContact CG-CZ 3.47Å; E573-F604 VanDerWaalsContact CG-CZ 3.47Å
574	S	97.4	Very high	98.5	Very high	82 Å²	82	32.2 Å²	32.2	57%	0.573	18%	0.176	S	C	*	.	H	α-helix	trans	-89	-10.4	-169.3	56.8	0	0	0	0	114.1	K570 L571	K570-S574 WeakPolarHBondContact O-CB 3.34Å; K570-S574 PolarHBondContact O-N 2.85Å; K570-S574 VanDerWaalsContact O-N 3.1Å; K570-S574 PolarHBondContact O-OG 3.35Å; L571-S574 PolarHBondContact O-N 3Å
575	S	97.7	Very high	98.3	Very high	10 Å²	10	32.3 Å²	32.3	7%	0.07	18%	0.176	C	C	.	.			trans	-107.6	127	-179.1	-172	0	0	0	0	113.4	L546 L571 E577 N646	L546-S575 VanDerWaalsContact O-CB 3.28Å; L546-S575 WeakPolarHBondContact O-CB 3.41Å; L546-S575 PolarHBondContact O-OG 3.29Å; L571-S575 WeakPolarHBondContact O-CB 3.38Å; L571-S575 PolarHBondContact O-N 2.86Å; S575-E577 VanDerWaalsContact C-N 3.28Å; S575-E577 PolarHBondContact OG-N 3.43Å; S575-E577 VanDerWaalsContact OG-N 3.13Å; S575-N646 PolarHBondContact O-ND2 3.44Å
576	P	97.6	Very high	97.7	Very high	107 Å²	107	32.8 Å²	32.8	70%	0.695	18%	0.18	S	C	*	.			trans	-83.2	-1.9	168.8	36.6	-36	0	0	0	113.1	P648	P576-P648 WeakPolarHBondContact O-CG 3.36Å
577	E	98.6	Very high	97.2	Very high	71 Å²	71	31.9 Å²	31.9	33%	0.332	17%	0.17	S	C	.	.	S	Bend	trans	-90.3	158.2	-178.5	-63.1	-61.3	145.7	0	0	111.7	S575 L579 N646 P648	S575-E577 VanDerWaalsContact C-N 3.28Å; S575-E577 PolarHBondContact OG-N 3.43Å; S575-E577 VanDerWaalsContact OG-N 3.13Å; E577-L579 PolarHBondContact O-N 3.34Å; E577-L579 VanDerWaalsContact O-N 3.08Å; E577-N646 PolarHBondContact O-ND2 3.43Å; E577-P648 WeakPolarHBondContact O-CG 3.34Å
578	P	98.9	Very high	96.3	Very high	27 Å²	27	32.5 Å²	32.5	18%	0.175	17%	0.171	C	C	.	.			trans	-58.7	116.6	179.8	-21.3	30.7	0	0	0	112	S547 G548 P648 K652 W653	S547-P578 VanDerWaalsContact CA-O 3.31Å; S547-P578 WeakPolarHBondContact CA-O 3.39Å; S547-P578 PolarHBondContact OG-O 3.49Å; G548-P578 PolarHBondContact N-O 3.39Å; P578-P648 HydrophobicContact CB-CB 4.36Å; P578-P648 HydrophobicContact CG-CB 4.1Å; P578-K652 HydrophobicContact CB-CB 4.48Å; P578-K652 HydrophobicContact CB-CD 3.97Å; P578-K652 HydrophobicContact CG-CD 4.22Å; P578-W653 HydrophobicContact CB-CH2 4.08Å; P578-W653 HydrophobicContact CB-CZ3 3.8Å
579	L	98.9	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129.7	-177.7	-168.5	62.6	0	0	0	111.2	G548 F550 L571 L572 E577 F581 Q645 N646	G548-L579 WeakPolarHBondContact O-CA 3.43Å; F550-L579 HydrophobicContact CD2-CD1 4.06Å; F550-L579 HydrophobicContact CE2-CD1 3.52Å; L571-L579 HydrophobicContact CB-CD2 3.91Å; L572-L579 HydrophobicContact CD2-CB 4.02Å; L572-L579 HydrophobicContact CD2-CD2 4.05Å; L572-L579 HydrophobicContact CD2-CG 3.89Å; L572-L579 WeakPolarHBondContact CD2-O 3.43Å; L572-L579 HydrophobicContact CG-CD2 4.45Å; E577-L579 PolarHBondContact O-N 3.34Å; E577-L579 VanDerWaalsContact O-N 3.08Å; L579-F581 HydrophobicContact CD1-CE2 4.17Å; L579-F581 HydrophobicContact CD1-CZ 4.17Å; L579-F581 HydrophobicContact CD2-CE2 3.89Å; L579-F581 HydrophobicContact CD2-CZ 4.33Å; L579-F581 HydrophobicContact CG-CE2 3.79Å; L579-F581 HydrophobicContact CG-CZ 4.27Å; L579-Q645 WeakPolarHBondContact O-CA 3.43Å; L579-N646 PolarHBondContact N-OD1 3.08Å; L579-N646 PolarHBondContact O-N 2.85Å; L579-N646 PolarHBondContact O-OD1 2.92Å; L579-N646 VanDerWaalsContact O-OD1 3.1Å
580	S	98.9	Very high	93.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	128.8	-174.3	172.5	0	0	0	0	111.6	G548 S549 F550 Q645	G548-S580 PolarHBondContact O-N 2.91Å; S549-S580 WeakPolarHBondContact CA-O 3.24Å; F550-S580 WeakPolarHBondContact CD2-O 3.49Å; F550-S580 PolarHBondContact N-O 2.97Å; S580-Q645 WeakPolarHBondContact OG-CG 3.48Å; S580-Q645 PolarHBondContact OG-NE2 2.94Å
581	F	98.9	Very high	92.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.6	170.8	-60.8	-85	0	0	0	109.6	P545 F550 F568 L571 L572 L579 V583 L644	P545-F581 HydrophobicContact CG-CZ 4.24Å; F550-F581 HydrophobicContact CB-CD1 3.61Å; F550-F581 HydrophobicContact CB-CE1 3.92Å; F550-F581 HydrophobicContact CB-CG 4.49Å; F550-F581 HydrophobicContact CD1-CE1 4.49Å; F550-F581 HydrophobicContact CD2-CD1 4.11Å; F550-F581 AromaticContact CD2-CE1 3.74Å; F550-F581 HydrophobicContact CD2-CE1 3.74Å; F550-F581 HydrophobicContact CD2-CZ 4.16Å; F550-F581 HydrophobicContact CE2-CE1 4.44Å; F550-F581 HydrophobicContact CG-CD1 4.01Å; F550-F581 AromaticContact CG-CE1 3.79Å; F550-F581 HydrophobicContact CG-CE1 3.79Å; F568-F581 HydrophobicContact CB-CD2 4.15Å; F568-F581 HydrophobicContact CB-CE2 4.33Å; F568-F581 HydrophobicContact CB-CG 4.48Å; F568-F581 AromaticContact CD1-CD1 3.86Å; F568-F581 HydrophobicContact CD1-CD1 3.86Å; F568-F581 HydrophobicContact CD1-CD2 4.39Å; F568-F581 AromaticContact CD1-CE1 3.73Å; F568-F581 HydrophobicContact CD1-CE1 3.73Å; F568-F581 HydrophobicContact CD1-CE2 4.25Å; F568-F581 HydrophobicContact CD1-CG 4.21Å; F568-F581 AromaticContact CD1-CZ 3.93Å; F568-F581 HydrophobicContact CD1-CZ 3.93Å; F568-F581 HydrophobicContact CD2-CB 4Å; F568-F581 HydrophobicContact CD2-CD1 4.1Å; F568-F581 HydrophobicContact CD2-CD2 4.42Å; F568-F581 AromaticContact CD2-CG 3.92Å; F568-F581 HydrophobicContact CD2-CG 3.92Å; F568-F581 AromaticContact CE1-CD1 3.7Å; F568-F581 HydrophobicContact CE1-CD1 3.7Å; F568-F581 AromaticContact CE1-CE1 3.63Å; F568-F581 HydrophobicContact CE1-CE1 3.63Å; F568-F581 HydrophobicContact CE1-CG 4.42Å; F568-F581 HydrophobicContact CE1-CZ 4.28Å; F568-F581 HydrophobicContact CE2-CB 4.15Å; F568-F581 AromaticContact CE2-CD1 3.93Å; F568-F581 HydrophobicContact CE2-CD1 3.93Å; F568-F581 HydrophobicContact CE2-CG 4.14Å; F568-F581 HydrophobicContact CG-CB 4.5Å; F568-F581 HydrophobicContact CG-CD1 4.07Å; F568-F581 HydrophobicContact CG-CD2 4.09Å; F568-F581 HydrophobicContact CG-CE1 4.31Å; F568-F581 HydrophobicContact CG-CE2 4.32Å; F568-F581 AromaticContact CG-CG 3.96Å; F568-F581 HydrophobicContact CG-CG 3.96Å; F568-F581 HydrophobicContact CG-CZ 4.44Å; F568-F581 AromaticContact CZ-CD1 3.74Å; F568-F581 HydrophobicContact CZ-CD1 3.74Å; F568-F581 HydrophobicContact CZ-CE1 4.13Å; F568-F581 HydrophobicContact CZ-CG 4.39Å; L571-F581 HydrophobicContact CD1-CZ 3.91Å; L572-F581 HydrophobicContact CD1-CD2 4.1Å; L572-F581 HydrophobicContact CD2-CD2 4.03Å; L572-F581 HydrophobicContact CD2-CE2 4.11Å; L572-F581 HydrophobicContact CG-CD2 4.06Å; L572-F581 HydrophobicContact CG-CE2 4.05Å; L579-F581 HydrophobicContact CD1-CE2 4.17Å; L579-F581 HydrophobicContact CD1-CZ 4.17Å; L579-F581 HydrophobicContact CD2-CE2 3.89Å; L579-F581 HydrophobicContact CD2-CZ 4.33Å; L579-F581 HydrophobicContact CG-CE2 3.79Å; L579-F581 HydrophobicContact CG-CZ 4.27Å; F581-V583 HydrophobicContact CB-CG2 4.36Å; F581-L644 HydrophobicContact CB-CB 4.46Å; F581-L644 PolarHBondContact N-O 3Å; F581-L644 PolarHBondContact O-N 3.01Å
582	I	98.9	Very high	91.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.3	172.8	-54.5	177.6	0	0	0	107.3	L501 F505 V507 F550 A552 F584 V641 L642 F643	L501-I582 HydrophobicContact CD2-CD1 3.84Å; L501-I582 HydrophobicContact CD2-CG2 4.21Å; F505-I582 HydrophobicContact CB-CD1 3.65Å; F505-I582 HydrophobicContact CD2-CD1 3.88Å; F505-I582 HydrophobicContact CG-CD1 3.75Å; V507-I582 HydrophobicContact CG2-CD1 3.89Å; F550-I582 PolarHBondContact O-N 2.98Å; A552-I582 PolarHBondContact N-O 2.89Å; I582-F584 HydrophobicContact CG2-CD2 4.47Å; I582-F584 HydrophobicContact CG2-CE2 3.7Å; I582-F584 HydrophobicContact CG2-CZ 4.22Å; I582-V641 HydrophobicContact CG2-CG1 3.73Å; I582-L642 WeakPolarHBondContact CA-O 3.46Å; I582-F643 HydrophobicContact CD1-CD1 3.92Å; I582-F643 HydrophobicContact CD1-CE1 3.55Å; I582-F643 HydrophobicContact CD1-CZ 4.4Å; I582-F643 HydrophobicContact CG1-CD1 3.78Å; I582-F643 HydrophobicContact CG1-CE1 3.89Å; I582-F643 HydrophobicContact CG2-CD1 4.42Å; I582-F643 HydrophobicContact CG2-CE1 4.16Å; I582-F643 HydrophobicContact CG2-CE2 4.46Å; I582-F643 HydrophobicContact CG2-CZ 4.17Å
583	V	98.8	Very high	91.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.4	-169.9	-171.5	0	0	0	0	110.5	A552 M564 F568 F581 I585 M599 V641 L642 L644	A552-V583 HydrophobicContact CB-CG2 4.29Å; A552-V583 CarbonylContact O-C 3.54Å; A552-V583 VanDerWaalsContact O-CA 3.26Å; A552-V583 WeakPolarHBondContact O-CA 3.43Å; M564-V583 HydrophobicContact CE-CG1 3.75Å; F568-V583 HydrophobicContact CD2-CG2 4.21Å; F568-V583 HydrophobicContact CE2-CG2 3.98Å; F581-V583 HydrophobicContact CB-CG2 4.36Å; V583-I585 HydrophobicContact CG1-CG2 4.04Å; V583-M599 HydrophobicContact CB-SD 4.12Å; V583-M599 HydrophobicContact CG1-CE 4.19Å; V583-M599 HydrophobicContact CG1-SD 3.81Å; V583-M599 HydrophobicContact CG2-SD 4.16Å; V583-V641 CarbonylContact O-C 3.43Å; V583-V641 VanDerWaalsContact O-CA 3.25Å; V583-V641 WeakPolarHBondContact O-CA 3.16Å; V583-L642 PolarHBondContact N-O 3.08Å; V583-L642 PolarHBondContact O-N 2.92Å; V583-L644 HydrophobicContact CG2-CD1 4.2Å
584	F	97.8	Very high	90.9	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.1	175.5	-67.2	-103.4	0	0	0	109	L493 L501 E551 A552 N553 I582 L611 T639 V641 Y667	L493-F584 HydrophobicContact CD1-CD1 4.23Å; L493-F584 HydrophobicContact CD1-CD2 3.89Å; L493-F584 HydrophobicContact CD1-CE1 4.04Å; L493-F584 HydrophobicContact CD1-CE2 3.69Å; L493-F584 HydrophobicContact CD1-CG 4.18Å; L493-F584 HydrophobicContact CD1-CZ 3.77Å; L493-F584 HydrophobicContact CD2-CB 4.5Å; L493-F584 HydrophobicContact CD2-CD1 3.82Å; L493-F584 HydrophobicContact CD2-CE1 4.19Å; L493-F584 HydrophobicContact CD2-CG 4.07Å; L501-F584 HydrophobicContact CD1-CE2 4.03Å; L501-F584 HydrophobicContact CD1-CZ 4.06Å; L501-F584 HydrophobicContact CD2-CE2 4.44Å; L501-F584 HydrophobicContact CD2-CZ 4.25Å; E551-F584 HydrophobicContact CG-CD2 4.1Å; E551-F584 HydrophobicContact CG-CE2 3.94Å; A552-F584 PolarHBondContact O-N 3.37Å; N553-F584 HydrophobicContact CB-CB 4.19Å; I582-F584 HydrophobicContact CG2-CD2 4.47Å; I582-F584 HydrophobicContact CG2-CE2 3.7Å; I582-F584 HydrophobicContact CG2-CZ 4.22Å; F584-L611 HydrophobicContact CE1-CD1 4.41Å; F584-T639 HydrophobicContact CB-CG2 4.13Å; F584-T639 HydrophobicContact CD1-CG2 4.1Å; F584-V641 HydrophobicContact CD1-CB 4.45Å; F584-V641 HydrophobicContact CD1-CG1 4.26Å; F584-V641 HydrophobicContact CD1-CG2 3.55Å; F584-V641 HydrophobicContact CE1-CB 4.31Å; F584-V641 HydrophobicContact CE1-CG1 3.83Å; F584-V641 HydrophobicContact CE1-CG2 3.49Å; F584-V641 VanDerWaalsContact CE1-CG2 3.49Å; F584-V641 HydrophobicContact CE2-CG1 4.15Å; F584-V641 HydrophobicContact CG-CG2 4.39Å; F584-V641 HydrophobicContact CZ-CG1 3.76Å; F584-V641 HydrophobicContact CZ-CG2 4.3Å; F584-Y667 VanDerWaalsContact CE1-OH 3.32Å; F584-Y667 WeakPolarHBondContact CE1-OH 2.85Å
585	I	93.1	Very high	90.7	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148	176.5	50	154.6	0	0	0	110.9	P554 M561 V583 E587 L596 M599 T639 A640 L642	P554-I585 HydrophobicContact CG-CG2 3.85Å; M561-I585 HydrophobicContact SD-CG2 3.98Å; V583-I585 HydrophobicContact CG1-CG2 4.04Å; I585-E587 PolarHBondContact O-N 2.93Å; I585-L596 HydrophobicContact CD1-CB 3.66Å; I585-L596 HydrophobicContact CD1-CD1 3.46Å; I585-L596 VanDerWaalsContact CD1-CD1 3.46Å; I585-L596 HydrophobicContact CD1-CG 4.07Å; I585-L596 HydrophobicContact CG1-CD1 4.39Å; I585-M599 HydrophobicContact CD1-CE 3.29Å; I585-M599 HydrophobicContact CG1-CE 4Å; I585-M599 HydrophobicContact CG2-CE 4.37Å; I585-T639 CarbonylContact O-C 3.35Å; I585-T639 WeakPolarHBondContact O-CA 3.37Å; I585-A640 HydrophobicContact CG1-CB 4.36Å; I585-A640 PolarHBondContact N-O 2.73Å; I585-A640 PolarHBondContact O-N 2.87Å; I585-L642 HydrophobicContact CD1-CD1 4.14Å; I585-L642 HydrophobicContact CG1-CD1 3.88Å
586	P	87.3	Confident	90.5	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.071	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	137.1	172.1	-20.7	31.8	0	0	0	110.4	F556 W588 N638	F556-P586 HydrophobicContact CD1-CG 3.8Å; F556-P586 HydrophobicContact CE1-CG 3.07Å; F556-P586 HydrophobicContact CZ-CG 3.57Å; P586-W588 HydrophobicContact CB-CD2 3.9Å; P586-W588 HydrophobicContact CB-CG 4.12Å; P586-W588 HydrophobicContact CB-CZ2 3.95Å; P586-W588 HydrophobicContact CG-CD2 4.47Å; P586-W588 HydrophobicContact CG-CH2 4.23Å; P586-W588 HydrophobicContact CG-CZ2 3.82Å; P586-W588 PolarHBondContact O-N 2.71Å; P586-N638 WeakPolarHBondContact CA-O 3.46Å
587	E	87.5	Confident	90.4	Very high	31 Å²	31	32.1 Å²	32.1	15%	0.145	17%	0.168	C	C	.	.			trans	-80.5	58.7	177.2	-161.7	-169.4	-165.3	0	0	110.4	I585 R589 L596 I610 N638 A640	I585-E587 PolarHBondContact O-N 2.93Å; E587-R589 HydrophobicContact CG-CG 4.06Å; E587-R589 PolarHBondContact O-N 3.22Å; E587-R589 IonicContact OE1-CZ 2.67Å; E587-R589 IonicContact OE1-NE 3.03Å; E587-R589 PolarHBondContact OE1-NE 3.01Å; E587-R589 IonicContact OE1-NH2 3.51Å; E587-R589 PolarHBondContact OE1-NH2 3.41Å; E587-L596 HydrophobicContact CG-CD2 4.4Å; E587-I610 HydrophobicContact CG-CD1 4.36Å; E587-I610 WeakPolarHBondContact OE2-CG2 3.44Å; E587-N638 HydrophobicContact CB-CB 3.71Å; E587-N638 PolarHBondContact N-O 2.72Å; E587-N638 WeakPolarHBondContact OE2-CB 3.44Å; E587-N638 PolarHBondContact OE2-ND2 2.93Å; E587-A640 HydrophobicContact CB-CB 4.35Å; E587-A640 HydrophobicContact CG-CB 4.46Å
588	W	79.9	Confident	90.3	Very high	41 Å²	41	32 Å²	32	16%	0.155	16%	0.164	C	C	.	.			trans	-68.9	112.9	171.2	-61.5	-30.6	0	0	0	108.1	L87 F556 M561 P586 P592 T593	L87-W588 HydrophobicContact CD1-CD2 4.16Å; L87-W588 HydrophobicContact CD1-CE3 3.62Å; L87-W588 HydrophobicContact CD1-CH2 3.62Å; L87-W588 HydrophobicContact CD1-CZ2 4.15Å; L87-W588 HydrophobicContact CD1-CZ3 3.35Å; F556-W588 HydrophobicContact CB-CH2 3.77Å; F556-W588 HydrophobicContact CB-CZ3 4.46Å; F556-W588 AromaticContact CD1-CH2 3.54Å; F556-W588 HydrophobicContact CD1-CH2 3.54Å; F556-W588 HydrophobicContact CD1-CZ2 4.15Å; F556-W588 HydrophobicContact CD1-CZ3 4.26Å; F556-W588 HydrophobicContact CD2-CH2 4.22Å; F556-W588 HydrophobicContact CD2-CZ2 4.48Å; F556-W588 HydrophobicContact CE1-CH2 4.29Å; F556-W588 HydrophobicContact CE1-CZ2 4.5Å; F556-W588 AromaticContact CG-CH2 3.54Å; F556-W588 HydrophobicContact CG-CH2 3.54Å; F556-W588 HydrophobicContact CG-CZ2 4.19Å; F556-W588 HydrophobicContact CG-CZ3 4.48Å; M561-W588 HydrophobicContact CE-CZ3 4.2Å; P586-W588 HydrophobicContact CB-CD2 3.9Å; P586-W588 HydrophobicContact CB-CG 4.12Å; P586-W588 HydrophobicContact CB-CZ2 3.95Å; P586-W588 HydrophobicContact CG-CD2 4.47Å; P586-W588 HydrophobicContact CG-CH2 4.23Å; P586-W588 HydrophobicContact CG-CZ2 3.82Å; P586-W588 PolarHBondContact O-N 2.71Å; W588-P592 VanDerWaalsContact O-CA 3.25Å; W588-P592 WeakPolarHBondContact O-CA 3.46Å; W588-T593 HydrophobicContact CE3-CG2 3.91Å
589	R	76.3	Confident	90.3	Very high	100 Å²	100	30.7 Å²	30.7	38%	0.377	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-113.2	-7	-179.4	-69.8	-170	177.2	-76.1	-7.7	114.1	E587 P591 P592 E600	E587-R589 HydrophobicContact CG-CG 4.06Å; E587-R589 PolarHBondContact O-N 3.22Å; E587-R589 IonicContact OE1-CZ 2.67Å; E587-R589 IonicContact OE1-NE 3.03Å; E587-R589 PolarHBondContact OE1-NE 3.01Å; E587-R589 IonicContact OE1-NH2 3.51Å; E587-R589 PolarHBondContact OE1-NH2 3.41Å; R589-P591 CarbonylContact O-C 3.43Å; R589-P592 WeakPolarHBondContact O-CD 3.45Å; R589-E600 IonicContact CZ-OE1 3.83Å; R589-E600 IonicContact NH1-OE1 3.87Å; R589-E600 IonicContact NH1-OE2 3.41Å; R589-E600 IonicContact NH2-OE1 3.82Å; R589-E600 PolarHBondContact NH2-OE1 3.13Å
590	E	71.1	Confident	90.2	Very high	147 Å²	147	32.7 Å²	32.7	69%	0.687	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.6	81.5	-174.7	-63.4	-61.7	158.7	0	0	110.2	N90	N90-E590 PolarHBondContact ND2-O 2.63Å; N90-E590 PolarHBondContact OD1-O 3.42Å
591	P	74.3	Confident	90.1	Very high	61 Å²	61	39.9 Å²	39.9	40%	0.396	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	cis	-82.3	160.6	-10.2	33.7	-34.2	0	0	0	112.6	L89 R589	L89-P591 HydrophobicContact CB-CG 4.3Å; L89-P591 WeakPolarHBondContact O-CD 3.42Å; R589-P591 CarbonylContact O-C 3.43Å
592	P	78.9	Confident	90.1	Very high	60 Å²	60	40.2 Å²	40.2	39%	0.39	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-71.1	136	176.8	30.1	-29.6	0	0	0	111.3	W588 R589	W588-P592 VanDerWaalsContact O-CA 3.25Å; W588-P592 WeakPolarHBondContact O-CA 3.46Å; R589-P592 WeakPolarHBondContact O-CD 3.45Å
593	T	87	Confident	90.1	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.055	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-64.6	145.7	174.6	63.7	0	0	0	0	110.2	E558 W588 A595 L596 T597	E558-T593 HydrophobicContact CG-CG2 4.08Å; W588-T593 HydrophobicContact CE3-CG2 3.91Å; T593-A595 PolarHBondContact O-N 3.3Å; T593-L596 PolarHBondContact O-N 3.33Å; T593-L596 WeakPolarHBondContact OG1-CB 3.44Å; T593-L596 PolarHBondContact OG1-N 3.02Å; T593-T597 PolarHBondContact O-N 3.22Å; T593-T597 VanDerWaalsContact O-N 3.16Å; T593-T597 PolarHBondContact O-OG1 2.81Å
594	P	91	Very high	90.1	Very high	69 Å²	69	48.9 Å²	48.9	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-54.8	-38.1	174.6	-27.3	35.1	0	0	0	112.4	T597 R598	P594-T597 PolarHBondContact O-N 2.73Å; P594-R598 WeakPolarHBondContact O-CB 3.33Å; P594-R598 VanDerWaalsContact O-CG 3.26Å; P594-R598 WeakPolarHBondContact O-CG 3.34Å; P594-R598 PolarHBondContact O-N 2.94Å
595	A	93.6	Very high	90.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-47.9	178.4	0	0	0	0	0	112.9	M561 V565 T593 R598 M599	M561-A595 HydrophobicContact CB-CB 3.53Å; V565-A595 HydrophobicContact CG2-CB 4.13Å; T593-A595 PolarHBondContact O-N 3.3Å; A595-R598 PolarHBondContact O-N 2.91Å; A595-M599 WeakPolarHBondContact O-CE 3.45Å; A595-M599 WeakPolarHBondContact O-CG 3.45Å; A595-M599 PolarHBondContact O-N 2.89Å
596	L	93.3	Very high	90.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-50.2	176.3	175.3	57.9	0	0	0	110.6	I585 E587 T593 R598 M599 E600 A640 L642	I585-L596 HydrophobicContact CD1-CB 3.66Å; I585-L596 HydrophobicContact CD1-CD1 3.46Å; I585-L596 VanDerWaalsContact CD1-CD1 3.46Å; I585-L596 HydrophobicContact CD1-CG 4.07Å; I585-L596 HydrophobicContact CG1-CD1 4.39Å; E587-L596 HydrophobicContact CG-CD2 4.4Å; T593-L596 PolarHBondContact O-N 3.33Å; T593-L596 WeakPolarHBondContact OG1-CB 3.44Å; T593-L596 PolarHBondContact OG1-N 3.02Å; L596-R598 VanDerWaalsContact C-N 3.34Å; L596-R598 PolarHBondContact O-N 3.23Å; L596-M599 PolarHBondContact O-N 3.38Å; L596-E600 HydrophobicContact CD1-CG 4.09Å; L596-E600 WeakPolarHBondContact O-CG 3.36Å; L596-E600 PolarHBondContact O-N 2.73Å; L596-A640 HydrophobicContact CD1-CB 4.06Å; L596-L642 HydrophobicContact CD1-CD1 4.38Å
597	T	95.3	Very high	90.9	Very high	41 Å²	41	58.1 Å²	58.1	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-44.9	-178.9	-54.9	0	0	0	0	111.7	T593 P594 E600 Q601	T593-T597 PolarHBondContact O-N 3.22Å; T593-T597 VanDerWaalsContact O-N 3.16Å; T593-T597 PolarHBondContact O-OG1 2.81Å; P594-T597 PolarHBondContact O-N 2.73Å; T597-E600 PolarHBondContact O-N 2.86Å; T597-Q601 WeakPolarHBondContact O-CG 3.32Å; T597-Q601 PolarHBondContact O-N 3.19Å; T597-Q601 VanDerWaalsContact O-N 3.15Å
598	R	97.4	Very high	91.4	Very high	68 Å²	68	59 Å²	59	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-42.3	178.2	-75	178.6	61.7	-157.6	-5.2	112.3	D562 V565 S566 E569 P594 A595 L596 Q601 S602	D562-R598 PolarHBondContact O-NH1 2.88Å; D562-R598 VanDerWaalsContact O-NH1 3.16Å; D562-R598 WeakPolarHBondContact OD1-CD 3.36Å; D562-R598 IonicContact OD1-CZ 3.38Å; D562-R598 IonicContact OD1-NE 2.87Å; D562-R598 IonicContact OD1-NH1 3.45Å; D562-R598 PolarHBondContact OD1-NH1 3.38Å; D562-R598 IonicContact OD2-NH1 2.86Å; D562-R598 PolarHBondContact OD2-NH1 2.9Å; V565-R598 HydrophobicContact CG1-CB 4.01Å; S566-R598 PolarHBondContact OG-NH1 3.26Å; S566-R598 PolarHBondContact OG-NH2 2.97Å; E569-R598 IonicContact OE2-NH2 3.4Å; E569-R598 PolarHBondContact OE2-NH2 3.31Å; P594-R598 WeakPolarHBondContact O-CB 3.33Å; P594-R598 VanDerWaalsContact O-CG 3.26Å; P594-R598 WeakPolarHBondContact O-CG 3.34Å; P594-R598 PolarHBondContact O-N 2.94Å; A595-R598 PolarHBondContact O-N 2.91Å; L596-R598 VanDerWaalsContact C-N 3.34Å; L596-R598 PolarHBondContact O-N 3.23Å; R598-Q601 CarbonylContact O-C 3.6Å; R598-Q601 PolarHBondContact O-N 3.35Å; R598-S602 PolarHBondContact O-N 2.87Å
599	M	97.5	Very high	92.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-36.6	176.7	-68	-173.9	-79.1	0	0	112.4	M564 V565 V583 I585 A595 L596 Q601 S602 L642 L644	M564-M599 HydrophobicContact CE-CE 4.32Å; M564-M599 HydrophobicContact CE-SD 4.1Å; V565-M599 HydrophobicContact CB-CG 4.31Å; V565-M599 HydrophobicContact CG1-CG 3.94Å; V565-M599 HydrophobicContact CG2-CE 4.07Å; V565-M599 HydrophobicContact CG2-CG 3.37Å; V565-M599 HydrophobicContact CG2-SD 3.78Å; V583-M599 HydrophobicContact CB-SD 4.12Å; V583-M599 HydrophobicContact CG1-CE 4.19Å; V583-M599 HydrophobicContact CG1-SD 3.81Å; V583-M599 HydrophobicContact CG2-SD 4.16Å; I585-M599 HydrophobicContact CD1-CE 3.29Å; I585-M599 HydrophobicContact CG1-CE 4Å; I585-M599 HydrophobicContact CG2-CE 4.37Å; A595-M599 WeakPolarHBondContact O-CE 3.45Å; A595-M599 WeakPolarHBondContact O-CG 3.45Å; A595-M599 PolarHBondContact O-N 2.89Å; L596-M599 PolarHBondContact O-N 3.38Å; M599-Q601 PolarHBondContact O-N 3.16Å; M599-S602 PolarHBondContact O-N 3.35Å; M599-L642 HydrophobicContact CB-CD2 3.8Å; M599-L642 HydrophobicContact CE-CD1 4.43Å; M599-L644 HydrophobicContact CG-CD1 4.09Å; M599-L644 HydrophobicContact SD-CD1 4.18Å
600	E	96.9	Very high	93.1	Very high	42 Å²	42	56.4 Å²	56.4	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-30.7	174	-72.6	-174.4	152.8	0	0	112.1	R589 L596 T597 K605 Q608 L642	R589-E600 IonicContact CZ-OE1 3.83Å; R589-E600 IonicContact NH1-OE1 3.87Å; R589-E600 IonicContact NH1-OE2 3.41Å; R589-E600 IonicContact NH2-OE1 3.82Å; R589-E600 PolarHBondContact NH2-OE1 3.13Å; L596-E600 HydrophobicContact CD1-CG 4.09Å; L596-E600 WeakPolarHBondContact O-CG 3.36Å; L596-E600 PolarHBondContact O-N 2.73Å; T597-E600 PolarHBondContact O-N 2.86Å; E600-K605 WeakPolarHBondContact O-CD 3.39Å; E600-K605 WeakPolarHBondContact O-CE 3.09Å; E600-K605 PolarHBondContact O-NZ 2.74Å; E600-Q608 PolarHBondContact OE1-NE2 3.35Å; E600-L642 HydrophobicContact CG-CD2 4.12Å
601	Q	97.7	Very high	94.3	Very high	151 Å²	151	49.8 Å²	49.8	71%	0.706	24%	0.242	S	C	*	.	H	α-helix	trans	-96	-7.6	180	-65.9	173.2	7.1	0	0	113.9	T597 R598 M599 R603	T597-Q601 WeakPolarHBondContact O-CG 3.32Å; T597-Q601 PolarHBondContact O-N 3.19Å; T597-Q601 VanDerWaalsContact O-N 3.15Å; R598-Q601 CarbonylContact O-C 3.6Å; R598-Q601 PolarHBondContact O-N 3.35Å; M599-Q601 PolarHBondContact O-N 3.16Å; Q601-R603 PolarHBondContact O-N 3.49Å
602	S	98.4	Very high	95.1	Very high	9 Å²	9	49.4 Å²	49.4	6%	0.063	24%	0.239	C	C	.	.			trans	-61.7	135.3	-176.1	-174.7	0	0	0	0	111.4	E569 R598 M599 F604 K605	E569-S602 VanDerWaalsContact OE1-CB 3.24Å; E569-S602 WeakPolarHBondContact OE1-CB 3.35Å; E569-S602 PolarHBondContact OE1-OG 2.99Å; R598-S602 PolarHBondContact O-N 2.87Å; M599-S602 PolarHBondContact O-N 3.35Å; S602-F604 PolarHBondContact O-N 2.74Å; S602-F604 VanDerWaalsContact O-N 3.13Å; S602-F604 PolarHBondContact OG-N 3.47Å; S602-K605 VanDerWaalsContact O-CB 3.25Å; S602-K605 WeakPolarHBondContact O-CB 3.26Å; S602-K605 PolarHBondContact O-N 2.76Å
603	R	98.4	Very high	95.6	Very high	166 Å²	166	47.7 Å²	47.7	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.3	175.9	72.2	176.8	-173.4	-103.2	13	113.7	E573 Q601	E573-R603 IonicContact OE1-CZ 2.83Å; E573-R603 IonicContact OE1-NH1 3.83Å; E573-R603 PolarHBondContact OE1-NH1 3.42Å; E573-R603 IonicContact OE1-NH2 3.99Å; E573-R603 PolarHBondContact OE1-NH2 3.23Å; Q601-R603 PolarHBondContact O-N 3.49Å
604	F	98.8	Very high	95.6	Very high	16 Å²	16	50.2 Å²	50.2	7%	0.07	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-6.2	176.3	-61.1	-70.9	0	0	0	113.1	E569 L572 E573 S602 R606 L644 Q645 N646	E569-F604 HydrophobicContact CG-CD2 4.4Å; L572-F604 HydrophobicContact CB-CD1 3.92Å; L572-F604 HydrophobicContact CB-CD2 4.03Å; L572-F604 HydrophobicContact CB-CE1 3.92Å; L572-F604 HydrophobicContact CB-CE2 4.04Å; L572-F604 HydrophobicContact CB-CG 3.97Å; L572-F604 HydrophobicContact CB-CZ 3.97Å; L572-F604 HydrophobicContact CD1-CB 3.84Å; L572-F604 HydrophobicContact CD1-CD1 4.48Å; L572-F604 HydrophobicContact CD1-CD2 4.15Å; L572-F604 HydrophobicContact CD1-CG 3.9Å; E573-F604 HydrophobicContact CB-CZ 4.33Å; E573-F604 HydrophobicContact CG-CE2 3.57Å; E573-F604 HydrophobicContact CG-CZ 3.47Å; E573-F604 VanDerWaalsContact CG-CZ 3.47Å; S602-F604 PolarHBondContact O-N 2.74Å; S602-F604 VanDerWaalsContact O-N 3.13Å; S602-F604 PolarHBondContact OG-N 3.47Å; F604-R606 WeakPolarHBondContact O-CG 3.32Å; F604-R606 PolarHBondContact O-N 2.86Å; F604-L644 WeakPolarHBondContact O-CA 3.22Å; F604-Q645 PolarHBondContact O-N 3.25Å; F604-N646 HydrophobicContact CD1-CB 4.44Å; F604-N646 HydrophobicContact CE1-CB 4.36Å
605	K	98.8	Very high	95.6	Very high	72 Å²	72	54 Å²	54	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	117.9	176.7	-171.4	-178	80.5	175.1	0	110.3	E600 S602 Q608 L642 F643 L644	E600-K605 WeakPolarHBondContact O-CD 3.39Å; E600-K605 WeakPolarHBondContact O-CE 3.09Å; E600-K605 PolarHBondContact O-NZ 2.74Å; S602-K605 VanDerWaalsContact O-CB 3.25Å; S602-K605 WeakPolarHBondContact O-CB 3.26Å; S602-K605 PolarHBondContact O-N 2.76Å; K605-Q608 HydrophobicContact CD-CB 4.48Å; K605-L642 HydrophobicContact CD-CD2 4.42Å; K605-F643 WeakPolarHBondContact CA-O 3.41Å; K605-L644 HydrophobicContact CB-CD2 4.05Å; K605-L644 HydrophobicContact CG-CD2 4.49Å
606	R	98.6	Very high	95.5	Very high	71 Å²	71	54 Å²	54	27%	0.268	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-30.7	178.3	-53.8	-52.3	178.7	161.4	6.1	113	F604 F643 Q645 D647 F650 P655	F604-R606 WeakPolarHBondContact O-CG 3.32Å; F604-R606 PolarHBondContact O-N 2.86Å; R606-F643 PolarHBondContact N-O 3.49Å; R606-Q645 HydrophobicContact CG-CB 3.86Å; R606-Q645 HydrophobicContact CG-CG 4.22Å; R606-Q645 PolarHBondContact NE-O 3.42Å; R606-Q645 PolarHBondContact NH2-O 2.75Å; R606-D647 IonicContact CZ-OD1 3.61Å; R606-D647 IonicContact NH1-OD1 2.7Å; R606-D647 IonicContact NH2-OD1 3.51Å; R606-D647 PolarHBondContact NH2-OD1 2.93Å; R606-F650 HydrophobicContact CB-CD2 3.7Å; R606-F650 HydrophobicContact CB-CE2 3.84Å; R606-F650 HydrophobicContact CG-CB 4.27Å; R606-F650 HydrophobicContact CG-CD2 3.49Å; R606-F650 VanDerWaalsContact CG-CD2 3.49Å; R606-F650 HydrophobicContact CG-CE2 4.08Å; R606-F650 HydrophobicContact CG-CG 4.1Å; R606-P655 HydrophobicContact CB-CG 4.07Å
607	H	98.6	Very high	95.4	Very high	65 Å²	65	55.5 Å²	55.5	30%	0.301	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.3	175.6	-164.4	72.2	0	0	0	110.8	F643 P655 L660	H607-F643 HydrophobicContact CB-CB 4.31Å; H607-F643 HydrophobicContact CB-CD2 3.98Å; H607-F643 HydrophobicContact CB-CG 4.33Å; H607-F643 PolarHBondContact O-N 2.98Å; H607-P655 HydrophobicContact CB-CB 3.9Å; H607-P655 HydrophobicContact CB-CG 3.68Å; H607-L660 VanDerWaalsContact CD2-CD1 3.5Å; H607-L660 WeakPolarHBondContact CD2-CD1 3.39Å; H607-L660 VanDerWaalsContact CD2-CD2 3.49Å; H607-L660 WeakPolarHBondContact CD2-CD2 3.31Å; H607-L660 WeakPolarHBondContact NE2-CD1 3.49Å
608	Q	97.9	Very high	95.3	Very high	49 Å²	49	54.2 Å²	54.2	23%	0.229	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	124.6	172.4	178	175.4	-3.6	0	0	108.5	E600 K605 I610 V641 L642	E600-Q608 PolarHBondContact OE1-NE2 3.35Å; K605-Q608 HydrophobicContact CD-CB 4.48Å; Q608-I610 HydrophobicContact CG-CD1 4.39Å; Q608-V641 WeakPolarHBondContact CA-O 3.26Å; Q608-L642 HydrophobicContact CG-CD2 4.36Å; Q608-L642 HydrophobicContact CG-CG 4.34Å
609	L	96.3	Very high	95	Very high	28 Å²	28	51 Å²	51	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.2	176.8	176.6	91.2	0	0	0	108.2	L611 V641	L609-L611 HydrophobicContact CD2-CD2 3.73Å; L609-L611 HydrophobicContact CD2-CG 4.4Å; L609-V641 HydrophobicContact CB-CB 4.22Å; L609-V641 HydrophobicContact CD2-CB 4.44Å; L609-V641 HydrophobicContact CD2-CG2 4.39Å; L609-V641 PolarHBondContact N-O 2.89Å; L609-V641 PolarHBondContact O-N 3.35Å
610	I	96.4	Very high	94.7	Very high	58 Å²	58	51.5 Å²	51.5	30%	0.297	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.5	172.1	-56.6	-55.1	0	0	0	108.8	E587 Q608 P612 N638 A640	E587-I610 HydrophobicContact CG-CD1 4.36Å; E587-I610 WeakPolarHBondContact OE2-CG2 3.44Å; Q608-I610 HydrophobicContact CG-CD1 4.39Å; I610-P612 WeakPolarHBondContact O-CD 3.46Å; I610-N638 HydrophobicContact CG2-CB 3.99Å; I610-A640 HydrophobicContact CD1-CB 3.79Å
611	L	94.6	Very high	94.2	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.7	168.9	-57.8	175.4	0	0	0	108	F584 L609 H616 N638 T639 V641 Y667	F584-L611 HydrophobicContact CE1-CD1 4.41Å; L609-L611 HydrophobicContact CD2-CD2 3.73Å; L609-L611 HydrophobicContact CD2-CG 4.4Å; L611-H616 HydrophobicContact CB-CB 4.3Å; L611-H616 PolarHBondContact O-CE1 3.09Å; L611-H616 VanDerWaalsContact O-CE1 3.27Å; L611-N638 CarbonylContact O-C 3.48Å; L611-N638 VanDerWaalsContact O-CA 3.25Å; L611-N638 WeakPolarHBondContact O-CA 3.32Å; L611-T639 HydrophobicContact CD1-CG2 4.38Å; L611-T639 PolarHBondContact N-O 3.15Å; L611-T639 PolarHBondContact O-N 3.47Å; L611-V641 HydrophobicContact CD1-CG2 3.78Å; L611-V641 HydrophobicContact CG-CG2 3.93Å; L611-Y667 HydrophobicContact CD1-CD2 4.19Å; L611-Y667 HydrophobicContact CD1-CE1 3.93Å; L611-Y667 HydrophobicContact CD1-CE2 3.5Å; L611-Y667 VanDerWaalsContact CD1-CE2 3.5Å; L611-Y667 WeakPolarHBondContact CD1-OH 3.35Å; L611-Y667 HydrophobicContact CD2-CD2 3.88Å; L611-Y667 HydrophobicContact CD2-CE2 3.92Å; L611-Y667 HydrophobicContact CD2-CG 4.46Å; L611-Y667 HydrophobicContact CG-CE2 4.38Å
612	P	92.7	Very high	93.8	Very high	53 Å²	53	44.8 Å²	44.8	34%	0.344	22%	0.218	S	C	.	.			trans	-64.6	143.6	-174.6	-21.6	33.4	0	0	0	112.5	I610 E615 H616	I610-P612 WeakPolarHBondContact O-CD 3.46Å; P612-E615 HydrophobicContact CB-CB 4.1Å; P612-E615 HydrophobicContact CB-CG 4.1Å; P612-E615 PolarHBondContact O-N 3.37Å; P612-H616 PolarHBondContact O-CE1 3.34Å; P612-H616 PolarHBondContact O-ND1 3.4Å
613	A	88.7	Confident	93.5	Very high	23 Å²	23	44.4 Å²	44.4	19%	0.19	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	141.1	171.4	0	0	0	0	0	110.2	E615 N638	A613-E615 PolarHBondContact O-N 3.37Å; A613-N638 WeakPolarHBondContact CB-OD1 3.42Å; A613-N638 PolarHBondContact N-OD1 2.88Å
614	F	87.3	Confident	93.2	Very high	62 Å²	62	37.7 Å²	37.7	27%	0.272	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-0.8	-179.4	-45.7	-77.5	0	0	0	116	H80 A635 V636	H80-F614 AromaticContact CD2-CZ 3.9Å; F614-A635 WeakPolarHBondContact CA-O 3.38Å; F614-A635 PolarHBondContact N-O 2.91Å; F614-V636 HydrophobicContact CE1-CB 3.87Å; F614-V636 HydrophobicContact CE1-CG1 3.81Å; F614-V636 HydrophobicContact CZ-CB 4.09Å; F614-V636 HydrophobicContact CZ-CG1 4.49Å
615	E	90.2	Very high	92.8	Very high	148 Å²	148	40.8 Å²	40.8	69%	0.692	21%	0.207	S	C	*	.	S	Bend	trans	-107.5	0.9	177.7	-61.7	-171.8	-170.1	0	0	113.7	P612 A613	P612-E615 HydrophobicContact CB-CB 4.1Å; P612-E615 HydrophobicContact CB-CG 4.1Å; P612-E615 PolarHBondContact O-N 3.37Å; A613-E615 PolarHBondContact O-N 3.37Å
616	H	91.4	Very high	92.3	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	20%	0.198	C	C	.	.	S	Bend	trans	-140	164.2	174.6	69.9	-76	0	0	0	111.6	L611 P612 Y618 K634 A635 H637 T639 Y667	L611-H616 HydrophobicContact CB-CB 4.3Å; L611-H616 PolarHBondContact O-CE1 3.09Å; L611-H616 VanDerWaalsContact O-CE1 3.27Å; P612-H616 PolarHBondContact O-CE1 3.34Å; P612-H616 PolarHBondContact O-ND1 3.4Å; H616-Y618 AromaticContact CD2-CE2 3.81Å; H616-Y618 AromaticContact NE2-CE2 3.67Å; H616-K634 WeakPolarHBondContact O-CA 3.43Å; H616-A635 WeakPolarHBondContact CE1-CB 3.35Å; H616-A635 WeakPolarHBondContact NE2-CB 3.3Å; H616-A635 PolarHBondContact O-N 2.84Å; H616-H637 PolarHBondContact CE1-O 3.36Å; H616-H637 VanDerWaalsContact CE1-O 3.29Å; H616-T639 WeakPolarHBondContact NE2-CB 3.28Å; H616-T639 PolarHBondContact NE2-OG1 3.21Å; H616-Y667 HydrophobicContact CB-CD1 3.61Å; H616-Y667 HydrophobicContact CB-CE1 3.96Å; H616-Y667 HydrophobicContact CB-CG 4.31Å
617	E	91.1	Very high	91.7	Very high	31 Å²	31	41.4 Å²	41.4	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155.9	-174.2	-66.2	178.8	172.4	0	0	112	P494 H632 Y633 K634 S670	P494-E617 WeakPolarHBondContact CD-O 3.11Å; P494-E617 HydrophobicContact CG-CB 4.48Å; P494-E617 VanDerWaalsContact CG-O 3.23Å; P494-E617 WeakPolarHBondContact CG-O 3.47Å; E617-H632 IonicContact OE2-ND1 2.62Å; E617-Y633 CarbonylContact C-O 3.45Å; E617-Y633 VanDerWaalsContact CA-O 3.25Å; E617-Y633 WeakPolarHBondContact CA-O 3.37Å; E617-K634 HydrophobicContact CG-CG 4.08Å; E617-S670 WeakPolarHBondContact OE2-CB 3.24Å; E617-S670 PolarHBondContact OE2-OG 2.88Å
618	Y	93	Very high	91.2	Very high	15 Å²	15	44 Å²	44	6%	0.059	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160.6	164	-78.4	-95.1	0	0	0	109.5	S492 L493 H616 H632 Y633 A635 T639	S492-Y618 CarbonylContact O-C 3.54Å; S492-Y618 WeakPolarHBondContact O-CA 3.25Å; S492-Y618 WeakPolarHBondContact O-CD1 3.19Å; L493-Y618 HydrophobicContact CD2-CD1 4.22Å; L493-Y618 HydrophobicContact CD2-CE1 3.63Å; H616-Y618 AromaticContact CD2-CE2 3.81Å; H616-Y618 AromaticContact NE2-CE2 3.67Å; Y618-H632 WeakPolarHBondContact O-CA 3.13Å; Y618-Y633 PolarHBondContact N-O 3.41Å; Y618-Y633 PolarHBondContact O-N 3.47Å; Y618-A635 HydrophobicContact CD2-CB 3.94Å; Y618-A635 HydrophobicContact CE2-CB 4.01Å; Y618-T639 VanDerWaalsContact OH-CG2 3.23Å; Y618-T639 WeakPolarHBondContact OH-CG2 3.24Å; Y618-T639 PolarHBondContact OH-OG1 3.21Å
619	R	92.8	Very high	90.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.8	164.7	-73.1	-175.6	-68.5	147.1	-13	111.1	Y175 G491 S492 L493 M631	Y175-R619 PolarHBondContact O-NH1 2.86Å; G491-R619 CarbonylContact C-O 3.44Å; G491-R619 WeakPolarHBondContact CA-O 3.5Å; S492-R619 PolarHBondContact N-O 3.43Å; S492-R619 PolarHBondContact O-N 2.84Å; L493-R619 VanDerWaalsContact O-CZ 3.29Å; L493-R619 PolarHBondContact O-NE 3.06Å; L493-R619 PolarHBondContact O-NH2 3.36Å; R619-M631 CarbonylContact C-O 3.6Å; R619-M631 WeakPolarHBondContact CA-O 3.19Å; R619-M631 HydrophobicContact CG-CG 4.42Å
620	S	89.9	Confident	90.3	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.07	25%	0.25	C	C	.	.			trans	-58.1	136.1	-179.1	178	0	0	0	0	112.5	S622 Q623 E630 M631	S620-S622 PolarHBondContact O-N 3.4Å; S620-S622 PolarHBondContact OG-N 3.07Å; S620-S622 VanDerWaalsContact OG-N 3.14Å; S620-S622 PolarHBondContact OG-OG 2.84Å; S620-Q623 WeakPolarHBondContact O-CB 3.37Å; S620-Q623 WeakPolarHBondContact O-CG 3.4Å; S620-Q623 PolarHBondContact O-N 3.16Å; S620-Q623 VanDerWaalsContact O-N 3.09Å; S620-E630 WeakPolarHBondContact CB-O 3.44Å; S620-M631 PolarHBondContact N-O 3.34Å
621	G	86.4	Confident	89.9	Confident	17 Å²	17	47.1 Å²	47.1	18%	0.175	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.4	170.7	0	0	0	0	0	113.5
622	S	89.6	Confident	89.7	Confident	36 Å²	36	49.7 Å²	49.7	25%	0.252	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	18.6	175.8	62.9	0	0	0	0	114	S620 H624 I625 C626	S620-S622 PolarHBondContact O-N 3.4Å; S620-S622 PolarHBondContact OG-N 3.07Å; S620-S622 VanDerWaalsContact OG-N 3.14Å; S620-S622 PolarHBondContact OG-OG 2.84Å; S622-H624 PolarHBondContact O-N 3.16Å; S622-I625 PolarHBondContact O-N 3.25Å; S622-C626 PolarHBondContact O-N 2.98Å
623	Q	91.5	Very high	89.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.3	-176.9	60.7	174.4	28.1	0	0	115.9	Y443 L516 S620 I625 C626 M631	Y443-Q623 HydrophobicContact CE1-CG 4Å; Y443-Q623 WeakPolarHBondContact CE2-O 3.38Å; Y443-Q623 WeakPolarHBondContact OH-CB 3.26Å; Y443-Q623 VanDerWaalsContact OH-CG 3.27Å; Y443-Q623 WeakPolarHBondContact OH-CG 3.23Å; Y443-Q623 PolarHBondContact OH-NE2 2.99Å; L516-Q623 PolarHBondContact O-NE2 3.05Å; S620-Q623 WeakPolarHBondContact O-CB 3.37Å; S620-Q623 WeakPolarHBondContact O-CG 3.4Å; S620-Q623 PolarHBondContact O-N 3.16Å; S620-Q623 VanDerWaalsContact O-N 3.09Å; Q623-I625 VanDerWaalsContact C-N 3.25Å; Q623-I625 PolarHBondContact O-N 2.88Å; Q623-C626 VanDerWaalsContact CA-SG 3.6Å; Q623-M631 HydrophobicContact CB-CE 3.96Å; Q623-M631 HydrophobicContact CB-SD 3.45Å; Q623-M631 WeakPolarHBondContact CB-SD 3.32Å
624	H	92.8	Very high	89.5	Confident	24 Å²	24	51.8 Å²	51.8	11%	0.111	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.8	177.1	61.2	-76.6	0	0	0	113.8	V439 S440 Y443 L516 S622	V439-H624 HydrophobicContact CG2-CB 4.43Å; S440-H624 WeakPolarHBondContact CB-O 3.08Å; S440-H624 PolarHBondContact N-O 2.99Å; S440-H624 PolarHBondContact OG-O 2.85Å; Y443-H624 HydrophobicContact CD1-CB 3.87Å; Y443-H624 HydrophobicContact CE1-CB 4.42Å; Y443-H624 HydrophobicContact CG-CB 3.98Å; L516-H624 HydrophobicContact CB-CB 4.13Å; L516-H624 HydrophobicContact CD2-CB 4.18Å; S622-H624 PolarHBondContact O-N 3.16Å
625	I	90.7	Very high	89.5	Confident	81 Å²	81	49.2 Å²	49.2	42%	0.415	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-28.2	179.9	-63.3	162.3	0	0	0	112.2	K438 S622 Q623	K438-I625 VanDerWaalsContact O-CD1 3.25Å; K438-I625 WeakPolarHBondContact O-CD1 3.25Å; K438-I625 WeakPolarHBondContact O-CG1 3.38Å; S622-I625 PolarHBondContact O-N 3.25Å; Q623-I625 VanDerWaalsContact C-N 3.25Å; Q623-I625 PolarHBondContact O-N 2.88Å
626	C	87.4	Confident	89.2	Confident	19 Å²	19	44.7 Å²	44.7	13%	0.128	22%	0.219	C	C	.	.	S	Bend	trans	-64	157.8	-175.4	82.4	0	0	0	0	112.3	S622 Q623 E630	S622-C626 PolarHBondContact O-N 2.98Å; Q623-C626 VanDerWaalsContact CA-SG 3.6Å; C626-E630 HydrophobicContact CB-CB 4.03Å
627	K	87.6	Confident	88.9	Confident	138 Å²	138	48.9 Å²	48.9	60%	0.6	24%	0.239	S	C	*	.			trans	-76.6	164.5	177.3	-58.9	179.8	-179.2	173.4	0	110.6	E629 E630 M631	K627-E629 WeakPolarHBondContact CB-OE2 3.16Å; K627-E629 PolarHBondContact O-N 3.38Å; K627-E630 PolarHBondContact N-OE2 3.43Å; K627-E630 CarbonylContact O-C 3.45Å; K627-E630 PolarHBondContact O-N 2.7Å; K627-M631 PolarHBondContact O-N 3.14Å
628	K	86.6	Confident	88.9	Confident	120 Å²	120	50.1 Å²	50.1	52%	0.522	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.3	-37.5	179.1	-175.3	178.5	-178.3	168.7	0	112.4	E173 E630 M631	E173-K628 WeakPolarHBondContact OE1-CD 3.46Å; E173-K628 VanDerWaalsContact OE1-CE 3.28Å; E173-K628 WeakPolarHBondContact OE1-CE 3.4Å; E173-K628 IonicContact OE1-NZ 3.27Å; E173-K628 PolarHBondContact OE1-NZ 3.11Å; K628-E630 PolarHBondContact O-N 3.32Å; K628-M631 WeakPolarHBondContact O-CB 3.3Å; K628-M631 PolarHBondContact O-N 2.64Å
629	E	87.6	Confident	88.9	Confident	138 Å²	138	49.6 Å²	49.6	65%	0.645	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-70.7	-14.9	-179.1	-51.6	73.6	-148.7	0	0	112.8	K627	K627-E629 WeakPolarHBondContact CB-OE2 3.16Å; K627-E629 PolarHBondContact O-N 3.38Å
630	E	88	Confident	89.1	Confident	57 Å²	57	49.6 Å²	49.6	27%	0.266	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-107	4.1	178.8	-60.3	165.8	171.7	0	0	111.5	S620 C626 K627 K628	S620-E630 WeakPolarHBondContact CB-O 3.44Å; C626-E630 HydrophobicContact CB-CB 4.03Å; K627-E630 PolarHBondContact N-OE2 3.43Å; K627-E630 CarbonylContact O-C 3.45Å; K627-E630 PolarHBondContact O-N 2.7Å; K628-E630 PolarHBondContact O-N 3.32Å
631	M	89	Confident	89.5	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.02	24%	0.241	C	C	.	.	S	Bend	trans	-71.3	-39.9	-173.7	-176.3	64.1	59.7	0	0	111.7	Y175 R619 S620 Q623 K627 K628	Y175-M631 HydrophobicContact CD1-SD 4.49Å; Y175-M631 HydrophobicContact CD2-CE 4.32Å; Y175-M631 HydrophobicContact CE1-CE 4.38Å; Y175-M631 HydrophobicContact CE1-CG 3.81Å; Y175-M631 HydrophobicContact CE1-SD 4.18Å; Y175-M631 HydrophobicContact CE2-CE 3.66Å; Y175-M631 HydrophobicContact CE2-SD 4.33Å; R619-M631 CarbonylContact C-O 3.6Å; R619-M631 WeakPolarHBondContact CA-O 3.19Å; R619-M631 HydrophobicContact CG-CG 4.42Å; S620-M631 PolarHBondContact N-O 3.34Å; Q623-M631 HydrophobicContact CB-CE 3.96Å; Q623-M631 HydrophobicContact CB-SD 3.45Å; Q623-M631 WeakPolarHBondContact CB-SD 3.32Å; K627-M631 PolarHBondContact O-N 3.14Å; K628-M631 WeakPolarHBondContact O-CB 3.3Å; K628-M631 PolarHBondContact O-N 2.64Å
632	H	90	Very high	90.1	Very high	64 Å²	64	48.3 Å²	48.3	30%	0.296	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.7	-175.8	-66.9	-100.9	0	0	0	110.9	E617 Y618	E617-H632 IonicContact OE2-ND1 2.62Å; Y618-H632 WeakPolarHBondContact O-CA 3.13Å
633	Y	87.5	Confident	90.5	Very high	51 Å²	51	46.6 Å²	46.6	20%	0.2	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	146.9	172	67.3	-86.4	0	0	0	110.7	G491 E617 Y618	G491-Y633 WeakPolarHBondContact CA-OH 3.42Å; E617-Y633 CarbonylContact C-O 3.45Å; E617-Y633 VanDerWaalsContact CA-O 3.25Å; E617-Y633 WeakPolarHBondContact CA-O 3.37Å; Y618-Y633 PolarHBondContact N-O 3.41Å; Y618-Y633 PolarHBondContact O-N 3.47Å
634	K	88.4	Confident	90.9	Very high	69 Å²	69	46.6 Å²	46.6	30%	0.3	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.4	175.1	-72.4	-173.5	172.3	-166.5	0	110.5	H616 E617 V636	H616-K634 WeakPolarHBondContact O-CA 3.43Å; E617-K634 HydrophobicContact CG-CG 4.08Å; K634-V636 PolarHBondContact O-N 2.89Å
635	A	87.2	Confident	91.2	Very high	7 Å²	7	45.4 Å²	45.4	6%	0.058	22%	0.216	C	C	.	.			trans	-65.1	130.2	172.8	0	0	0	0	0	109.7	F614 H616 Y618	F614-A635 WeakPolarHBondContact CA-O 3.38Å; F614-A635 PolarHBondContact N-O 2.91Å; H616-A635 WeakPolarHBondContact CE1-CB 3.35Å; H616-A635 WeakPolarHBondContact NE2-CB 3.3Å; H616-A635 PolarHBondContact O-N 2.84Å; Y618-A635 HydrophobicContact CD2-CB 3.94Å; Y618-A635 HydrophobicContact CE2-CB 4.01Å
636	V	84.8	Confident	91.6	Very high	53 Å²	53	41.8 Å²	41.8	32%	0.321	20%	0.197	S	C	.	.	S	Bend	trans	-91	-5.7	-179.5	-57.2	0	0	0	0	113.3	F614 K634	F614-V636 HydrophobicContact CE1-CB 3.87Å; F614-V636 HydrophobicContact CE1-CG1 3.81Å; F614-V636 HydrophobicContact CZ-CB 4.09Å; F614-V636 HydrophobicContact CZ-CG1 4.49Å; K634-V636 PolarHBondContact O-N 2.89Å
637	H	84.6	Confident	92.1	Very high	92 Å²	92	46.2 Å²	46.2	43%	0.426	22%	0.219	S	C	.	.	S	Bend	trans	-124	158.7	175.1	-56.3	103.3	0	0	0	109.1	H616	H616-H637 PolarHBondContact CE1-O 3.36Å; H616-H637 VanDerWaalsContact CE1-O 3.29Å
638	N	91.3	Very high	92.6	Very high	57 Å²	57	41.7 Å²	41.7	31%	0.305	20%	0.204	S	C	.	.			trans	-61.1	146.3	166.8	-69.9	-1.5	0	0	0	109.5	P586 E587 I610 L611 A613	P586-N638 WeakPolarHBondContact CA-O 3.46Å; E587-N638 HydrophobicContact CB-CB 3.71Å; E587-N638 PolarHBondContact N-O 2.72Å; E587-N638 WeakPolarHBondContact OE2-CB 3.44Å; E587-N638 PolarHBondContact OE2-ND2 2.93Å; I610-N638 HydrophobicContact CG2-CB 3.99Å; L611-N638 CarbonylContact O-C 3.48Å; L611-N638 VanDerWaalsContact O-CA 3.25Å; L611-N638 WeakPolarHBondContact O-CA 3.32Å; A613-N638 WeakPolarHBondContact CB-OD1 3.42Å; A613-N638 PolarHBondContact N-OD1 2.88Å
639	T	94.1	Very high	93.2	Very high	4 Å²	4	36 Å²	36	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.7	168.1	-63.2	0	0	0	0	108.6	F584 I585 L611 H616 Y618 V641	F584-T639 HydrophobicContact CB-CG2 4.13Å; F584-T639 HydrophobicContact CD1-CG2 4.1Å; I585-T639 CarbonylContact O-C 3.35Å; I585-T639 WeakPolarHBondContact O-CA 3.37Å; L611-T639 HydrophobicContact CD1-CG2 4.38Å; L611-T639 PolarHBondContact N-O 3.15Å; L611-T639 PolarHBondContact O-N 3.47Å; H616-T639 WeakPolarHBondContact NE2-CB 3.28Å; H616-T639 PolarHBondContact NE2-OG1 3.21Å; Y618-T639 VanDerWaalsContact OH-CG2 3.23Å; Y618-T639 WeakPolarHBondContact OH-CG2 3.24Å; Y618-T639 PolarHBondContact OH-OG1 3.21Å; T639-V641 HydrophobicContact CG2-CG2 4.33Å
640	A	96.2	Very high	93.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.6	168	0	0	0	0	0	109.8	I585 E587 L596 I610 L642	I585-A640 HydrophobicContact CG1-CB 4.36Å; I585-A640 PolarHBondContact N-O 2.73Å; I585-A640 PolarHBondContact O-N 2.87Å; E587-A640 HydrophobicContact CB-CB 4.35Å; E587-A640 HydrophobicContact CG-CB 4.46Å; L596-A640 HydrophobicContact CD1-CB 4.06Å; I610-A640 HydrophobicContact CD1-CB 3.79Å; A640-L642 HydrophobicContact CB-CD1 3.96Å
641	V	98.4	Very high	94.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.2	176.2	-172.7	0	0	0	0	108.4	I582 V583 F584 Q608 L609 L611 T639 F643	I582-V641 HydrophobicContact CG2-CG1 3.73Å; V583-V641 CarbonylContact O-C 3.43Å; V583-V641 VanDerWaalsContact O-CA 3.25Å; V583-V641 WeakPolarHBondContact O-CA 3.16Å; F584-V641 HydrophobicContact CD1-CB 4.45Å; F584-V641 HydrophobicContact CD1-CG1 4.26Å; F584-V641 HydrophobicContact CD1-CG2 3.55Å; F584-V641 HydrophobicContact CE1-CB 4.31Å; F584-V641 HydrophobicContact CE1-CG1 3.83Å; F584-V641 HydrophobicContact CE1-CG2 3.49Å; F584-V641 VanDerWaalsContact CE1-CG2 3.49Å; F584-V641 HydrophobicContact CE2-CG1 4.15Å; F584-V641 HydrophobicContact CG-CG2 4.39Å; F584-V641 HydrophobicContact CZ-CG1 3.76Å; F584-V641 HydrophobicContact CZ-CG2 4.3Å; Q608-V641 WeakPolarHBondContact CA-O 3.26Å; L609-V641 HydrophobicContact CB-CB 4.22Å; L609-V641 HydrophobicContact CD2-CB 4.44Å; L609-V641 HydrophobicContact CD2-CG2 4.39Å; L609-V641 PolarHBondContact N-O 2.89Å; L609-V641 PolarHBondContact O-N 3.35Å; L611-V641 HydrophobicContact CD1-CG2 3.78Å; L611-V641 HydrophobicContact CG-CG2 3.93Å; T639-V641 HydrophobicContact CG2-CG2 4.33Å; V641-F643 HydrophobicContact CG1-CE2 4.02Å
642	L	98.7	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.7	-174.6	-56	101.1	0	0	0	110.8	I582 V583 I585 L596 M599 E600 K605 Q608 A640	I582-L642 WeakPolarHBondContact CA-O 3.46Å; V583-L642 PolarHBondContact N-O 3.08Å; V583-L642 PolarHBondContact O-N 2.92Å; I585-L642 HydrophobicContact CD1-CD1 4.14Å; I585-L642 HydrophobicContact CG1-CD1 3.88Å; L596-L642 HydrophobicContact CD1-CD1 4.38Å; M599-L642 HydrophobicContact CB-CD2 3.8Å; M599-L642 HydrophobicContact CE-CD1 4.43Å; E600-L642 HydrophobicContact CG-CD2 4.12Å; K605-L642 HydrophobicContact CD-CD2 4.42Å; Q608-L642 HydrophobicContact CG-CD2 4.36Å; Q608-L642 HydrophobicContact CG-CG 4.34Å; A640-L642 HydrophobicContact CB-CD1 3.96Å
643	F	98.8	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	102.7	178.2	-68.6	-106	0	0	0	109.3	F505 I582 K605 R606 H607 V641 P655 L660 L663	F505-F643 HydrophobicContact CD1-CE1 4.04Å; F505-F643 HydrophobicContact CD2-CE1 4.23Å; F505-F643 AromaticContact CE1-CE1 3.8Å; F505-F643 HydrophobicContact CE1-CE1 3.8Å; F505-F643 AromaticContact CE2-CE1 3.99Å; F505-F643 HydrophobicContact CE2-CE1 3.99Å; F505-F643 HydrophobicContact CE2-CZ 4.2Å; F505-F643 HydrophobicContact CG-CE1 4.25Å; F505-F643 AromaticContact CZ-CE1 3.75Å; F505-F643 HydrophobicContact CZ-CE1 3.75Å; F505-F643 HydrophobicContact CZ-CZ 4.04Å; I582-F643 HydrophobicContact CD1-CD1 3.92Å; I582-F643 HydrophobicContact CD1-CE1 3.55Å; I582-F643 HydrophobicContact CD1-CZ 4.4Å; I582-F643 HydrophobicContact CG1-CD1 3.78Å; I582-F643 HydrophobicContact CG1-CE1 3.89Å; I582-F643 HydrophobicContact CG2-CD1 4.42Å; I582-F643 HydrophobicContact CG2-CE1 4.16Å; I582-F643 HydrophobicContact CG2-CE2 4.46Å; I582-F643 HydrophobicContact CG2-CZ 4.17Å; K605-F643 WeakPolarHBondContact CA-O 3.41Å; R606-F643 PolarHBondContact N-O 3.49Å; H607-F643 HydrophobicContact CB-CB 4.31Å; H607-F643 HydrophobicContact CB-CD2 3.98Å; H607-F643 HydrophobicContact CB-CG 4.33Å; H607-F643 PolarHBondContact O-N 2.98Å; V641-F643 HydrophobicContact CG1-CE2 4.02Å; F643-P655 HydrophobicContact CB-CG 4.41Å; F643-P655 HydrophobicContact CD1-CB 3.94Å; F643-P655 HydrophobicContact CD1-CG 4.38Å; F643-P655 HydrophobicContact CE1-CB 4.13Å; F643-P655 HydrophobicContact CG-CB 4.17Å; F643-P655 HydrophobicContact CG-CG 4.38Å; F643-L660 HydrophobicContact CE2-CD2 3.78Å; F643-L660 HydrophobicContact CZ-CD2 3.78Å; F643-L663 HydrophobicContact CZ-CD2 3.98Å
644	L	98.9	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110.5	177.8	-54.5	-178	0	0	0	109.5	L572 F581 V583 M599 F604 K605	L572-L644 HydrophobicContact CD1-CB 3.95Å; F581-L644 HydrophobicContact CB-CB 4.46Å; F581-L644 PolarHBondContact N-O 3Å; F581-L644 PolarHBondContact O-N 3.01Å; V583-L644 HydrophobicContact CG2-CD1 4.2Å; M599-L644 HydrophobicContact CG-CD1 4.09Å; M599-L644 HydrophobicContact SD-CD1 4.18Å; F604-L644 WeakPolarHBondContact O-CA 3.22Å; K605-L644 HydrophobicContact CB-CD2 4.05Å; K605-L644 HydrophobicContact CG-CD2 4.49Å
645	Q	98.9	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.3	-173.4	-50.9	179	-45.9	0	0	111.3	L579 S580 F604 R606 F650 W653	L579-Q645 WeakPolarHBondContact O-CA 3.43Å; S580-Q645 WeakPolarHBondContact OG-CG 3.48Å; S580-Q645 PolarHBondContact OG-NE2 2.94Å; F604-Q645 PolarHBondContact O-N 3.25Å; R606-Q645 HydrophobicContact CG-CB 3.86Å; R606-Q645 HydrophobicContact CG-CG 4.22Å; R606-Q645 PolarHBondContact NE-O 3.42Å; R606-Q645 PolarHBondContact NH2-O 2.75Å; Q645-F650 HydrophobicContact CB-CB 4.15Å; Q645-W653 PolarHBondContact NE2-O 2.85Å
646	N	98.8	Very high	96.7	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	19%	0.194	C	C	.	.			trans	-72.1	167.8	166.4	67.8	-2.8	0	0	0	109.2	L572 S575 E577 L579 F604 P648 G649 F650	L572-N646 HydrophobicContact CB-CB 4.42Å; L572-N646 HydrophobicContact CD2-CB 4.1Å; S575-N646 PolarHBondContact O-ND2 3.44Å; E577-N646 PolarHBondContact O-ND2 3.43Å; L579-N646 PolarHBondContact N-OD1 3.08Å; L579-N646 PolarHBondContact O-N 2.85Å; L579-N646 PolarHBondContact O-OD1 2.92Å; L579-N646 VanDerWaalsContact O-OD1 3.1Å; F604-N646 HydrophobicContact CD1-CB 4.44Å; F604-N646 HydrophobicContact CE1-CB 4.36Å; N646-P648 WeakPolarHBondContact OD1-CG 3.46Å; N646-G649 PolarHBondContact O-N 3.13Å; N646-G649 VanDerWaalsContact O-N 3.1Å; N646-G649 WeakPolarHBondContact OD1-CA 3.39Å; N646-G649 PolarHBondContact OD1-N 3.37Å; N646-F650 WeakPolarHBondContact O-CB 3.26Å; N646-F650 PolarHBondContact O-N 3.29Å
647	D	98.8	Very high	97.3	Very high	112 Å²	112	37.1 Å²	37.1	60%	0.599	21%	0.208	S	C	*	.	H	α-helix	trans	-54.3	-46.1	-176	-63.7	-22.5	0	0	0	114.2	R606 G649 F650 A651	R606-D647 IonicContact CZ-OD1 3.61Å; R606-D647 IonicContact NH1-OD1 2.7Å; R606-D647 IonicContact NH2-OD1 3.51Å; R606-D647 PolarHBondContact NH2-OD1 2.93Å; D647-G649 PolarHBondContact O-N 2.83Å; D647-F650 PolarHBondContact O-N 3.01Å; D647-A651 WeakPolarHBondContact O-CB 3.5Å; D647-A651 PolarHBondContact O-N 3Å
648	P	98.8	Very high	97.9	Very high	43 Å²	43	38.2 Å²	38.2	28%	0.279	21%	0.213	S	C	.	.	H	α-helix	trans	-68.2	-33.3	176.2	27	-36	0	0	0	112.9	P576 E577 P578 N646 A651 K652	P576-P648 WeakPolarHBondContact O-CG 3.36Å; E577-P648 WeakPolarHBondContact O-CG 3.34Å; P578-P648 HydrophobicContact CB-CB 4.36Å; P578-P648 HydrophobicContact CG-CB 4.1Å; N646-P648 WeakPolarHBondContact OD1-CG 3.46Å; P648-A651 PolarHBondContact O-N 3Å; P648-K652 PolarHBondContact O-N 3.16Å
649	G	98.8	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-44.1	173.7	0	0	0	0	0	111.8	N646 D647 K652 W653	N646-G649 PolarHBondContact O-N 3.13Å; N646-G649 VanDerWaalsContact O-N 3.1Å; N646-G649 WeakPolarHBondContact OD1-CA 3.39Å; N646-G649 PolarHBondContact OD1-N 3.37Å; D647-G649 PolarHBondContact O-N 2.83Å; G649-K652 PolarHBondContact O-N 2.83Å; G649-W653 PolarHBondContact O-N 2.89Å
650	F	98.8	Very high	98.5	Very high	77 Å²	77	39.4 Å²	39.4	34%	0.338	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-44	175.1	179.5	-112.5	0	0	0	111.4	R606 Q645 N646 D647 K652 V654 P655	R606-F650 HydrophobicContact CB-CD2 3.7Å; R606-F650 HydrophobicContact CB-CE2 3.84Å; R606-F650 HydrophobicContact CG-CB 4.27Å; R606-F650 HydrophobicContact CG-CD2 3.49Å; R606-F650 VanDerWaalsContact CG-CD2 3.49Å; R606-F650 HydrophobicContact CG-CE2 4.08Å; R606-F650 HydrophobicContact CG-CG 4.1Å; Q645-F650 HydrophobicContact CB-CB 4.15Å; N646-F650 WeakPolarHBondContact O-CB 3.26Å; N646-F650 PolarHBondContact O-N 3.29Å; D647-F650 PolarHBondContact O-N 3.01Å; F650-K652 PolarHBondContact O-N 3.12Å; F650-V654 HydrophobicContact CD2-CB 4.39Å; F650-V654 HydrophobicContact CD2-CG2 4.33Å; F650-V654 HydrophobicContact CE2-CB 4.3Å; F650-V654 HydrophobicContact CE2-CG2 3.75Å; F650-V654 HydrophobicContact CZ-CG2 3.97Å; F650-V654 WeakPolarHBondContact O-CA 3.45Å; F650-V654 WeakPolarHBondContact O-CB 3.34Å; F650-V654 PolarHBondContact O-N 3.16Å; F650-P655 HydrophobicContact CE2-CG 4.4Å
651	A	98.6	Very high	98.5	Very high	80 Å²	80	46.3 Å²	46.3	66%	0.661	25%	0.246	S	C	*	.	H	α-helix	trans	-58.8	-35.1	176.7	0	0	0	0	0	112.8	D647 P648	D647-A651 WeakPolarHBondContact O-CB 3.5Å; D647-A651 PolarHBondContact O-N 3Å; P648-A651 PolarHBondContact O-N 3Å
652	K	98.8	Very high	98.4	Very high	113 Å²	113	50.5 Å²	50.5	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-86.1	-43.8	-177.8	-169.7	173.2	179.5	177.5	0	113.4	P578 P648 G649 F650	P578-K652 HydrophobicContact CB-CB 4.48Å; P578-K652 HydrophobicContact CB-CD 3.97Å; P578-K652 HydrophobicContact CG-CD 4.22Å; P648-K652 PolarHBondContact O-N 3.16Å; G649-K652 PolarHBondContact O-N 2.83Å; F650-K652 PolarHBondContact O-N 3.12Å
653	W	98.7	Very high	98.3	Very high	15 Å²	15	50.5 Å²	50.5	6%	0.057	27%	0.265	C	S	.	.	H	α-helix	trans	-122.7	38.9	-171.2	-56.3	-61.4	0	0	0	112.2	F505 G548 P578 Q645 G649	F505-W653 VanDerWaalsContact O-CG 3.27Å; F505-W653 PolarHBondContact O-NE1 3.46Å; G548-W653 WeakPolarHBondContact O-CZ3 3.31Å; P578-W653 HydrophobicContact CB-CH2 4.08Å; P578-W653 HydrophobicContact CB-CZ3 3.8Å; Q645-W653 PolarHBondContact NE2-O 2.85Å; G649-W653 PolarHBondContact O-N 2.89Å
654	V	98.4	Very high	98.1	Very high	40 Å²	40	52 Å²	52	24%	0.242	28%	0.276	C	S	.	.			trans	-49.1	130.6	178.1	49.2	0	0	0	0	111.6	F650 T656 R659	F650-V654 HydrophobicContact CD2-CB 4.39Å; F650-V654 HydrophobicContact CD2-CG2 4.33Å; F650-V654 HydrophobicContact CE2-CB 4.3Å; F650-V654 HydrophobicContact CE2-CG2 3.75Å; F650-V654 HydrophobicContact CZ-CG2 3.97Å; F650-V654 WeakPolarHBondContact O-CA 3.45Å; F650-V654 WeakPolarHBondContact O-CB 3.34Å; F650-V654 PolarHBondContact O-N 3.16Å; V654-T656 HydrophobicContact CB-CG2 4.23Å; V654-T656 HydrophobicContact CG1-CG2 3.59Å; V654-T656 HydrophobicContact CG2-CG2 3.75Å; V654-T656 PolarHBondContact O-N 3.09Å; V654-R659 VanDerWaalsContact O-CD 3.24Å; V654-R659 WeakPolarHBondContact O-CD 3.31Å; V654-R659 PolarHBondContact O-NH1 3Å
655	P	98.4	Very high	97.9	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.084	29%	0.29	C	S	.	.			trans	-75	72.1	169	31.9	-35.2	0	0	0	110.9	F505 R606 H607 F643 F650 L660	F505-P655 HydrophobicContact CE1-CB 4.39Å; R606-P655 HydrophobicContact CB-CG 4.07Å; H607-P655 HydrophobicContact CB-CB 3.9Å; H607-P655 HydrophobicContact CB-CG 3.68Å; F643-P655 HydrophobicContact CB-CG 4.41Å; F643-P655 HydrophobicContact CD1-CB 3.94Å; F643-P655 HydrophobicContact CD1-CG 4.38Å; F643-P655 HydrophobicContact CE1-CB 4.13Å; F643-P655 HydrophobicContact CG-CB 4.17Å; F643-P655 HydrophobicContact CG-CG 4.38Å; F650-P655 HydrophobicContact CE2-CG 4.4Å; P655-L660 HydrophobicContact CB-CD1 4.21Å; P655-L660 HydrophobicContact CB-CD2 4.01Å; P655-L660 HydrophobicContact CB-CG 4.15Å; P655-L660 WeakPolarHBondContact O-CD1 3.34Å
656	T	98.4	Very high	97.6	Very high	35 Å²	35	53.9 Å²	53.9	22%	0.215	29%	0.291	C	S	.	.			trans	-68.1	156	174.9	73.7	0	0	0	0	110.8	V654 E658 R659 L660	V654-T656 HydrophobicContact CB-CG2 4.23Å; V654-T656 HydrophobicContact CG1-CG2 3.59Å; V654-T656 HydrophobicContact CG2-CG2 3.75Å; V654-T656 PolarHBondContact O-N 3.09Å; T656-E658 WeakPolarHBondContact CB-OE2 3.29Å; T656-E658 PolarHBondContact O-N 2.9Å; T656-E658 PolarHBondContact OG1-OE2 3.03Å; T656-R659 PolarHBondContact O-N 2.67Å; T656-R659 VanDerWaalsContact O-N 3.17Å; T656-R659 PolarHBondContact OG1-N 3.45Å; T656-L660 WeakPolarHBondContact O-CG 3.37Å; T656-L660 PolarHBondContact O-N 3.49Å
657	P	98.1	Very high	97.1	Very high	94 Å²	94	54.3 Å²	54.3	61%	0.61	29%	0.293	S	S	*	.	H	α-helix	trans	-51.5	-38.9	176.7	-28.4	36.8	0	0	0	113.6	L660 Q661	P657-L660 PolarHBondContact O-N 3.15Å; P657-Q661 WeakPolarHBondContact O-CB 3.48Å; P657-Q661 PolarHBondContact O-N 2.73Å
658	E	98.1	Very high	96.2	Very high	115 Å²	115	58.6 Å²	58.6	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-67.1	-46.5	-179.2	-53.1	72.3	-152	0	0	111.2	T656 L660 Q661 E662	T656-E658 WeakPolarHBondContact CB-OE2 3.29Å; T656-E658 PolarHBondContact O-N 2.9Å; T656-E658 PolarHBondContact OG1-OE2 3.03Å; E658-L660 VanDerWaalsContact C-N 3.34Å; E658-L660 PolarHBondContact O-N 3.31Å; E658-Q661 PolarHBondContact O-N 2.86Å; E658-E662 PolarHBondContact O-N 3.22Å
659	R	98.4	Very high	94.4	Very high	70 Å²	70	62.4 Å²	62.4	26%	0.264	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-39.8	177	-71.7	175.5	166.9	173.5	-4.6	111.7	L504 F505 V654 T656 E662 L663	L504-R659 HydrophobicContact CB-CB 4.45Å; L504-R659 HydrophobicContact CB-CG 4.37Å; L504-R659 WeakPolarHBondContact CD1-O 3.41Å; L504-R659 HydrophobicContact CD2-CG 4.33Å; L504-R659 PolarHBondContact O-NE 2.89Å; F505-R659 HydrophobicContact CE1-CB 3.79Å; F505-R659 HydrophobicContact CE1-CG 4.44Å; F505-R659 HydrophobicContact CZ-CB 3.65Å; V654-R659 VanDerWaalsContact O-CD 3.24Å; V654-R659 WeakPolarHBondContact O-CD 3.31Å; V654-R659 PolarHBondContact O-NH1 3Å; T656-R659 PolarHBondContact O-N 2.67Å; T656-R659 VanDerWaalsContact O-N 3.17Å; T656-R659 PolarHBondContact OG1-N 3.45Å; R659-E662 PolarHBondContact O-N 3.41Å; R659-L663 PolarHBondContact O-N 3.21Å
660	L	97.9	Very high	92.2	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-38.3	177.4	-69.9	166.9	0	0	0	112.1	H607 F643 P655 T656 P657 E658 L663 S664	H607-L660 VanDerWaalsContact CD2-CD1 3.5Å; H607-L660 WeakPolarHBondContact CD2-CD1 3.39Å; H607-L660 VanDerWaalsContact CD2-CD2 3.49Å; H607-L660 WeakPolarHBondContact CD2-CD2 3.31Å; H607-L660 WeakPolarHBondContact NE2-CD1 3.49Å; F643-L660 HydrophobicContact CE2-CD2 3.78Å; F643-L660 HydrophobicContact CZ-CD2 3.78Å; P655-L660 HydrophobicContact CB-CD1 4.21Å; P655-L660 HydrophobicContact CB-CD2 4.01Å; P655-L660 HydrophobicContact CB-CG 4.15Å; P655-L660 WeakPolarHBondContact O-CD1 3.34Å; T656-L660 WeakPolarHBondContact O-CG 3.37Å; T656-L660 PolarHBondContact O-N 3.49Å; P657-L660 PolarHBondContact O-N 3.15Å; E658-L660 VanDerWaalsContact C-N 3.34Å; E658-L660 PolarHBondContact O-N 3.31Å; L660-L663 PolarHBondContact O-N 2.9Å; L660-S664 WeakPolarHBondContact O-CB 3.32Å; L660-S664 PolarHBondContact O-N 3.12Å; L660-S664 PolarHBondContact O-OG 3.02Å
661	Q	96.3	Very high	89.6	Confident	144 Å²	144	63 Å²	63	67%	0.673	34%	0.339	S	S	*	.	H	α-helix	trans	-65.3	-43.3	175.2	-174.1	177.9	7.3	0	0	111.3	P657 E658 S664 A665	P657-Q661 WeakPolarHBondContact O-CB 3.48Å; P657-Q661 PolarHBondContact O-N 2.73Å; E658-Q661 PolarHBondContact O-N 2.86Å; Q661-S664 PolarHBondContact O-N 2.87Å; Q661-A665 WeakPolarHBondContact O-CB 3.47Å; Q661-A665 PolarHBondContact O-N 3.3Å
662	E	96.9	Very high	86.7	Confident	88 Å²	88	69.7 Å²	69.7	41%	0.411	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-42	174.7	-78	-167.7	-126.8	0	0	112.7	R503 L504 E658 R659 S664 A665 A666	R503-E662 IonicContact CZ-OE2 3.61Å; R503-E662 IonicContact NE-OE2 3.66Å; R503-E662 IonicContact NH2-OE2 2.73Å; R503-E662 PolarHBondContact NH2-OE2 3.41Å; L504-E662 HydrophobicContact CD1-CB 3.65Å; L504-E662 HydrophobicContact CD2-CB 4.27Å; L504-E662 WeakPolarHBondContact CD2-OE2 3.34Å; E658-E662 PolarHBondContact O-N 3.22Å; R659-E662 PolarHBondContact O-N 3.41Å; E662-S664 PolarHBondContact O-N 3.46Å; E662-A665 WeakPolarHBondContact O-CB 3.41Å; E662-A665 PolarHBondContact O-N 3.49Å; E662-A666 PolarHBondContact O-N 3.01Å
663	L	96.6	Very high	83.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-44.9	175.2	178.8	63.4	0	0	0	111.3	V497 A500 L501 L504 F505 F643 R659 L660 A665 A666	V497-L663 HydrophobicContact CG1-CD1 4.2Å; A500-L663 HydrophobicContact CB-CD1 4.14Å; L501-L663 HydrophobicContact CD2-CD1 3.99Å; L501-L663 HydrophobicContact CD2-CD2 4.37Å; L501-L663 HydrophobicContact CG-CD1 4.21Å; L504-L663 HydrophobicContact CD1-CB 4.38Å; F505-L663 HydrophobicContact CE2-CB 4.32Å; F505-L663 HydrophobicContact CE2-CD2 4.03Å; F643-L663 HydrophobicContact CZ-CD2 3.98Å; R659-L663 PolarHBondContact O-N 3.21Å; L660-L663 PolarHBondContact O-N 2.9Å; L663-A665 VanDerWaalsContact C-N 3.3Å; L663-A665 PolarHBondContact O-N 2.97Å; L663-A666 WeakPolarHBondContact O-CB 3.45Å; L663-A666 PolarHBondContact O-N 3.35Å
664	S	94.1	Very high	80.8	Confident	32 Å²	32	76.4 Å²	76.4	22%	0.224	39%	0.391	C	S	.	.	H	α-helix	trans	-64.2	-36.5	176.3	-56.8	0	0	0	0	111.8	L660 Q661 E662 A666 Y667	L660-S664 WeakPolarHBondContact O-CB 3.32Å; L660-S664 PolarHBondContact O-N 3.12Å; L660-S664 PolarHBondContact O-OG 3.02Å; Q661-S664 PolarHBondContact O-N 2.87Å; E662-S664 PolarHBondContact O-N 3.46Å; S664-A666 VanDerWaalsContact C-N 3.31Å; S664-A666 PolarHBondContact O-N 2.82Å; S664-Y667 PolarHBondContact O-N 3.11Å
665	A	94.3	Very high	77.4	Confident	35 Å²	35	79.6 Å²	79.6	29%	0.289	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-31.6	176.1	0	0	0	0	0	112.5	Q661 E662 L663 Y667 R668 Q669	Q661-A665 WeakPolarHBondContact O-CB 3.47Å; Q661-A665 PolarHBondContact O-N 3.3Å; E662-A665 WeakPolarHBondContact O-CB 3.41Å; E662-A665 PolarHBondContact O-N 3.49Å; L663-A665 VanDerWaalsContact C-N 3.3Å; L663-A665 PolarHBondContact O-N 2.97Å; A665-Y667 VanDerWaalsContact C-N 3.28Å; A665-Y667 PolarHBondContact O-N 3.16Å; A665-R668 PolarHBondContact O-N 3.15Å; A665-Q669 PolarHBondContact O-N 2.92Å
666	A	94.1	Very high	74.2	Confident	4 Å²	4	84.9 Å²	84.9	3%	0.033	45%	0.452	C	S	.	.	H	α-helix	trans	-58.2	-41	175.9	0	0	0	0	0	111.3	H496 A500 E662 L663 S664 R668 Q669	H496-A666 PolarHBondContact CE1-O 2.95Å; H496-A666 PolarHBondContact ND1-O 3.35Å; A500-A666 HydrophobicContact CB-CB 3.93Å; E662-A666 PolarHBondContact O-N 3.01Å; L663-A666 WeakPolarHBondContact O-CB 3.45Å; L663-A666 PolarHBondContact O-N 3.35Å; S664-A666 VanDerWaalsContact C-N 3.31Å; S664-A666 PolarHBondContact O-N 2.82Å; A666-R668 VanDerWaalsContact C-N 3.25Å; A666-R668 PolarHBondContact O-N 3.48Å; A666-Q669 PolarHBondContact O-N 3.38Å
667	Y	87.8	Confident	70.8	Confident	15 Å²	15	86.5 Å²	86.5	6%	0.059	48%	0.477	C	S	.	.	H	α-helix	trans	-63.2	-27.4	176.2	-81	-80	0	0	0	114	P494 V497 F584 L611 H616 S664 A665	P494-Y667 HydrophobicContact CG-CE1 4.34Å; V497-Y667 HydrophobicContact CB-CE2 4.42Å; V497-Y667 HydrophobicContact CG1-CE2 3.81Å; V497-Y667 HydrophobicContact CG2-CD1 3.89Å; V497-Y667 HydrophobicContact CG2-CD2 3.92Å; V497-Y667 HydrophobicContact CG2-CE1 3.66Å; V497-Y667 HydrophobicContact CG2-CE2 3.65Å; V497-Y667 HydrophobicContact CG2-CG 4.04Å; F584-Y667 VanDerWaalsContact CE1-OH 3.32Å; F584-Y667 WeakPolarHBondContact CE1-OH 2.85Å; L611-Y667 HydrophobicContact CD1-CD2 4.19Å; L611-Y667 HydrophobicContact CD1-CE1 3.93Å; L611-Y667 HydrophobicContact CD1-CE2 3.5Å; L611-Y667 VanDerWaalsContact CD1-CE2 3.5Å; L611-Y667 WeakPolarHBondContact CD1-OH 3.35Å; L611-Y667 HydrophobicContact CD2-CD2 3.88Å; L611-Y667 HydrophobicContact CD2-CE2 3.92Å; L611-Y667 HydrophobicContact CD2-CG 4.46Å; L611-Y667 HydrophobicContact CG-CE2 4.38Å; H616-Y667 HydrophobicContact CB-CD1 3.61Å; H616-Y667 HydrophobicContact CB-CE1 3.96Å; H616-Y667 HydrophobicContact CB-CG 4.31Å; S664-Y667 PolarHBondContact O-N 3.11Å; A665-Y667 VanDerWaalsContact C-N 3.28Å; A665-Y667 PolarHBondContact O-N 3.16Å
668	R	79.1	Confident	67.3	Low	202 Å²	202	88 Å²	88	76%	0.762	49%	0.489	S	S	*	.	H	α-helix	trans	-78.1	-20.6	178.9	-62.9	-178.9	-178.8	159.5	0.6	113.5	A665 A666 S670 G671	A665-R668 PolarHBondContact O-N 3.15Å; A666-R668 VanDerWaalsContact C-N 3.25Å; A666-R668 PolarHBondContact O-N 3.48Å; R668-S670 VanDerWaalsContact C-N 3.26Å; R668-S670 PolarHBondContact O-N 3.03Å; R668-G671 PolarHBondContact O-N 3.2Å
669	Q	62.3	Low	64	Low	123 Å²	123	88.2 Å²	88.2	58%	0.575	50%	0.503	S	S	*	.	H	α-helix	trans	-69.8	-23.7	-178.1	-67.5	179.5	11.5	0	0	112.7	A665 A666 G671 R672	A665-Q669 PolarHBondContact O-N 2.92Å; A666-Q669 PolarHBondContact O-N 3.38Å; Q669-G671 PolarHBondContact O-N 3.09Å; Q669-R672 PolarHBondContact O-N 2.69Å
670	S	52.7	Low	60.5	Low	22 Å²	22	90.6 Å²	90.6	15%	0.154	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-59	-28.7	175.8	-146.2	0	0	0	0	113	E617 R668 R672	E617-S670 WeakPolarHBondContact OE2-CB 3.24Å; E617-S670 PolarHBondContact OE2-OG 2.88Å; R668-S670 VanDerWaalsContact C-N 3.26Å; R668-S670 PolarHBondContact O-N 3.03Å; S670-R672 VanDerWaalsContact C-N 3.35Å; S670-R672 PolarHBondContact O-N 2.89Å
671	G	42.7	Very low	57.3	Low	68 Å²	68	95 Å²	95	70%	0.701	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-79	-2.9	-177	0	0	0	0	0	116.4	R668 Q669	R668-G671 PolarHBondContact O-N 3.2Å; Q669-G671 PolarHBondContact O-N 3.09Å
672	R	38.5	Very low	53.9	Low	220 Å²	220	94.1 Å²	94.1	83%	0.83	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-107.9	-2.8	-173	-77.3	-172.6	175.1	-176.4	-1.2	115.9	Q669 S670 H674	Q669-R672 PolarHBondContact O-N 2.69Å; S670-R672 VanDerWaalsContact C-N 3.35Å; S670-R672 PolarHBondContact O-N 2.89Å; R672-H674 PolarHBondContact O-N 3.2Å
673	S	36.3	Very low	50.6	Low	94 Å²	94	95.1 Å²	95.1	66%	0.657	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	23.5	-174.5	51.4	0	0	0	0	116.3
674	H	36.8	Very low	47.4	Very low	174 Å²	174	100 Å²	100	81%	0.806	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	18.2	172.8	-80.4	-54.3	0	0	0	115.5	R672	R672-H674 PolarHBondContact O-N 3.2Å
675	S	27.4	Very low	44.2	Very low	108 Å²	108	105.8 Å²	105.8	76%	0.755	65%	0.652	S	S	*	*	S	Bend	trans	-101.5	110.4	163.1	60.9	0	0	0	0	110.4	G677	S675-G677 PolarHBondContact O-N 2.8Å
676	S	30.5	Very low	41.1	Very low	123 Å²	123	108 Å²	108	86%	0.86	67%	0.671	S	S	*	*			trans	-66.6	119.9	173.9	51	0	0	0	0	111.7
677	G	27.1	Very low	38	Very low	70 Å²	70	117.2 Å²	117.2	72%	0.722	71%	0.71	S	S	*	*			trans	83.9	107.5	137.7	0	0	0	0	0	119.1	S675	S675-G677 PolarHBondContact O-N 2.8Å
678	S	25	Very low	35.2	Very low	124 Å²	124	123.5 Å²	123.5	87%	0.867	74%	0.744	S	S	*	*				-176.6	97.2	108.7	43.4	0	0	0	0	110.1
679	S	28.4	Very low	32.9	Very low	120 Å²	120	124.5 Å²	124.5	84%	0.839	75%	0.748	S	S	*	*			trans	-83.8	106.1	164	44	0	0	0	0	108.5	S681	S679-S681 PolarHBondContact O-N 2.81Å
680	S	26.3	Very low	31.3	Very low	121 Å²	121	125.9 Å²	125.9	85%	0.846	76%	0.759	S	S	*	*			trans	-73.4	104.1	165.2	45.9	0	0	0	0	109	S682	S680-S682 PolarHBondContact O-N 3.34Å
681	S	29.7	Very low	30.3	Very low	109 Å²	109	130 Å²	130	76%	0.762	79%	0.788	S	S	*	*			trans	-64.5	120.7	171.5	50	0	0	0	0	110.8	S679	S679-S681 PolarHBondContact O-N 2.81Å
682	S	25.6	Very low	29.6	Very low	125 Å²	125	130.1 Å²	130.1	87%	0.874	79%	0.79	S	S	*	*			trans	-90.2	116.2	159.4	45.6	0	0	0	0	108.8	S680	S680-S682 PolarHBondContact O-N 3.34Å
683	S	27.5	Very low	29.3	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	79%	0.792	S	S	*	*			trans	-129.9	116	168.9	58.5	0	0	0	0	108.9
684	S	28.4	Very low	29.1	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	79%	0.788	S	S	*	*			trans	-75	130.9	162.8	47.1	0	0	0	0	110
685	D	28.5	Very low	29	Very low	153 Å²	153	132 Å²	132	82%	0.818	79%	0.788	S	S	*	*				-179.5	132.5	115.1	-95.9	-27.5	0	0	0	115.2
686	A	28.5	Very low	29.1	Very low	82 Å²	82	130.2 Å²	130.2	68%	0.678	79%	0.787	S	S	*	*			trans	62	119.5	136.3	0	0	0	0	0	123.9
687	K	29.1	Very low	30	Very low	197 Å²	197	130.3 Å²	130.3	86%	0.857	78%	0.784	S	S	*	*			trans	70.3	116.6	139.5	-69.7	178.1	176.1	176.6	0	118.8
688	D	29.4	Very low	30.2	Very low	147 Å²	147	132.2 Å²	132.2	79%	0.786	79%	0.787	S	S	*	*				-164.9	163	92.2	-127.7	-25.8	0	0	0	114.2
689	R	31	Very low	30.6	Very low	222 Å²	222	136.7 Å²	136.7	84%	0.838	79%	0.785	S	S	*	*			trans	-39.7	138.6	-172.9	-79.5	163.9	168.2	-171.5	-3	122.5
690	D	28.5	Very low	31	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	78%	0.781	S	S	*	*				85.1	141.5	116.4	-155.4	25.2	0	0	0	121.8
691	S	31.1	Very low	32.2	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	77%	0.773	S	S	*	*			trans	89.7	110	159.3	73.2	0	0	0	0	120.5
692	G	29.1	Very low	32.4	Very low	72 Å²	72	141.1 Å²	141.1	74%	0.742	78%	0.776	S	S	*	*				113.6	106.8	126	0	0	0	0	0	117.5
693	R	32.2	Very low	34	Very low	230 Å²	230	140.6 Å²	140.6	87%	0.868	77%	0.769	S	S	*	*				50.7	140.1	128.6	-86.3	-175.1	163.8	154.9	1.6	118.4
694	E	32.1	Very low	34.6	Very low	126 Å²	126	145.7 Å²	145.7	59%	0.589	80%	0.796	S	S	*	*			cis	178.8	155.6	3.5	-131.7	173.2	-135.5	0	0	103.8
695	Q	33.1	Very low	34.9	Very low	171 Å²	171	147.9 Å²	147.9	80%	0.799	80%	0.8	S	S	*	*			trans	76.9	123.9	154.2	-61.1	176.4	44.3	0	0	120.1
696	G	30	Very low	35.3	Very low	71 Å²	71	147.6 Å²	147.6	73%	0.732	80%	0.799	S	S	*	*			trans	-85	-131	172.2	0	0	0	0	0	113.4
697	P	50	Low	35.7	Very low	124 Å²	124	151.2 Å²	151.2	81%	0.805	81%	0.806	S	S	*	*				-122.1	165.5	-83.3	37.3	-29.4	0	0	0	111.5
698	S	31.8	Very low	36	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	80%	0.803	S	S	*	*			trans	171.2	116.2	150.5	-82.1	0	0	0	0	110.7
699	R	32.6	Very low	36.5	Very low	217 Å²	217	148.6 Å²	148.6	82%	0.819	80%	0.804	S	S	*	*				68.8	102.4	95.9	-87.3	-173.5	165.6	177.7	-2.9	113.4
700	E	37.7	Very low	36.8	Very low	161 Å²	161	143.7 Å²	143.7	75%	0.752	80%	0.802	S	S	*	*				97.8	166.3	103.2	-93.6	-170.4	-156.6	0	0	111.4
701	P	50.5	Low	37.4	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	80%	0.801	S	S	*	*				-124.1	-176.4	-75.1	28.8	-6	0	0	0	112.2
702	H	34.2	Very low	37.9	Very low	177 Å²	177	145.8 Å²	145.8	82%	0.819	80%	0.804	S	S	*	*			trans	-26	160.9	161.3	-72.7	-63.4	0	0	0	116.8
703	P	58	Low	38.6	Very low	113 Å²	113	152 Å²	152	73%	0.734	81%	0.809	S	S	*	*			cis	-153.4	159.2	41.1	39	-17	0	0	0	118.6
704	T	41.5	Very low	39.2	Very low	217 Å²	217	144.9 Å²	144.9	100%	1.331	80%	0.804	S	S	*	*				-171.7	0	112.2	8.2	0	0	0	0	110.5

Retrieved 704 of 704 residues in 256.5 ms (Link to these results)

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