A0A087YJP3_POEFO Loading...

NAD-dependent protein deacylase

NAD-dependent protein deacylase. Catalyzes the NAD-dependent hydrolysis of acyl groups from lysine residues.

AlphaFold DB , UniProt , Accession A0A087YJP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	38.9	Very low	248 Å²	248	177.2 Å²	177.2	100%	1.222	89%	0.886	S	S	*	*				0	105	0	-94.1	170.5	157.9	0	0	108.8
2	R	35.6	Very low	38.7	Very low	253 Å²	253	172.3 Å²	172.3	96%	0.955	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-99.5	126.1	175.6	-75.8	-178.3	175.6	-167.5	-1.4	108.1
3	L	42.4	Very low	38.6	Very low	166 Å²	166	165.5 Å²	165.5	87%	0.869	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-70.4	147.4	174	-82.6	142.4	0	0	0	110.7
4	P	38.1	Very low	38.4	Very low	114 Å²	114	162.4 Å²	162.4	74%	0.74	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-80.4	139.7	-176.2	32.9	-33.3	0	0	0	111.8	R6	P4-R6 PolarHBondContact O-N 3.21Å
5	L	38.5	Very low	38.2	Very low	171 Å²	171	159.9 Å²	159.9	90%	0.895	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-60.5	124.3	171	-84.8	119.5	0	0	0	110.3	L7	L5-L7 PolarHBondContact O-N 3.45Å
6	R	40.3	Very low	38	Very low	231 Å²	231	163 Å²	163	87%	0.872	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-71.6	116.5	166.5	-73.8	-174.2	177.4	-164.1	-0.4	108.9	P4 F8	P4-R6 PolarHBondContact O-N 3.21Å; R6-F8 PolarHBondContact O-N 3.19Å
7	L	37.6	Very low	37.9	Very low	172 Å²	172	160.1 Å²	160.1	90%	0.901	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-67.3	119.4	167.9	-80.7	142.4	0	0	0	109.1	L5	L5-L7 PolarHBondContact O-N 3.45Å
8	F	38.6	Very low	37.8	Very low	195 Å²	195	160.6 Å²	160.6	86%	0.855	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-73.7	137.4	165.3	-72.7	-85.9	0	0	0	109.1	R6 S10	R6-F8 PolarHBondContact O-N 3.19Å; F8-S10 PolarHBondContact O-N 3.12Å
9	P	37.5	Very low	38.1	Very low	121 Å²	121	155.4 Å²	155.4	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68.2	130.8	173	26.5	-29.7	0	0	0	109.8	L11	P9-L11 PolarHBondContact O-N 2.88Å
10	S	36.9	Very low	38.3	Very low	113 Å²	113	153.5 Å²	153.5	79%	0.79	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-59.4	125.2	176.9	43.7	0	0	0	0	111.1	F8	F8-S10 PolarHBondContact O-N 3.12Å
11	L	40.9	Very low	38.8	Very low	165 Å²	165	147.7 Å²	147.7	86%	0.864	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-55	132	167	-76.7	157.8	0	0	0	109.1	P9	P9-L11 PolarHBondContact O-N 2.88Å
12	P	36.2	Very low	39	Very low	119 Å²	119	139.7 Å²	139.7	77%	0.773	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-65.5	139.2	174.4	26.3	-30.5	0	0	0	109.6
13	A	37.3	Very low	39.5	Very low	83 Å²	83	131.8 Å²	131.8	69%	0.686	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-54.5	147	176.3	0	0	0	0	0	111.1	V15	A13-V15 PolarHBondContact O-N 2.9Å
14	P	36.4	Very low	39.9	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.6	117.6	-179.6	24.8	-30.9	0	0	0	109.2	R16	P14-R16 PolarHBondContact O-N 2.96Å
15	V	34.4	Very low	41	Very low	125 Å²	125	125.7 Å²	125.7	76%	0.758	71%	0.708	S	S	*	*			trans	-61.6	110.1	170.3	178.6	0	0	0	0	106.7	A13 T17	A13-V15 PolarHBondContact O-N 2.9Å; V15-T17 HydrophobicContact CG1-CG2 4.2Å; V15-T17 PolarHBondContact O-N 3.22Å
16	R	36.3	Very low	42.7	Very low	209 Å²	209	119.9 Å²	119.9	79%	0.789	68%	0.677	S	S	*	*			trans	-65.8	86.1	170.1	-78.7	-176.2	171.4	-174.7	-2.7	108.7	P14 F18	P14-R16 PolarHBondContact O-N 2.96Å; R16-F18 VanDerWaalsContact C-N 3.27Å; R16-F18 HydrophobicContact CB-CD2 4.33Å; R16-F18 HydrophobicContact CB-CE2 4.33Å; R16-F18 PolarHBondContact O-N 3.24Å
17	T	34.9	Very low	44.7	Very low	113 Å²	113	114 Å²	114	69%	0.693	66%	0.663	S	S	*	*			trans	-74.3	89.6	160.9	49.9	0	0	0	0	107.2	V15 S19	V15-T17 HydrophobicContact CG1-CG2 4.2Å; V15-T17 PolarHBondContact O-N 3.22Å; T17-S19 PolarHBondContact O-N 3.33Å
18	F	37.1	Very low	47	Very low	170 Å²	170	107.5 Å²	107.5	75%	0.746	63%	0.628	S	S	*	*			trans	-56.1	112.6	163.9	-85.4	-87.1	0	0	0	107.4	R16 S20	R16-F18 VanDerWaalsContact C-N 3.27Å; R16-F18 HydrophobicContact CB-CD2 4.33Å; R16-F18 HydrophobicContact CB-CE2 4.33Å; R16-F18 PolarHBondContact O-N 3.24Å; F18-S20 PolarHBondContact O-N 2.84Å
19	S	43.4	Very low	49.5	Very low	62 Å²	62	99.1 Å²	99.1	43%	0.434	59%	0.592	S	S	.	*			trans	-54.6	101.8	170.3	158.3	0	0	0	0	108.3	T17 V21	T17-S19 PolarHBondContact O-N 3.33Å; S19-V21 PolarHBondContact O-N 2.94Å; S19-V21 WeakPolarHBondContact OG-CG2 3.42Å
20	S	41.9	Very low	52	Low	117 Å²	117	94 Å²	94	82%	0.818	56%	0.56	S	S	*	*			trans	-75.7	53.6	-180	54.1	0	0	0	0	111.6	F18 P22	F18-S20 PolarHBondContact O-N 2.84Å; S20-P22 WeakPolarHBondContact O-CD 3.45Å
21	V	48.3	Very low	54.6	Low	32 Å²	32	93.7 Å²	93.7	19%	0.194	56%	0.563	C	S	.	*			trans	-79.3	118.2	168.4	178.9	0	0	0	0	106.6	S19 A23 K25 L26	S19-V21 PolarHBondContact O-N 2.94Å; S19-V21 WeakPolarHBondContact OG-CG2 3.42Å; V21-A23 PolarHBondContact O-N 2.71Å; V21-K25 HydrophobicContact CG1-CB 3.55Å; V21-K25 HydrophobicContact CG1-CD 4.5Å; V21-L26 HydrophobicContact CB-CD2 4.23Å; V21-L26 HydrophobicContact CB-CG 4.43Å; V21-L26 HydrophobicContact CG1-CD2 3.66Å; V21-L26 HydrophobicContact CG1-CG 3.83Å
22	P	46.7	Very low	56.9	Low	80 Å²	80	88 Å²	88	52%	0.519	54%	0.537	S	S	.	.			trans	-54.2	138.4	176.5	-22.5	31.5	0	0	0	110.3	S20 G24 K25	S20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-G24 PolarHBondContact O-N 2.92Å; P22-K25 PolarHBondContact O-N 2.69Å
23	A	46.3	Very low	59.4	Low	87 Å²	87	86.7 Å²	86.7	72%	0.719	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-49.6	-32.9	-172.6	0	0	0	0	0	114.2	V21 K25 L26	V21-A23 PolarHBondContact O-N 2.71Å; A23-K25 PolarHBondContact O-N 2.87Å; A23-L26 PolarHBondContact O-N 3.41Å
24	G	51.2	Low	61.9	Low	53 Å²	53	87.4 Å²	87.4	55%	0.546	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-71.4	-17.1	177.4	0	0	0	0	0	116.2	P22 L26 N27	P22-G24 PolarHBondContact O-N 2.92Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-N27 PolarHBondContact O-ND2 3.14Å
25	K	59.2	Low	64.6	Low	98 Å²	98	82.1 Å²	82.1	43%	0.426	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-83.8	-8.2	178	-75.1	-169.3	-176.2	179.6	0	113.7	V21 P22 A23	V21-K25 HydrophobicContact CG1-CB 3.55Å; V21-K25 HydrophobicContact CG1-CD 4.5Å; P22-K25 PolarHBondContact O-N 2.69Å; A23-K25 PolarHBondContact O-N 2.87Å
26	L	74.6	Confident	67.4	Low	49 Å²	49	80.3 Å²	80.3	26%	0.257	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-95.9	0.7	-179.8	-61.2	177.6	0	0	0	113.6	V21 A23 G24 F28 V29	V21-L26 HydrophobicContact CB-CD2 4.23Å; V21-L26 HydrophobicContact CB-CG 4.43Å; V21-L26 HydrophobicContact CG1-CD2 3.66Å; V21-L26 HydrophobicContact CG1-CG 3.83Å; A23-L26 PolarHBondContact O-N 3.41Å; G24-L26 VanDerWaalsContact C-N 3.35Å; L26-F28 PolarHBondContact O-N 3.33Å; L26-V29 HydrophobicContact CB-CG2 4.43Å; L26-V29 HydrophobicContact CD2-CG2 3.79Å; L26-V29 PolarHBondContact O-N 3.02Å
27	N	82	Confident	70.3	Confident	107 Å²	107	73.6 Å²	73.6	57%	0.572	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.2	-177	-67.4	-10.1	0	0	0	114.3	G24	G24-N27 PolarHBondContact O-ND2 3.14Å
28	F	87.4	Confident	73.3	Confident	37 Å²	37	74.9 Å²	74.9	16%	0.162	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	2.1	178.5	-56	-46	0	0	0	114.2	L26 T63 G66 P68 V75 R80	L26-F28 PolarHBondContact O-N 3.33Å; F28-T63 HydrophobicContact CB-CG2 4.48Å; F28-T63 WeakPolarHBondContact O-CG2 3.23Å; F28-G66 VanDerWaalsContact CD2-O 3.31Å; F28-G66 WeakPolarHBondContact CD2-O 3.39Å; F28-G66 WeakPolarHBondContact CE2-O 3.31Å; F28-P68 HydrophobicContact CB-CB 4.31Å; F28-P68 HydrophobicContact CD1-CB 3.8Å; F28-P68 HydrophobicContact CD2-CB 4.06Å; F28-P68 HydrophobicContact CE1-CB 4.13Å; F28-P68 HydrophobicContact CE2-CB 4.34Å; F28-P68 HydrophobicContact CE2-CG 4.41Å; F28-P68 HydrophobicContact CG-CB 3.78Å; F28-P68 HydrophobicContact CZ-CB 4.37Å; F28-P68 HydrophobicContact CZ-CG 4.48Å; F28-V75 WeakPolarHBondContact O-CG2 3.49Å; F28-R80 VanDerWaalsContact CE1-NH2 3.28Å
29	V	90.9	Very high	76.1	Confident	18 Å²	18	67.9 Å²	67.9	11%	0.109	43%	0.433	C	S	.	.	S	Bend	trans	-85.8	120.5	175.4	-176.3	0	0	0	0	107.5	L26 E64 I283 R299	L26-V29 HydrophobicContact CB-CG2 4.43Å; L26-V29 HydrophobicContact CD2-CG2 3.79Å; L26-V29 PolarHBondContact O-N 3.02Å; V29-E64 HydrophobicContact CG2-CG 3.78Å; V29-I283 HydrophobicContact CG1-CD1 4Å; V29-R299 HydrophobicContact CG1-CG 4.03Å
30	P	90.1	Very high	78.7	Confident	15 Å²	15	67 Å²	67	10%	0.097	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-63.8	155.6	177.1	25.8	-34.4	0	0	0	111.1	C32 S72 V75 I283	P30-C32 PolarHBondContact O-N 3.24Å; P30-S72 WeakPolarHBondContact CG-OG 3.48Å; P30-V75 HydrophobicContact CB-CG2 3.95Å; P30-I283 HydrophobicContact CB-CG2 4.34Å; P30-I283 HydrophobicContact CG-CB 4.12Å; P30-I283 HydrophobicContact CG-CD1 3.68Å; P30-I283 HydrophobicContact CG-CG1 4.49Å; P30-I283 HydrophobicContact CG-CG2 3.85Å
31	A	90.2	Very high	81.4	Confident	105 Å²	105	66.3 Å²	66.3	87%	0.868	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-55.9	129.4	175.5	0	0	0	0	0	110.7
32	C	90.6	Very high	83.8	Confident	47 Å²	47	67.7 Å²	67.7	32%	0.318	41%	0.413	S	S	.	.			trans	-154.5	143.6	179.5	-167.2	0	0	0	0	109.6	P30 I283	P30-C32 PolarHBondContact O-N 3.24Å; C32-I283 HydrophobicContact CB-CB 4.33Å; C32-I283 HydrophobicContact CB-CD1 3.96Å; C32-I283 HydrophobicContact CB-CG1 3.9Å; C32-I283 HydrophobicContact CB-CG2 3.6Å
33	S	88.3	Confident	86.2	Confident	91 Å²	91	63.9 Å²	63.9	64%	0.636	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-74.6	158.5	164.5	54.7	0	0	0	0	110.8
34	T	89.9	Confident	88.7	Confident	98 Å²	98	61.5 Å²	61.5	60%	0.601	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-58.8	144.1	167.6	52.6	0	0	0	0	110.1	E302	T34-E302 VanDerWaalsContact CB-OE1 3.25Å; T34-E302 WeakPolarHBondContact CB-OE1 3.31Å; T34-E302 VanDerWaalsContact CG2-OE1 3.26Å; T34-E302 WeakPolarHBondContact CG2-OE1 3.47Å
35	A	92.6	Very high	91	Very high	11 Å²	11	63.1 Å²	63.1	9%	0.091	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-66.3	135.7	175.4	0	0	0	0	0	109.8	L40 V296 V303	A35-L40 HydrophobicContact CB-CD2 3.99Å; A35-L40 HydrophobicContact CB-CG 4.23Å; A35-V296 HydrophobicContact CB-CG1 3.97Å; A35-V303 HydrophobicContact CB-CG2 3.81Å
36	D	94.4	Very high	92.8	Very high	87 Å²	87	58.6 Å²	58.6	47%	0.465	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-72.7	157.6	177.8	68.9	90.2	0	0	0	111.6	R38 S39 L40	D36-R38 PolarHBondContact O-N 3.45Å; D36-R38 WeakPolarHBondContact OD1-CA 3.46Å; D36-R38 VanDerWaalsContact OD1-CB 3.28Å; D36-R38 WeakPolarHBondContact OD1-CB 3.43Å; D36-R38 PolarHBondContact OD1-N 2.93Å; D36-S39 WeakPolarHBondContact O-CB 3.41Å; D36-S39 PolarHBondContact O-N 3.03Å; D36-S39 PolarHBondContact OD1-N 3.4Å; D36-S39 PolarHBondContact OD1-OG 2.9Å; D36-S39 VanDerWaalsContact OD2-CB 3.32Å; D36-S39 WeakPolarHBondContact OD2-CB 3.33Å; D36-S39 PolarHBondContact OD2-OG 3.44Å; D36-L40 WeakPolarHBondContact O-CG 3.43Å; D36-L40 PolarHBondContact O-N 2.89Å; D36-L40 VanDerWaalsContact O-N 3.11Å
37	A	96	Very high	94	Very high	69 Å²	69	56.3 Å²	56.3	57%	0.57	33%	0.327	S	S	*	.	H	α-helix	trans	-57.9	-36	-176.5	0	0	0	0	0	112.8	L40 E41	A37-L40 PolarHBondContact O-N 3.36Å; A37-E41 WeakPolarHBondContact O-CG 3.42Å; A37-E41 PolarHBondContact O-N 3.13Å
38	R	97.2	Very high	94.7	Very high	139 Å²	139	53.5 Å²	53.5	53%	0.525	32%	0.315	S	S	.	.	H	α-helix	trans	-68.8	-42.1	-179.5	-179.3	58.3	179	169.4	3.2	111.2	D36 L40 E41 L42	D36-R38 PolarHBondContact O-N 3.45Å; D36-R38 WeakPolarHBondContact OD1-CA 3.46Å; D36-R38 VanDerWaalsContact OD1-CB 3.28Å; D36-R38 WeakPolarHBondContact OD1-CB 3.43Å; D36-R38 PolarHBondContact OD1-N 2.93Å; R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 3.49Å; R38-E41 IonicContact NH1-OE2 3.59Å; R38-E41 PolarHBondContact NH1-OE2 3.25Å; R38-E41 VanDerWaalsContact NH1-OE2 3.15Å; R38-E41 PolarHBondContact O-N 2.95Å; R38-L42 HydrophobicContact CG-CD1 4.28Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.39Å; R38-L42 PolarHBondContact O-N 3.39Å
39	S	97.3	Very high	95.2	Very high	24 Å²	24	59 Å²	59	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-39.1	173.3	-68.8	0	0	0	0	112.3	D36 L43 V296	D36-S39 WeakPolarHBondContact O-CB 3.41Å; D36-S39 PolarHBondContact O-N 3.03Å; D36-S39 PolarHBondContact OD1-N 3.4Å; D36-S39 PolarHBondContact OD1-OG 2.9Å; D36-S39 VanDerWaalsContact OD2-CB 3.32Å; D36-S39 WeakPolarHBondContact OD2-CB 3.33Å; D36-S39 PolarHBondContact OD2-OG 3.44Å; S39-L43 PolarHBondContact O-N 3.42Å; S39-L43 VanDerWaalsContact O-N 3.09Å; S39-V296 WeakPolarHBondContact O-CG2 3.38Å
40	L	97.8	Very high	95.5	Very high	44 Å²	44	58.3 Å²	58.3	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-43.9	176.5	-66	176.2	0	0	0	112.2	A35 D36 A37 R38 L43 Q44 V303 V306 I307	A35-L40 HydrophobicContact CB-CD2 3.99Å; A35-L40 HydrophobicContact CB-CG 4.23Å; D36-L40 WeakPolarHBondContact O-CG 3.43Å; D36-L40 PolarHBondContact O-N 2.89Å; D36-L40 VanDerWaalsContact O-N 3.11Å; A37-L40 PolarHBondContact O-N 3.36Å; R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 3.49Å; L40-L43 PolarHBondContact O-N 3.22Å; L40-Q44 WeakPolarHBondContact O-CB 3.39Å; L40-Q44 PolarHBondContact O-N 3.5Å; L40-V303 HydrophobicContact CD2-CB 4.26Å; L40-V303 HydrophobicContact CD2-CG1 3.79Å; L40-V303 HydrophobicContact CD2-CG2 4.03Å; L40-V306 HydrophobicContact CD1-CG2 4.27Å; L40-V306 HydrophobicContact CD2-CG2 4.1Å; L40-I307 WeakPolarHBondContact O-CD1 3.48Å
41	E	98.1	Very high	95.8	Very high	102 Å²	102	67.3 Å²	67.3	48%	0.477	36%	0.363	S	S	.	.	H	α-helix	trans	-58.4	-48.4	174.2	-74.4	169.8	-171.6	0	0	111.5	A37 R38 L43 Q44 D45	A37-E41 WeakPolarHBondContact O-CG 3.42Å; A37-E41 PolarHBondContact O-N 3.13Å; R38-E41 IonicContact NH1-OE2 3.59Å; R38-E41 PolarHBondContact NH1-OE2 3.25Å; R38-E41 VanDerWaalsContact NH1-OE2 3.15Å; R38-E41 PolarHBondContact O-N 2.95Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-L43 PolarHBondContact O-N 3.38Å; E41-Q44 WeakPolarHBondContact O-CB 3.49Å; E41-Q44 PolarHBondContact O-N 3.34Å; E41-Q44 VanDerWaalsContact O-N 3.15Å; E41-D45 PolarHBondContact O-N 3.36Å
42	L	98.4	Very high	96.2	Very high	60 Å²	60	67.8 Å²	67.8	31%	0.314	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-38.1	179.5	-70.7	171.8	0	0	0	112.2	R38 F46 L294	R38-L42 HydrophobicContact CG-CD1 4.28Å; R38-L42 VanDerWaalsContact O-CG 3.3Å; R38-L42 WeakPolarHBondContact O-CG 3.39Å; R38-L42 PolarHBondContact O-N 3.39Å; L42-F46 WeakPolarHBondContact O-CB 3.3Å; L42-F46 PolarHBondContact O-N 3.18Å; L42-L294 VanDerWaalsContact C-CD2 3.46Å; L42-L294 HydrophobicContact CB-CD1 3.82Å; L42-L294 HydrophobicContact CB-CD2 3.86Å; L42-L294 HydrophobicContact CD1-CD1 4.07Å; L42-L294 WeakPolarHBondContact O-CD2 3.21Å
43	L	98.5	Very high	96.6	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-71.1	-39	176.1	-178.1	61.4	0	0	0	111.7	S39 L40 E41 D45 F46 V47 L253 A279 L294 V296 V303 I307	S39-L43 PolarHBondContact O-N 3.42Å; S39-L43 VanDerWaalsContact O-N 3.09Å; L40-L43 PolarHBondContact O-N 3.22Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-L43 PolarHBondContact O-N 3.38Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-F46 PolarHBondContact O-N 2.7Å; L43-V47 HydrophobicContact CD1-CG2 4.35Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 3.32Å; L43-L253 HydrophobicContact CD1-CD1 4.03Å; L43-A279 HydrophobicContact CD1-CB 4.35Å; L43-L294 HydrophobicContact CB-CD2 4.06Å; L43-L294 HydrophobicContact CD1-CD2 4.34Å; L43-V296 HydrophobicContact CB-CG2 3.89Å; L43-V296 HydrophobicContact CD2-CG2 4.19Å; L43-V296 HydrophobicContact CG-CG2 4.5Å; L43-V303 HydrophobicContact CD2-CG1 3.45Å; L43-V303 VanDerWaalsContact CD2-CG1 3.45Å; L43-I307 HydrophobicContact CB-CD1 4.24Å; L43-I307 HydrophobicContact CD2-CD1 4.26Å; L43-I307 HydrophobicContact CD2-CG1 4.05Å; L43-I307 HydrophobicContact CG-CD1 4.2Å; L43-I307 HydrophobicContact CG-CG1 4.3Å
44	Q	98.6	Very high	97.1	Very high	37 Å²	37	61.2 Å²	61.2	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-46.6	173.3	179.9	61.3	70.7	0	0	110.3	L40 E41 V47 S48 I307 Q308	L40-Q44 WeakPolarHBondContact O-CB 3.39Å; L40-Q44 PolarHBondContact O-N 3.5Å; E41-Q44 WeakPolarHBondContact O-CB 3.49Å; E41-Q44 PolarHBondContact O-N 3.34Å; E41-Q44 VanDerWaalsContact O-N 3.15Å; Q44-V47 PolarHBondContact O-N 3.11Å; Q44-S48 PolarHBondContact NE2-OG 2.55Å; Q44-S48 WeakPolarHBondContact O-CB 3.46Å; Q44-S48 PolarHBondContact O-N 2.78Å; Q44-S48 PolarHBondContact O-OG 2.96Å; Q44-I307 HydrophobicContact CB-CD1 3.98Å; Q44-Q308 PolarHBondContact NE2-O 3.17Å
45	D	98.2	Very high	97.5	Very high	86 Å²	86	56.6 Å²	56.6	46%	0.46	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-41.7	177.5	-72.7	-17.1	0	0	0	112	E41 L43 R49	E41-D45 PolarHBondContact O-N 3.36Å; L43-D45 VanDerWaalsContact C-N 3.33Å; D45-R49 VanDerWaalsContact O-CG 3.23Å; D45-R49 WeakPolarHBondContact O-CG 3.45Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 VanDerWaalsContact O-N 3.11Å; D45-R49 PolarHBondContact O-NE 3.09Å
46	F	98.5	Very high	97.8	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-49.6	173.2	-179.1	-85.6	0	0	0	111.6	L42 L43 R49 L53 A251 V252 P277 A279 L294	L42-F46 WeakPolarHBondContact O-CB 3.3Å; L42-F46 PolarHBondContact O-N 3.18Å; L43-F46 PolarHBondContact O-N 2.7Å; F46-R49 PolarHBondContact O-N 3.46Å; F46-L53 HydrophobicContact CE1-CD1 4.04Å; F46-A251 HydrophobicContact CE1-CB 4.09Å; F46-A251 HydrophobicContact CZ-CB 3.82Å; F46-V252 WeakPolarHBondContact CZ-O 3.42Å; F46-P277 HydrophobicContact CE2-CB 3.59Å; F46-P277 HydrophobicContact CZ-CB 4.15Å; F46-A279 HydrophobicContact CD1-CB 3.58Å; F46-A279 HydrophobicContact CD2-CB 3.83Å; F46-A279 HydrophobicContact CE1-CB 3.46Å; F46-A279 VanDerWaalsContact CE1-CB 3.46Å; F46-A279 HydrophobicContact CE2-CB 3.69Å; F46-A279 HydrophobicContact CG-CB 3.77Å; F46-A279 HydrophobicContact CZ-CB 3.51Å; F46-L294 HydrophobicContact CB-CD2 4.27Å
47	V	98.3	Very high	98.1	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-51.7	179.3	170.8	0	0	0	0	109.7	L43 Q44 R49 S50 L53 W127 K132 I307	L43-V47 HydrophobicContact CD1-CG2 4.35Å; L43-V47 WeakPolarHBondContact O-CB 3.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.45Å; L43-V47 PolarHBondContact O-N 3.32Å; Q44-V47 PolarHBondContact O-N 3.11Å; V47-R49 VanDerWaalsContact C-N 3.26Å; V47-R49 PolarHBondContact O-N 3.04Å; V47-S50 PolarHBondContact O-N 3.42Å; V47-L53 HydrophobicContact CG2-CD2 4.47Å; V47-W127 HydrophobicContact CG1-CH2 4.04Å; V47-W127 HydrophobicContact CG1-CZ3 4.02Å; V47-W127 HydrophobicContact CG2-CH2 3.75Å; V47-W127 HydrophobicContact CG2-CZ3 3.93Å; V47-K132 HydrophobicContact CG1-CG 4.38Å; V47-K132 WeakPolarHBondContact O-CE 3.33Å; V47-K132 PolarHBondContact O-NZ 2.72Å; V47-I307 HydrophobicContact CB-CG2 4.17Å; V47-I307 HydrophobicContact CG1-CG2 4.23Å; V47-I307 HydrophobicContact CG2-CG2 4.07Å
48	S	97.7	Very high	98.2	Very high	48 Å²	48	48.7 Å²	48.7	34%	0.336	22%	0.216	S	C	.	.	H	α-helix	trans	-53.7	-38.1	-179.4	-64	0	0	0	0	113.4	Q44 S50 K132	Q44-S48 PolarHBondContact NE2-OG 2.55Å; Q44-S48 WeakPolarHBondContact O-CB 3.46Å; Q44-S48 PolarHBondContact O-N 2.78Å; Q44-S48 PolarHBondContact O-OG 2.96Å; S48-S50 PolarHBondContact O-N 3Å; S48-K132 PolarHBondContact O-NZ 2.86Å
49	R	96.9	Very high	98.1	Very high	153 Å²	153	43 Å²	43	58%	0.577	20%	0.198	S	C	*	.	H	α-helix	trans	-67.7	-29.8	178.9	-73.7	179.2	-65.9	162.6	0.9	114.1	D45 F46 V47 E293	D45-R49 VanDerWaalsContact O-CG 3.23Å; D45-R49 WeakPolarHBondContact O-CG 3.45Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 VanDerWaalsContact O-N 3.11Å; D45-R49 PolarHBondContact O-NE 3.09Å; F46-R49 PolarHBondContact O-N 3.46Å; V47-R49 VanDerWaalsContact C-N 3.26Å; V47-R49 PolarHBondContact O-N 3.04Å; R49-E293 IonicContact CZ-OE1 2.92Å; R49-E293 IonicContact NH1-OE1 3.16Å; R49-E293 PolarHBondContact NH1-OE1 2.72Å; R49-E293 IonicContact NH2-OE1 2.71Å; R49-E293 PolarHBondContact NH2-OE1 3.23Å
50	S	97.8	Very high	98.1	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	20%	0.197	C	C	.	.			trans	-80.6	133.4	-178.4	172.6	0	0	0	0	111.4	V47 S48 L53 K132 D250	V47-S50 PolarHBondContact O-N 3.42Å; S48-S50 PolarHBondContact O-N 3Å; S50-L53 WeakPolarHBondContact OG-CA 3.45Å; S50-L53 WeakPolarHBondContact OG-CB 3.38Å; S50-L53 PolarHBondContact OG-N 2.89Å; S50-K132 WeakPolarHBondContact O-CE 3.42Å; S50-K132 PolarHBondContact O-NZ 3.33Å; S50-D250 WeakPolarHBondContact CA-OD1 3.49Å; S50-D250 WeakPolarHBondContact CB-OD1 3.35Å; S50-D250 PolarHBondContact OG-OD1 3.25Å
51	R	97.5	Very high	98.1	Very high	204 Å²	204	40.4 Å²	40.4	77%	0.77	19%	0.186	S	C	*	.	S	Bend	trans	-97.2	-23.8	170.5	-65	-177.2	178.3	176.9	0.6	112.1	D250	R51-D250 WeakPolarHBondContact CA-OD2 3.47Å; R51-D250 WeakPolarHBondContact CB-OD2 3.24Å; R51-D250 PolarHBondContact N-OD1 3.17Å; R51-D250 PolarHBondContact N-OD2 3.32Å
52	R	98.3	Very high	98.1	Very high	115 Å²	115	35.6 Å²	35.6	43%	0.434	16%	0.163	S	C	.	.	S	Bend	trans	-135.4	75.7	-176.2	-68.7	-175.4	-56.5	-72.6	-7.6	109.2	F54 H134 E248 A249 D250	R52-F54 PolarHBondContact O-N 3.42Å; R52-H134 HydrophobicContact CB-CB 3.74Å; R52-H134 HydrophobicContact CG-CB 4.44Å; R52-E248 WeakPolarHBondContact CD-O 3.5Å; R52-E248 PolarHBondContact NE-O 3.06Å; R52-A249 VanDerWaalsContact O-CA 3.31Å; R52-A249 WeakPolarHBondContact O-CA 3.36Å; R52-A249 VanDerWaalsContact O-CB 3.24Å; R52-A249 WeakPolarHBondContact O-CB 3.15Å; R52-D250 PolarHBondContact N-OD1 3.39Å; R52-D250 VanDerWaalsContact N-OD1 3.08Å; R52-D250 PolarHBondContact N-OD2 2.96Å; R52-D250 PolarHBondContact O-N 3.46Å; R52-D250 VanDerWaalsContact O-N 3.11Å
53	L	98.8	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.6	-174.3	-170.6	65.9	0	0	0	111.1	F46 V47 S50 V55 W127 K132 H134 A251 L253	F46-L53 HydrophobicContact CE1-CD1 4.04Å; V47-L53 HydrophobicContact CG2-CD2 4.47Å; S50-L53 WeakPolarHBondContact OG-CA 3.45Å; S50-L53 WeakPolarHBondContact OG-CB 3.38Å; S50-L53 PolarHBondContact OG-N 2.89Å; L53-V55 HydrophobicContact CD2-CG2 4.17Å; L53-V55 HydrophobicContact CG-CG2 4.18Å; L53-W127 HydrophobicContact CD2-CE3 3.99Å; L53-W127 HydrophobicContact CD2-CZ3 3.66Å; L53-K132 WeakPolarHBondContact CB-O 3.26Å; L53-K132 PolarHBondContact N-O 3.45Å; L53-K132 VanDerWaalsContact N-O 3.1Å; L53-H134 PolarHBondContact O-N 3Å; L53-A251 HydrophobicContact CD1-CB 3.88Å; L53-L253 HydrophobicContact CD1-CB 4.07Å; L53-L253 HydrophobicContact CD2-CB 4.16Å; L53-L253 HydrophobicContact CD2-CD2 4.09Å; L53-L253 HydrophobicContact CG-CB 4.29Å
54	F	98.9	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.8	171.3	-164	-85.2	0	0	0	109.9	R52 V56 W135 V137 V242 R245 L246 A249 A251 V252 L253 V267	R52-F54 PolarHBondContact O-N 3.42Å; F54-V56 HydrophobicContact CD1-CG2 4.02Å; F54-V56 HydrophobicContact CE1-CG2 3.85Å; F54-W135 WeakPolarHBondContact CA-O 3.5Å; F54-W135 HydrophobicContact CD2-CB 4Å; F54-W135 HydrophobicContact CE2-CB 3.97Å; F54-W135 HydrophobicContact CE2-CG 4.45Å; F54-V137 HydrophobicContact CE1-CB 4.28Å; F54-V137 HydrophobicContact CE1-CG2 3.69Å; F54-V137 HydrophobicContact CE2-CG2 4.32Å; F54-V137 HydrophobicContact CZ-CB 4.38Å; F54-V137 HydrophobicContact CZ-CG2 3.34Å; F54-V242 HydrophobicContact CZ-CG1 4.16Å; F54-R245 HydrophobicContact CE2-CB 3.87Å; F54-L246 HydrophobicContact CB-CD1 4.29Å; F54-L246 HydrophobicContact CD1-CD1 4.02Å; F54-L246 HydrophobicContact CD2-CB 4.25Å; F54-L246 HydrophobicContact CD2-CD1 4.12Å; F54-L246 HydrophobicContact CE1-CD1 4.36Å; F54-L246 HydrophobicContact CE2-CB 3.94Å; F54-L246 HydrophobicContact CE2-CD1 4.44Å; F54-L246 HydrophobicContact CG-CD1 3.88Å; F54-L246 HydrophobicContact CZ-CB 4.22Å; F54-A249 HydrophobicContact CB-CB 3.62Å; F54-A249 HydrophobicContact CD2-CB 4.19Å; F54-A249 HydrophobicContact CG-CB 4.36Å; F54-A251 WeakPolarHBondContact CB-O 3.28Å; F54-A251 PolarHBondContact N-O 3.14Å; F54-V252 HydrophobicContact CB-CG2 4.27Å; F54-V252 HydrophobicContact CD1-CG1 4.39Å; F54-V252 CarbonylContact O-C 3.53Å; F54-V252 VanDerWaalsContact O-CA 3.27Å; F54-V252 WeakPolarHBondContact O-CA 3.42Å; F54-L253 PolarHBondContact O-N 3.19Å; F54-V267 HydrophobicContact CD1-CG1 4.48Å; F54-V267 HydrophobicContact CE1-CG1 3.81Å; F54-V267 HydrophobicContact CZ-CG1 4.46Å
55	V	98.9	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.1	-175.8	-179.1	0	0	0	0	110.2	L53 T57 L124 L133 W135 L136 V137 L253 I255	L53-V55 HydrophobicContact CD2-CG2 4.17Å; L53-V55 HydrophobicContact CG-CG2 4.18Å; V55-T57 HydrophobicContact CG1-CG2 3.72Å; V55-L124 HydrophobicContact CG1-CD1 4.41Å; V55-L124 HydrophobicContact CG1-CD2 4.21Å; V55-L124 HydrophobicContact CG2-CD2 4.39Å; V55-L133 HydrophobicContact CB-CD1 4.29Å; V55-L133 HydrophobicContact CG2-CD1 3.79Å; V55-L133 HydrophobicContact CG2-CG 4.04Å; V55-W135 PolarHBondContact N-O 3.3Å; V55-L136 HydrophobicContact CB-CB 4.39Å; V55-L136 HydrophobicContact CB-CD1 4.4Å; V55-L136 HydrophobicContact CB-CG 4.27Å; V55-L136 HydrophobicContact CG1-CD1 4.14Å; V55-L136 HydrophobicContact CG1-CG 4.3Å; V55-L136 CarbonylContact O-C 3.47Å; V55-L136 WeakPolarHBondContact O-CA 3.36Å; V55-V137 PolarHBondContact O-N 3.15Å; V55-L253 CarbonylContact C-O 3.01Å; V55-L253 WeakPolarHBondContact CA-O 3.42Å; V55-I255 HydrophobicContact CG1-CD1 3.7Å; V55-I255 HydrophobicContact CG1-CG1 4.26Å
56	V	98.9	Very high	97.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.6	171.8	-179.6	0	0	0	0	109	F54 V137 V252 L253 V254 I255 L259 V267	F54-V56 HydrophobicContact CD1-CG2 4.02Å; F54-V56 HydrophobicContact CE1-CG2 3.85Å; V56-V137 CarbonylContact C-O 3.57Å; V56-V137 WeakPolarHBondContact CA-O 3.44Å; V56-V252 HydrophobicContact CG2-CG1 4.16Å; V56-L253 PolarHBondContact N-O 3.07Å; V56-V254 HydrophobicContact CB-CG2 4.45Å; V56-V254 CarbonylContact O-C 3.47Å; V56-V254 VanDerWaalsContact O-CA 3.32Å; V56-V254 WeakPolarHBondContact O-CA 3.49Å; V56-I255 PolarHBondContact O-N 2.87Å; V56-L259 HydrophobicContact CG1-CD2 4.4Å; V56-V267 HydrophobicContact CG2-CG1 3.97Å
57	T	98.9	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154.2	-179.7	67.8	0	0	0	0	112.4	V55 L61 L124 L136 V137 T138 Q139 H145 I255	V55-T57 HydrophobicContact CG1-CG2 3.72Å; T57-L61 HydrophobicContact CG2-CD1 3.78Å; T57-L124 HydrophobicContact CG2-CD1 4.14Å; T57-L136 HydrophobicContact CG2-CD1 4.05Å; T57-L136 HydrophobicContact CG2-CD2 4.5Å; T57-L136 HydrophobicContact CG2-CG 4.26Å; T57-V137 PolarHBondContact N-O 3.47Å; T57-T138 WeakPolarHBondContact OG1-CA 3.38Å; T57-T138 VanDerWaalsContact OG1-CB 3.22Å; T57-T138 WeakPolarHBondContact OG1-CB 3.14Å; T57-T138 PolarHBondContact OG1-OG1 3.47Å; T57-T138 VanDerWaalsContact OG1-OG1 3.11Å; T57-Q139 PolarHBondContact O-N 3.32Å; T57-Q139 PolarHBondContact O-NE2 3.42Å; T57-H145 PolarHBondContact OG1-NE2 3.4Å; T57-I255 WeakPolarHBondContact CA-O 3.25Å; T57-I255 HydrophobicContact CG2-CB 4.38Å
58	G	98.3	Very high	96.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	13%	0.13	C	C	.	.			trans	-140.6	-173.8	174.9	0	0	0	0	0	112.8	G60 L61 N140 I255 G256	G58-G60 PolarHBondContact O-N 2.83Å; G58-G60 VanDerWaalsContact O-N 3.12Å; G58-L61 WeakPolarHBondContact O-CB 3.5Å; G58-L61 PolarHBondContact O-N 3.26Å; G58-N140 VanDerWaalsContact CA-OD1 3.27Å; G58-N140 WeakPolarHBondContact CA-OD1 3.22Å; G58-N140 PolarHBondContact O-ND2 3.31Å; G58-N140 PolarHBondContact O-OD1 3.12Å; G58-I255 PolarHBondContact N-O 3.06Å; G58-I255 VanDerWaalsContact N-O 3.1Å; G58-G256 CarbonylContact C-O 3.59Å; G58-G256 VanDerWaalsContact CA-O 3.29Å; G58-G256 WeakPolarHBondContact CA-O 3.5Å
59	A	96.4	Very high	96.2	Very high	18 Å²	18	26.7 Å²	26.7	15%	0.149	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-62.3	-26.1	-168.3	0	0	0	0	0	113.4	L61 S62 T63 D69 Y70 N140 G256	A59-L61 PolarHBondContact O-N 3.03Å; A59-S62 PolarHBondContact O-N 3.16Å; A59-T63 PolarHBondContact O-N 2.91Å; A59-D69 HydrophobicContact CB-CB 3.73Å; A59-Y70 HydrophobicContact CB-CD2 4.21Å; A59-Y70 HydrophobicContact CB-CE2 4.41Å; A59-N140 VanDerWaalsContact CA-OD1 3.26Å; A59-N140 WeakPolarHBondContact CA-OD1 3.4Å; A59-N140 PolarHBondContact N-OD1 2.87Å; A59-G256 PolarHBondContact N-O 3.24Å
60	G	97.1	Very high	95.7	Very high	14 Å²	14	21.6 Å²	21.6	14%	0.144	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-57.4	-31.9	175.4	0	0	0	0	0	113	G58 S62 T63 G256	G58-G60 PolarHBondContact O-N 2.83Å; G58-G60 VanDerWaalsContact O-N 3.12Å; G60-S62 VanDerWaalsContact C-N 3.27Å; G60-S62 PolarHBondContact O-N 3.36Å; G60-T63 PolarHBondContact O-N 3.34Å; G60-T63 PolarHBondContact O-OG1 3.48Å; G60-G256 VanDerWaalsContact CA-O 3.3Å; G60-G256 WeakPolarHBondContact CA-O 3.34Å; G60-G256 PolarHBondContact N-O 2.88Å
61	L	97.7	Very high	95.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-67	-28.2	177.1	-176.7	148.3	0	0	0	112.3	T57 G58 A59 N118 A120 H121 L124 I255	T57-L61 HydrophobicContact CG2-CD1 3.78Å; G58-L61 WeakPolarHBondContact O-CB 3.5Å; G58-L61 PolarHBondContact O-N 3.26Å; A59-L61 PolarHBondContact O-N 3.03Å; L61-N118 PolarHBondContact O-ND2 3.19Å; L61-A120 HydrophobicContact CD1-CB 4.34Å; L61-A120 HydrophobicContact CG-CB 4.15Å; L61-H121 VanDerWaalsContact CD2-CD2 3.48Å; L61-H121 WeakPolarHBondContact CD2-CD2 3.48Å; L61-H121 WeakPolarHBondContact CD2-CE1 3.32Å; L61-H121 WeakPolarHBondContact CD2-NE2 3.43Å; L61-L124 HydrophobicContact CD1-CD1 3.82Å; L61-I255 HydrophobicContact CD1-CB 4.15Å; L61-I255 HydrophobicContact CD1-CG2 3.74Å
62	S	97.7	Very high	94.6	Very high	1 Å²	1	17 Å²	17	1%	0.007	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-92	-5.1	-178.8	-58.6	0	0	0	0	113.8	A59 G60 E64 S65 I67 N140 D142	A59-S62 PolarHBondContact O-N 3.16Å; G60-S62 VanDerWaalsContact C-N 3.27Å; G60-S62 PolarHBondContact O-N 3.36Å; S62-E64 VanDerWaalsContact C-N 3.29Å; S62-E64 PolarHBondContact O-N 3.42Å; S62-S65 WeakPolarHBondContact O-CA 3.45Å; S62-S65 VanDerWaalsContact O-CB 3.28Å; S62-S65 WeakPolarHBondContact O-CB 3.47Å; S62-S65 PolarHBondContact O-N 3.07Å; S62-I67 PolarHBondContact O-N 3.48Å; S62-N140 PolarHBondContact OG-ND2 2.88Å; S62-N140 VanDerWaalsContact OG-ND2 3.14Å; S62-D142 VanDerWaalsContact CB-OD2 3.32Å; S62-D142 WeakPolarHBondContact CB-OD2 3.27Å; S62-D142 PolarHBondContact OG-OD2 3.05Å
63	T	96.1	Very high	93.9	Very high	3 Å²	3	20 Å²	20	2%	0.018	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58.7	-39.8	177.6	58.2	0	0	0	0	112.7	F28 A59 G60 S65 G66 I67 D69	F28-T63 HydrophobicContact CB-CG2 4.48Å; F28-T63 WeakPolarHBondContact O-CG2 3.23Å; A59-T63 PolarHBondContact O-N 2.91Å; G60-T63 PolarHBondContact O-N 3.34Å; G60-T63 PolarHBondContact O-OG1 3.48Å; T63-S65 PolarHBondContact O-N 3.04Å; T63-G66 PolarHBondContact O-N 2.8Å; T63-I67 VanDerWaalsContact CA-O 3.25Å; T63-I67 WeakPolarHBondContact CA-O 3.5Å; T63-D69 HydrophobicContact CG2-CB 3.98Å
64	E	95.6	Very high	93.1	Very high	5 Å²	5	22.7 Å²	22.7	2%	0.023	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-72.7	-7.9	176.6	-58.2	-175.8	-106.5	0	0	113.3	V29 S62 N118 R299 C300 G301	V29-E64 HydrophobicContact CG2-CG 3.78Å; S62-E64 VanDerWaalsContact C-N 3.29Å; S62-E64 PolarHBondContact O-N 3.42Å; E64-N118 HydrophobicContact CB-CB 4.3Å; E64-R299 IonicContact OE2-CZ 3.74Å; E64-R299 IonicContact OE2-NE 3.35Å; E64-R299 PolarHBondContact OE2-NE 3.42Å; E64-R299 IonicContact OE2-NH2 3.38Å; E64-R299 PolarHBondContact OE2-NH2 3.37Å; E64-C300 PolarHBondContact OE1-N 2.83Å; E64-G301 PolarHBondContact OE1-N 3.26Å
65	S	95.6	Very high	92.4	Very high	7 Å²	7	24 Å²	24	5%	0.049	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-89.9	-3.8	168.6	-72.2	0	0	0	0	112.9	S62 T63 H115 Q116 N118	S62-S65 WeakPolarHBondContact O-CA 3.45Å; S62-S65 VanDerWaalsContact O-CB 3.28Å; S62-S65 WeakPolarHBondContact O-CB 3.47Å; S62-S65 PolarHBondContact O-N 3.07Å; T63-S65 PolarHBondContact O-N 3.04Å; S65-H115 PolarHBondContact O-CD2 3.11Å; S65-H115 VanDerWaalsContact O-CD2 3.28Å; S65-Q116 VanDerWaalsContact CB-O 3.31Å; S65-Q116 WeakPolarHBondContact CB-O 3.44Å; S65-Q116 PolarHBondContact OG-O 3.28Å; S65-N118 WeakPolarHBondContact OG-CB 3.29Å; S65-N118 PolarHBondContact OG-N 3.18Å; S65-N118 PolarHBondContact OG-ND2 2.97Å; S65-N118 VanDerWaalsContact OG-ND2 3.14Å
66	G	92.1	Very high	91.4	Very high	14 Å²	14	24 Å²	24	14%	0.144	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	14.3	-176.3	0	0	0	0	0	114.2	F28 T63 H115	F28-G66 VanDerWaalsContact CD2-O 3.31Å; F28-G66 WeakPolarHBondContact CD2-O 3.39Å; F28-G66 WeakPolarHBondContact CE2-O 3.31Å; T63-G66 PolarHBondContact O-N 2.8Å; G66-H115 PolarHBondContact O-NE2 3.44Å
67	I	91.3	Very high	90.5	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	14%	0.142	C	C	.	.			trans	-98.5	126.1	173.1	-56	-178.2	0	0	0	108	S62 T63 F112 H115 D142 L144 P197	S62-I67 PolarHBondContact O-N 3.48Å; T63-I67 VanDerWaalsContact CA-O 3.25Å; T63-I67 WeakPolarHBondContact CA-O 3.5Å; I67-F112 HydrophobicContact CD1-CE2 4.41Å; I67-F112 HydrophobicContact CG2-CE2 4.47Å; I67-H115 HydrophobicContact CD1-CB 3.89Å; I67-H115 HydrophobicContact CG1-CB 4.06Å; I67-D142 HydrophobicContact CD1-CB 3.7Å; I67-L144 HydrophobicContact CD1-CD1 3.82Å; I67-L144 HydrophobicContact CD1-CG 4.28Å; I67-P197 HydrophobicContact CG2-CB 4.49Å
68	P	89.6	Confident	89.6	Confident	4 Å²	4	27.9 Å²	27.9	3%	0.026	16%	0.155	C	C	.	.			trans	-64.8	159.5	178.2	27.7	-33.3	0	0	0	111.9	F28 V195 P197	F28-P68 HydrophobicContact CB-CB 4.31Å; F28-P68 HydrophobicContact CD1-CB 3.8Å; F28-P68 HydrophobicContact CD2-CB 4.06Å; F28-P68 HydrophobicContact CE1-CB 4.13Å; F28-P68 HydrophobicContact CE2-CB 4.34Å; F28-P68 HydrophobicContact CE2-CG 4.41Å; F28-P68 HydrophobicContact CG-CB 3.78Å; F28-P68 HydrophobicContact CZ-CB 4.37Å; F28-P68 HydrophobicContact CZ-CG 4.48Å; P68-V195 WeakPolarHBondContact CG-O 3.34Å; P68-P197 HydrophobicContact CG-CG 4.22Å; P68-P197 WeakPolarHBondContact O-CB 3.27Å; P68-P197 WeakPolarHBondContact O-CG 3.45Å
69	D	88.4	Confident	88.4	Confident	14 Å²	14	30.8 Å²	30.8	8%	0.075	18%	0.179	C	C	.	.			trans	-97.8	-178.5	163.2	82.9	18.5	0	0	0	111.6	A59 T63 R71 S72 G76 L77	A59-D69 HydrophobicContact CB-CB 3.73Å; T63-D69 HydrophobicContact CG2-CB 3.98Å; D69-R71 PolarHBondContact OD1-N 3.17Å; D69-S72 VanDerWaalsContact OD1-CB 3.26Å; D69-S72 WeakPolarHBondContact OD1-CB 3.4Å; D69-S72 PolarHBondContact OD1-N 2.89Å; D69-S72 WeakPolarHBondContact OD2-CB 3.45Å; D69-S72 PolarHBondContact OD2-OG 3.1Å; D69-G76 VanDerWaalsContact OD1-CA 3.29Å; D69-G76 WeakPolarHBondContact OD1-CA 3.34Å; D69-L77 PolarHBondContact O-N 2.65Å
70	Y	85.4	Confident	87.4	Confident	45 Å²	45	34.6 Å²	34.6	18%	0.176	19%	0.189	C	C	.	.	S	Bend	trans	-87.5	-34.4	-178.5	-65.5	-86.7	0	0	0	114.2	A59 L77 Y78 P197	A59-Y70 HydrophobicContact CB-CD2 4.21Å; A59-Y70 HydrophobicContact CB-CE2 4.41Å; Y70-L77 HydrophobicContact CD1-CD2 4.27Å; Y70-L77 HydrophobicContact CE1-CD2 4.5Å; Y70-L77 PolarHBondContact O-N 3.18Å; Y70-Y78 HydrophobicContact CD1-CE1 4.36Å; Y70-Y78 AromaticContact CD1-CZ 3.97Å; Y70-Y78 WeakPolarHBondContact O-CB 3.27Å; Y70-Y78 VanDerWaalsContact O-CD2 3.26Å; Y70-Y78 WeakPolarHBondContact O-CD2 2.84Å; Y70-Y78 VanDerWaalsContact O-CG 3.3Å; Y70-Y78 PolarHBondContact O-N 3.23Å; Y70-P197 HydrophobicContact CD1-CG 4.02Å; Y70-P197 HydrophobicContact CD2-CB 4.17Å; Y70-P197 HydrophobicContact CD2-CG 4Å; Y70-P197 HydrophobicContact CE1-CB 4.19Å; Y70-P197 HydrophobicContact CE1-CG 3.84Å; Y70-P197 HydrophobicContact CE2-CB 3.56Å; Y70-P197 HydrophobicContact CE2-CG 3.82Å; Y70-P197 HydrophobicContact CG-CG 4.1Å
71	R	87.3	Confident	86.5	Confident	91 Å²	91	35.7 Å²	35.7	34%	0.343	19%	0.193	S	C	.	.	S	Bend	trans	-133.5	-3.6	-154.4	-70	-179.8	-173.7	80.3	1.7	114.8	D69 E73 Y78	D69-R71 PolarHBondContact OD1-N 3.17Å; R71-E73 PolarHBondContact O-N 3.08Å; R71-Y78 HydrophobicContact CG-CD2 3.83Å; R71-Y78 HydrophobicContact CG-CE2 4.04Å
72	S	86.4	Confident	85.4	Confident	20 Å²	20	42.7 Å²	42.7	14%	0.14	23%	0.231	C	C	.	.			trans	-60	138.5	177.3	-84.1	0	0	0	0	111	P30 D69 G74 V75 G76	P30-S72 WeakPolarHBondContact CG-OG 3.48Å; D69-S72 VanDerWaalsContact OD1-CB 3.26Å; D69-S72 WeakPolarHBondContact OD1-CB 3.4Å; D69-S72 PolarHBondContact OD1-N 2.89Å; D69-S72 WeakPolarHBondContact OD2-CB 3.45Å; D69-S72 PolarHBondContact OD2-OG 3.1Å; S72-G74 PolarHBondContact O-N 3.25Å; S72-V75 PolarHBondContact O-N 2.84Å; S72-G76 VanDerWaalsContact O-CA 3.29Å; S72-G76 WeakPolarHBondContact O-CA 3.18Å; S72-G76 PolarHBondContact O-N 2.63Å
73	E	83.3	Confident	84.2	Confident	179 Å²	179	45.2 Å²	45.2	84%	0.836	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	135.4	177.3	-171.2	175.4	-176.6	0	0	110.4	R71 V75	R71-E73 PolarHBondContact O-N 3.08Å; E73-V75 PolarHBondContact O-N 3.43Å
74	G	82.6	Confident	83.1	Confident	57 Å²	57	53.5 Å²	53.5	59%	0.588	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-30	-178.6	0	0	0	0	0	116.2	S72 R80	S72-G74 PolarHBondContact O-N 3.25Å; G74-R80 WeakPolarHBondContact O-CG 3.37Å
75	V	83.9	Confident	82.3	Confident	28 Å²	28	54.3 Å²	54.3	17%	0.17	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-12.2	-170.3	-57.6	0	0	0	0	115.1	F28 P30 S72 E73 R80	F28-V75 WeakPolarHBondContact O-CG2 3.49Å; P30-V75 HydrophobicContact CB-CG2 3.95Å; S72-V75 PolarHBondContact O-N 2.84Å; E73-V75 PolarHBondContact O-N 3.43Å; V75-R80 VanDerWaalsContact O-CZ 3.27Å; V75-R80 PolarHBondContact O-NE 3.3Å; V75-R80 PolarHBondContact O-NH2 3.1Å
76	G	76.3	Confident	81.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-70.5	154.6	176.5	0	0	0	0	0	112.2	D69 S72 Y78 A79 R80	D69-G76 VanDerWaalsContact OD1-CA 3.29Å; D69-G76 WeakPolarHBondContact OD1-CA 3.34Å; S72-G76 VanDerWaalsContact O-CA 3.29Å; S72-G76 WeakPolarHBondContact O-CA 3.18Å; S72-G76 PolarHBondContact O-N 2.63Å; G76-Y78 VanDerWaalsContact C-N 3.29Å; G76-Y78 PolarHBondContact O-N 2.85Å; G76-A79 PolarHBondContact O-N 3.27Å; G76-R80 PolarHBondContact O-N 2.7Å
77	L	81.1	Confident	81.9	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.068	29%	0.291	C	S	.	.	H	α-helix	trans	-52.7	-44.8	-179.7	-174.3	67.5	0	0	0	112.7	D69 Y70 A79 R80 T81 A196	D69-L77 PolarHBondContact O-N 2.65Å; Y70-L77 HydrophobicContact CD1-CD2 4.27Å; Y70-L77 HydrophobicContact CE1-CD2 4.5Å; Y70-L77 PolarHBondContact O-N 3.18Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 3.49Å; L77-R80 PolarHBondContact O-N 3.11Å; L77-T81 HydrophobicContact CD1-CG2 4.3Å; L77-T81 PolarHBondContact O-N 3.17Å; L77-T81 PolarHBondContact O-OG1 3.17Å; L77-A196 HydrophobicContact CD1-CB 4.26Å; L77-A196 HydrophobicContact CD2-CB 4.18Å
78	Y	80.2	Confident	82	Confident	68 Å²	68	60.2 Å²	60.2	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-75.6	-19.5	-178.8	-55.6	-31.4	0	0	0	113.7	Y70 R71 G76 P85	Y70-Y78 HydrophobicContact CD1-CE1 4.36Å; Y70-Y78 AromaticContact CD1-CZ 3.97Å; Y70-Y78 WeakPolarHBondContact O-CB 3.27Å; Y70-Y78 VanDerWaalsContact O-CD2 3.26Å; Y70-Y78 WeakPolarHBondContact O-CD2 2.84Å; Y70-Y78 VanDerWaalsContact O-CG 3.3Å; Y70-Y78 PolarHBondContact O-N 3.23Å; R71-Y78 HydrophobicContact CG-CD2 3.83Å; R71-Y78 HydrophobicContact CG-CE2 4.04Å; G76-Y78 VanDerWaalsContact C-N 3.29Å; G76-Y78 PolarHBondContact O-N 2.85Å; Y78-P85 HydrophobicContact CE1-CG 4.21Å; Y78-P85 VanDerWaalsContact OH-CG 3.24Å; Y78-P85 WeakPolarHBondContact OH-CG 3.42Å
79	A	73.2	Confident	82.2	Confident	62 Å²	62	63.3 Å²	63.3	51%	0.512	32%	0.319	S	S	.	.	H	α-helix	trans	-82.8	-30.9	174.2	0	0	0	0	0	111.5	G76 L77	G76-A79 PolarHBondContact O-N 3.27Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 3.49Å
80	R	75.6	Confident	82.5	Confident	99 Å²	99	65.5 Å²	65.5	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-95.4	-16.6	-177.1	-67.5	-170.9	-68.6	137.6	-5.7	114.4	F28 G74 V75 G76 L77	F28-R80 VanDerWaalsContact CE1-NH2 3.28Å; G74-R80 WeakPolarHBondContact O-CG 3.37Å; V75-R80 VanDerWaalsContact O-CZ 3.27Å; V75-R80 PolarHBondContact O-NE 3.3Å; V75-R80 PolarHBondContact O-NH2 3.1Å; G76-R80 PolarHBondContact O-N 2.7Å; L77-R80 PolarHBondContact O-N 3.11Å
81	T	76.3	Confident	83	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.221	32%	0.32	C	S	.	.			trans	-150.5	152.9	-171.3	77.6	0	0	0	0	112.4	L77 R83	L77-T81 HydrophobicContact CD1-CG2 4.3Å; L77-T81 PolarHBondContact O-N 3.17Å; L77-T81 PolarHBondContact O-OG1 3.17Å; T81-R83 HydrophobicContact CG2-CG 4.49Å; T81-R83 PolarHBondContact O-N 3.21Å; T81-R83 WeakPolarHBondContact OG1-CB 3.34Å; T81-R83 WeakPolarHBondContact OG1-CG 3.28Å; T81-R83 PolarHBondContact OG1-N 2.88Å
82	D	74.9	Confident	83.3	Confident	148 Å²	148	61.1 Å²	61.1	79%	0.791	32%	0.317	S	S	*	.			trans	-79.9	8.3	168.5	-69.9	-47.6	0	0	0	113.7	R84	D82-R84 PolarHBondContact O-N 3.28Å; D82-R84 PolarHBondContact O-NH1 3.27Å
83	R	73.1	Confident	83.8	Confident	53 Å²	53	70.3 Å²	70.3	20%	0.2	35%	0.348	C	S	.	.			trans	-60.7	132.8	-176.9	-65.1	178.6	-172.5	-178.9	8.5	110.1	T81 A194 F202	T81-R83 HydrophobicContact CG2-CG 4.49Å; T81-R83 PolarHBondContact O-N 3.21Å; T81-R83 WeakPolarHBondContact OG1-CB 3.34Å; T81-R83 WeakPolarHBondContact OG1-CG 3.28Å; T81-R83 PolarHBondContact OG1-N 2.88Å; R83-A194 PolarHBondContact NH1-O 2.8Å; R83-F202 VanDerWaalsContact CZ-CB 3.46Å
84	R	72.1	Confident	84.4	Confident	177 Å²	177	63.6 Å²	63.6	67%	0.668	32%	0.321	S	S	*	.			trans	-107.8	138.7	172.5	-63.5	-64.9	-179	-98.5	-0.9	109.2	D82	D82-R84 PolarHBondContact O-N 3.28Å; D82-R84 PolarHBondContact O-NH1 3.27Å
85	P	79	Confident	85	Confident	23 Å²	23	63.9 Å²	63.9	15%	0.149	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.7	155	174.9	-19.8	31.9	0	0	0	111.7	Y78 Q87 F230	Y78-P85 HydrophobicContact CE1-CG 4.21Å; Y78-P85 VanDerWaalsContact OH-CG 3.24Å; Y78-P85 WeakPolarHBondContact OH-CG 3.42Å; P85-Q87 PolarHBondContact O-N 2.9Å; P85-F230 HydrophobicContact CB-CD2 3.26Å; P85-F230 HydrophobicContact CB-CE2 3.45Å; P85-F230 VanDerWaalsContact CB-CE2 3.45Å; P85-F230 HydrophobicContact CB-CG 4Å; P85-F230 HydrophobicContact CB-CZ 4.3Å; P85-F230 HydrophobicContact CG-CD2 3.66Å; P85-F230 HydrophobicContact CG-CE1 4.34Å; P85-F230 HydrophobicContact CG-CE2 3.41Å; P85-F230 VanDerWaalsContact CG-CE2 3.41Å; P85-F230 HydrophobicContact CG-CG 4.23Å; P85-F230 HydrophobicContact CG-CZ 3.78Å
86	M	88.1	Confident	85.4	Confident	23 Å²	23	67.5 Å²	67.5	11%	0.113	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.9	128.2	171.1	178.7	57.6	53.4	0	0	110.7	E90 F91 Y101 F229	M86-E90 HydrophobicContact SD-CB 4.13Å; M86-E90 HydrophobicContact SD-CG 4.26Å; M86-F91 HydrophobicContact CG-CB 4.06Å; M86-F91 HydrophobicContact CG-CD2 4.23Å; M86-F91 HydrophobicContact SD-CB 3.95Å; M86-F91 HydrophobicContact SD-CD2 4.41Å; M86-Y101 HydrophobicContact CB-CD2 3.96Å; M86-Y101 HydrophobicContact CB-CE2 4.26Å; M86-Y101 HydrophobicContact CE-CD2 4.19Å; M86-Y101 HydrophobicContact CG-CD2 3.97Å; M86-F229 HydrophobicContact CB-CE1 4.42Å; M86-F229 HydrophobicContact CB-CZ 4.5Å; M86-F229 HydrophobicContact CG-CD2 4.16Å; M86-F229 HydrophobicContact CG-CE1 4.45Å; M86-F229 HydrophobicContact CG-CE2 3.93Å; M86-F229 HydrophobicContact CG-CZ 4.08Å
87	Q	92.3	Very high	86.2	Confident	79 Å²	79	68 Å²	68	37%	0.369	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-85.3	140.4	174.2	-64.7	-69.8	106	0	0	110.6	P85 T89 E90 F91 F230	P85-Q87 PolarHBondContact O-N 2.9Å; Q87-T89 VanDerWaalsContact C-N 3.31Å; Q87-T89 PolarHBondContact O-N 2.91Å; Q87-E90 HydrophobicContact CB-CB 4.02Å; Q87-E90 WeakPolarHBondContact O-CB 3.36Å; Q87-E90 PolarHBondContact O-N 3.04Å; Q87-E90 VanDerWaalsContact O-N 3.14Å; Q87-F91 PolarHBondContact O-N 3.34Å; Q87-F230 WeakPolarHBondContact CA-O 3.37Å
88	H	93.9	Very high	86.9	Confident	45 Å²	45	69.4 Å²	69.4	21%	0.208	34%	0.339	C	S	.	.	H	α-helix	trans	-56.2	-44.8	178.7	179.4	84.7	0	0	0	112.8	E90 F91 T92 F229 F230 D232	H88-E90 VanDerWaalsContact C-N 3.33Å; H88-E90 PolarHBondContact O-N 2.85Å; H88-F91 PolarHBondContact O-N 2.93Å; H88-T92 WeakPolarHBondContact O-CG2 3.34Å; H88-T92 PolarHBondContact O-N 3.45Å; H88-T92 PolarHBondContact O-OG1 2.6Å; H88-F229 HydrophobicContact CB-CB 4.05Å; H88-F230 PolarHBondContact N-O 2.81Å; H88-D232 HydrophobicContact CB-CB 3.85Å; H88-D232 IonicContact CE1-OD1 3.96Å; H88-D232 IonicContact CE1-OD2 2.9Å; H88-D232 PolarHBondContact CE1-OD2 2.94Å; H88-D232 IonicContact CG-OD2 2.75Å; H88-D232 VanDerWaalsContact ND1-CG 3.27Å; H88-D232 IonicContact ND1-OD1 3.9Å; H88-D232 IonicContact ND1-OD2 2.76Å; H88-D232 PolarHBondContact ND1-OD2 2.74Å
89	T	93.9	Very high	87.6	Confident	69 Å²	69	68.2 Å²	68.2	42%	0.423	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-35.2	179.3	51.2	0	0	0	0	112.4	Q87 T92 R93	Q87-T89 VanDerWaalsContact C-N 3.31Å; Q87-T89 PolarHBondContact O-N 2.91Å; T89-T92 WeakPolarHBondContact CA-OG1 3.45Å; T89-T92 PolarHBondContact O-OG1 3.17Å; T89-R93 VanDerWaalsContact O-CB 3.27Å; T89-R93 WeakPolarHBondContact O-CB 3.36Å; T89-R93 VanDerWaalsContact O-CG 3.26Å; T89-R93 WeakPolarHBondContact O-CG 3.47Å; T89-R93 PolarHBondContact O-N 2.79Å; T89-R93 VanDerWaalsContact O-N 3.15Å
90	E	93.8	Very high	88.5	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-49.1	176.3	-170.4	-166.9	156.2	0	0	110.5	M86 Q87 H88 T92 R93 S94 S97 R100	M86-E90 HydrophobicContact SD-CB 4.13Å; M86-E90 HydrophobicContact SD-CG 4.26Å; Q87-E90 HydrophobicContact CB-CB 4.02Å; Q87-E90 WeakPolarHBondContact O-CB 3.36Å; Q87-E90 PolarHBondContact O-N 3.04Å; Q87-E90 VanDerWaalsContact O-N 3.14Å; H88-E90 VanDerWaalsContact C-N 3.33Å; H88-E90 PolarHBondContact O-N 2.85Å; E90-T92 PolarHBondContact O-N 2.88Å; E90-R93 PolarHBondContact O-N 3.23Å; E90-S94 WeakPolarHBondContact O-CB 3.42Å; E90-S94 PolarHBondContact O-N 3.32Å; E90-S94 VanDerWaalsContact O-N 3.1Å; E90-S97 VanDerWaalsContact CG-OG 3.32Å; E90-S97 WeakPolarHBondContact CG-OG 3.28Å; E90-S97 WeakPolarHBondContact OE1-CB 3.38Å; E90-S97 PolarHBondContact OE1-OG 3.1Å; E90-R100 IonicContact OE1-CZ 2.68Å; E90-R100 IonicContact OE1-NH2 3.41Å; E90-R100 PolarHBondContact OE1-NH2 3.28Å
91	F	95.9	Very high	89.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.8	-45.5	179.4	-172.2	-86.1	0	0	0	112.3	M86 Q87 H88 R98 Y101 W102 I222 L223 K224 F229	M86-F91 HydrophobicContact CG-CB 4.06Å; M86-F91 HydrophobicContact CG-CD2 4.23Å; M86-F91 HydrophobicContact SD-CB 3.95Å; M86-F91 HydrophobicContact SD-CD2 4.41Å; Q87-F91 PolarHBondContact O-N 3.34Å; H88-F91 PolarHBondContact O-N 2.93Å; F91-R98 HydrophobicContact CD1-CG 3.95Å; F91-R98 HydrophobicContact CD2-CG 3.89Å; F91-R98 HydrophobicContact CE1-CG 3.84Å; F91-R98 HydrophobicContact CE2-CB 4.17Å; F91-R98 HydrophobicContact CE2-CG 3.79Å; F91-R98 HydrophobicContact CG-CG 3.96Å; F91-R98 HydrophobicContact CZ-CB 4.33Å; F91-R98 HydrophobicContact CZ-CG 3.77Å; F91-R98 VanDerWaalsContact O-CD 3.27Å; F91-R98 WeakPolarHBondContact O-CD 3.49Å; F91-R98 WeakPolarHBondContact O-CG 3.46Å; F91-R98 PolarHBondContact O-NH1 2.94Å; F91-Y101 HydrophobicContact CD2-CD1 4.25Å; F91-Y101 HydrophobicContact CD2-CG 4.09Å; F91-Y101 AromaticContact CE2-CD1 3.6Å; F91-Y101 HydrophobicContact CE2-CD1 3.6Å; F91-Y101 HydrophobicContact CE2-CE1 4.35Å; F91-Y101 AromaticContact CE2-CG 3.87Å; F91-Y101 HydrophobicContact CE2-CG 3.87Å; F91-W102 AromaticContact CZ-NE1 3.67Å; F91-I222 HydrophobicContact CE1-CG2 4.19Å; F91-L223 WeakPolarHBondContact CZ-O 3.35Å; F91-K224 HydrophobicContact CD1-CB 4.47Å; F91-K224 HydrophobicContact CD1-CD 4.13Å; F91-K224 HydrophobicContact CD1-CG 3.94Å; F91-K224 HydrophobicContact CE1-CB 3.68Å; F91-K224 HydrophobicContact CE1-CD 4.18Å; F91-K224 HydrophobicContact CE1-CG 3.54Å; F91-K224 HydrophobicContact CZ-CB 4.11Å; F91-K224 HydrophobicContact CZ-CG 3.96Å; F91-F229 HydrophobicContact CB-CD2 4.16Å; F91-F229 HydrophobicContact CB-CE2 3.87Å; F91-F229 HydrophobicContact CD1-CE2 4.16Å; F91-F229 AromaticContact CD2-CE2 3.68Å; F91-F229 HydrophobicContact CD2-CE2 3.68Å; F91-F229 HydrophobicContact CD2-CZ 4.19Å; F91-F229 HydrophobicContact CE2-CE2 4.25Å; F91-F229 HydrophobicContact CE2-CZ 4.49Å; F91-F229 HydrophobicContact CG-CD2 4.35Å; F91-F229 AromaticContact CG-CE2 3.63Å; F91-F229 HydrophobicContact CG-CE2 3.63Å
92	T	94.5	Very high	90.3	Very high	44 Å²	44	61.8 Å²	61.8	27%	0.27	30%	0.295	S	S	.	.	H	α-helix	trans	-69.3	-37.3	-176.7	48.4	0	0	0	0	112.3	H88 T89 E90 R98 L166	H88-T92 WeakPolarHBondContact O-CG2 3.34Å; H88-T92 PolarHBondContact O-N 3.45Å; H88-T92 PolarHBondContact O-OG1 2.6Å; T89-T92 WeakPolarHBondContact CA-OG1 3.45Å; T89-T92 PolarHBondContact O-OG1 3.17Å; E90-T92 PolarHBondContact O-N 2.88Å; T92-R98 PolarHBondContact O-NH1 2.92Å; T92-L166 HydrophobicContact CG2-CD1 4.18Å
93	R	95.3	Very high	91.2	Very high	213 Å²	213	54.7 Å²	54.7	80%	0.804	26%	0.257	S	S	*	.	H	α-helix	trans	-88.5	-23.4	-173.7	-65.8	178.4	175.7	-174	-2	115.1	T89 E90	T89-R93 VanDerWaalsContact O-CB 3.27Å; T89-R93 WeakPolarHBondContact O-CB 3.36Å; T89-R93 VanDerWaalsContact O-CG 3.26Å; T89-R93 WeakPolarHBondContact O-CG 3.47Å; T89-R93 PolarHBondContact O-N 2.79Å; T89-R93 VanDerWaalsContact O-N 3.15Å; E90-R93 PolarHBondContact O-N 3.23Å
94	S	96.2	Very high	92.1	Very high	37 Å²	37	53.7 Å²	53.7	26%	0.259	25%	0.253	S	S	.	.			trans	-120.6	115.5	-170.5	172.3	0	0	0	0	112.8	E90 K96 S97 R98	E90-S94 WeakPolarHBondContact O-CB 3.42Å; E90-S94 PolarHBondContact O-N 3.32Å; E90-S94 VanDerWaalsContact O-N 3.1Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 3.19Å; S94-K96 PolarHBondContact OG-N 2.71Å; S94-S97 WeakPolarHBondContact CB-OG 3.45Å; S94-S97 PolarHBondContact O-N 3.18Å; S94-S97 PolarHBondContact OG-N 3.3Å; S94-S97 PolarHBondContact OG-OG 3.19Å; S94-S97 VanDerWaalsContact OG-OG 3.08Å; S94-R98 WeakPolarHBondContact O-CG 3.3Å; S94-R98 PolarHBondContact O-N 3.15Å; S94-R98 PolarHBondContact O-NH1 2.81Å
95	A	94.7	Very high	93.1	Very high	64 Å²	64	45.5 Å²	45.5	53%	0.529	22%	0.222	S	C	.	.	H	α-helix	trans	-60.6	-39.2	172.3	0	0	0	0	0	112	S97 R98 Q99	A95-S97 VanDerWaalsContact C-N 3.35Å; A95-S97 PolarHBondContact O-N 2.97Å; A95-R98 PolarHBondContact O-N 3.47Å; A95-Q99 WeakPolarHBondContact O-CB 3.47Å; A95-Q99 PolarHBondContact O-N 3.33Å
96	K	93.1	Very high	93.9	Very high	103 Å²	103	45.7 Å²	45.7	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-42.3	175	-171.5	-175.6	175.3	-166.1	0	111.5	S94 Q99 R100 D205	S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 3.19Å; S94-K96 PolarHBondContact OG-N 2.71Å; K96-Q99 WeakPolarHBondContact O-CB 3.42Å; K96-Q99 PolarHBondContact O-N 2.89Å; K96-R100 WeakPolarHBondContact O-CB 3.36Å; K96-R100 PolarHBondContact O-N 3.3Å; K96-D205 WeakPolarHBondContact CE-OD2 3.4Å; K96-D205 IonicContact NZ-OD2 2.76Å; K96-D205 PolarHBondContact NZ-OD2 3.26Å
97	S	93.1	Very high	94.1	Very high	10 Å²	10	45.7 Å²	45.7	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-36.4	177.9	-62.5	0	0	0	0	112.1	E90 S94 A95 R100 Y101	E90-S97 VanDerWaalsContact CG-OG 3.32Å; E90-S97 WeakPolarHBondContact CG-OG 3.28Å; E90-S97 WeakPolarHBondContact OE1-CB 3.38Å; E90-S97 PolarHBondContact OE1-OG 3.1Å; S94-S97 WeakPolarHBondContact CB-OG 3.45Å; S94-S97 PolarHBondContact O-N 3.18Å; S94-S97 PolarHBondContact OG-N 3.3Å; S94-S97 PolarHBondContact OG-OG 3.19Å; S94-S97 VanDerWaalsContact OG-OG 3.08Å; A95-S97 VanDerWaalsContact C-N 3.35Å; A95-S97 PolarHBondContact O-N 2.97Å; S97-R100 PolarHBondContact O-N 3.44Å; S97-Y101 WeakPolarHBondContact O-CB 3.38Å; S97-Y101 PolarHBondContact O-N 3.38Å
98	R	95.1	Very high	94	Very high	43 Å²	43	41.9 Å²	41.9	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-42.6	172.3	-66.5	-169.6	-67.5	-86.6	7.3	112.3	F91 T92 S94 A95 Y101 W102 I222	F91-R98 HydrophobicContact CD1-CG 3.95Å; F91-R98 HydrophobicContact CD2-CG 3.89Å; F91-R98 HydrophobicContact CE1-CG 3.84Å; F91-R98 HydrophobicContact CE2-CB 4.17Å; F91-R98 HydrophobicContact CE2-CG 3.79Å; F91-R98 HydrophobicContact CG-CG 3.96Å; F91-R98 HydrophobicContact CZ-CB 4.33Å; F91-R98 HydrophobicContact CZ-CG 3.77Å; F91-R98 VanDerWaalsContact O-CD 3.27Å; F91-R98 WeakPolarHBondContact O-CD 3.49Å; F91-R98 WeakPolarHBondContact O-CG 3.46Å; F91-R98 PolarHBondContact O-NH1 2.94Å; T92-R98 PolarHBondContact O-NH1 2.92Å; S94-R98 WeakPolarHBondContact O-CG 3.3Å; S94-R98 PolarHBondContact O-N 3.15Å; S94-R98 PolarHBondContact O-NH1 2.81Å; A95-R98 PolarHBondContact O-N 3.47Å; R98-Y101 PolarHBondContact O-N 2.85Å; R98-W102 WeakPolarHBondContact O-CB 3.31Å; R98-W102 VanDerWaalsContact O-CD1 3.3Å; R98-W102 PolarHBondContact O-N 3.24Å; R98-I222 VanDerWaalsContact CD-CG2 3.45Å
99	Q	94.9	Very high	94.1	Very high	43 Å²	43	40.3 Å²	40.3	20%	0.201	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-52	175.2	-178.3	-174.5	42.3	0	0	110.5	A95 K96 Y101 W102 A103 V208 L209 F211 V213	A95-Q99 WeakPolarHBondContact O-CB 3.47Å; A95-Q99 PolarHBondContact O-N 3.33Å; K96-Q99 WeakPolarHBondContact O-CB 3.42Å; K96-Q99 PolarHBondContact O-N 2.89Å; Q99-Y101 PolarHBondContact O-N 2.85Å; Q99-W102 PolarHBondContact O-N 2.86Å; Q99-A103 WeakPolarHBondContact O-CB 3.41Å; Q99-A103 PolarHBondContact O-N 3.02Å; Q99-V208 PolarHBondContact NE2-O 3.18Å; Q99-L209 PolarHBondContact NE2-O 2.89Å; Q99-F211 HydrophobicContact CG-CB 4.25Å; Q99-F211 VanDerWaalsContact CG-O 3.27Å; Q99-F211 WeakPolarHBondContact CG-O 3.26Å; Q99-F211 PolarHBondContact NE2-O 3.32Å; Q99-V213 HydrophobicContact CB-CG2 4.41Å
100	R	92.4	Very high	94	Very high	54 Å²	54	40.6 Å²	40.6	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-47.6	176.6	-179.1	170.4	62.9	-153.3	1.1	112.4	E90 K96 S97 W102 R104 D205 V208	E90-R100 IonicContact OE1-CZ 2.68Å; E90-R100 IonicContact OE1-NH2 3.41Å; E90-R100 PolarHBondContact OE1-NH2 3.28Å; K96-R100 WeakPolarHBondContact O-CB 3.36Å; K96-R100 PolarHBondContact O-N 3.3Å; S97-R100 PolarHBondContact O-N 3.44Å; R100-W102 PolarHBondContact O-N 2.89Å; R100-R104 WeakPolarHBondContact O-CB 3.43Å; R100-R104 WeakPolarHBondContact O-CD 3.44Å; R100-R104 VanDerWaalsContact O-CG 3.26Å; R100-R104 WeakPolarHBondContact O-CG 3.14Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.14Å; R100-D205 VanDerWaalsContact CD-OD1 3.27Å; R100-D205 WeakPolarHBondContact CD-OD1 3.24Å; R100-D205 IonicContact CZ-OD1 2.83Å; R100-D205 IonicContact NH1-OD1 3.26Å; R100-D205 PolarHBondContact NH1-OD1 2.85Å; R100-D205 IonicContact NH1-OD2 2.79Å; R100-V208 HydrophobicContact CB-CG2 4.15Å; R100-V208 HydrophobicContact CG-CG2 4.31Å
101	Y	93.8	Very high	93.9	Very high	8 Å²	8	42.1 Å²	42.1	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-52	177.6	178.8	-92.8	0	0	0	111.5	M86 F91 S97 R98 Q99 R104 N105 P225 F229	M86-Y101 HydrophobicContact CB-CD2 3.96Å; M86-Y101 HydrophobicContact CB-CE2 4.26Å; M86-Y101 HydrophobicContact CE-CD2 4.19Å; M86-Y101 HydrophobicContact CG-CD2 3.97Å; F91-Y101 HydrophobicContact CD2-CD1 4.25Å; F91-Y101 HydrophobicContact CD2-CG 4.09Å; F91-Y101 AromaticContact CE2-CD1 3.6Å; F91-Y101 HydrophobicContact CE2-CD1 3.6Å; F91-Y101 HydrophobicContact CE2-CE1 4.35Å; F91-Y101 AromaticContact CE2-CG 3.87Å; F91-Y101 HydrophobicContact CE2-CG 3.87Å; S97-Y101 WeakPolarHBondContact O-CB 3.38Å; S97-Y101 PolarHBondContact O-N 3.38Å; R98-Y101 PolarHBondContact O-N 2.85Å; Q99-Y101 PolarHBondContact O-N 2.85Å; Y101-R104 PolarHBondContact O-N 2.84Å; Y101-N105 HydrophobicContact CE1-CB 4.19Å; Y101-N105 VanDerWaalsContact O-CB 3.3Å; Y101-N105 WeakPolarHBondContact O-CB 3.27Å; Y101-N105 PolarHBondContact O-N 2.79Å; Y101-P225 HydrophobicContact CE1-CG 3.67Å; Y101-P225 WeakPolarHBondContact OH-CG 3.29Å; Y101-F229 HydrophobicContact CD2-CZ 4.26Å; Y101-F229 HydrophobicContact CE1-CZ 4.18Å; Y101-F229 AromaticContact CE2-CE1 3.88Å; Y101-F229 HydrophobicContact CE2-CE1 3.88Å; Y101-F229 AromaticContact CE2-CZ 3.75Å; Y101-F229 HydrophobicContact CE2-CZ 3.75Å; Y101-F229 AromaticContact CZ-CE1 3.97Å; Y101-F229 AromaticContact CZ-CZ 3.72Å
102	W	95.9	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-71.7	-33.1	-175	-79.8	124.5	0	0	0	113	F91 R98 Q99 R100 N105 F106 V163 L177 F181 F211 V213 L223 P225	F91-W102 AromaticContact CZ-NE1 3.67Å; R98-W102 WeakPolarHBondContact O-CB 3.31Å; R98-W102 VanDerWaalsContact O-CD1 3.3Å; R98-W102 PolarHBondContact O-N 3.24Å; Q99-W102 PolarHBondContact O-N 2.86Å; R100-W102 PolarHBondContact O-N 2.89Å; W102-N105 HydrophobicContact CE3-CB 4.15Å; W102-N105 PolarHBondContact O-N 3Å; W102-F106 WeakPolarHBondContact O-CB 3.34Å; W102-F106 PolarHBondContact O-N 3.45Å; W102-V163 HydrophobicContact CH2-CG1 4.4Å; W102-V163 HydrophobicContact CH2-CG2 4.14Å; W102-V163 HydrophobicContact CZ2-CG1 4.46Å; W102-L177 HydrophobicContact CD2-CD2 4.49Å; W102-L177 HydrophobicContact CE3-CD2 4.13Å; W102-L177 HydrophobicContact CH2-CD2 3.52Å; W102-L177 HydrophobicContact CZ2-CD2 3.88Å; W102-L177 HydrophobicContact CZ3-CD2 3.67Å; W102-F181 HydrophobicContact CB-CE1 4.07Å; W102-F181 HydrophobicContact CB-CZ 3.7Å; W102-F181 HydrophobicContact CD2-CE2 4.33Å; W102-F181 AromaticContact CD2-CZ 3.72Å; W102-F181 HydrophobicContact CD2-CZ 3.72Å; W102-F181 AromaticContact CE3-CE2 3.81Å; W102-F181 HydrophobicContact CE3-CE2 3.81Å; W102-F181 AromaticContact CE3-CZ 3.68Å; W102-F181 HydrophobicContact CE3-CZ 3.68Å; W102-F181 HydrophobicContact CG-CE1 4.44Å; W102-F181 AromaticContact CG-CZ 3.78Å; W102-F181 HydrophobicContact CG-CZ 3.78Å; W102-F181 HydrophobicContact CZ3-CE2 4.37Å; W102-F211 HydrophobicContact CB-CE1 3.95Å; W102-V213 HydrophobicContact CB-CG1 4.46Å; W102-V213 HydrophobicContact CB-CG2 3.94Å; W102-V213 VanDerWaalsContact CD1-CG1 3.47Å; W102-V213 HydrophobicContact CG-CG1 4.09Å; W102-V213 HydrophobicContact CG-CG2 4.36Å; W102-L223 HydrophobicContact CZ2-CB 4.46Å; W102-L223 PolarHBondContact NE1-O 3.27Å; W102-P225 HydrophobicContact CH2-CB 4.19Å; W102-P225 HydrophobicContact CH2-CG 4.45Å
103	A	94.2	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-46.9	173.4	0	0	0	0	0	111.1	Q99 F106 V107 W188 L203 V208 F211	Q99-A103 WeakPolarHBondContact O-CB 3.41Å; Q99-A103 PolarHBondContact O-N 3.02Å; A103-F106 WeakPolarHBondContact O-CB 3.39Å; A103-F106 PolarHBondContact O-N 2.87Å; A103-V107 WeakPolarHBondContact O-CG2 3.27Å; A103-V107 PolarHBondContact O-N 3.43Å; A103-W188 HydrophobicContact CB-CH2 4.33Å; A103-W188 HydrophobicContact CB-CZ2 4.14Å; A103-L203 HydrophobicContact CB-CD1 4.4Å; A103-V208 HydrophobicContact CB-CB 3.96Å; A103-V208 HydrophobicContact CB-CG1 3.61Å; A103-F211 HydrophobicContact CB-CB 3.85Å; A103-F211 HydrophobicContact CB-CD1 3.66Å; A103-F211 HydrophobicContact CB-CD2 3.97Å; A103-F211 HydrophobicContact CB-CE1 4.16Å; A103-F211 HydrophobicContact CB-CE2 4.43Å; A103-F211 HydrophobicContact CB-CG 3.54Å
104	R	92.1	Very high	93.9	Very high	32 Å²	32	34.7 Å²	34.7	12%	0.121	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-48.9	176.3	-67.9	164.4	66.8	138.7	4.1	111	R100 Y101 F106 V107 G108 D200 V201 L203	R100-R104 WeakPolarHBondContact O-CB 3.43Å; R100-R104 WeakPolarHBondContact O-CD 3.44Å; R100-R104 VanDerWaalsContact O-CG 3.26Å; R100-R104 WeakPolarHBondContact O-CG 3.14Å; R100-R104 PolarHBondContact O-N 3.45Å; R100-R104 VanDerWaalsContact O-N 3.14Å; Y101-R104 PolarHBondContact O-N 2.84Å; R104-F106 VanDerWaalsContact C-N 3.29Å; R104-F106 PolarHBondContact O-N 2.86Å; R104-V107 PolarHBondContact O-N 3.37Å; R104-G108 PolarHBondContact O-N 3.41Å; R104-D200 WeakPolarHBondContact CB-OD1 3.15Å; R104-D200 IonicContact CZ-OD1 2.77Å; R104-D200 IonicContact CZ-OD2 3.15Å; R104-D200 IonicContact NE-OD1 3.49Å; R104-D200 PolarHBondContact NE-OD1 3.41Å; R104-D200 IonicContact NE-OD2 2.78Å; R104-D200 PolarHBondContact NE-OD2 2.78Å; R104-D200 IonicContact NH2-OD1 3.32Å; R104-D200 IonicContact NH2-OD2 2.85Å; R104-D200 PolarHBondContact NH2-OD2 3.33Å; R104-V201 HydrophobicContact CB-CG2 4.32Å; R104-V201 VanDerWaalsContact CB-O 3.25Å; R104-V201 WeakPolarHBondContact CB-O 3.48Å; R104-V201 WeakPolarHBondContact CD-O 3.33Å; R104-V201 WeakPolarHBondContact CG-O 3.4Å; R104-V201 VanDerWaalsContact CZ-O 3.3Å; R104-V201 PolarHBondContact NE-O 2.8Å; R104-V201 PolarHBondContact NH2-O 2.89Å; R104-V201 VanDerWaalsContact O-CG2 3.29Å; R104-V201 WeakPolarHBondContact O-CG2 3.06Å; R104-L203 HydrophobicContact CG-CB 3.94Å; R104-L203 HydrophobicContact CG-CD1 3.93Å; R104-L203 HydrophobicContact CG-CG 3.99Å
105	N	93.8	Very high	93.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-36.5	177.4	-175.7	-90.8	0	0	0	112.5	Y101 W102 G108 W109 R174	Y101-N105 HydrophobicContact CE1-CB 4.19Å; Y101-N105 VanDerWaalsContact O-CB 3.3Å; Y101-N105 WeakPolarHBondContact O-CB 3.27Å; Y101-N105 PolarHBondContact O-N 2.79Å; W102-N105 HydrophobicContact CE3-CB 4.15Å; W102-N105 PolarHBondContact O-N 3Å; N105-G108 PolarHBondContact O-N 3Å; N105-W109 WeakPolarHBondContact O-CB 3.35Å; N105-W109 PolarHBondContact O-N 3.18Å; N105-R174 VanDerWaalsContact OD1-CZ 3.22Å; N105-R174 PolarHBondContact OD1-NE 2.89Å; N105-R174 PolarHBondContact OD1-NH2 2.81Å
106	F	94.4	Very high	94	Very high	28 Å²	28	36.5 Å²	36.5	12%	0.123	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-45.1	175.8	166.9	-101.6	0	0	0	112	W102 A103 R104 Q178 F181 V182 W188 F211	W102-F106 WeakPolarHBondContact O-CB 3.34Å; W102-F106 PolarHBondContact O-N 3.45Å; A103-F106 WeakPolarHBondContact O-CB 3.39Å; A103-F106 PolarHBondContact O-N 2.87Å; R104-F106 VanDerWaalsContact C-N 3.29Å; R104-F106 PolarHBondContact O-N 2.86Å; F106-Q178 VanDerWaalsContact CD2-CD 3.48Å; F106-Q178 PolarHBondContact O-NE2 3.3Å; F106-F181 HydrophobicContact CB-CD2 4.27Å; F106-F181 HydrophobicContact CD2-CB 3.37Å; F106-F181 AromaticContact CD2-CD2 3.9Å; F106-F181 HydrophobicContact CD2-CD2 3.9Å; F106-F181 AromaticContact CD2-CG 3.88Å; F106-F181 HydrophobicContact CD2-CG 3.88Å; F106-F181 HydrophobicContact CE2-CB 3.59Å; F106-F181 HydrophobicContact CG-CB 4.26Å; F106-F181 HydrophobicContact CG-CG 4.48Å; F106-V182 HydrophobicContact CE2-CG2 3.89Å; F106-V182 HydrophobicContact CZ-CG2 4.16Å; F106-W188 AromaticContact CD1-CE3 3.99Å; F106-W188 HydrophobicContact CD1-CE3 3.99Å; F106-W188 AromaticContact CD1-CZ3 3.67Å; F106-W188 HydrophobicContact CD1-CZ3 3.67Å; F106-W188 AromaticContact CE1-CE3 3.8Å; F106-W188 HydrophobicContact CE1-CE3 3.8Å; F106-W188 AromaticContact CE1-CZ3 3.85Å; F106-W188 HydrophobicContact CE1-CZ3 3.85Å; F106-F211 HydrophobicContact CB-CE2 4.04Å; F106-F211 HydrophobicContact CB-CZ 3.73Å; F106-F211 AromaticContact CD1-CE2 3.75Å; F106-F211 HydrophobicContact CD1-CE2 3.75Å; F106-F211 HydrophobicContact CD1-CZ 4.3Å; F106-F211 HydrophobicContact CE1-CE2 4.39Å; F106-F211 AromaticContact CG-CE2 3.89Å; F106-F211 HydrophobicContact CG-CE2 3.89Å; F106-F211 AromaticContact CG-CZ 3.97Å; F106-F211 HydrophobicContact CG-CZ 3.97Å
107	V	92.1	Very high	94.3	Very high	22 Å²	22	32.1 Å²	32.1	13%	0.133	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-42.5	177.8	173.2	0	0	0	0	111.8	A103 R104 P110 W188 A190 A192 V201 L203	A103-V107 WeakPolarHBondContact O-CG2 3.27Å; A103-V107 PolarHBondContact O-N 3.43Å; R104-V107 PolarHBondContact O-N 3.37Å; V107-P110 WeakPolarHBondContact O-CD 3.32Å; V107-W188 HydrophobicContact CG2-CH2 3.48Å; V107-W188 VanDerWaalsContact CG2-CH2 3.48Å; V107-W188 HydrophobicContact CG2-CZ3 3.37Å; V107-A190 HydrophobicContact CG2-CB 4.18Å; V107-A192 HydrophobicContact CG1-CB 3.39Å; V107-V201 HydrophobicContact CB-CG2 3.76Å; V107-V201 HydrophobicContact CG1-CG2 3.7Å; V107-L203 HydrophobicContact CG2-CD1 4.01Å
108	G	91.8	Very high	94.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-74.6	-23.2	-179.2	0	0	0	0	0	114.4	R104 N105 Q111 F112	R104-G108 PolarHBondContact O-N 3.41Å; N105-G108 PolarHBondContact O-N 3Å; G108-Q111 PolarHBondContact O-N 2.79Å; G108-F112 WeakPolarHBondContact O-CB 3.34Å; G108-F112 PolarHBondContact O-N 3.34Å
109	W	94.3	Very high	94.6	Very high	12 Å²	12	31.5 Å²	31.5	5%	0.045	17%	0.166	C	C	.	.	H	α-helix	trans	-55	-50.6	-171.4	174.1	-102.9	0	0	0	114.4	N105 Q111 F112 S113 A160 H161 R174 E175 Q178	N105-W109 WeakPolarHBondContact O-CB 3.35Å; N105-W109 PolarHBondContact O-N 3.18Å; W109-Q111 VanDerWaalsContact C-N 3.31Å; W109-Q111 PolarHBondContact O-N 3.48Å; W109-F112 HydrophobicContact CE3-CD1 4.43Å; W109-F112 HydrophobicContact CZ3-CD1 4.33Å; W109-F112 PolarHBondContact O-N 3.33Å; W109-F112 VanDerWaalsContact O-N 3.16Å; W109-S113 WeakPolarHBondContact O-CB 3.49Å; W109-S113 PolarHBondContact O-N 2.8Å; W109-S113 PolarHBondContact O-OG 3.02Å; W109-A160 WeakPolarHBondContact CZ3-O 3.43Å; W109-H161 HydrophobicContact CH2-CB 4.26Å; W109-H161 AromaticContact CH2-CE1 3.7Å; W109-H161 AromaticContact CH2-CG 3.7Å; W109-H161 AromaticContact CH2-ND1 3.47Å; W109-H161 WeakPolarHBondContact CH2-ND1 3.44Å; W109-R174 HydrophobicContact CD2-CG 3.84Å; W109-R174 HydrophobicContact CE3-CG 3.55Å; W109-R174 HydrophobicContact CH2-CB 3.67Å; W109-R174 HydrophobicContact CH2-CG 3.52Å; W109-R174 HydrophobicContact CZ2-CB 4.03Å; W109-R174 HydrophobicContact CZ2-CG 3.81Å; W109-R174 HydrophobicContact CZ3-CB 3.97Å; W109-R174 HydrophobicContact CZ3-CG 3.38Å; W109-E175 HydrophobicContact CZ2-CB 4.43Å; W109-Q178 VanDerWaalsContact CD1-CD 3.47Å
110	P	93.4	Very high	94.7	Very high	74 Å²	74	29.5 Å²	29.5	48%	0.481	16%	0.156	S	C	.	.	H	α-helix	trans	-56.8	-43.7	-177	-25.6	35.4	0	0	0	112.9	V107 S113 S114	V107-P110 WeakPolarHBondContact O-CD 3.32Å; P110-S113 PolarHBondContact O-OG 3.05Å; P110-S114 WeakPolarHBondContact O-CB 3.43Å; P110-S114 PolarHBondContact O-N 2.9Å
111	Q	91.5	Very high	95	Very high	94 Å²	94	26.9 Å²	26.9	44%	0.439	15%	0.147	S	C	.	.	H	α-helix	trans	-68.6	-49.7	175.9	-178.8	177.1	0.6	0	0	110.7	G108 W109 S113 S114 H115 V195	G108-Q111 PolarHBondContact O-N 2.79Å; W109-Q111 VanDerWaalsContact C-N 3.31Å; W109-Q111 PolarHBondContact O-N 3.48Å; Q111-S113 PolarHBondContact O-N 3.37Å; Q111-S114 PolarHBondContact O-N 2.89Å; Q111-S114 PolarHBondContact O-OG 3.15Å; Q111-H115 PolarHBondContact O-CE1 3.09Å; Q111-H115 VanDerWaalsContact O-CE1 3.29Å; Q111-H115 PolarHBondContact O-ND1 2.88Å; Q111-H115 VanDerWaalsContact O-ND1 3.12Å; Q111-V195 HydrophobicContact CB-CG2 4.13Å; Q111-V195 HydrophobicContact CG-CG2 4.1Å
112	F	93.1	Very high	95.3	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-49.3	-177.9	-175.4	-101.4	0	0	0	112.4	I67 G108 W109 S114 H115 D142 A160 V195 P197	I67-F112 HydrophobicContact CD1-CE2 4.41Å; I67-F112 HydrophobicContact CG2-CE2 4.47Å; G108-F112 WeakPolarHBondContact O-CB 3.34Å; G108-F112 PolarHBondContact O-N 3.34Å; W109-F112 HydrophobicContact CE3-CD1 4.43Å; W109-F112 HydrophobicContact CZ3-CD1 4.33Å; W109-F112 PolarHBondContact O-N 3.33Å; W109-F112 VanDerWaalsContact O-N 3.16Å; F112-S114 PolarHBondContact O-N 2.7Å; F112-H115 WeakPolarHBondContact CA-ND1 3.48Å; F112-H115 PolarHBondContact O-N 3.05Å; F112-H115 PolarHBondContact O-ND1 3Å; F112-D142 HydrophobicContact CE2-CB 4.4Å; F112-D142 HydrophobicContact CZ-CB 3.9Å; F112-A160 HydrophobicContact CE1-CB 3.77Å; F112-A160 HydrophobicContact CZ-CB 4.33Å; F112-V195 HydrophobicContact CB-CG1 4.25Å; F112-V195 HydrophobicContact CD2-CG1 4.24Å; F112-P197 WeakPolarHBondContact CE2-O 3Å
113	S	95.4	Very high	95.4	Very high	31 Å²	31	33.9 Å²	33.9	22%	0.217	18%	0.176	C	C	.	.	H	α-helix	trans	-66.8	-24.6	-178.5	64.4	0	0	0	0	113.2	W109 P110 Q111 H115 K147	W109-S113 WeakPolarHBondContact O-CB 3.49Å; W109-S113 PolarHBondContact O-N 2.8Å; W109-S113 PolarHBondContact O-OG 3.02Å; P110-S113 PolarHBondContact O-OG 3.05Å; Q111-S113 PolarHBondContact O-N 3.37Å; S113-H115 VanDerWaalsContact C-N 3.32Å; S113-H115 PolarHBondContact O-N 2.94Å; S113-K147 PolarHBondContact O-NZ 3.36Å
114	S	95.7	Very high	95.6	Very high	69 Å²	69	33.9 Å²	33.9	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-72.7	-20.6	-178.3	77	0	0	0	0	114.2	P110 Q111 F112 Q116	P110-S114 WeakPolarHBondContact O-CB 3.43Å; P110-S114 PolarHBondContact O-N 2.9Å; Q111-S114 PolarHBondContact O-N 2.89Å; Q111-S114 PolarHBondContact O-OG 3.15Å; F112-S114 PolarHBondContact O-N 2.7Å; S114-Q116 PolarHBondContact O-NE2 2.64Å; S114-Q116 VanDerWaalsContact O-NE2 3.09Å
115	H	96.3	Very high	95.9	Very high	22 Å²	22	35.1 Å²	35.1	10%	0.102	18%	0.181	C	C	.	.			trans	-58.5	141.7	-177.2	-66.6	98.3	0	0	0	111.5	S65 G66 I67 Q111 F112 S113 L144 K147	S65-H115 PolarHBondContact O-CD2 3.11Å; S65-H115 VanDerWaalsContact O-CD2 3.28Å; G66-H115 PolarHBondContact O-NE2 3.44Å; I67-H115 HydrophobicContact CD1-CB 3.89Å; I67-H115 HydrophobicContact CG1-CB 4.06Å; Q111-H115 PolarHBondContact O-CE1 3.09Å; Q111-H115 VanDerWaalsContact O-CE1 3.29Å; Q111-H115 PolarHBondContact O-ND1 2.88Å; Q111-H115 VanDerWaalsContact O-ND1 3.12Å; F112-H115 WeakPolarHBondContact CA-ND1 3.48Å; F112-H115 PolarHBondContact O-N 3.05Å; F112-H115 PolarHBondContact O-ND1 3Å; S113-H115 VanDerWaalsContact C-N 3.32Å; S113-H115 PolarHBondContact O-N 2.94Å; H115-L144 HydrophobicContact CB-CD2 4.17Å; H115-L144 WeakPolarHBondContact O-CD2 3.33Å; H115-K147 PolarHBondContact O-NZ 3.28Å
116	Q	97.9	Very high	96.1	Very high	116 Å²	116	36.7 Å²	36.7	54%	0.542	19%	0.192	S	C	.	.			trans	-112.2	152.7	-176.7	-64.1	-58	-43.5	0	0	111.1	S65 S114	S65-Q116 VanDerWaalsContact CB-O 3.31Å; S65-Q116 WeakPolarHBondContact CB-O 3.44Å; S65-Q116 PolarHBondContact OG-O 3.28Å; S114-Q116 PolarHBondContact O-NE2 2.64Å; S114-Q116 VanDerWaalsContact O-NE2 3.09Å
117	P	98.4	Very high	96.3	Very high	12 Å²	12	35.6 Å²	35.6	8%	0.078	19%	0.187	C	C	.	.			trans	-57.7	143.1	173.1	-18.2	29.1	0	0	0	111.4	H121 R122 L144 K147 A148	P117-H121 HydrophobicContact CB-CB 3.76Å; P117-R122 PolarHBondContact O-NH1 3.47Å; P117-L144 WeakPolarHBondContact CG-O 3.26Å; P117-K147 HydrophobicContact CG-CB 3.66Å; P117-A148 HydrophobicContact CB-CB 3.88Å; P117-A148 HydrophobicContact CG-CB 3.94Å
118	N	97.8	Very high	96.6	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.053	18%	0.183	C	C	.	.			trans	-93	-174.9	171.3	63.2	41	0	0	0	111.5	L61 E64 S65 A120 H121 R122	L61-N118 PolarHBondContact O-ND2 3.19Å; E64-N118 HydrophobicContact CB-CB 4.3Å; S65-N118 WeakPolarHBondContact OG-CB 3.29Å; S65-N118 PolarHBondContact OG-N 3.18Å; S65-N118 PolarHBondContact OG-ND2 2.97Å; S65-N118 VanDerWaalsContact OG-ND2 3.14Å; N118-A120 VanDerWaalsContact C-N 3.32Å; N118-A120 PolarHBondContact O-N 2.9Å; N118-A120 VanDerWaalsContact OD1-CB 3.26Å; N118-A120 WeakPolarHBondContact OD1-CB 3.29Å; N118-A120 PolarHBondContact OD1-N 3.22Å; N118-H121 VanDerWaalsContact CG-ND1 3.25Å; N118-H121 PolarHBondContact N-ND1 3.27Å; N118-H121 PolarHBondContact ND2-CE1 3.18Å; N118-H121 PolarHBondContact ND2-ND1 2.85Å; N118-H121 PolarHBondContact O-N 3.03Å; N118-H121 PolarHBondContact OD1-N 3.27Å; N118-H121 PolarHBondContact OD1-ND1 2.9Å; N118-R122 PolarHBondContact O-N 2.65Å
119	C	97.1	Very high	96.9	Very high	30 Å²	30	41 Å²	41	20%	0.203	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-32.2	179.8	49.2	0	0	0	0	113.6	H121 R122 A123 G301	C119-H121 PolarHBondContact O-N 2.94Å; C119-R122 PolarHBondContact O-N 2.82Å; C119-A123 WeakPolarHBondContact O-CB 3.35Å; C119-A123 PolarHBondContact O-N 3.46Å; C119-G301 WeakPolarHBondContact SG-CA 3.27Å
120	A	98.3	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-44.2	176.6	0	0	0	0	0	111.8	L61 N118 A123 L124 C300 L304	L61-A120 HydrophobicContact CD1-CB 4.34Å; L61-A120 HydrophobicContact CG-CB 4.15Å; N118-A120 VanDerWaalsContact C-N 3.32Å; N118-A120 PolarHBondContact O-N 2.9Å; N118-A120 VanDerWaalsContact OD1-CB 3.26Å; N118-A120 WeakPolarHBondContact OD1-CB 3.29Å; N118-A120 PolarHBondContact OD1-N 3.22Å; A120-A123 PolarHBondContact O-N 3.42Å; A120-L124 WeakPolarHBondContact O-CG 3.5Å; A120-L124 PolarHBondContact O-N 2.72Å; A120-L124 VanDerWaalsContact O-N 3.1Å; A120-C300 HydrophobicContact CB-CB 4.03Å; A120-L304 HydrophobicContact CB-CD1 3.81Å
121	H	98.8	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-45.7	175.4	-61.3	87.3	0	0	0	111.7	L61 P117 N118 C119 A123 L124 R125 L144 H145 A148	L61-H121 VanDerWaalsContact CD2-CD2 3.48Å; L61-H121 WeakPolarHBondContact CD2-CD2 3.48Å; L61-H121 WeakPolarHBondContact CD2-CE1 3.32Å; L61-H121 WeakPolarHBondContact CD2-NE2 3.43Å; P117-H121 HydrophobicContact CB-CB 3.76Å; N118-H121 VanDerWaalsContact CG-ND1 3.25Å; N118-H121 PolarHBondContact N-ND1 3.27Å; N118-H121 PolarHBondContact ND2-CE1 3.18Å; N118-H121 PolarHBondContact ND2-ND1 2.85Å; N118-H121 PolarHBondContact O-N 3.03Å; N118-H121 PolarHBondContact OD1-N 3.27Å; N118-H121 PolarHBondContact OD1-ND1 2.9Å; C119-H121 PolarHBondContact O-N 2.94Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.33Å; H121-L124 PolarHBondContact O-N 3.33Å; H121-R125 PolarHBondContact O-N 3Å; H121-L144 WeakPolarHBondContact NE2-CB 3.37Å; H121-H145 AromaticContact CD2-CE1 3.7Å; H121-H145 AromaticContact CD2-CG 4Å; H121-H145 AromaticContact CD2-ND1 3.58Å; H121-A148 HydrophobicContact CB-CB 3.87Å
122	R	98.5	Very high	97.5	Very high	140 Å²	140	41.3 Å²	41.3	53%	0.528	22%	0.219	S	C	.	.	H	α-helix	trans	-64.8	-36.2	178.7	-72.7	-172.8	-77.7	-84	-0.6	112.6	P117 N118 C119 R125 S126	P117-R122 PolarHBondContact O-NH1 3.47Å; N118-R122 PolarHBondContact O-N 2.65Å; C119-R122 PolarHBondContact O-N 2.82Å; R122-R125 PolarHBondContact O-N 3.4Å; R122-S126 PolarHBondContact O-N 2.69Å
123	A	98.4	Very high	97.8	Very high	15 Å²	15	41.4 Å²	41.4	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-48.1	174.4	0	0	0	0	0	110.8	C119 A120 H121 R125 S126 W127 L304	C119-A123 WeakPolarHBondContact O-CB 3.35Å; C119-A123 PolarHBondContact O-N 3.46Å; A120-A123 PolarHBondContact O-N 3.42Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.33Å; A123-R125 VanDerWaalsContact C-N 3.29Å; A123-R125 PolarHBondContact O-N 3.06Å; A123-S126 WeakPolarHBondContact O-CB 3.32Å; A123-S126 PolarHBondContact O-N 2.71Å; A123-S126 VanDerWaalsContact O-N 3.08Å; A123-W127 PolarHBondContact O-N 2.71Å; A123-L304 HydrophobicContact CB-CB 3.92Å
124	L	98.6	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-33.3	177.3	-66.5	171.9	0	0	0	112.9	V55 T57 L61 A120 H121 W127 E128 L133 L136 Q150 I255 L304	V55-L124 HydrophobicContact CG1-CD1 4.41Å; V55-L124 HydrophobicContact CG1-CD2 4.21Å; V55-L124 HydrophobicContact CG2-CD2 4.39Å; T57-L124 HydrophobicContact CG2-CD1 4.14Å; L61-L124 HydrophobicContact CD1-CD1 3.82Å; A120-L124 WeakPolarHBondContact O-CG 3.5Å; A120-L124 PolarHBondContact O-N 2.72Å; A120-L124 VanDerWaalsContact O-N 3.1Å; H121-L124 PolarHBondContact O-N 3.33Å; L124-W127 HydrophobicContact CD2-CE3 4.28Å; L124-W127 PolarHBondContact O-N 2.72Å; L124-E128 PolarHBondContact O-N 3.13Å; L124-L133 HydrophobicContact CB-CD1 4.28Å; L124-L133 HydrophobicContact CD2-CD1 4.19Å; L124-L136 HydrophobicContact CB-CD1 4.39Å; L124-L136 HydrophobicContact CD1-CD1 3.9Å; L124-Q150 PolarHBondContact O-NE2 3.33Å; L124-I255 HydrophobicContact CD1-CD1 4.05Å; L124-I255 HydrophobicContact CD2-CD1 3.82Å; L124-I255 HydrophobicContact CG-CD1 4.45Å; L124-L304 HydrophobicContact CD2-CD1 4.49Å; L124-L304 HydrophobicContact CG-CD1 4.3Å
125	R	98.4	Very high	98.1	Very high	58 Å²	58	38.8 Å²	38.8	22%	0.219	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-47.4	170.2	172.7	58.7	-169.4	161.6	3.3	111.5	H121 R122 A123 W127 E128 E129 A148 G149	H121-R125 PolarHBondContact O-N 3Å; R122-R125 PolarHBondContact O-N 3.4Å; A123-R125 VanDerWaalsContact C-N 3.29Å; A123-R125 PolarHBondContact O-N 3.06Å; R125-W127 PolarHBondContact O-N 3.29Å; R125-E128 IonicContact CZ-OE1 2.82Å; R125-E128 IonicContact NH1-OE1 2.75Å; R125-E128 PolarHBondContact NH1-OE1 2.92Å; R125-E128 WeakPolarHBondContact O-CB 3.28Å; R125-E128 PolarHBondContact O-N 3.07Å; R125-E128 VanDerWaalsContact O-N 3.13Å; R125-E129 IonicContact CZ-OE1 3.14Å; R125-E129 IonicContact NE-OE1 3.41Å; R125-E129 PolarHBondContact NE-OE1 3.38Å; R125-E129 VanDerWaalsContact NH2-CG 3.27Å; R125-E129 IonicContact NH2-OE1 3.65Å; R125-E129 PolarHBondContact NH2-OE1 3.36Å; R125-E129 WeakPolarHBondContact O-CG 3.43Å; R125-E129 PolarHBondContact O-N 2.99Å; R125-A148 WeakPolarHBondContact CG-O 3.4Å; R125-G149 WeakPolarHBondContact CD-O 3.3Å; R125-G149 PolarHBondContact NE-O 2.98Å; R125-G149 PolarHBondContact NH1-O 2.8Å
126	S	98.1	Very high	98.2	Very high	37 Å²	37	37.8 Å²	37.8	26%	0.259	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-35	176.6	-174.2	0	0	0	0	112.4	R122 A123 E129 K130	R122-S126 PolarHBondContact O-N 2.69Å; A123-S126 WeakPolarHBondContact O-CB 3.32Å; A123-S126 PolarHBondContact O-N 2.71Å; A123-S126 VanDerWaalsContact O-N 3.08Å; S126-E129 PolarHBondContact O-N 3.08Å; S126-K130 WeakPolarHBondContact O-CB 3.21Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 2.98Å
127	W	98.4	Very high	98.3	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-35	176.4	-68.8	22.4	0	0	0	112.2	V47 L53 A123 L124 R125 G131 K132 L133 L253 L304 I307 P309	V47-W127 HydrophobicContact CG1-CH2 4.04Å; V47-W127 HydrophobicContact CG1-CZ3 4.02Å; V47-W127 HydrophobicContact CG2-CH2 3.75Å; V47-W127 HydrophobicContact CG2-CZ3 3.93Å; L53-W127 HydrophobicContact CD2-CE3 3.99Å; L53-W127 HydrophobicContact CD2-CZ3 3.66Å; A123-W127 PolarHBondContact O-N 2.71Å; L124-W127 HydrophobicContact CD2-CE3 4.28Å; L124-W127 PolarHBondContact O-N 2.72Å; R125-W127 PolarHBondContact O-N 3.29Å; W127-G131 PolarHBondContact O-N 2.83Å; W127-K132 HydrophobicContact CB-CB 4.37Å; W127-K132 WeakPolarHBondContact O-CB 3.5Å; W127-K132 PolarHBondContact O-N 3.01Å; W127-L133 HydrophobicContact CB-CB 4.15Å; W127-L133 PolarHBondContact O-N 3.11Å; W127-L253 HydrophobicContact CH2-CD2 4.27Å; W127-L253 HydrophobicContact CZ3-CD2 3.9Å; W127-L304 HydrophobicContact CH2-CD2 3.89Å; W127-L304 HydrophobicContact CZ2-CD2 4.07Å; W127-I307 HydrophobicContact CH2-CB 4.3Å; W127-I307 HydrophobicContact CH2-CG2 3.69Å; W127-I307 HydrophobicContact CZ2-CB 3.81Å; W127-I307 HydrophobicContact CZ2-CG2 3.48Å; W127-I307 VanDerWaalsContact CZ2-CG2 3.48Å; W127-P309 HydrophobicContact CB-CB 4.08Å; W127-P309 VanDerWaalsContact CD1-CB 3.47Å; W127-P309 VanDerWaalsContact CD1-CG 3.44Å; W127-P309 HydrophobicContact CD2-CB 3.99Å; W127-P309 HydrophobicContact CG-CB 3.58Å; W127-P309 HydrophobicContact CG-CG 4.05Å
128	E	98.4	Very high	98.3	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-44.8	171.7	177.9	178.4	109.2	0	0	111.8	L124 R125 K130 G131 L133 Q150 T151 R152	L124-E128 PolarHBondContact O-N 3.13Å; R125-E128 IonicContact CZ-OE1 2.82Å; R125-E128 IonicContact NH1-OE1 2.75Å; R125-E128 PolarHBondContact NH1-OE1 2.92Å; R125-E128 WeakPolarHBondContact O-CB 3.28Å; R125-E128 PolarHBondContact O-N 3.07Å; R125-E128 VanDerWaalsContact O-N 3.13Å; E128-K130 PolarHBondContact O-N 3.33Å; E128-G131 PolarHBondContact O-N 3.35Å; E128-L133 HydrophobicContact CB-CB 4.27Å; E128-L133 HydrophobicContact CB-CD2 4.34Å; E128-Q150 VanDerWaalsContact CB-NE2 3.26Å; E128-Q150 VanDerWaalsContact CD-NE2 3.3Å; E128-Q150 WeakPolarHBondContact OE2-CG 3.42Å; E128-Q150 PolarHBondContact OE2-NE2 3.46Å; E128-T151 PolarHBondContact OE1-N 3.26Å; E128-T151 PolarHBondContact OE1-OG1 3.36Å; E128-T151 PolarHBondContact OE2-N 3.05Å; E128-R152 HydrophobicContact CG-CB 4.46Å; E128-R152 HydrophobicContact CG-CG 4.16Å; E128-R152 WeakPolarHBondContact OE2-CA 3.15Å; E128-R152 VanDerWaalsContact OE2-CB 3.24Å; E128-R152 WeakPolarHBondContact OE2-CB 3.3Å; E128-R152 PolarHBondContact OE2-N 3.36Å
129	E	97.8	Very high	98.3	Very high	122 Å²	122	32.5 Å²	32.5	57%	0.57	16%	0.164	S	C	*	.	H	α-helix	trans	-60.4	-34.6	177.6	-72.2	174.7	163.8	0	0	112.7	R125 S126 G131	R125-E129 IonicContact CZ-OE1 3.14Å; R125-E129 IonicContact NE-OE1 3.41Å; R125-E129 PolarHBondContact NE-OE1 3.38Å; R125-E129 VanDerWaalsContact NH2-CG 3.27Å; R125-E129 IonicContact NH2-OE1 3.65Å; R125-E129 PolarHBondContact NH2-OE1 3.36Å; R125-E129 WeakPolarHBondContact O-CG 3.43Å; R125-E129 PolarHBondContact O-N 2.99Å; S126-E129 PolarHBondContact O-N 3.08Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 3.22Å
130	K	97.4	Very high	98.3	Very high	123 Å²	123	31.6 Å²	31.6	54%	0.535	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.4	176.7	-67.8	171.9	177.8	176.9	0	113.4	S126 E128 K132 P309	S126-K130 WeakPolarHBondContact O-CB 3.21Å; S126-K130 WeakPolarHBondContact O-CG 3.49Å; S126-K130 PolarHBondContact O-N 2.98Å; E128-K130 PolarHBondContact O-N 3.33Å; K130-K132 PolarHBondContact O-N 3.02Å; K130-P309 HydrophobicContact CB-CG 4.42Å; K130-P309 HydrophobicContact CD-CB 4.4Å; K130-P309 HydrophobicContact CD-CG 3.37Å
131	G	97.3	Very high	98.3	Very high	53 Å²	53	32.3 Å²	32.3	55%	0.546	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	8.1	177.5	0	0	0	0	0	115.1	W127 E128 E129	W127-G131 PolarHBondContact O-N 2.83Å; E128-G131 PolarHBondContact O-N 3.35Å; E129-G131 VanDerWaalsContact C-N 3.26Å; E129-G131 PolarHBondContact O-N 3.22Å
132	K	98.1	Very high	98.3	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.052	16%	0.163	C	C	.	.			trans	-75.5	-42.7	-179.9	-171.8	64.9	168.5	-168.5	0	112.2	V47 S48 S50 L53 W127 K130 H134 P309 L310	V47-K132 HydrophobicContact CG1-CG 4.38Å; V47-K132 WeakPolarHBondContact O-CE 3.33Å; V47-K132 PolarHBondContact O-NZ 2.72Å; S48-K132 PolarHBondContact O-NZ 2.86Å; S50-K132 WeakPolarHBondContact O-CE 3.42Å; S50-K132 PolarHBondContact O-NZ 3.33Å; L53-K132 WeakPolarHBondContact CB-O 3.26Å; L53-K132 PolarHBondContact N-O 3.45Å; L53-K132 VanDerWaalsContact N-O 3.1Å; W127-K132 HydrophobicContact CB-CB 4.37Å; W127-K132 WeakPolarHBondContact O-CB 3.5Å; W127-K132 PolarHBondContact O-N 3.01Å; K130-K132 PolarHBondContact O-N 3.02Å; K132-H134 PolarHBondContact O-N 3.1Å; K132-P309 HydrophobicContact CB-CB 3.73Å; K132-P309 HydrophobicContact CG-CB 3.85Å; K132-L310 WeakPolarHBondContact CE-O 3.25Å; K132-L310 PolarHBondContact NZ-O 2.98Å
133	L	98.5	Very high	98.2	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.016	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114	178.4	-175	155.2	0	0	0	109.3	V55 L124 W127 E128 L136	V55-L133 HydrophobicContact CB-CD1 4.29Å; V55-L133 HydrophobicContact CG2-CD1 3.79Å; V55-L133 HydrophobicContact CG2-CG 4.04Å; L124-L133 HydrophobicContact CB-CD1 4.28Å; L124-L133 HydrophobicContact CD2-CD1 4.19Å; W127-L133 HydrophobicContact CB-CB 4.15Å; W127-L133 PolarHBondContact O-N 3.11Å; E128-L133 HydrophobicContact CB-CB 4.27Å; E128-L133 HydrophobicContact CB-CD2 4.34Å; L133-L136 HydrophobicContact CD1-CB 4.27Å; L133-L136 HydrophobicContact CD1-CD1 4.19Å; L133-L136 HydrophobicContact CD2-CB 4.11Å
134	H	98.6	Very high	98.3	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.065	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-46.9	177.2	172.8	71.2	0	0	0	112.4	R52 L53 K132 R152 R245 E248	R52-H134 HydrophobicContact CB-CB 3.74Å; R52-H134 HydrophobicContact CG-CB 4.44Å; L53-H134 PolarHBondContact O-N 3Å; K132-H134 PolarHBondContact O-N 3.1Å; H134-R152 PolarHBondContact ND1-NH2 2.93Å; H134-R152 PolarHBondContact O-NE 3.43Å; H134-R152 PolarHBondContact O-NH2 2.9Å; H134-R245 PolarHBondContact CD2-O 3.04Å; H134-R245 PolarHBondContact NE2-O 3.06Å; H134-E248 IonicContact CE1-OE2 3.17Å; H134-E248 PolarHBondContact CE1-OE2 2.95Å; H134-E248 IonicContact NE2-OE2 2.69Å
135	W	98.9	Very high	98.3	Very high	31 Å²	31	25.8 Å²	25.8	12%	0.117	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	142.7	176.6	-156.5	-97.3	0	0	0	110.5	F54 V55 R152 I153 T154 F241 R245	F54-W135 WeakPolarHBondContact CA-O 3.5Å; F54-W135 HydrophobicContact CD2-CB 4Å; F54-W135 HydrophobicContact CE2-CB 3.97Å; F54-W135 HydrophobicContact CE2-CG 4.45Å; V55-W135 PolarHBondContact N-O 3.3Å; W135-R152 HydrophobicContact CD2-CB 4.3Å; W135-R152 HydrophobicContact CE3-CB 3.7Å; W135-R152 HydrophobicContact CE3-CG 4.38Å; W135-R152 HydrophobicContact CH2-CB 4.4Å; W135-R152 HydrophobicContact CZ3-CB 3.78Å; W135-R152 HydrophobicContact CZ3-CG 4.17Å; W135-I153 WeakPolarHBondContact CZ2-O 3.44Å; W135-T154 PolarHBondContact NE1-OG1 3.34Å; W135-F241 AromaticContact CE2-CE1 3.63Å; W135-F241 HydrophobicContact CH2-CE1 4.03Å; W135-F241 AromaticContact CH2-CZ 3.78Å; W135-F241 HydrophobicContact CH2-CZ 3.78Å; W135-F241 AromaticContact CZ2-CE1 3.33Å; W135-F241 HydrophobicContact CZ2-CE1 3.33Å; W135-F241 AromaticContact CZ2-CZ 3.59Å; W135-F241 HydrophobicContact CZ2-CZ 3.59Å; W135-F241 HydrophobicContact CZ3-CZ 4.48Å; W135-F241 AromaticContact NE1-CE1 3.86Å; W135-R245 HydrophobicContact CB-CB 4.01Å; W135-R245 HydrophobicContact CB-CG 4.44Å; W135-R245 HydrophobicContact CD2-CB 4.23Å; W135-R245 HydrophobicContact CD2-CG 3.67Å; W135-R245 HydrophobicContact CE3-CG 4.16Å; W135-R245 HydrophobicContact CG-CB 3.77Å; W135-R245 HydrophobicContact CG-CG 3.75Å
136	L	98.9	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.1	175.9	-176.7	151.5	0	0	0	110.3	V55 T57 L124 L133 R152 I153 T154	V55-L136 HydrophobicContact CB-CB 4.39Å; V55-L136 HydrophobicContact CB-CD1 4.4Å; V55-L136 HydrophobicContact CB-CG 4.27Å; V55-L136 HydrophobicContact CG1-CD1 4.14Å; V55-L136 HydrophobicContact CG1-CG 4.3Å; V55-L136 CarbonylContact O-C 3.47Å; V55-L136 WeakPolarHBondContact O-CA 3.36Å; T57-L136 HydrophobicContact CG2-CD1 4.05Å; T57-L136 HydrophobicContact CG2-CD2 4.5Å; T57-L136 HydrophobicContact CG2-CG 4.26Å; L124-L136 HydrophobicContact CB-CD1 4.39Å; L124-L136 HydrophobicContact CD1-CD1 3.9Å; L133-L136 HydrophobicContact CD1-CB 4.27Å; L133-L136 HydrophobicContact CD1-CD1 4.19Å; L133-L136 HydrophobicContact CD2-CB 4.11Å; L136-R152 PolarHBondContact N-O 3.41Å; L136-I153 HydrophobicContact CB-CG2 4.31Å; L136-I153 HydrophobicContact CD2-CG2 4.1Å; L136-I153 CarbonylContact O-C 3.41Å; L136-I153 VanDerWaalsContact O-CA 3.27Å; L136-I153 WeakPolarHBondContact O-CA 3.28Å; L136-T154 PolarHBondContact O-N 2.89Å
137	V	98.9	Very high	98.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.8	168.9	-179.6	0	0	0	0	108.6	F54 V55 V56 T57 T154 L156 V242	F54-V137 HydrophobicContact CE1-CB 4.28Å; F54-V137 HydrophobicContact CE1-CG2 3.69Å; F54-V137 HydrophobicContact CE2-CG2 4.32Å; F54-V137 HydrophobicContact CZ-CB 4.38Å; F54-V137 HydrophobicContact CZ-CG2 3.34Å; V55-V137 PolarHBondContact O-N 3.15Å; V56-V137 CarbonylContact C-O 3.57Å; V56-V137 WeakPolarHBondContact CA-O 3.44Å; T57-V137 PolarHBondContact N-O 3.47Å; V137-T154 WeakPolarHBondContact CA-O 3.49Å; V137-L156 HydrophobicContact CG1-CB 3.84Å; V137-L156 HydrophobicContact CG1-CD1 4.38Å; V137-L156 HydrophobicContact CG1-CD2 4.31Å; V137-L156 HydrophobicContact CG1-CG 4.41Å; V137-V242 HydrophobicContact CG1-CG2 4.39Å; V137-V242 HydrophobicContact CG2-CG1 4.09Å; V137-V242 HydrophobicContact CG2-CG2 3.85Å
138	T	98.8	Very high	98.3	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.1	175.2	-174.9	0	0	0	0	110.8	T57 N140 T154 E155 L156	T57-T138 WeakPolarHBondContact OG1-CA 3.38Å; T57-T138 VanDerWaalsContact OG1-CB 3.22Å; T57-T138 WeakPolarHBondContact OG1-CB 3.14Å; T57-T138 PolarHBondContact OG1-OG1 3.47Å; T57-T138 VanDerWaalsContact OG1-OG1 3.11Å; T138-N140 VanDerWaalsContact C-N 3.28Å; T138-N140 WeakPolarHBondContact OG1-CB 3.35Å; T138-N140 PolarHBondContact OG1-N 3.14Å; T138-T154 PolarHBondContact N-O 2.87Å; T138-E155 HydrophobicContact CG2-CB 4.34Å; T138-E155 HydrophobicContact CG2-CG 3.92Å; T138-L156 VanDerWaalsContact O-CB 3.27Å; T138-L156 WeakPolarHBondContact O-CB 3.26Å; T138-L156 PolarHBondContact O-N 2.9Å
139	Q	98.3	Very high	98.3	Very high	23 Å²	23	28.8 Å²	28.8	11%	0.107	17%	0.166	C	C	.	.			trans	-83.9	-9.2	166.5	-67.3	160.4	96	0	0	111.6	T57 L156 H157 S257	T57-Q139 PolarHBondContact O-N 3.32Å; T57-Q139 PolarHBondContact O-NE2 3.42Å; Q139-L156 HydrophobicContact CG-CD2 4.24Å; Q139-H157 PolarHBondContact O-ND1 3.06Å; Q139-H157 VanDerWaalsContact O-ND1 3.12Å; Q139-S257 PolarHBondContact NE2-OG 3.04Å
140	N	97.8	Very high	98.3	Very high	11 Å²	11	23.4 Å²	23.4	6%	0.059	14%	0.141	C	C	.	.			trans	-81.1	148.5	-175.9	-56.2	-11.4	0	0	0	110.4	G58 A59 S62 T138 D142	G58-N140 VanDerWaalsContact CA-OD1 3.27Å; G58-N140 WeakPolarHBondContact CA-OD1 3.22Å; G58-N140 PolarHBondContact O-ND2 3.31Å; G58-N140 PolarHBondContact O-OD1 3.12Å; A59-N140 VanDerWaalsContact CA-OD1 3.26Å; A59-N140 WeakPolarHBondContact CA-OD1 3.4Å; A59-N140 PolarHBondContact N-OD1 2.87Å; S62-N140 PolarHBondContact OG-ND2 2.88Å; S62-N140 VanDerWaalsContact OG-ND2 3.14Å; T138-N140 VanDerWaalsContact C-N 3.28Å; T138-N140 WeakPolarHBondContact OG1-CB 3.35Å; T138-N140 PolarHBondContact OG1-N 3.14Å; N140-D142 WeakPolarHBondContact CB-OD2 3.48Å
141	V	97.4	Very high	98.3	Very high	16 Å²	16	22.3 Å²	22.3	10%	0.097	15%	0.145	C	C	.	.			trans	-110.1	13.9	178.4	-59.3	0	0	0	0	112.1	H157 A160 D198 V227	V141-H157 HydrophobicContact CG1-CB 3.98Å; V141-A160 HydrophobicContact CB-CB 4.37Å; V141-A160 HydrophobicContact CG2-CB 4.22Å; V141-A160 WeakPolarHBondContact O-CB 3.42Å; V141-A160 PolarHBondContact O-N 2.88Å; V141-D198 HydrophobicContact CG2-CB 4.27Å; V141-V227 HydrophobicContact CB-CG1 3.92Å; V141-V227 HydrophobicContact CG1-CB 4.2Å; V141-V227 HydrophobicContact CG1-CG1 3.82Å; V141-V227 HydrophobicContact CG2-CG1 4.45Å
142	D	97.8	Very high	98.4	Very high	6 Å²	6	24 Å²	24	3%	0.032	13%	0.134	C	C	.	.	S	Bend	trans	-89.5	-2.9	-167.7	60.5	22.8	0	0	0	115.2	S62 I67 F112 N140 L144	S62-D142 VanDerWaalsContact CB-OD2 3.32Å; S62-D142 WeakPolarHBondContact CB-OD2 3.27Å; S62-D142 PolarHBondContact OG-OD2 3.05Å; I67-D142 HydrophobicContact CD1-CB 3.7Å; F112-D142 HydrophobicContact CE2-CB 4.4Å; F112-D142 HydrophobicContact CZ-CB 3.9Å; N140-D142 WeakPolarHBondContact CB-OD2 3.48Å; D142-L144 HydrophobicContact CB-CG 4.05Å; D142-L144 PolarHBondContact O-N 3.36Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-L144 WeakPolarHBondContact OD1-CB 3.26Å; D142-L144 PolarHBondContact OD1-N 3.3Å
143	A	98.2	Very high	98.4	Very high	8 Å²	8	25 Å²	25	7%	0.066	14%	0.14	C	C	.	.			trans	57.9	12.1	-174.9	0	0	0	0	0	115.4	H145 S146 K147 H161	A143-H145 PolarHBondContact O-N 3.1Å; A143-S146 WeakPolarHBondContact O-CB 3.48Å; A143-S146 PolarHBondContact O-N 3.39Å; A143-K147 WeakPolarHBondContact O-CG 3.46Å; A143-K147 PolarHBondContact O-N 3.4Å; A143-H161 VanDerWaalsContact CB-CD2 3.48Å; A143-H161 WeakPolarHBondContact CB-CD2 3.37Å
144	L	98.7	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-31.6	-172.2	-66.4	-169.1	0	0	0	112.9	I67 H115 P117 H121 D142 K147 A148	I67-L144 HydrophobicContact CD1-CD1 3.82Å; I67-L144 HydrophobicContact CD1-CG 4.28Å; H115-L144 HydrophobicContact CB-CD2 4.17Å; H115-L144 WeakPolarHBondContact O-CD2 3.33Å; P117-L144 WeakPolarHBondContact CG-O 3.26Å; H121-L144 WeakPolarHBondContact NE2-CB 3.37Å; D142-L144 HydrophobicContact CB-CG 4.05Å; D142-L144 PolarHBondContact O-N 3.36Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-L144 WeakPolarHBondContact OD1-CB 3.26Å; D142-L144 PolarHBondContact OD1-N 3.3Å; L144-K147 HydrophobicContact CD2-CD 3.95Å; L144-A148 WeakPolarHBondContact O-CB 3.27Å; L144-A148 PolarHBondContact O-N 3.04Å
145	H	98.7	Very high	98.4	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-44.9	170.4	-73.4	-61.4	0	0	0	111.7	T57 H121 A143 K147 A148 G149 Q150	T57-H145 PolarHBondContact OG1-NE2 3.4Å; H121-H145 AromaticContact CD2-CE1 3.7Å; H121-H145 AromaticContact CD2-CG 4Å; H121-H145 AromaticContact CD2-ND1 3.58Å; A143-H145 PolarHBondContact O-N 3.1Å; H145-K147 PolarHBondContact O-N 3.43Å; H145-A148 WeakPolarHBondContact O-CA 3.39Å; H145-A148 WeakPolarHBondContact O-CB 3.29Å; H145-A148 PolarHBondContact O-N 3.03Å; H145-G149 PolarHBondContact O-N 3.12Å; H145-Q150 HydrophobicContact CB-CB 4.11Å; H145-Q150 VanDerWaalsContact O-CB 3.25Å; H145-Q150 WeakPolarHBondContact O-CB 3.29Å; H145-Q150 PolarHBondContact O-N 2.91Å
146	S	98.2	Very high	98.4	Very high	50 Å²	50	25.2 Å²	25.2	35%	0.35	14%	0.143	S	C	.	.	H	α-helix	trans	-61.7	-43.4	176.4	-48.8	0	0	0	0	111.3	A143 A148 G149 I153	A143-S146 WeakPolarHBondContact O-CB 3.48Å; A143-S146 PolarHBondContact O-N 3.39Å; S146-A148 PolarHBondContact O-N 3.2Å; S146-G149 PolarHBondContact O-N 3.23Å; S146-I153 WeakPolarHBondContact OG-CD1 3.44Å
147	K	98.5	Very high	98.3	Very high	71 Å²	71	26.7 Å²	26.7	31%	0.309	15%	0.15	S	C	.	.	H	α-helix	trans	-63.9	-26.7	173.6	-71.7	172.9	-179.9	171.8	0	113	S113 H115 P117 A143 L144 H145 G149	S113-K147 PolarHBondContact O-NZ 3.36Å; H115-K147 PolarHBondContact O-NZ 3.28Å; P117-K147 HydrophobicContact CG-CB 3.66Å; A143-K147 WeakPolarHBondContact O-CG 3.46Å; A143-K147 PolarHBondContact O-N 3.4Å; L144-K147 HydrophobicContact CD2-CD 3.95Å; H145-K147 PolarHBondContact O-N 3.43Å; K147-G149 PolarHBondContact O-N 2.84Å
148	A	98.4	Very high	98.2	Very high	20 Å²	20	26.8 Å²	26.8	17%	0.165	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.2	173	0	0	0	0	0	113	P117 H121 R125 L144 H145 S146	P117-A148 HydrophobicContact CB-CB 3.88Å; P117-A148 HydrophobicContact CG-CB 3.94Å; H121-A148 HydrophobicContact CB-CB 3.87Å; R125-A148 WeakPolarHBondContact CG-O 3.4Å; L144-A148 WeakPolarHBondContact O-CB 3.27Å; L144-A148 PolarHBondContact O-N 3.04Å; H145-A148 WeakPolarHBondContact O-CA 3.39Å; H145-A148 WeakPolarHBondContact O-CB 3.29Å; H145-A148 PolarHBondContact O-N 3.03Å; S146-A148 PolarHBondContact O-N 3.2Å
149	G	98.4	Very high	98.2	Very high	35 Å²	35	26.8 Å²	26.8	36%	0.361	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	14.6	-179.3	0	0	0	0	0	114.2	R125 H145 S146 K147 T151	R125-G149 WeakPolarHBondContact CD-O 3.3Å; R125-G149 PolarHBondContact NE-O 2.98Å; R125-G149 PolarHBondContact NH1-O 2.8Å; H145-G149 PolarHBondContact O-N 3.12Å; S146-G149 PolarHBondContact O-N 3.23Å; K147-G149 PolarHBondContact O-N 2.84Å; G149-T151 PolarHBondContact O-N 3.17Å
150	Q	98.3	Very high	98.1	Very high	9 Å²	9	25.8 Å²	25.8	4%	0.042	15%	0.147	C	C	.	.			trans	-66.1	131.3	178.4	-154.5	79	32.8	0	0	110.2	L124 E128 H145 I153	L124-Q150 PolarHBondContact O-NE2 3.33Å; E128-Q150 VanDerWaalsContact CB-NE2 3.26Å; E128-Q150 VanDerWaalsContact CD-NE2 3.3Å; E128-Q150 WeakPolarHBondContact OE2-CG 3.42Å; E128-Q150 PolarHBondContact OE2-NE2 3.46Å; H145-Q150 HydrophobicContact CB-CB 4.11Å; H145-Q150 VanDerWaalsContact O-CB 3.25Å; H145-Q150 WeakPolarHBondContact O-CB 3.29Å; H145-Q150 PolarHBondContact O-N 2.91Å; Q150-I153 HydrophobicContact CB-CG2 3.49Å; Q150-I153 VanDerWaalsContact CB-CG2 3.49Å; Q150-I153 HydrophobicContact CG-CG2 3.07Å
151	T	98	Very high	98.1	Very high	100 Å²	100	27.4 Å²	27.4	61%	0.613	15%	0.154	S	C	*	.			trans	-113.3	-29.2	-176.5	62.3	0	0	0	0	113	E128 G149 I153	E128-T151 PolarHBondContact OE1-N 3.26Å; E128-T151 PolarHBondContact OE1-OG1 3.36Å; E128-T151 PolarHBondContact OE2-N 3.05Å; G149-T151 PolarHBondContact O-N 3.17Å; T151-I153 VanDerWaalsContact C-N 3.29Å; T151-I153 PolarHBondContact O-N 3.5Å
152	R	98.4	Very high	98.2	Very high	88 Å²	88	30.2 Å²	30.2	33%	0.332	16%	0.163	S	C	.	.	S	Bend	trans	-93	62.4	178.7	-57.6	179.2	65.6	99.1	1.6	110.1	E128 H134 W135 L136	E128-R152 HydrophobicContact CG-CB 4.46Å; E128-R152 HydrophobicContact CG-CG 4.16Å; E128-R152 WeakPolarHBondContact OE2-CA 3.15Å; E128-R152 VanDerWaalsContact OE2-CB 3.24Å; E128-R152 WeakPolarHBondContact OE2-CB 3.3Å; E128-R152 PolarHBondContact OE2-N 3.36Å; H134-R152 PolarHBondContact ND1-NH2 2.93Å; H134-R152 PolarHBondContact O-NE 3.43Å; H134-R152 PolarHBondContact O-NH2 2.9Å; W135-R152 HydrophobicContact CD2-CB 4.3Å; W135-R152 HydrophobicContact CE3-CB 3.7Å; W135-R152 HydrophobicContact CE3-CG 4.38Å; W135-R152 HydrophobicContact CH2-CB 4.4Å; W135-R152 HydrophobicContact CZ3-CB 3.78Å; W135-R152 HydrophobicContact CZ3-CG 4.17Å; L136-R152 PolarHBondContact N-O 3.41Å
153	I	98.6	Very high	98.2	Very high	34 Å²	34	30 Å²	30	17%	0.174	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.7	-173.2	62.9	177.7	0	0	0	113.8	W135 L136 S146 Q150 T151	W135-I153 WeakPolarHBondContact CZ2-O 3.44Å; L136-I153 HydrophobicContact CB-CG2 4.31Å; L136-I153 HydrophobicContact CD2-CG2 4.1Å; L136-I153 CarbonylContact O-C 3.41Å; L136-I153 VanDerWaalsContact O-CA 3.27Å; L136-I153 WeakPolarHBondContact O-CA 3.28Å; S146-I153 WeakPolarHBondContact OG-CD1 3.44Å; Q150-I153 HydrophobicContact CB-CG2 3.49Å; Q150-I153 VanDerWaalsContact CB-CG2 3.49Å; Q150-I153 HydrophobicContact CG-CG2 3.07Å; T151-I153 VanDerWaalsContact C-N 3.29Å; T151-I153 PolarHBondContact O-N 3.5Å
154	T	98.8	Very high	98.2	Very high	12 Å²	12	30.8 Å²	30.8	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.9	158.7	-58	0	0	0	0	109.8	W135 L136 V137 T138 L156 T238 V242	W135-T154 PolarHBondContact NE1-OG1 3.34Å; L136-T154 PolarHBondContact O-N 2.89Å; V137-T154 WeakPolarHBondContact CA-O 3.49Å; T138-T154 PolarHBondContact N-O 2.87Å; T154-L156 PolarHBondContact O-N 2.76Å; T154-T238 HydrophobicContact CG2-CG2 3.54Å; T154-V242 HydrophobicContact CG2-CG2 3.75Å
155	E	98.6	Very high	98.2	Very high	32 Å²	32	30.9 Å²	30.9	15%	0.15	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	92.8	168.9	-67.6	173	135.6	0	0	108.9	T138 H157 G158 C159 R162	T138-E155 HydrophobicContact CG2-CB 4.34Å; T138-E155 HydrophobicContact CG2-CG 3.92Å; E155-H157 PolarHBondContact O-N 2.97Å; E155-G158 PolarHBondContact O-N 3.36Å; E155-G158 VanDerWaalsContact O-N 3.1Å; E155-C159 WeakPolarHBondContact OE1-CB 3.45Å; E155-C159 PolarHBondContact OE1-SG 3.45Å; E155-R162 IonicContact OE1-NH1 3.55Å; E155-R162 IonicContact OE2-CZ 3.87Å; E155-R162 IonicContact OE2-NH1 2.89Å; E155-R162 PolarHBondContact OE2-NH1 2.75Å; E155-R162 IonicContact OE2-NH2 3.53Å; E155-R162 PolarHBondContact OE2-NH2 3.46Å
156	L	98	Very high	98.1	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.9	-171.2	-173.8	66.9	0	0	0	112.6	V137 T138 Q139 T154 V234 V242	V137-L156 HydrophobicContact CG1-CB 3.84Å; V137-L156 HydrophobicContact CG1-CD1 4.38Å; V137-L156 HydrophobicContact CG1-CD2 4.31Å; V137-L156 HydrophobicContact CG1-CG 4.41Å; T138-L156 VanDerWaalsContact O-CB 3.27Å; T138-L156 WeakPolarHBondContact O-CB 3.26Å; T138-L156 PolarHBondContact O-N 2.9Å; Q139-L156 HydrophobicContact CG-CD2 4.24Å; T154-L156 PolarHBondContact O-N 2.76Å; L156-V234 HydrophobicContact CD1-CG1 3.94Å; L156-V234 HydrophobicContact CD1-CG2 4.41Å; L156-V234 HydrophobicContact CG-CG2 4.27Å; L156-V234 WeakPolarHBondContact O-CG1 3.25Å; L156-V234 WeakPolarHBondContact O-CG2 3.25Å; L156-V242 HydrophobicContact CD1-CG2 4.44Å
157	H	97.6	Very high	98.1	Very high	31 Å²	31	34.8 Å²	34.8	14%	0.144	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	17.5	-178.6	-62.5	151.4	0	0	0	112.8	Q139 V141 E155 V227 T228 S263	Q139-H157 PolarHBondContact O-ND1 3.06Å; Q139-H157 VanDerWaalsContact O-ND1 3.12Å; V141-H157 HydrophobicContact CG1-CB 3.98Å; E155-H157 PolarHBondContact O-N 2.97Å; H157-V227 CarbonylContact O-C 3.53Å; H157-V227 WeakPolarHBondContact O-CA 3.26Å; H157-T228 PolarHBondContact O-N 3.33Å; H157-S263 PolarHBondContact CE1-OG 2.89Å; H157-S263 PolarHBondContact NE2-OG 3.49Å
158	G	97.5	Very high	98.1	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-159.3	-175.2	0	0	0	0	0	112.7	E155 E226	E155-G158 PolarHBondContact O-N 3.36Å; E155-G158 VanDerWaalsContact O-N 3.1Å; G158-E226 CarbonylContact C-O 3.56Å; G158-E226 VanDerWaalsContact CA-O 3.26Å; G158-E226 WeakPolarHBondContact CA-O 3.19Å
159	C	97.6	Very high	98	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.2	-176.8	-166.8	0	0	0	0	112.4	E155 H161 R162 E226	E155-C159 WeakPolarHBondContact OE1-CB 3.45Å; E155-C159 PolarHBondContact OE1-SG 3.45Å; C159-H161 PolarHBondContact O-N 2.79Å; C159-H161 VanDerWaalsContact O-N 3.13Å; C159-R162 PolarHBondContact O-N 2.88Å; C159-E226 PolarHBondContact N-O 3.39Å
160	A	96.8	Very high	98	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-11.9	178.2	0	0	0	0	0	112.9	W109 F112 V141 R162 R174 V227	W109-A160 WeakPolarHBondContact CZ3-O 3.43Å; F112-A160 HydrophobicContact CE1-CB 3.77Å; F112-A160 HydrophobicContact CZ-CB 4.33Å; V141-A160 HydrophobicContact CB-CB 4.37Å; V141-A160 HydrophobicContact CG2-CB 4.22Å; V141-A160 WeakPolarHBondContact O-CB 3.42Å; V141-A160 PolarHBondContact O-N 2.88Å; A160-R162 PolarHBondContact O-N 2.8Å; A160-R174 WeakPolarHBondContact O-CB 3.45Å; A160-R174 WeakPolarHBondContact O-CG 3.46Å; A160-V227 HydrophobicContact CB-CG1 4.3Å
161	H	98.1	Very high	98	Very high	46 Å²	46	39.3 Å²	39.3	21%	0.213	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-3.5	172.6	-75	-108.4	0	0	0	113.9	W109 A143 C159 R174	W109-H161 HydrophobicContact CH2-CB 4.26Å; W109-H161 AromaticContact CH2-CE1 3.7Å; W109-H161 AromaticContact CH2-CG 3.7Å; W109-H161 AromaticContact CH2-ND1 3.47Å; W109-H161 WeakPolarHBondContact CH2-ND1 3.44Å; A143-H161 VanDerWaalsContact CB-CD2 3.48Å; A143-H161 WeakPolarHBondContact CB-CD2 3.37Å; C159-H161 PolarHBondContact O-N 2.79Å; C159-H161 VanDerWaalsContact O-N 3.13Å; H161-R174 WeakPolarHBondContact O-CB 3.49Å; H161-R174 PolarHBondContact O-N 2.91Å
162	R	98.5	Very high	98	Very high	75 Å²	75	36.6 Å²	36.6	28%	0.283	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.2	177.9	-66.9	-175.4	-60.1	-93.7	5.5	111.3	E155 C159 A160 I171 T172 E226	E155-R162 IonicContact OE1-NH1 3.55Å; E155-R162 IonicContact OE2-CZ 3.87Å; E155-R162 IonicContact OE2-NH1 2.89Å; E155-R162 PolarHBondContact OE2-NH1 2.75Å; E155-R162 IonicContact OE2-NH2 3.53Å; E155-R162 PolarHBondContact OE2-NH2 3.46Å; C159-R162 PolarHBondContact O-N 2.88Å; A160-R162 PolarHBondContact O-N 2.8Å; R162-I171 HydrophobicContact CB-CG2 4.1Å; R162-I171 HydrophobicContact CG-CG2 4.34Å; R162-T172 WeakPolarHBondContact CA-O 3.35Å; R162-E226 HydrophobicContact CB-CB 3.74Å; R162-E226 HydrophobicContact CB-CG 4.5Å; R162-E226 IonicContact CZ-OE2 3.67Å; R162-E226 IonicContact NE-OE2 2.69Å; R162-E226 PolarHBondContact NE-OE2 3.06Å; R162-E226 IonicContact NH2-OE2 3.62Å; R162-E226 PolarHBondContact NH2-OE2 2.91Å; R162-E226 PolarHBondContact O-N 3.33Å
163	V	98.5	Very high	98	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.6	176.4	179.9	0	0	0	0	107.9	W102 I171 T172 R174 L177 L223 K224	W102-V163 HydrophobicContact CH2-CG1 4.4Å; W102-V163 HydrophobicContact CH2-CG2 4.14Å; W102-V163 HydrophobicContact CZ2-CG1 4.46Å; V163-I171 CarbonylContact O-C 3.59Å; V163-I171 VanDerWaalsContact O-CA 3.22Å; V163-I171 WeakPolarHBondContact O-CA 3.22Å; V163-T172 PolarHBondContact N-O 3.32Å; V163-T172 PolarHBondContact O-N 3.39Å; V163-R174 HydrophobicContact CG2-CB 4.01Å; V163-R174 HydrophobicContact CG2-CG 4.48Å; V163-L177 HydrophobicContact CG1-CD2 4.11Å; V163-L177 HydrophobicContact CG2-CB 4.26Å; V163-L177 HydrophobicContact CG2-CD2 3.81Å; V163-L223 HydrophobicContact CG1-CB 3.89Å; V163-L223 HydrophobicContact CG1-CD1 4.48Å; V163-L223 HydrophobicContact CG1-CD2 4.12Å; V163-L223 HydrophobicContact CG1-CG 4.39Å; V163-K224 CarbonylContact C-O 3.57Å; V163-K224 WeakPolarHBondContact CA-O 3.46Å; V163-K224 WeakPolarHBondContact CG1-O 3.29Å
164	T	98.3	Very high	98	Very high	24 Å²	24	32.8 Å²	32.8	15%	0.147	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.3	175.9	-174.8	0	0	0	0	110.7	S170 K224 E226	T164-S170 CarbonylContact C-O 3.57Å; T164-S170 WeakPolarHBondContact CA-O 3.39Å; T164-K224 HydrophobicContact CG2-CB 4.27Å; T164-K224 PolarHBondContact N-O 2.86Å; T164-K224 PolarHBondContact O-N 2.78Å; T164-K224 VanDerWaalsContact O-O 3.1Å; T164-E226 HydrophobicContact CG2-CB 4.27Å; T164-E226 HydrophobicContact CG2-CG 4.4Å
165	C	98.4	Very high	97.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127	168.5	-177.4	0	0	0	0	110.5	G167 G169 S170 C216 C219 I222 L223	C165-G167 PolarHBondContact O-N 3.47Å; C165-G167 PolarHBondContact SG-N 2.84Å; C165-G169 WeakPolarHBondContact O-CA 3.45Å; C165-G169 PolarHBondContact O-N 3.07Å; C165-S170 WeakPolarHBondContact CB-OG 3.45Å; C165-S170 PolarHBondContact N-O 3.3Å; C165-C216 HydrophobicContact CB-CB 4.08Å; C165-C216 WeakPolarHBondContact SG-CB 3.28Å; C165-C219 PolarHBondContact SG-SG 3.28Å; C165-I222 WeakPolarHBondContact CA-O 3.38Å; C165-L223 HydrophobicContact CB-CD2 4.02Å
166	L	97.2	Very high	97.9	Very high	77 Å²	77	40 Å²	40	40%	0.403	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.8	175.9	-56.8	-175.6	0	0	0	113.5	T92 I222 K224	T92-L166 HydrophobicContact CG2-CD1 4.18Å; L166-I222 HydrophobicContact CB-CB 4.46Å; L166-I222 HydrophobicContact CD1-CB 4.29Å; L166-I222 HydrophobicContact CD1-CG2 3.92Å; L166-I222 HydrophobicContact CG-CG2 4.44Å; L166-I222 PolarHBondContact N-O 3.13Å; L166-K224 HydrophobicContact CD1-CB 4.33Å; L166-K224 HydrophobicContact CD2-CB 3.92Å; L166-K224 HydrophobicContact CD2-CD 4.1Å; L166-K224 HydrophobicContact CG-CB 4.11Å
167	G	97.8	Very high	97.9	Very high	58 Å²	58	39.8 Å²	39.8	60%	0.598	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-60.4	177.4	0	0	0	0	0	112.8	C165	C165-G167 PolarHBondContact O-N 3.47Å; C165-G167 PolarHBondContact SG-N 2.84Å
168	C	97.8	Very high	97.9	Very high	64 Å²	64	39.5 Å²	39.5	43%	0.432	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-4	-175.2	64.6	0	0	0	0	114.8	S170 C219	C168-S170 PolarHBondContact O-N 3.18Å; C168-S170 PolarHBondContact SG-OG 3.06Å; C168-S170 VanDerWaalsContact SG-OG 3.41Å; C168-C219 HydrophobicContact CB-CB 4.15Å
169	G	97.2	Very high	97.9	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	26%	0.259	S	S	.	.			trans	75.8	-0.3	-178.9	0	0	0	0	0	115.3	C165 I171	C165-G169 WeakPolarHBondContact O-CA 3.45Å; C165-G169 PolarHBondContact O-N 3.07Å; G169-I171 PolarHBondContact O-N 2.97Å
170	S	97.9	Very high	97.9	Very high	18 Å²	18	48.7 Å²	48.7	13%	0.126	27%	0.268	C	S	.	.			trans	-55.2	135.6	178.9	67.9	0	0	0	0	111.5	T164 C165 C168	T164-S170 CarbonylContact C-O 3.57Å; T164-S170 WeakPolarHBondContact CA-O 3.39Å; C165-S170 WeakPolarHBondContact CB-OG 3.45Å; C165-S170 PolarHBondContact N-O 3.3Å; C168-S170 PolarHBondContact O-N 3.18Å; C168-S170 PolarHBondContact SG-OG 3.06Å; C168-S170 VanDerWaalsContact SG-OG 3.41Å
171	I	98.1	Very high	97.9	Very high	103 Å²	103	48.6 Å²	48.6	53%	0.528	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.3	175.9	-59.2	176.3	0	0	0	109.4	R162 V163 G169	R162-I171 HydrophobicContact CB-CG2 4.1Å; R162-I171 HydrophobicContact CG-CG2 4.34Å; V163-I171 CarbonylContact O-C 3.59Å; V163-I171 VanDerWaalsContact O-CA 3.22Å; V163-I171 WeakPolarHBondContact O-CA 3.22Å; G169-I171 PolarHBondContact O-N 2.97Å
172	T	98.4	Very high	97.9	Very high	44 Å²	44	50.3 Å²	50.3	27%	0.27	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165.9	176.6	63.5	0	0	0	0	111.3	R162 V163	R162-T172 WeakPolarHBondContact CA-O 3.35Å; V163-T172 PolarHBondContact N-O 3.32Å; V163-T172 PolarHBondContact O-N 3.39Å
173	A	98.3	Very high	97.8	Very high	41 Å²	41	51.7 Å²	51.7	34%	0.339	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.2	176.4	0	0	0	0	0	110.6	E175 E176 L177	A173-E175 PolarHBondContact O-N 3.49Å; A173-E176 HydrophobicContact CB-CG 4.11Å; A173-E176 PolarHBondContact N-OE2 3.38Å; A173-E176 WeakPolarHBondContact O-CB 3.39Å; A173-E176 PolarHBondContact O-N 3.47Å; A173-E176 VanDerWaalsContact O-N 3.16Å; A173-L177 PolarHBondContact O-N 2.93Å
174	R	98.2	Very high	97.7	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-29.7	175.8	176.2	58.6	-171.9	77.4	3	112.4	N105 W109 A160 H161 V163 E176 L177 Q178	N105-R174 VanDerWaalsContact OD1-CZ 3.22Å; N105-R174 PolarHBondContact OD1-NE 2.89Å; N105-R174 PolarHBondContact OD1-NH2 2.81Å; W109-R174 HydrophobicContact CD2-CG 3.84Å; W109-R174 HydrophobicContact CE3-CG 3.55Å; W109-R174 HydrophobicContact CH2-CB 3.67Å; W109-R174 HydrophobicContact CH2-CG 3.52Å; W109-R174 HydrophobicContact CZ2-CB 4.03Å; W109-R174 HydrophobicContact CZ2-CG 3.81Å; W109-R174 HydrophobicContact CZ3-CB 3.97Å; W109-R174 HydrophobicContact CZ3-CG 3.38Å; A160-R174 WeakPolarHBondContact O-CB 3.45Å; A160-R174 WeakPolarHBondContact O-CG 3.46Å; H161-R174 WeakPolarHBondContact O-CB 3.49Å; H161-R174 PolarHBondContact O-N 2.91Å; V163-R174 HydrophobicContact CG2-CB 4.01Å; V163-R174 HydrophobicContact CG2-CG 4.48Å; R174-E176 VanDerWaalsContact C-N 3.33Å; R174-E176 PolarHBondContact O-N 3.31Å; R174-L177 PolarHBondContact O-N 3.33Å; R174-Q178 VanDerWaalsContact CZ-OE1 3.28Å; R174-Q178 PolarHBondContact O-N 2.85Å
175	E	97.8	Very high	97.6	Very high	107 Å²	107	54.1 Å²	54.1	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-38.4	175.7	-165.6	-170.3	149.4	0	0	112.4	W109 A173 L177 Q178 R179	W109-E175 HydrophobicContact CZ2-CB 4.43Å; A173-E175 PolarHBondContact O-N 3.49Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.49Å; E175-Q178 VanDerWaalsContact O-CB 3.23Å; E175-Q178 WeakPolarHBondContact O-CB 3.48Å; E175-Q178 PolarHBondContact O-N 3.11Å; E175-R179 VanDerWaalsContact CD-NH2 3.33Å; E175-R179 PolarHBondContact O-N 3.48Å; E175-R179 IonicContact OE1-CZ 3.87Å; E175-R179 IonicContact OE1-NH2 3.99Å; E175-R179 PolarHBondContact OE1-NH2 2.82Å
176	E	97.9	Very high	97.4	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-42.5	175.3	-65.9	166.6	175.3	0	0	110.7	A173 R174 Q178 R179 R180	A173-E176 HydrophobicContact CB-CG 4.11Å; A173-E176 PolarHBondContact N-OE2 3.38Å; A173-E176 WeakPolarHBondContact O-CB 3.39Å; A173-E176 PolarHBondContact O-N 3.47Å; A173-E176 VanDerWaalsContact O-N 3.16Å; R174-E176 VanDerWaalsContact C-N 3.33Å; R174-E176 PolarHBondContact O-N 3.31Å; E176-Q178 PolarHBondContact O-N 3.42Å; E176-R179 PolarHBondContact O-N 2.89Å; E176-R180 WeakPolarHBondContact O-CG 3.38Å; E176-R180 PolarHBondContact O-N 3.45Å; E176-R180 VanDerWaalsContact O-N 3.14Å
177	L	97.9	Very high	97.1	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-31.5	174.1	-172.9	63.9	0	0	0	112	W102 V163 A173 R174 E175 R180 F181 P214 L223	W102-L177 HydrophobicContact CD2-CD2 4.49Å; W102-L177 HydrophobicContact CE3-CD2 4.13Å; W102-L177 HydrophobicContact CH2-CD2 3.52Å; W102-L177 HydrophobicContact CZ2-CD2 3.88Å; W102-L177 HydrophobicContact CZ3-CD2 3.67Å; V163-L177 HydrophobicContact CG1-CD2 4.11Å; V163-L177 HydrophobicContact CG2-CB 4.26Å; V163-L177 HydrophobicContact CG2-CD2 3.81Å; A173-L177 PolarHBondContact O-N 2.93Å; R174-L177 PolarHBondContact O-N 3.33Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.49Å; L177-R180 HydrophobicContact CD1-CB 4.47Å; L177-R180 PolarHBondContact O-N 3.01Å; L177-F181 HydrophobicContact CD1-CE2 4.23Å; L177-F181 HydrophobicContact CD1-CZ 4.25Å; L177-F181 HydrophobicContact CD2-CE2 3.62Å; L177-F181 HydrophobicContact CD2-CZ 3.84Å; L177-F181 HydrophobicContact CG-CD2 3.94Å; L177-F181 HydrophobicContact CG-CE2 3.46Å; L177-F181 VanDerWaalsContact CG-CE2 3.46Å; L177-F181 HydrophobicContact CG-CZ 3.89Å; L177-F181 WeakPolarHBondContact O-CD2 3.38Å; L177-F181 WeakPolarHBondContact O-CG 3.4Å; L177-F181 PolarHBondContact O-N 3.36Å; L177-P214 HydrophobicContact CD1-CB 4.2Å; L177-P214 HydrophobicContact CD1-CG 4.03Å; L177-L223 HydrophobicContact CD1-CD1 3.78Å
178	Q	97.4	Very high	96.7	Very high	25 Å²	25	61.5 Å²	61.5	12%	0.117	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-45.1	174.6	-167.1	69.4	5.3	0	0	111.4	F106 W109 R174 E175 E176 R180 F181 V182	F106-Q178 VanDerWaalsContact CD2-CD 3.48Å; F106-Q178 PolarHBondContact O-NE2 3.3Å; W109-Q178 VanDerWaalsContact CD1-CD 3.47Å; R174-Q178 VanDerWaalsContact CZ-OE1 3.28Å; R174-Q178 PolarHBondContact O-N 2.85Å; E175-Q178 VanDerWaalsContact O-CB 3.23Å; E175-Q178 WeakPolarHBondContact O-CB 3.48Å; E175-Q178 PolarHBondContact O-N 3.11Å; E176-Q178 PolarHBondContact O-N 3.42Å; Q178-R180 VanDerWaalsContact C-N 3.3Å; Q178-R180 PolarHBondContact O-N 3.5Å; Q178-F181 PolarHBondContact O-N 3.44Å; Q178-V182 WeakPolarHBondContact O-CG2 3.39Å; Q178-V182 PolarHBondContact O-N 3.1Å
179	R	97.6	Very high	95.8	Very high	144 Å²	144	63.8 Å²	63.8	54%	0.543	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-39.3	177.9	-57.7	-177.8	-156	123.9	4.2	111.2	E175 E176 V182 S183	E175-R179 VanDerWaalsContact CD-NH2 3.33Å; E175-R179 PolarHBondContact O-N 3.48Å; E175-R179 IonicContact OE1-CZ 3.87Å; E175-R179 IonicContact OE1-NH2 3.99Å; E175-R179 PolarHBondContact OE1-NH2 2.82Å; E176-R179 PolarHBondContact O-N 2.89Å; R179-V182 PolarHBondContact O-N 3.27Å; R179-S183 PolarHBondContact O-N 3.08Å
180	R	97.9	Very high	95.1	Very high	55 Å²	55	62.9 Å²	62.9	21%	0.208	35%	0.348	C	S	.	.	H	α-helix	trans	-65.2	-39.3	175.7	-63.3	173.3	75.4	-136.5	-11	112	E176 L177 Q178 S183 L184 P214 S215 E217	E176-R180 WeakPolarHBondContact O-CG 3.38Å; E176-R180 PolarHBondContact O-N 3.45Å; E176-R180 VanDerWaalsContact O-N 3.14Å; L177-R180 HydrophobicContact CD1-CB 4.47Å; L177-R180 PolarHBondContact O-N 3.01Å; Q178-R180 VanDerWaalsContact C-N 3.3Å; Q178-R180 PolarHBondContact O-N 3.5Å; R180-S183 PolarHBondContact O-N 3.24Å; R180-L184 VanDerWaalsContact O-CB 3.27Å; R180-L184 WeakPolarHBondContact O-CB 3.47Å; R180-L184 PolarHBondContact O-N 3.14Å; R180-P214 HydrophobicContact CB-CB 4.42Å; R180-P214 HydrophobicContact CB-CG 3.99Å; R180-S215 PolarHBondContact NH1-O 2.88Å; R180-S215 PolarHBondContact NH2-O 3.29Å; R180-E217 IonicContact CZ-OE1 2.81Å; R180-E217 IonicContact NE-OE1 3.52Å; R180-E217 PolarHBondContact NE-OE1 3.47Å; R180-E217 VanDerWaalsContact NH2-CG 3.28Å; R180-E217 IonicContact NH2-OE1 3.77Å
181	F	97.4	Very high	93.8	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.4	-46.8	172.9	-75.8	-53.8	0	0	0	112	W102 F106 L177 Q178 S183 L184 N185 F211 V213 P214	W102-F181 HydrophobicContact CB-CE1 4.07Å; W102-F181 HydrophobicContact CB-CZ 3.7Å; W102-F181 HydrophobicContact CD2-CE2 4.33Å; W102-F181 AromaticContact CD2-CZ 3.72Å; W102-F181 HydrophobicContact CD2-CZ 3.72Å; W102-F181 AromaticContact CE3-CE2 3.81Å; W102-F181 HydrophobicContact CE3-CE2 3.81Å; W102-F181 AromaticContact CE3-CZ 3.68Å; W102-F181 HydrophobicContact CE3-CZ 3.68Å; W102-F181 HydrophobicContact CG-CE1 4.44Å; W102-F181 AromaticContact CG-CZ 3.78Å; W102-F181 HydrophobicContact CG-CZ 3.78Å; W102-F181 HydrophobicContact CZ3-CE2 4.37Å; F106-F181 HydrophobicContact CB-CD2 4.27Å; F106-F181 HydrophobicContact CD2-CB 3.37Å; F106-F181 AromaticContact CD2-CD2 3.9Å; F106-F181 HydrophobicContact CD2-CD2 3.9Å; F106-F181 AromaticContact CD2-CG 3.88Å; F106-F181 HydrophobicContact CD2-CG 3.88Å; F106-F181 HydrophobicContact CE2-CB 3.59Å; F106-F181 HydrophobicContact CG-CB 4.26Å; F106-F181 HydrophobicContact CG-CG 4.48Å; L177-F181 HydrophobicContact CD1-CE2 4.23Å; L177-F181 HydrophobicContact CD1-CZ 4.25Å; L177-F181 HydrophobicContact CD2-CE2 3.62Å; L177-F181 HydrophobicContact CD2-CZ 3.84Å; L177-F181 HydrophobicContact CG-CD2 3.94Å; L177-F181 HydrophobicContact CG-CE2 3.46Å; L177-F181 VanDerWaalsContact CG-CE2 3.46Å; L177-F181 HydrophobicContact CG-CZ 3.89Å; L177-F181 WeakPolarHBondContact O-CD2 3.38Å; L177-F181 WeakPolarHBondContact O-CG 3.4Å; L177-F181 PolarHBondContact O-N 3.36Å; Q178-F181 PolarHBondContact O-N 3.44Å; F181-S183 PolarHBondContact O-N 2.58Å; F181-L184 PolarHBondContact O-N 3.39Å; F181-N185 VanDerWaalsContact O-CB 3.31Å; F181-N185 WeakPolarHBondContact O-CB 3.38Å; F181-N185 PolarHBondContact O-N 3.05Å; F181-N185 PolarHBondContact O-ND2 3.36Å; F181-F211 HydrophobicContact CB-CZ 4.37Å; F181-F211 AromaticContact CD1-CE1 3.69Å; F181-F211 HydrophobicContact CD1-CE1 3.69Å; F181-F211 HydrophobicContact CD1-CE2 4.36Å; F181-F211 AromaticContact CD1-CZ 3.32Å; F181-F211 HydrophobicContact CD1-CZ 3.32Å; F181-F211 AromaticContact CE1-CE1 3.51Å; F181-F211 HydrophobicContact CE1-CE1 3.51Å; F181-F211 AromaticContact CE1-CZ 3.61Å; F181-F211 HydrophobicContact CE1-CZ 3.61Å; F181-F211 AromaticContact CG-CZ 3.89Å; F181-F211 HydrophobicContact CG-CZ 3.89Å; F181-F211 HydrophobicContact CZ-CE1 4.32Å; F181-F211 HydrophobicContact CZ-CZ 4.38Å; F181-V213 HydrophobicContact CE1-CG1 4.35Å; F181-P214 VanDerWaalsContact CD1-CD 3.41Å; F181-P214 HydrophobicContact CD1-CG 4Å; F181-P214 HydrophobicContact CE1-CG 4.17Å
182	V	96.3	Very high	92.3	Very high	82 Å²	82	68.1 Å²	68.1	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-58.2	-48.2	177.7	173.3	0	0	0	0	110.9	F106 Q178 R179 L184 N185	F106-V182 HydrophobicContact CE2-CG2 3.89Å; F106-V182 HydrophobicContact CZ-CG2 4.16Å; Q178-V182 WeakPolarHBondContact O-CG2 3.39Å; Q178-V182 PolarHBondContact O-N 3.1Å; R179-V182 PolarHBondContact O-N 3.27Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L184 PolarHBondContact O-N 3.01Å; V182-N185 CarbonylContact O-C 3.48Å; V182-N185 PolarHBondContact O-N 2.95Å
183	S	96.8	Very high	90.9	Very high	103 Å²	103	68 Å²	68	72%	0.72	38%	0.384	S	S	*	.	H	α-helix	trans	-63.4	-33.7	179.4	-176.9	0	0	0	0	113.3	R179 R180 F181	R179-S183 PolarHBondContact O-N 3.08Å; R180-S183 PolarHBondContact O-N 3.24Å; F181-S183 PolarHBondContact O-N 2.58Å
184	L	97	Very high	89.6	Confident	65 Å²	65	68.6 Å²	68.6	34%	0.34	39%	0.389	S	S	.	.	H	α-helix	trans	-85.9	-17.6	-177	-170	61.8	0	0	0	112.9	R180 F181 V182 R212 P214	R180-L184 VanDerWaalsContact O-CB 3.27Å; R180-L184 WeakPolarHBondContact O-CB 3.47Å; R180-L184 PolarHBondContact O-N 3.14Å; F181-L184 PolarHBondContact O-N 3.39Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L184 PolarHBondContact O-N 3.01Å; L184-R212 HydrophobicContact CD2-CB 3.68Å; L184-R212 HydrophobicContact CG-CB 3.7Å; L184-P214 HydrophobicContact CD2-CB 4.26Å; L184-P214 HydrophobicContact CD2-CG 3.76Å
185	N	96.3	Very high	88.6	Confident	11 Å²	11	69 Å²	69	6%	0.059	39%	0.391	C	S	.	.			trans	-132.3	57	-174.1	-58.4	-83	0	0	0	111.9	F181 V182 D187 W188 R212	F181-N185 VanDerWaalsContact O-CB 3.31Å; F181-N185 WeakPolarHBondContact O-CB 3.38Å; F181-N185 PolarHBondContact O-N 3.05Å; F181-N185 PolarHBondContact O-ND2 3.36Å; V182-N185 CarbonylContact O-C 3.48Å; V182-N185 PolarHBondContact O-N 2.95Å; N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact O-N 2.8Å; N185-W188 HydrophobicContact CB-CB 3.72Å; N185-W188 PolarHBondContact O-N 2.61Å; N185-R212 PolarHBondContact ND2-O 3.47Å; N185-R212 WeakPolarHBondContact OD1-CB 3.3Å; N185-R212 PolarHBondContact OD1-N 3.47Å
186	P	93.5	Very high	87.8	Confident	100 Å²	100	64 Å²	64	65%	0.649	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.7	-170.6	25.4	-35.2	0	0	0	113.7
187	D	90.8	Very high	86.7	Confident	154 Å²	154	60.1 Å²	60.1	82%	0.824	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	1.5	-177.7	-52	-53.1	0	0	0	112.9	N185	N185-D187 VanDerWaalsContact C-N 3.3Å; N185-D187 PolarHBondContact O-N 2.8Å
188	W	89.5	Confident	85.7	Confident	38 Å²	38	61.4 Å²	61.4	14%	0.144	36%	0.358	C	S	.	.			trans	-86.1	122.5	-175.6	-164	92.7	0	0	0	110.4	A103 F106 V107 N185 A190 L203 Q207 F211	A103-W188 HydrophobicContact CB-CH2 4.33Å; A103-W188 HydrophobicContact CB-CZ2 4.14Å; F106-W188 AromaticContact CD1-CE3 3.99Å; F106-W188 HydrophobicContact CD1-CE3 3.99Å; F106-W188 AromaticContact CD1-CZ3 3.67Å; F106-W188 HydrophobicContact CD1-CZ3 3.67Å; F106-W188 AromaticContact CE1-CE3 3.8Å; F106-W188 HydrophobicContact CE1-CE3 3.8Å; F106-W188 AromaticContact CE1-CZ3 3.85Å; F106-W188 HydrophobicContact CE1-CZ3 3.85Å; V107-W188 HydrophobicContact CG2-CH2 3.48Å; V107-W188 VanDerWaalsContact CG2-CH2 3.48Å; V107-W188 HydrophobicContact CG2-CZ3 3.37Å; N185-W188 HydrophobicContact CB-CB 3.72Å; N185-W188 PolarHBondContact O-N 2.61Å; W188-A190 HydrophobicContact CH2-CB 3.5Å; W188-A190 HydrophobicContact CZ2-CB 4.03Å; W188-A190 HydrophobicContact CZ3-CB 3.88Å; W188-L203 HydrophobicContact CH2-CD1 3.75Å; W188-L203 HydrophobicContact CZ2-CD1 4.21Å; W188-Q207 WeakPolarHBondContact CZ2-O 3.44Å; W188-Q207 PolarHBondContact NE1-O 3.33Å; W188-Q207 VanDerWaalsContact NE1-O 3.16Å; W188-F211 AromaticContact CD2-CD2 3.69Å; W188-F211 HydrophobicContact CD2-CD2 3.69Å; W188-F211 HydrophobicContact CD2-CE2 4.36Å; W188-F211 AromaticContact CE2-CD2 3.76Å; W188-F211 HydrophobicContact CE3-CD2 4.03Å; W188-F211 HydrophobicContact CE3-CE2 4.26Å; W188-F211 HydrophobicContact CG-CD2 4.06Å; W188-F211 HydrophobicContact CH2-CD2 4.42Å; W188-F211 HydrophobicContact CZ2-CD2 4.13Å; W188-F211 HydrophobicContact CZ3-CD2 4.38Å
189	S	80.2	Confident	84.6	Confident	112 Å²	112	60.2 Å²	60.2	78%	0.783	35%	0.352	S	S	*	.			trans	-139.6	143.7	172.8	66.8	0	0	0	0	110.6
190	A	81.8	Confident	83.8	Confident	27 Å²	27	54.3 Å²	54.3	22%	0.223	33%	0.331	C	S	.	.			trans	-147.5	145.8	171.1	0	0	0	0	0	108.9	V107 W188 L203	V107-A190 HydrophobicContact CG2-CB 4.18Å; W188-A190 HydrophobicContact CH2-CB 3.5Å; W188-A190 HydrophobicContact CZ2-CB 4.03Å; W188-A190 HydrophobicContact CZ3-CB 3.88Å; A190-L203 HydrophobicContact CB-CD1 4.4Å; A190-L203 HydrophobicContact CB-CD2 3.7Å
191	Q	71.2	Confident	83.1	Confident	179 Å²	179	51.7 Å²	51.7	84%	0.836	32%	0.322	S	S	*	.			trans	-84.3	130.9	174.8	-71.8	179.8	-8.4	0	0	110
192	A	66.4	Low	82.3	Confident	52 Å²	52	55.5 Å²	55.5	43%	0.43	34%	0.338	S	S	.	.			trans	-78.3	134.3	177.8	0	0	0	0	0	111.3	V107 V201	V107-A192 HydrophobicContact CG1-CB 3.39Å; A192-V201 HydrophobicContact CB-CG1 4.21Å
193	G	69.6	Low	81.4	Confident	41 Å²	41	51.7 Å²	51.7	42%	0.423	32%	0.315	S	S	.	.			trans	-81.7	-161.4	155.9	0	0	0	0	0	111.9	V195	G193-V195 PolarHBondContact O-N 2.75Å
194	A	70.2	Confident	80.6	Confident	53 Å²	53	51.5 Å²	51.5	44%	0.438	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-60.9	133.7	176.1	0	0	0	0	0	112.8	R83	R83-A194 PolarHBondContact NH1-O 2.8Å
195	V	77.5	Confident	79.6	Confident	10 Å²	10	50.6 Å²	50.6	6%	0.061	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-79.1	134.6	177.9	180	0	0	0	0	110.9	P68 Q111 F112 G193 D200 V201	P68-V195 WeakPolarHBondContact CG-O 3.34Å; Q111-V195 HydrophobicContact CB-CG2 4.13Å; Q111-V195 HydrophobicContact CG-CG2 4.1Å; F112-V195 HydrophobicContact CB-CG1 4.25Å; F112-V195 HydrophobicContact CD2-CG1 4.24Å; G193-V195 PolarHBondContact O-N 2.75Å; V195-D200 CarbonylContact C-O 3.51Å; V195-D200 WeakPolarHBondContact CA-O 3.44Å; V195-V201 HydrophobicContact CB-CG1 4.27Å; V195-V201 HydrophobicContact CG2-CG1 3.57Å
196	A	81.3	Confident	78.9	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-81.1	172.1	177.4	0	0	0	0	0	112.1	L77 D198 G199 D200	L77-A196 HydrophobicContact CD1-CB 4.26Å; L77-A196 HydrophobicContact CD2-CB 4.18Å; A196-D198 WeakPolarHBondContact CB-OD1 3.4Å; A196-D198 PolarHBondContact O-N 2.7Å; A196-D198 VanDerWaalsContact O-N 3.1Å; A196-G199 PolarHBondContact O-N 3.22Å; A196-G199 VanDerWaalsContact O-N 3.07Å; A196-D200 HydrophobicContact CB-CB 4.07Å; A196-D200 VanDerWaalsContact CB-O 3.29Å; A196-D200 WeakPolarHBondContact CB-O 3.4Å; A196-D200 PolarHBondContact N-O 3.38Å
197	P	74.9	Confident	78.3	Confident	8 Å²	8	55.9 Å²	55.9	5%	0.052	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.1	-175	-18.5	29.9	0	0	0	115	I67 P68 Y70 F112	I67-P197 HydrophobicContact CG2-CB 4.49Å; P68-P197 HydrophobicContact CG-CG 4.22Å; P68-P197 WeakPolarHBondContact O-CB 3.27Å; P68-P197 WeakPolarHBondContact O-CG 3.45Å; Y70-P197 HydrophobicContact CD1-CG 4.02Å; Y70-P197 HydrophobicContact CD2-CB 4.17Å; Y70-P197 HydrophobicContact CD2-CG 4Å; Y70-P197 HydrophobicContact CE1-CB 4.19Å; Y70-P197 HydrophobicContact CE1-CG 3.84Å; Y70-P197 HydrophobicContact CE2-CB 3.56Å; Y70-P197 HydrophobicContact CE2-CG 3.82Å; Y70-P197 HydrophobicContact CG-CG 4.1Å; F112-P197 WeakPolarHBondContact CE2-O 3Å
198	D	77	Confident	78.1	Confident	29 Å²	29	48.6 Å²	48.6	16%	0.155	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	7.6	179.2	62	-9.4	0	0	0	113.3	V141 A196 D200	V141-D198 HydrophobicContact CG2-CB 4.27Å; A196-D198 WeakPolarHBondContact CB-OD1 3.4Å; A196-D198 PolarHBondContact O-N 2.7Å; A196-D198 VanDerWaalsContact O-N 3.1Å; D198-D200 VanDerWaalsContact OD1-CB 3.3Å; D198-D200 WeakPolarHBondContact OD1-CB 3.34Å; D198-D200 PolarHBondContact OD1-N 3.39Å
199	G	74.2	Confident	77.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	87	2.9	-179.1	0	0	0	0	0	114.8	A196	A196-G199 PolarHBondContact O-N 3.22Å; A196-G199 VanDerWaalsContact O-N 3.07Å
200	D	81.1	Confident	78.2	Confident	19 Å²	19	52.6 Å²	52.6	10%	0.102	29%	0.29	C	S	.	.			trans	-70.9	140.6	175.8	-179.4	57.4	0	0	0	112.1	R104 V195 A196 D198	R104-D200 WeakPolarHBondContact CB-OD1 3.15Å; R104-D200 IonicContact CZ-OD1 2.77Å; R104-D200 IonicContact CZ-OD2 3.15Å; R104-D200 IonicContact NE-OD1 3.49Å; R104-D200 PolarHBondContact NE-OD1 3.41Å; R104-D200 IonicContact NE-OD2 2.78Å; R104-D200 PolarHBondContact NE-OD2 2.78Å; R104-D200 IonicContact NH2-OD1 3.32Å; R104-D200 IonicContact NH2-OD2 2.85Å; R104-D200 PolarHBondContact NH2-OD2 3.33Å; V195-D200 CarbonylContact C-O 3.51Å; V195-D200 WeakPolarHBondContact CA-O 3.44Å; A196-D200 HydrophobicContact CB-CB 4.07Å; A196-D200 VanDerWaalsContact CB-O 3.29Å; A196-D200 WeakPolarHBondContact CB-O 3.4Å; A196-D200 PolarHBondContact N-O 3.38Å; D198-D200 VanDerWaalsContact OD1-CB 3.3Å; D198-D200 WeakPolarHBondContact OD1-CB 3.34Å; D198-D200 PolarHBondContact OD1-N 3.39Å
201	V	81.4	Confident	78.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.			trans	-119.3	159.9	168.4	-62.2	0	0	0	0	109.5	R104 V107 A192 V195 L203	R104-V201 HydrophobicContact CB-CG2 4.32Å; R104-V201 VanDerWaalsContact CB-O 3.25Å; R104-V201 WeakPolarHBondContact CB-O 3.48Å; R104-V201 WeakPolarHBondContact CD-O 3.33Å; R104-V201 WeakPolarHBondContact CG-O 3.4Å; R104-V201 VanDerWaalsContact CZ-O 3.3Å; R104-V201 PolarHBondContact NE-O 2.8Å; R104-V201 PolarHBondContact NH2-O 2.89Å; R104-V201 VanDerWaalsContact O-CG2 3.29Å; R104-V201 WeakPolarHBondContact O-CG2 3.06Å; V107-V201 HydrophobicContact CB-CG2 3.76Å; V107-V201 HydrophobicContact CG1-CG2 3.7Å; A192-V201 HydrophobicContact CB-CG1 4.21Å; V195-V201 HydrophobicContact CB-CG1 4.27Å; V195-V201 HydrophobicContact CG2-CG1 3.57Å; V201-L203 HydrophobicContact CG2-CG 4.33Å
202	F	80.9	Confident	80	Confident	80 Å²	80	50.5 Å²	50.5	35%	0.351	27%	0.269	S	S	.	.			trans	-83.3	133.1	173.7	-179.3	-98.7	0	0	0	111	R83 E204	R83-F202 VanDerWaalsContact CZ-CB 3.46Å; F202-E204 HydrophobicContact CE1-CG 4.09Å; F202-E204 WeakPolarHBondContact CE1-OE1 3.14Å; F202-E204 VanDerWaalsContact CZ-CD 3.44Å; F202-E204 HydrophobicContact CZ-CG 4.39Å; F202-E204 WeakPolarHBondContact CZ-OE1 3.48Å; F202-E204 WeakPolarHBondContact CZ-OE2 3.4Å
203	L	77.9	Confident	81.5	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.263	C	S	.	.			trans	-139	140.1	169.1	-64.1	175.5	0	0	0	106.9	A103 R104 V107 W188 A190 V201 Q207 V208	A103-L203 HydrophobicContact CB-CD1 4.4Å; R104-L203 HydrophobicContact CG-CB 3.94Å; R104-L203 HydrophobicContact CG-CD1 3.93Å; R104-L203 HydrophobicContact CG-CG 3.99Å; V107-L203 HydrophobicContact CG2-CD1 4.01Å; W188-L203 HydrophobicContact CH2-CD1 3.75Å; W188-L203 HydrophobicContact CZ2-CD1 4.21Å; A190-L203 HydrophobicContact CB-CD1 4.4Å; A190-L203 HydrophobicContact CB-CD2 3.7Å; V201-L203 HydrophobicContact CG2-CG 4.33Å; L203-Q207 HydrophobicContact CB-CB 4.48Å; L203-V208 HydrophobicContact CB-CG1 3.89Å; L203-V208 HydrophobicContact CD1-CG1 4.05Å
204	E	79.4	Confident	82.8	Confident	99 Å²	99	49 Å²	49	46%	0.463	25%	0.246	S	C	.	.			trans	-67.9	154.8	174	-62.8	-64.6	173.2	0	0	110.9	F202 E206 Q207 V208	F202-E204 HydrophobicContact CE1-CG 4.09Å; F202-E204 WeakPolarHBondContact CE1-OE1 3.14Å; F202-E204 VanDerWaalsContact CZ-CD 3.44Å; F202-E204 HydrophobicContact CZ-CG 4.39Å; F202-E204 WeakPolarHBondContact CZ-OE1 3.48Å; F202-E204 WeakPolarHBondContact CZ-OE2 3.4Å; E204-E206 PolarHBondContact O-N 3.37Å; E204-Q207 HydrophobicContact CB-CG 4.23Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 3.04Å; E204-V208 PolarHBondContact O-N 2.97Å
205	D	77.6	Confident	84.1	Confident	46 Å²	46	49.6 Å²	49.6	25%	0.246	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-34.4	-177.7	-102.8	26.1	0	0	0	111	K96 R100 Q207 V208 L209	K96-D205 WeakPolarHBondContact CE-OD2 3.4Å; K96-D205 IonicContact NZ-OD2 2.76Å; K96-D205 PolarHBondContact NZ-OD2 3.26Å; R100-D205 VanDerWaalsContact CD-OD1 3.27Å; R100-D205 WeakPolarHBondContact CD-OD1 3.24Å; R100-D205 IonicContact CZ-OD1 2.83Å; R100-D205 IonicContact NH1-OD1 3.26Å; R100-D205 PolarHBondContact NH1-OD1 2.85Å; R100-D205 IonicContact NH1-OD2 2.79Å; D205-Q207 PolarHBondContact O-N 3.26Å; D205-V208 WeakPolarHBondContact O-CG2 3.34Å; D205-V208 PolarHBondContact O-N 3.28Å; D205-L209 WeakPolarHBondContact O-CG 3.47Å; D205-L209 PolarHBondContact O-N 2.88Å
206	E	80.5	Confident	85.1	Confident	134 Å²	134	49.5 Å²	49.5	63%	0.626	25%	0.247	S	C	*	.	H	α-helix	trans	-66.2	-35.5	177.4	-65.8	70.6	-153.7	0	0	112.6	E204 V208 L209	E204-E206 PolarHBondContact O-N 3.37Å; E206-V208 PolarHBondContact O-N 3.3Å; E206-L209 HydrophobicContact CB-CD1 4.46Å
207	Q	80.6	Confident	85.8	Confident	88 Å²	88	56.7 Å²	56.7	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-70.5	-24.2	-179.1	-62	179.2	-67	0	0	111.8	W188 L203 E204 D205	W188-Q207 WeakPolarHBondContact CZ2-O 3.44Å; W188-Q207 PolarHBondContact NE1-O 3.33Å; W188-Q207 VanDerWaalsContact NE1-O 3.16Å; L203-Q207 HydrophobicContact CB-CB 4.48Å; E204-Q207 HydrophobicContact CB-CG 4.23Å; E204-Q207 WeakPolarHBondContact O-CB 3.32Å; E204-Q207 PolarHBondContact O-N 3.04Å; D205-Q207 PolarHBondContact O-N 3.26Å
208	V	86.7	Confident	86.9	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-96.3	-10.4	-177.3	-55.6	0	0	0	0	114	Q99 R100 A103 L203 E204 D205 E206 N210 F211	Q99-V208 PolarHBondContact NE2-O 3.18Å; R100-V208 HydrophobicContact CB-CG2 4.15Å; R100-V208 HydrophobicContact CG-CG2 4.31Å; A103-V208 HydrophobicContact CB-CB 3.96Å; A103-V208 HydrophobicContact CB-CG1 3.61Å; L203-V208 HydrophobicContact CB-CG1 3.89Å; L203-V208 HydrophobicContact CD1-CG1 4.05Å; E204-V208 PolarHBondContact O-N 2.97Å; D205-V208 WeakPolarHBondContact O-CG2 3.34Å; D205-V208 PolarHBondContact O-N 3.28Å; E206-V208 PolarHBondContact O-N 3.3Å; V208-N210 PolarHBondContact O-N 2.83Å; V208-N210 VanDerWaalsContact O-N 3.09Å; V208-F211 WeakPolarHBondContact O-CB 3.32Å; V208-F211 PolarHBondContact O-N 2.5Å
209	L	83.5	Confident	87.9	Confident	95 Å²	95	64.9 Å²	64.9	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-39.9	-171.5	-78.3	170.9	0	0	0	114	Q99 D205 E206	Q99-L209 PolarHBondContact NE2-O 2.89Å; D205-L209 WeakPolarHBondContact O-CG 3.47Å; D205-L209 PolarHBondContact O-N 2.88Å; E206-L209 HydrophobicContact CB-CD1 4.46Å
210	N	88.3	Confident	89	Confident	138 Å²	138	67.2 Å²	67.2	74%	0.738	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	3.4	-174.9	-65.2	-37.1	0	0	0	113.9	V208 R212	V208-N210 PolarHBondContact O-N 2.83Å; V208-N210 VanDerWaalsContact O-N 3.09Å; N210-R212 PolarHBondContact O-N 2.98Å
211	F	95.3	Very high	89.8	Confident	1 Å²	1	67.1 Å²	67.1	0%	0.004	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-71	130	179.2	-172.4	-97.4	0	0	0	110.8	Q99 W102 A103 F106 F181 W188 V208 V213	Q99-F211 HydrophobicContact CG-CB 4.25Å; Q99-F211 VanDerWaalsContact CG-O 3.27Å; Q99-F211 WeakPolarHBondContact CG-O 3.26Å; Q99-F211 PolarHBondContact NE2-O 3.32Å; W102-F211 HydrophobicContact CB-CE1 3.95Å; A103-F211 HydrophobicContact CB-CB 3.85Å; A103-F211 HydrophobicContact CB-CD1 3.66Å; A103-F211 HydrophobicContact CB-CD2 3.97Å; A103-F211 HydrophobicContact CB-CE1 4.16Å; A103-F211 HydrophobicContact CB-CE2 4.43Å; A103-F211 HydrophobicContact CB-CG 3.54Å; F106-F211 HydrophobicContact CB-CE2 4.04Å; F106-F211 HydrophobicContact CB-CZ 3.73Å; F106-F211 AromaticContact CD1-CE2 3.75Å; F106-F211 HydrophobicContact CD1-CE2 3.75Å; F106-F211 HydrophobicContact CD1-CZ 4.3Å; F106-F211 HydrophobicContact CE1-CE2 4.39Å; F106-F211 AromaticContact CG-CE2 3.89Å; F106-F211 HydrophobicContact CG-CE2 3.89Å; F106-F211 AromaticContact CG-CZ 3.97Å; F106-F211 HydrophobicContact CG-CZ 3.97Å; F181-F211 HydrophobicContact CB-CZ 4.37Å; F181-F211 AromaticContact CD1-CE1 3.69Å; F181-F211 HydrophobicContact CD1-CE1 3.69Å; F181-F211 HydrophobicContact CD1-CE2 4.36Å; F181-F211 AromaticContact CD1-CZ 3.32Å; F181-F211 HydrophobicContact CD1-CZ 3.32Å; F181-F211 AromaticContact CE1-CE1 3.51Å; F181-F211 HydrophobicContact CE1-CE1 3.51Å; F181-F211 AromaticContact CE1-CZ 3.61Å; F181-F211 HydrophobicContact CE1-CZ 3.61Å; F181-F211 AromaticContact CG-CZ 3.89Å; F181-F211 HydrophobicContact CG-CZ 3.89Å; F181-F211 HydrophobicContact CZ-CE1 4.32Å; F181-F211 HydrophobicContact CZ-CZ 4.38Å; W188-F211 AromaticContact CD2-CD2 3.69Å; W188-F211 HydrophobicContact CD2-CD2 3.69Å; W188-F211 HydrophobicContact CD2-CE2 4.36Å; W188-F211 AromaticContact CE2-CD2 3.76Å; W188-F211 HydrophobicContact CE3-CD2 4.03Å; W188-F211 HydrophobicContact CE3-CE2 4.26Å; W188-F211 HydrophobicContact CG-CD2 4.06Å; W188-F211 HydrophobicContact CH2-CD2 4.42Å; W188-F211 HydrophobicContact CZ2-CD2 4.13Å; W188-F211 HydrophobicContact CZ3-CD2 4.38Å; V208-F211 WeakPolarHBondContact O-CB 3.32Å; V208-F211 PolarHBondContact O-N 2.5Å; F211-V213 HydrophobicContact CD1-CG2 4.12Å; F211-V213 HydrophobicContact CE1-CG2 4.15Å
212	R	96.1	Very high	90.6	Very high	162 Å²	162	70 Å²	70	61%	0.611	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-103.8	131.5	-178.9	-64.6	-179.4	179.4	-175.2	0.4	110.4	L184 N185 N210	L184-R212 HydrophobicContact CD2-CB 3.68Å; L184-R212 HydrophobicContact CG-CB 3.7Å; N185-R212 PolarHBondContact ND2-O 3.47Å; N185-R212 WeakPolarHBondContact OD1-CB 3.3Å; N185-R212 PolarHBondContact OD1-N 3.47Å; N210-R212 PolarHBondContact O-N 2.98Å
213	V	96.8	Very high	91.5	Very high	49 Å²	49	66.5 Å²	66.5	30%	0.297	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-101	120.5	179.5	-176.6	0	0	0	0	110.1	Q99 W102 F181 F211	Q99-V213 HydrophobicContact CB-CG2 4.41Å; W102-V213 HydrophobicContact CB-CG1 4.46Å; W102-V213 HydrophobicContact CB-CG2 3.94Å; W102-V213 VanDerWaalsContact CD1-CG1 3.47Å; W102-V213 HydrophobicContact CG-CG1 4.09Å; W102-V213 HydrophobicContact CG-CG2 4.36Å; F181-V213 HydrophobicContact CE1-CG1 4.35Å; F211-V213 HydrophobicContact CD1-CG2 4.12Å; F211-V213 HydrophobicContact CE1-CG2 4.15Å
214	P	96.9	Very high	92.4	Very high	11 Å²	11	67 Å²	67	7%	0.071	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.2	145	174.3	-19.1	30.3	0	0	0	111.9	L177 R180 F181 L184	L177-P214 HydrophobicContact CD1-CB 4.2Å; L177-P214 HydrophobicContact CD1-CG 4.03Å; R180-P214 HydrophobicContact CB-CB 4.42Å; R180-P214 HydrophobicContact CB-CG 3.99Å; F181-P214 VanDerWaalsContact CD1-CD 3.41Å; F181-P214 HydrophobicContact CD1-CG 4Å; F181-P214 HydrophobicContact CE1-CG 4.17Å; L184-P214 HydrophobicContact CD2-CB 4.26Å; L184-P214 HydrophobicContact CD2-CG 3.76Å
215	S	97.7	Very high	93.3	Very high	66 Å²	66	62.3 Å²	62.3	46%	0.462	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-86.5	169.7	171.4	-62.7	0	0	0	0	111.4	R180 E217 G220	R180-S215 PolarHBondContact NH1-O 2.88Å; R180-S215 PolarHBondContact NH2-O 3.29Å; S215-E217 PolarHBondContact O-N 3.45Å; S215-G220 WeakPolarHBondContact CB-O 3.18Å
216	C	98.3	Very high	94.2	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.061	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.9	134.2	170.9	178	0	0	0	0	111.1	C165 Q218 G220 G221 L223	C165-C216 HydrophobicContact CB-CB 4.08Å; C165-C216 WeakPolarHBondContact SG-CB 3.28Å; C216-Q218 VanDerWaalsContact C-N 3.28Å; C216-Q218 PolarHBondContact O-N 3.43Å; C216-Q218 PolarHBondContact SG-N 2.91Å; C216-Q218 VanDerWaalsContact SG-N 3.36Å; C216-G220 VanDerWaalsContact O-CA 3.25Å; C216-G220 WeakPolarHBondContact O-CA 3.24Å; C216-G220 PolarHBondContact O-N 3.45Å; C216-G221 WeakPolarHBondContact CB-O 3.18Å; C216-G221 PolarHBondContact N-O 3.16Å; C216-L223 HydrophobicContact CB-CD2 3.87Å; C216-L223 HydrophobicContact CB-CG 4.49Å
217	E	97.3	Very high	95	Very high	152 Å²	152	57 Å²	57	71%	0.71	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-20	179.8	-64	179.4	149.5	0	0	112.8	R180 S215	R180-E217 IonicContact CZ-OE1 2.81Å; R180-E217 IonicContact NE-OE1 3.52Å; R180-E217 PolarHBondContact NE-OE1 3.47Å; R180-E217 VanDerWaalsContact NH2-CG 3.28Å; R180-E217 IonicContact NH2-OE1 3.77Å; S215-E217 PolarHBondContact O-N 3.45Å
218	Q	97.3	Very high	95.7	Very high	144 Å²	144	54.6 Å²	54.6	67%	0.673	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-38.3	-179.4	-59.3	-176.4	11	0	0	113	C216	C216-Q218 VanDerWaalsContact C-N 3.28Å; C216-Q218 PolarHBondContact O-N 3.43Å; C216-Q218 PolarHBondContact SG-N 2.91Å; C216-Q218 VanDerWaalsContact SG-N 3.36Å
219	C	98.2	Very high	96	Very high	65 Å²	65	55.1 Å²	55.1	44%	0.439	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	0.6	-171.5	72	0	0	0	0	115.1	C165 C168 G221	C165-C219 PolarHBondContact SG-SG 3.28Å; C168-C219 HydrophobicContact CB-CB 4.15Å; C219-G221 PolarHBondContact O-N 2.73Å; C219-G221 VanDerWaalsContact O-N 3.17Å; C219-G221 PolarHBondContact SG-N 2.87Å; C219-G221 VanDerWaalsContact SG-N 3.36Å
220	G	98	Very high	96.2	Very high	49 Å²	49	54 Å²	54	51%	0.505	29%	0.29	S	S	.	.	S	Bend	trans	70.3	3.1	-174.1	0	0	0	0	0	114.7	S215 C216	S215-G220 WeakPolarHBondContact CB-O 3.18Å; C216-G220 VanDerWaalsContact O-CA 3.25Å; C216-G220 WeakPolarHBondContact O-CA 3.24Å; C216-G220 PolarHBondContact O-N 3.45Å
221	G	97.8	Very high	96.3	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-70.5	170.5	-178.3	0	0	0	0	0	115	C216 C219	C216-G221 WeakPolarHBondContact CB-O 3.18Å; C216-G221 PolarHBondContact N-O 3.16Å; C219-G221 PolarHBondContact O-N 2.73Å; C219-G221 VanDerWaalsContact O-N 3.17Å; C219-G221 PolarHBondContact SG-N 2.87Å; C219-G221 VanDerWaalsContact SG-N 3.36Å
222	I	98.3	Very high	96.1	Very high	60 Å²	60	52.9 Å²	52.9	31%	0.308	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-69.2	131.6	-179.2	-63.5	167	0	0	0	110.6	F91 R98 C165 L166	F91-I222 HydrophobicContact CE1-CG2 4.19Å; R98-I222 VanDerWaalsContact CD-CG2 3.45Å; C165-I222 WeakPolarHBondContact CA-O 3.38Å; L166-I222 HydrophobicContact CB-CB 4.46Å; L166-I222 HydrophobicContact CD1-CB 4.29Å; L166-I222 HydrophobicContact CD1-CG2 3.92Å; L166-I222 HydrophobicContact CG-CG2 4.44Å; L166-I222 PolarHBondContact N-O 3.13Å
223	L	98.4	Very high	96	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.5	171.4	-62.4	178.9	0	0	0	110.7	F91 W102 V163 C165 L177 C216	F91-L223 WeakPolarHBondContact CZ-O 3.35Å; W102-L223 HydrophobicContact CZ2-CB 4.46Å; W102-L223 PolarHBondContact NE1-O 3.27Å; V163-L223 HydrophobicContact CG1-CB 3.89Å; V163-L223 HydrophobicContact CG1-CD1 4.48Å; V163-L223 HydrophobicContact CG1-CD2 4.12Å; V163-L223 HydrophobicContact CG1-CG 4.39Å; C165-L223 HydrophobicContact CB-CD2 4.02Å; L177-L223 HydrophobicContact CD1-CD1 3.78Å; C216-L223 HydrophobicContact CB-CD2 3.87Å; C216-L223 HydrophobicContact CB-CG 4.49Å
224	K	98.1	Very high	95.9	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.9	173.4	-167.6	-178.8	69.9	63.5	0	108.4	F91 V163 T164 L166 E226 V227 F229	F91-K224 HydrophobicContact CD1-CB 4.47Å; F91-K224 HydrophobicContact CD1-CD 4.13Å; F91-K224 HydrophobicContact CD1-CG 3.94Å; F91-K224 HydrophobicContact CE1-CB 3.68Å; F91-K224 HydrophobicContact CE1-CD 4.18Å; F91-K224 HydrophobicContact CE1-CG 3.54Å; F91-K224 HydrophobicContact CZ-CB 4.11Å; F91-K224 HydrophobicContact CZ-CG 3.96Å; V163-K224 CarbonylContact C-O 3.57Å; V163-K224 WeakPolarHBondContact CA-O 3.46Å; V163-K224 WeakPolarHBondContact CG1-O 3.29Å; T164-K224 HydrophobicContact CG2-CB 4.27Å; T164-K224 PolarHBondContact N-O 2.86Å; T164-K224 PolarHBondContact O-N 2.78Å; T164-K224 VanDerWaalsContact O-O 3.1Å; L166-K224 HydrophobicContact CD1-CB 4.33Å; L166-K224 HydrophobicContact CD2-CB 3.92Å; L166-K224 HydrophobicContact CD2-CD 4.1Å; L166-K224 HydrophobicContact CG-CB 4.11Å; K224-E226 PolarHBondContact O-N 3.48Å; K224-V227 PolarHBondContact NZ-O 3.27Å; K224-F229 HydrophobicContact CD-CD2 4.15Å; K224-F229 HydrophobicContact CD-CE2 3.95Å; K224-F229 HydrophobicContact CG-CE2 3.9Å; K224-F229 HydrophobicContact CG-CZ 4.41Å
225	P	97.6	Very high	95.8	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	142.3	162.3	29.1	-40.9	0	0	0	109.5	Y101 W102 V227 F229	Y101-P225 HydrophobicContact CE1-CG 3.67Å; Y101-P225 WeakPolarHBondContact OH-CG 3.29Å; W102-P225 HydrophobicContact CH2-CB 4.19Å; W102-P225 HydrophobicContact CH2-CG 4.45Å; P225-V227 HydrophobicContact CB-CG1 4.39Å; P225-V227 HydrophobicContact CB-CG2 3.88Å; P225-V227 HydrophobicContact CG-CG2 3.73Å; P225-V227 PolarHBondContact O-N 2.89Å; P225-F229 HydrophobicContact CG-CE1 3.9Å; P225-F229 HydrophobicContact CG-CE2 4.34Å; P225-F229 HydrophobicContact CG-CZ 3.46Å; P225-F229 VanDerWaalsContact CG-CZ 3.46Å
226	E	97.6	Very high	95.7	Very high	53 Å²	53	57.3 Å²	57.3	25%	0.248	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	62.6	175.8	-164.1	-86.1	139.3	0	0	109.1	G158 C159 R162 T164 K224	G158-E226 CarbonylContact C-O 3.56Å; G158-E226 VanDerWaalsContact CA-O 3.26Å; G158-E226 WeakPolarHBondContact CA-O 3.19Å; C159-E226 PolarHBondContact N-O 3.39Å; R162-E226 HydrophobicContact CB-CB 3.74Å; R162-E226 HydrophobicContact CB-CG 4.5Å; R162-E226 IonicContact CZ-OE2 3.67Å; R162-E226 IonicContact NE-OE2 2.69Å; R162-E226 PolarHBondContact NE-OE2 3.06Å; R162-E226 IonicContact NH2-OE2 3.62Å; R162-E226 PolarHBondContact NH2-OE2 2.91Å; R162-E226 PolarHBondContact O-N 3.33Å; T164-E226 HydrophobicContact CG2-CB 4.27Å; T164-E226 HydrophobicContact CG2-CG 4.4Å; K224-E226 PolarHBondContact O-N 3.48Å
227	V	96.3	Very high	95.7	Very high	14 Å²	14	60.3 Å²	60.3	9%	0.085	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.9	176.5	-57.4	0	0	0	0	110.4	V141 H157 A160 K224 P225 F229	V141-V227 HydrophobicContact CB-CG1 3.92Å; V141-V227 HydrophobicContact CG1-CB 4.2Å; V141-V227 HydrophobicContact CG1-CG1 3.82Å; V141-V227 HydrophobicContact CG2-CG1 4.45Å; H157-V227 CarbonylContact O-C 3.53Å; H157-V227 WeakPolarHBondContact O-CA 3.26Å; A160-V227 HydrophobicContact CB-CG1 4.3Å; K224-V227 PolarHBondContact NZ-O 3.27Å; P225-V227 HydrophobicContact CB-CG1 4.39Å; P225-V227 HydrophobicContact CB-CG2 3.88Å; P225-V227 HydrophobicContact CG-CG2 3.73Å; P225-V227 PolarHBondContact O-N 2.89Å; V227-F229 HydrophobicContact CG2-CD1 3.74Å; V227-F229 HydrophobicContact CG2-CE1 3.49Å; V227-F229 VanDerWaalsContact CG2-CE1 3.49Å; V227-F229 HydrophobicContact CG2-CZ 4.3Å; V227-F229 PolarHBondContact O-N 3.5Å
228	T	95.6	Very high	95.7	Very high	38 Å²	38	55 Å²	55	23%	0.233	34%	0.336	C	S	.	.			trans	-79.1	107.6	173.1	-56.2	0	0	0	0	108.7	H157 D232 V234	H157-T228 PolarHBondContact O-N 3.33Å; T228-D232 HydrophobicContact CG2-CB 3.87Å; T228-V234 HydrophobicContact CG2-CG2 4.22Å
229	F	93	Very high	95.7	Very high	13 Å²	13	49.2 Å²	49.2	6%	0.057	31%	0.31	C	S	.	.			trans	-73.2	166.2	176.3	-75	-29.6	0	0	0	112	M86 H88 F91 Y101 K224 P225 V227 G231 D232	M86-F229 HydrophobicContact CB-CE1 4.42Å; M86-F229 HydrophobicContact CB-CZ 4.5Å; M86-F229 HydrophobicContact CG-CD2 4.16Å; M86-F229 HydrophobicContact CG-CE1 4.45Å; M86-F229 HydrophobicContact CG-CE2 3.93Å; M86-F229 HydrophobicContact CG-CZ 4.08Å; H88-F229 HydrophobicContact CB-CB 4.05Å; F91-F229 HydrophobicContact CB-CD2 4.16Å; F91-F229 HydrophobicContact CB-CE2 3.87Å; F91-F229 HydrophobicContact CD1-CE2 4.16Å; F91-F229 AromaticContact CD2-CE2 3.68Å; F91-F229 HydrophobicContact CD2-CE2 3.68Å; F91-F229 HydrophobicContact CD2-CZ 4.19Å; F91-F229 HydrophobicContact CE2-CE2 4.25Å; F91-F229 HydrophobicContact CE2-CZ 4.49Å; F91-F229 HydrophobicContact CG-CD2 4.35Å; F91-F229 AromaticContact CG-CE2 3.63Å; F91-F229 HydrophobicContact CG-CE2 3.63Å; Y101-F229 HydrophobicContact CD2-CZ 4.26Å; Y101-F229 HydrophobicContact CE1-CZ 4.18Å; Y101-F229 AromaticContact CE2-CE1 3.88Å; Y101-F229 HydrophobicContact CE2-CE1 3.88Å; Y101-F229 AromaticContact CE2-CZ 3.75Å; Y101-F229 HydrophobicContact CE2-CZ 3.75Å; Y101-F229 AromaticContact CZ-CE1 3.97Å; Y101-F229 AromaticContact CZ-CZ 3.72Å; K224-F229 HydrophobicContact CD-CD2 4.15Å; K224-F229 HydrophobicContact CD-CE2 3.95Å; K224-F229 HydrophobicContact CG-CE2 3.9Å; K224-F229 HydrophobicContact CG-CZ 4.41Å; P225-F229 HydrophobicContact CG-CE1 3.9Å; P225-F229 HydrophobicContact CG-CE2 4.34Å; P225-F229 HydrophobicContact CG-CZ 3.46Å; P225-F229 VanDerWaalsContact CG-CZ 3.46Å; V227-F229 HydrophobicContact CG2-CD1 3.74Å; V227-F229 HydrophobicContact CG2-CE1 3.49Å; V227-F229 VanDerWaalsContact CG2-CE1 3.49Å; V227-F229 HydrophobicContact CG2-CZ 4.3Å; V227-F229 PolarHBondContact O-N 3.5Å; F229-G231 PolarHBondContact O-N 2.77Å; F229-D232 WeakPolarHBondContact O-CB 3.26Å; F229-D232 PolarHBondContact O-N 3.42Å
230	F	87.8	Confident	95.7	Very high	70 Å²	70	51.3 Å²	51.3	31%	0.307	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-63.9	135.7	170.6	-76	-103.6	0	0	0	110.1	P85 Q87 H88 D232	P85-F230 HydrophobicContact CB-CD2 3.26Å; P85-F230 HydrophobicContact CB-CE2 3.45Å; P85-F230 VanDerWaalsContact CB-CE2 3.45Å; P85-F230 HydrophobicContact CB-CG 4Å; P85-F230 HydrophobicContact CB-CZ 4.3Å; P85-F230 HydrophobicContact CG-CD2 3.66Å; P85-F230 HydrophobicContact CG-CE1 4.34Å; P85-F230 HydrophobicContact CG-CE2 3.41Å; P85-F230 VanDerWaalsContact CG-CE2 3.41Å; P85-F230 HydrophobicContact CG-CG 4.23Å; P85-F230 HydrophobicContact CG-CZ 3.78Å; Q87-F230 WeakPolarHBondContact CA-O 3.37Å; H88-F230 PolarHBondContact N-O 2.81Å; F230-D232 PolarHBondContact O-N 3.26Å
231	G	89.2	Confident	95.7	Very high	65 Å²	65	52.5 Å²	52.5	67%	0.67	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-3.8	-171.6	0	0	0	0	0	114.7	F229	F229-G231 PolarHBondContact O-N 2.77Å
232	D	92.7	Very high	95.7	Very high	51 Å²	51	52 Å²	52	27%	0.273	30%	0.298	S	S	.	.			trans	-88.6	169.8	168.6	-151.7	-15.6	0	0	0	111	H88 T228 F229 F230	H88-D232 HydrophobicContact CB-CB 3.85Å; H88-D232 IonicContact CE1-OD1 3.96Å; H88-D232 IonicContact CE1-OD2 2.9Å; H88-D232 PolarHBondContact CE1-OD2 2.94Å; H88-D232 IonicContact CG-OD2 2.75Å; H88-D232 VanDerWaalsContact ND1-CG 3.27Å; H88-D232 IonicContact ND1-OD1 3.9Å; H88-D232 IonicContact ND1-OD2 2.76Å; H88-D232 PolarHBondContact ND1-OD2 2.74Å; T228-D232 HydrophobicContact CG2-CB 3.87Å; F229-D232 WeakPolarHBondContact O-CB 3.26Å; F229-D232 PolarHBondContact O-N 3.42Å; F230-D232 PolarHBondContact O-N 3.26Å
233	T	93.4	Very high	95.7	Very high	116 Å²	116	53.6 Å²	53.6	71%	0.712	30%	0.304	S	S	*	.			trans	-118.4	137	175.3	58.4	0	0	0	0	111.4	A235	T233-A235 PolarHBondContact O-N 2.9Å
234	V	95.4	Very high	95.7	Very high	21 Å²	21	57.2 Å²	57.2	13%	0.127	32%	0.321	C	S	.	.			trans	-58.3	136	169.6	-179	0	0	0	0	109.3	L156 T228 K236 T238 V239	L156-V234 HydrophobicContact CD1-CG1 3.94Å; L156-V234 HydrophobicContact CD1-CG2 4.41Å; L156-V234 HydrophobicContact CG-CG2 4.27Å; L156-V234 WeakPolarHBondContact O-CG1 3.25Å; L156-V234 WeakPolarHBondContact O-CG2 3.25Å; T228-V234 HydrophobicContact CG2-CG2 4.22Å; V234-K236 PolarHBondContact O-N 2.86Å; V234-T238 HydrophobicContact CG1-CG2 4.01Å; V234-V239 HydrophobicContact CB-CG2 4.01Å; V234-V239 HydrophobicContact CG1-CG2 3.82Å
235	A	94.4	Very high	95.8	Very high	56 Å²	56	58.9 Å²	58.9	46%	0.463	33%	0.327	S	S	.	.			trans	-53.2	135.5	179.6	0	0	0	0	0	111.6	T233 A237 T238 V239	T233-A235 PolarHBondContact O-N 2.9Å; A235-A237 VanDerWaalsContact C-N 3.27Å; A235-A237 PolarHBondContact O-N 3.21Å; A235-T238 WeakPolarHBondContact O-CB 3.5Å; A235-T238 PolarHBondContact O-N 3.45Å; A235-V239 PolarHBondContact O-N 3.5Å
236	K	95.7	Very high	95.8	Very high	188 Å²	188	59 Å²	59	82%	0.817	33%	0.327	S	S	*	.	H	α-helix	trans	-56.6	-41.1	-177.1	-69.3	-176.5	179.9	178.6	0	112.4	V234 T238 V239 Q240	V234-K236 PolarHBondContact O-N 2.86Å; K236-T238 VanDerWaalsContact C-N 3.34Å; K236-T238 PolarHBondContact O-N 3.4Å; K236-V239 PolarHBondContact O-N 2.82Å; K236-Q240 WeakPolarHBondContact O-CB 3.38Å; K236-Q240 PolarHBondContact O-N 3.14Å
237	A	97	Very high	95.9	Very high	72 Å²	72	59.2 Å²	59.2	60%	0.595	34%	0.338	S	S	*	.	H	α-helix	trans	-59.9	-42.6	176.7	0	0	0	0	0	112	A235 Q240 F241	A235-A237 VanDerWaalsContact C-N 3.27Å; A235-A237 PolarHBondContact O-N 3.21Å; A237-Q240 PolarHBondContact O-N 2.93Å; A237-F241 VanDerWaalsContact O-CB 3.29Å; A237-F241 WeakPolarHBondContact O-CB 3.34Å; A237-F241 PolarHBondContact O-N 2.89Å
238	T	97.8	Very high	96	Very high	42 Å²	42	62.3 Å²	62.3	26%	0.258	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-44.5	175.6	-53.1	0	0	0	0	111.4	T154 V234 A235 K236 F241 V242	T154-T238 HydrophobicContact CG2-CG2 3.54Å; V234-T238 HydrophobicContact CG1-CG2 4.01Å; A235-T238 WeakPolarHBondContact O-CB 3.5Å; A235-T238 PolarHBondContact O-N 3.45Å; K236-T238 VanDerWaalsContact C-N 3.34Å; K236-T238 PolarHBondContact O-N 3.4Å; T238-F241 PolarHBondContact O-N 3.39Å; T238-V242 WeakPolarHBondContact O-CB 3.46Å; T238-V242 VanDerWaalsContact O-CG2 3.31Å; T238-V242 WeakPolarHBondContact O-CG2 3.49Å; T238-V242 PolarHBondContact O-N 3.07Å
239	V	97.4	Very high	96.1	Very high	22 Å²	22	61 Å²	61	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-46.4	177.4	174.6	0	0	0	0	111.2	V234 A235 K236 V242 Q243	V234-V239 HydrophobicContact CB-CG2 4.01Å; V234-V239 HydrophobicContact CG1-CG2 3.82Å; A235-V239 PolarHBondContact O-N 3.5Å; K236-V239 PolarHBondContact O-N 2.82Å; V239-V242 PolarHBondContact O-N 3.1Å; V239-Q243 WeakPolarHBondContact O-CG 3.38Å; V239-Q243 PolarHBondContact O-N 3.36Å
240	Q	97.9	Very high	96.4	Very high	109 Å²	109	62.5 Å²	62.5	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-47.8	178.4	179.7	-178.4	-16.4	0	0	110.8	K236 A237 V242 Q243 E244	K236-Q240 WeakPolarHBondContact O-CB 3.38Å; K236-Q240 PolarHBondContact O-N 3.14Å; A237-Q240 PolarHBondContact O-N 2.93Å; Q240-V242 VanDerWaalsContact C-N 3.32Å; Q240-V242 PolarHBondContact O-N 3.22Å; Q240-Q243 WeakPolarHBondContact O-CA 3.47Å; Q240-Q243 WeakPolarHBondContact O-CB 3.45Å; Q240-Q243 PolarHBondContact O-N 3.41Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.4Å; Q240-E244 PolarHBondContact NE2-OE1 3.34Å; Q240-E244 WeakPolarHBondContact O-CG 3.41Å; Q240-E244 PolarHBondContact O-N 2.77Å
241	F	98.5	Very high	96.9	Very high	73 Å²	73	59.4 Å²	59.4	32%	0.32	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-42.6	178	-178.8	-98.3	0	0	0	111.9	W135 A237 T238 Q243 E244 R245	W135-F241 AromaticContact CE2-CE1 3.63Å; W135-F241 HydrophobicContact CH2-CE1 4.03Å; W135-F241 AromaticContact CH2-CZ 3.78Å; W135-F241 HydrophobicContact CH2-CZ 3.78Å; W135-F241 AromaticContact CZ2-CE1 3.33Å; W135-F241 HydrophobicContact CZ2-CE1 3.33Å; W135-F241 AromaticContact CZ2-CZ 3.59Å; W135-F241 HydrophobicContact CZ2-CZ 3.59Å; W135-F241 HydrophobicContact CZ3-CZ 4.48Å; W135-F241 AromaticContact NE1-CE1 3.86Å; A237-F241 VanDerWaalsContact O-CB 3.29Å; A237-F241 WeakPolarHBondContact O-CB 3.34Å; A237-F241 PolarHBondContact O-N 2.89Å; T238-F241 PolarHBondContact O-N 3.39Å; F241-Q243 VanDerWaalsContact C-N 3.3Å; F241-Q243 PolarHBondContact O-N 2.76Å; F241-E244 PolarHBondContact O-N 3.32Å; F241-R245 HydrophobicContact CD1-CG 4.11Å; F241-R245 HydrophobicContact CE1-CG 3.68Å; F241-R245 HydrophobicContact CE2-CG 4.33Å; F241-R245 HydrophobicContact CZ-CG 3.82Å; F241-R245 WeakPolarHBondContact O-CG 3.48Å; F241-R245 PolarHBondContact O-N 2.83Å
242	V	98.6	Very high	97.3	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.036	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-40.9	173.5	164.3	0	0	0	0	111.8	F54 V137 T154 L156 T238 V239 Q240 L246 V267	F54-V242 HydrophobicContact CZ-CG1 4.16Å; V137-V242 HydrophobicContact CG1-CG2 4.39Å; V137-V242 HydrophobicContact CG2-CG1 4.09Å; V137-V242 HydrophobicContact CG2-CG2 3.85Å; T154-V242 HydrophobicContact CG2-CG2 3.75Å; L156-V242 HydrophobicContact CD1-CG2 4.44Å; T238-V242 WeakPolarHBondContact O-CB 3.46Å; T238-V242 VanDerWaalsContact O-CG2 3.31Å; T238-V242 WeakPolarHBondContact O-CG2 3.49Å; T238-V242 PolarHBondContact O-N 3.07Å; V239-V242 PolarHBondContact O-N 3.1Å; Q240-V242 VanDerWaalsContact C-N 3.32Å; Q240-V242 PolarHBondContact O-N 3.22Å; V242-L246 VanDerWaalsContact O-CB 3.3Å; V242-L246 WeakPolarHBondContact O-CB 3.49Å; V242-L246 PolarHBondContact O-N 2.68Å; V242-V267 HydrophobicContact CG1-CG2 4.07Å
243	Q	98.2	Very high	97.6	Very high	95 Å²	95	53.9 Å²	53.9	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-38.7	177.3	-72	177.2	-28.8	0	0	112.5	V239 Q240 F241 L246 A247	V239-Q243 WeakPolarHBondContact O-CG 3.38Å; V239-Q243 PolarHBondContact O-N 3.36Å; Q240-Q243 WeakPolarHBondContact O-CA 3.47Å; Q240-Q243 WeakPolarHBondContact O-CB 3.45Å; Q240-Q243 PolarHBondContact O-N 3.41Å; F241-Q243 VanDerWaalsContact C-N 3.3Å; F241-Q243 PolarHBondContact O-N 2.76Å; Q243-L246 PolarHBondContact O-N 2.77Å; Q243-A247 WeakPolarHBondContact O-CB 3.31Å; Q243-A247 PolarHBondContact O-N 3.42Å
244	E	98.5	Very high	97.9	Very high	83 Å²	83	48.3 Å²	48.3	39%	0.388	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-49.2	175.2	-69.9	167	-172.5	0	0	110.9	Q240 F241 L246 A247 E248	Q240-E244 WeakPolarHBondContact CG-OE1 3.4Å; Q240-E244 PolarHBondContact NE2-OE1 3.34Å; Q240-E244 WeakPolarHBondContact O-CG 3.41Å; Q240-E244 PolarHBondContact O-N 2.77Å; F241-E244 PolarHBondContact O-N 3.32Å; E244-L246 VanDerWaalsContact C-N 3.31Å; E244-L246 PolarHBondContact O-N 2.96Å; E244-A247 WeakPolarHBondContact O-CB 3.43Å; E244-A247 PolarHBondContact O-N 3.49Å; E244-A247 VanDerWaalsContact O-N 3.13Å; E244-E248 PolarHBondContact O-N 3.01Å
245	R	98.7	Very high	98	Very high	48 Å²	48	47.3 Å²	47.3	18%	0.181	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-38.5	175.5	-62	-59.1	103.7	-148.3	-7	111.9	F54 H134 W135 F241 A247 E248 A249	F54-R245 HydrophobicContact CE2-CB 3.87Å; H134-R245 PolarHBondContact CD2-O 3.04Å; H134-R245 PolarHBondContact NE2-O 3.06Å; W135-R245 HydrophobicContact CB-CB 4.01Å; W135-R245 HydrophobicContact CB-CG 4.44Å; W135-R245 HydrophobicContact CD2-CB 4.23Å; W135-R245 HydrophobicContact CD2-CG 3.67Å; W135-R245 HydrophobicContact CE3-CG 4.16Å; W135-R245 HydrophobicContact CG-CB 3.77Å; W135-R245 HydrophobicContact CG-CG 3.75Å; F241-R245 HydrophobicContact CD1-CG 4.11Å; F241-R245 HydrophobicContact CE1-CG 3.68Å; F241-R245 HydrophobicContact CE2-CG 4.33Å; F241-R245 HydrophobicContact CZ-CG 3.82Å; F241-R245 WeakPolarHBondContact O-CG 3.48Å; F241-R245 PolarHBondContact O-N 2.83Å; R245-A247 VanDerWaalsContact C-N 3.32Å; R245-A247 PolarHBondContact O-N 3.02Å; R245-E248 IonicContact CZ-OE1 2.7Å; R245-E248 IonicContact CZ-OE2 3.07Å; R245-E248 IonicContact NH1-OE1 3.95Å; R245-E248 PolarHBondContact NH1-OE1 2.7Å; R245-E248 IonicContact NH1-OE2 3.13Å; R245-E248 PolarHBondContact NH1-OE2 2.98Å; R245-E248 IonicContact NH2-OE1 2.72Å; R245-E248 PolarHBondContact NH2-OE1 2.76Å; R245-E248 IonicContact NH2-OE2 2.71Å; R245-E248 PolarHBondContact O-N 3.29Å; R245-A249 PolarHBondContact O-N 3.31Å
246	L	98.7	Very high	98.2	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-36.6	175.6	179.9	65.2	0	0	0	111.7	F54 V242 Q243 E244 E248 A249 V252 V267 A270 A271 M276	F54-L246 HydrophobicContact CB-CD1 4.29Å; F54-L246 HydrophobicContact CD1-CD1 4.02Å; F54-L246 HydrophobicContact CD2-CB 4.25Å; F54-L246 HydrophobicContact CD2-CD1 4.12Å; F54-L246 HydrophobicContact CE1-CD1 4.36Å; F54-L246 HydrophobicContact CE2-CB 3.94Å; F54-L246 HydrophobicContact CE2-CD1 4.44Å; F54-L246 HydrophobicContact CG-CD1 3.88Å; F54-L246 HydrophobicContact CZ-CB 4.22Å; V242-L246 VanDerWaalsContact O-CB 3.3Å; V242-L246 WeakPolarHBondContact O-CB 3.49Å; V242-L246 PolarHBondContact O-N 2.68Å; Q243-L246 PolarHBondContact O-N 2.77Å; E244-L246 VanDerWaalsContact C-N 3.31Å; E244-L246 PolarHBondContact O-N 2.96Å; L246-E248 PolarHBondContact O-N 3.07Å; L246-A249 PolarHBondContact O-N 2.78Å; L246-V252 HydrophobicContact CD1-CG2 3.72Å; L246-V267 HydrophobicContact CD2-CG1 4.12Å; L246-A270 HydrophobicContact CD2-CB 3.9Å; L246-A271 HydrophobicContact CD1-CB 4.35Å; L246-A271 HydrophobicContact CD2-CB 4.44Å; L246-M276 HydrophobicContact CD1-CE 3.98Å; L246-M276 HydrophobicContact CD1-SD 4.06Å; L246-M276 HydrophobicContact CG-SD 4.36Å
247	A	98.3	Very high	98.3	Very high	57 Å²	57	36.2 Å²	36.2	47%	0.471	20%	0.198	S	C	.	.	H	α-helix	trans	-65.7	-24.2	178.7	0	0	0	0	0	113.6	Q243 E244 R245 K274	Q243-A247 WeakPolarHBondContact O-CB 3.31Å; Q243-A247 PolarHBondContact O-N 3.42Å; E244-A247 WeakPolarHBondContact O-CB 3.43Å; E244-A247 PolarHBondContact O-N 3.49Å; E244-A247 VanDerWaalsContact O-N 3.13Å; R245-A247 VanDerWaalsContact C-N 3.32Å; R245-A247 PolarHBondContact O-N 3.02Å; A247-K274 VanDerWaalsContact CB-NZ 3.28Å
248	E	98.4	Very high	98.3	Very high	79 Å²	79	34.1 Å²	34.1	37%	0.369	18%	0.18	S	C	.	.	H	α-helix	trans	-84.5	-16.7	176.3	-67.2	175.6	-157.8	0	0	112.8	R52 H134 E244 R245 L246	R52-E248 WeakPolarHBondContact CD-O 3.5Å; R52-E248 PolarHBondContact NE-O 3.06Å; H134-E248 IonicContact CE1-OE2 3.17Å; H134-E248 PolarHBondContact CE1-OE2 2.95Å; H134-E248 IonicContact NE2-OE2 2.69Å; E244-E248 PolarHBondContact O-N 3.01Å; R245-E248 IonicContact CZ-OE1 2.7Å; R245-E248 IonicContact CZ-OE2 3.07Å; R245-E248 IonicContact NH1-OE1 3.95Å; R245-E248 PolarHBondContact NH1-OE1 2.7Å; R245-E248 IonicContact NH1-OE2 3.13Å; R245-E248 PolarHBondContact NH1-OE2 2.98Å; R245-E248 IonicContact NH2-OE1 2.72Å; R245-E248 PolarHBondContact NH2-OE1 2.76Å; R245-E248 IonicContact NH2-OE2 2.71Å; R245-E248 PolarHBondContact O-N 3.29Å; L246-E248 PolarHBondContact O-N 3.07Å
249	A	98.6	Very high	98.3	Very high	11 Å²	11	32.2 Å²	32.2	9%	0.091	17%	0.168	C	C	.	.			trans	-81.1	164.4	-177.7	0	0	0	0	0	113.4	R52 F54 R245 L246 M276	R52-A249 VanDerWaalsContact O-CA 3.31Å; R52-A249 WeakPolarHBondContact O-CA 3.36Å; R52-A249 VanDerWaalsContact O-CB 3.24Å; R52-A249 WeakPolarHBondContact O-CB 3.15Å; F54-A249 HydrophobicContact CB-CB 3.62Å; F54-A249 HydrophobicContact CD2-CB 4.19Å; F54-A249 HydrophobicContact CG-CB 4.36Å; R245-A249 PolarHBondContact O-N 3.31Å; L246-A249 PolarHBondContact O-N 2.78Å; A249-M276 HydrophobicContact CB-CE 3.84Å; A249-M276 WeakPolarHBondContact O-CE 3.25Å
250	D	98.4	Very high	98.2	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.241	18%	0.182	C	C	.	.	S	Bend	trans	-119.4	-9.3	177.9	59.8	14.7	0	0	0	114.5	S50 R51 R52 P277	S50-D250 WeakPolarHBondContact CA-OD1 3.49Å; S50-D250 WeakPolarHBondContact CB-OD1 3.35Å; S50-D250 PolarHBondContact OG-OD1 3.25Å; R51-D250 WeakPolarHBondContact CA-OD2 3.47Å; R51-D250 WeakPolarHBondContact CB-OD2 3.24Å; R51-D250 PolarHBondContact N-OD1 3.17Å; R51-D250 PolarHBondContact N-OD2 3.32Å; R52-D250 PolarHBondContact N-OD1 3.39Å; R52-D250 VanDerWaalsContact N-OD1 3.08Å; R52-D250 PolarHBondContact N-OD2 2.96Å; R52-D250 PolarHBondContact O-N 3.46Å; R52-D250 VanDerWaalsContact O-N 3.11Å; D250-P277 WeakPolarHBondContact O-CD 3.3Å
251	A	98.6	Very high	97.9	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.033	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158	173.2	0	0	0	0	0	110.7	F46 L53 F54 P277	F46-A251 HydrophobicContact CE1-CB 4.09Å; F46-A251 HydrophobicContact CZ-CB 3.82Å; L53-A251 HydrophobicContact CD1-CB 3.88Å; F54-A251 WeakPolarHBondContact CB-O 3.28Å; F54-A251 PolarHBondContact N-O 3.14Å; A251-P277 WeakPolarHBondContact CA-O 3.43Å; A251-P277 HydrophobicContact CB-CB 4.46Å
252	V	98.9	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.3	174.8	-174.9	0	0	0	0	111.2	F46 F54 V56 L246 L268 A271 M276 P277 I278 A279	F46-V252 WeakPolarHBondContact CZ-O 3.42Å; F54-V252 HydrophobicContact CB-CG2 4.27Å; F54-V252 HydrophobicContact CD1-CG1 4.39Å; F54-V252 CarbonylContact O-C 3.53Å; F54-V252 VanDerWaalsContact O-CA 3.27Å; F54-V252 WeakPolarHBondContact O-CA 3.42Å; V56-V252 HydrophobicContact CG2-CG1 4.16Å; L246-V252 HydrophobicContact CD1-CG2 3.72Å; V252-L268 HydrophobicContact CB-CD1 4.41Å; V252-L268 HydrophobicContact CG1-CD1 3.67Å; V252-A271 HydrophobicContact CG2-CB 3.63Å; V252-M276 HydrophobicContact CG2-CE 4.06Å; V252-P277 PolarHBondContact N-O 3.06Å; V252-I278 HydrophobicContact CB-CG1 4.21Å; V252-I278 CarbonylContact O-C 3.6Å; V252-I278 WeakPolarHBondContact O-CA 3.27Å; V252-A279 PolarHBondContact O-N 3.48Å
253	L	98.9	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.6	170.7	176.9	61.1	0	0	0	110.3	L43 L53 F54 V55 V56 W127 I255 A279	L43-L253 HydrophobicContact CD1-CD1 4.03Å; L53-L253 HydrophobicContact CD1-CB 4.07Å; L53-L253 HydrophobicContact CD2-CB 4.16Å; L53-L253 HydrophobicContact CD2-CD2 4.09Å; L53-L253 HydrophobicContact CG-CB 4.29Å; F54-L253 PolarHBondContact O-N 3.19Å; V55-L253 CarbonylContact C-O 3.01Å; V55-L253 WeakPolarHBondContact CA-O 3.42Å; V56-L253 PolarHBondContact N-O 3.07Å; W127-L253 HydrophobicContact CH2-CD2 4.27Å; W127-L253 HydrophobicContact CZ3-CD2 3.9Å; L253-I255 HydrophobicContact CD1-CG1 4.4Å; L253-I255 HydrophobicContact CD2-CD1 3.81Å; L253-I255 HydrophobicContact CD2-CG1 4.13Å; L253-I255 HydrophobicContact CG-CD1 3.99Å; L253-I255 HydrophobicContact CG-CG1 3.78Å; L253-A279 WeakPolarHBondContact CA-O 3.29Å; L253-A279 HydrophobicContact CD1-CB 3.92Å
254	V	98.9	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.9	173.2	-175.3	0	0	0	0	109.5	V56 L259 L268 A279 I280 L281	V56-V254 HydrophobicContact CB-CG2 4.45Å; V56-V254 CarbonylContact O-C 3.47Å; V56-V254 VanDerWaalsContact O-CA 3.32Å; V56-V254 WeakPolarHBondContact O-CA 3.49Å; V254-L259 HydrophobicContact CG1-CD1 3.88Å; V254-L259 HydrophobicContact CG1-CD2 4.38Å; V254-L259 HydrophobicContact CG1-CG 4.18Å; V254-L259 HydrophobicContact CG2-CD1 4.09Å; V254-L268 HydrophobicContact CG2-CD1 3.58Å; V254-L268 HydrophobicContact CG2-CD2 4.17Å; V254-L268 HydrophobicContact CG2-CG 4.06Å; V254-A279 PolarHBondContact N-O 3.26Å; V254-I280 HydrophobicContact CB-CB 4.49Å; V254-I280 HydrophobicContact CB-CG1 4.11Å; V254-I280 HydrophobicContact CB-CG2 4.39Å; V254-I280 HydrophobicContact CG2-CG1 4.26Å; V254-L281 PolarHBondContact O-N 2.87Å
255	I	98.8	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.6	-177.8	-46.4	175.3	0	0	0	110.3	V55 V56 T57 G58 L61 L124 L253 S257 L281 C300 L304	V55-I255 HydrophobicContact CG1-CD1 3.7Å; V55-I255 HydrophobicContact CG1-CG1 4.26Å; V56-I255 PolarHBondContact O-N 2.87Å; T57-I255 WeakPolarHBondContact CA-O 3.25Å; T57-I255 HydrophobicContact CG2-CB 4.38Å; G58-I255 PolarHBondContact N-O 3.06Å; G58-I255 VanDerWaalsContact N-O 3.1Å; L61-I255 HydrophobicContact CD1-CB 4.15Å; L61-I255 HydrophobicContact CD1-CG2 3.74Å; L124-I255 HydrophobicContact CD1-CD1 4.05Å; L124-I255 HydrophobicContact CD2-CD1 3.82Å; L124-I255 HydrophobicContact CG-CD1 4.45Å; L253-I255 HydrophobicContact CD1-CG1 4.4Å; L253-I255 HydrophobicContact CD2-CD1 3.81Å; L253-I255 HydrophobicContact CD2-CG1 4.13Å; L253-I255 HydrophobicContact CG-CD1 3.99Å; L253-I255 HydrophobicContact CG-CG1 3.78Å; I255-S257 PolarHBondContact O-N 2.96Å; I255-L281 WeakPolarHBondContact CA-O 3.17Å; I255-L281 HydrophobicContact CG2-CB 4.44Å; I255-L281 HydrophobicContact CG2-CD2 4.14Å; I255-L281 HydrophobicContact CG2-CG 4.31Å; I255-C300 HydrophobicContact CG2-CB 3.97Å; I255-C300 WeakPolarHBondContact CG2-SG 3.33Å; I255-L304 HydrophobicContact CD1-CD1 4.04Å; I255-L304 HydrophobicContact CD1-CD2 4.34Å; I255-L304 HydrophobicContact CG2-CD1 4.29Å
256	G	98	Very high	97.3	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	63.5	35.7	171.8	0	0	0	0	0	114.3	G58 A59 G60 L281 N282	G58-G256 CarbonylContact C-O 3.59Å; G58-G256 VanDerWaalsContact CA-O 3.29Å; G58-G256 WeakPolarHBondContact CA-O 3.5Å; A59-G256 PolarHBondContact N-O 3.24Å; G60-G256 VanDerWaalsContact CA-O 3.3Å; G60-G256 WeakPolarHBondContact CA-O 3.34Å; G60-G256 PolarHBondContact N-O 2.88Å; G256-L281 PolarHBondContact N-O 3.41Å; G256-N282 VanDerWaalsContact CA-OD1 3.28Å; G256-N282 WeakPolarHBondContact CA-OD1 3.42Å
257	S	98.2	Very high	97.3	Very high	8 Å²	8	30.9 Å²	30.9	6%	0.056	16%	0.159	C	C	.	.			trans	-129.4	133.5	175.2	-171.2	0	0	0	0	111.2	Q139 I255 L259 N282 T286	Q139-S257 PolarHBondContact NE2-OG 3.04Å; I255-S257 PolarHBondContact O-N 2.96Å; S257-L259 PolarHBondContact O-N 2.82Å; S257-L259 PolarHBondContact OG-N 2.98Å; S257-N282 PolarHBondContact N-OD1 3.03Å; S257-T286 VanDerWaalsContact O-CG2 3.29Å; S257-T286 WeakPolarHBondContact O-CG2 3.41Å
258	S	96.8	Very high	97.3	Very high	29 Å²	29	28.1 Å²	28.1	20%	0.203	14%	0.137	C	C	.	.			trans	-75.3	-14.4	169.9	66.4	0	0	0	0	113	Q260 T286 R287	S258-Q260 PolarHBondContact O-N 3.46Å; S258-T286 WeakPolarHBondContact O-CA 3.37Å; S258-R287 PolarHBondContact O-N 2.76Å
259	L	97.8	Very high	97.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.			trans	52.9	23.9	-177.1	-61.3	171.4	0	0	0	114.1	V56 V254 S257 V261 Y265 L268 R287 A288	V56-L259 HydrophobicContact CG1-CD2 4.4Å; V254-L259 HydrophobicContact CG1-CD1 3.88Å; V254-L259 HydrophobicContact CG1-CD2 4.38Å; V254-L259 HydrophobicContact CG1-CG 4.18Å; V254-L259 HydrophobicContact CG2-CD1 4.09Å; S257-L259 PolarHBondContact O-N 2.82Å; S257-L259 PolarHBondContact OG-N 2.98Å; L259-V261 VanDerWaalsContact C-N 3.26Å; L259-V261 PolarHBondContact O-N 3.38Å; L259-Y265 HydrophobicContact CB-CD2 4.45Å; L259-Y265 WeakPolarHBondContact O-CB 3.41Å; L259-L268 HydrophobicContact CD1-CD2 3.63Å; L259-L268 HydrophobicContact CD1-CG 3.86Å; L259-L268 HydrophobicContact CD2-CD2 3.75Å; L259-L268 HydrophobicContact CG-CD2 4.35Å; L259-R287 HydrophobicContact CB-CB 4.31Å; L259-R287 WeakPolarHBondContact O-CB 3.4Å; L259-R287 WeakPolarHBondContact O-CD 3.23Å; L259-A288 HydrophobicContact CD1-CB 3.52Å
260	Q	94.5	Very high	97.2	Very high	94 Å²	94	27.4 Å²	27.4	44%	0.439	14%	0.137	S	C	.	.			trans	-69.5	-29.1	177	-68	-62.6	-15.6	0	0	111.8	S258	S258-Q260 PolarHBondContact O-N 3.46Å
261	V	92.7	Very high	97.2	Very high	45 Å²	45	25.2 Å²	25.2	27%	0.273	13%	0.126	S	C	.	.	S	Bend	trans	-79.8	126.3	174.5	-174.2	0	0	0	0	109.5	L259 S263 G264 Y265	L259-V261 VanDerWaalsContact C-N 3.26Å; L259-V261 PolarHBondContact O-N 3.38Å; V261-S263 WeakPolarHBondContact CG1-OG 3.17Å; V261-S263 PolarHBondContact O-N 3.41Å; V261-S263 VanDerWaalsContact O-N 3.17Å; V261-G264 PolarHBondContact O-N 2.78Å; V261-Y265 PolarHBondContact O-N 2.9Å
262	Y	94.6	Very high	97.2	Very high	132 Å²	132	27 Å²	27	52%	0.518	14%	0.138	S	C	.	.	H	α-helix	trans	-59.7	-31.1	-172.6	-174	-108.7	0	0	0	113.8	G264 Y265 R266 L269	Y262-G264 VanDerWaalsContact C-N 3.28Å; Y262-G264 PolarHBondContact O-N 3.09Å; Y262-Y265 HydrophobicContact CD2-CD1 4.1Å; Y262-Y265 HydrophobicContact CE2-CD1 4.32Å; Y262-Y265 PolarHBondContact O-N 2.73Å; Y262-R266 HydrophobicContact CD1-CB 4.49Å; Y262-R266 HydrophobicContact CE1-CB 4.07Å; Y262-R266 HydrophobicContact CE2-CB 4.44Å; Y262-R266 WeakPolarHBondContact O-CB 3.13Å; Y262-R266 WeakPolarHBondContact O-CG 3.49Å; Y262-R266 PolarHBondContact O-N 2.87Å; Y262-L269 HydrophobicContact CE2-CD1 3.98Å
263	S	93.5	Very high	97.1	Very high	22 Å²	22	33.4 Å²	33.4	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-35.8	179.6	60.1	0	0	0	0	113.6	H157 V261 R266	H157-S263 PolarHBondContact CE1-OG 2.89Å; H157-S263 PolarHBondContact NE2-OG 3.49Å; V261-S263 WeakPolarHBondContact CG1-OG 3.17Å; V261-S263 PolarHBondContact O-N 3.41Å; V261-S263 VanDerWaalsContact O-N 3.17Å; S263-R266 VanDerWaalsContact O-CG 3.28Å; S263-R266 WeakPolarHBondContact O-CG 3.21Å
264	G	95.3	Very high	97	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-80.5	-46	172.6	0	0	0	0	0	111.2	V261 Y262 R266 V267 L268	V261-G264 PolarHBondContact O-N 2.78Å; Y262-G264 VanDerWaalsContact C-N 3.28Å; Y262-G264 PolarHBondContact O-N 3.09Å; G264-R266 VanDerWaalsContact C-N 3.3Å; G264-R266 PolarHBondContact O-N 3.45Å; G264-V267 WeakPolarHBondContact O-CB 3.3Å; G264-V267 PolarHBondContact O-N 3.16Å; G264-V267 VanDerWaalsContact O-N 3.1Å; G264-L268 WeakPolarHBondContact O-CD2 3.49Å
265	Y	98.1	Very high	97	Very high	18 Å²	18	48 Å²	48	7%	0.071	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-36.4	-177.6	-175.6	-122.9	0	0	0	114	L259 V261 Y262 V267 L268 L269 R287 A288 H290 L291	L259-Y265 HydrophobicContact CB-CD2 4.45Å; L259-Y265 WeakPolarHBondContact O-CB 3.41Å; V261-Y265 PolarHBondContact O-N 2.9Å; Y262-Y265 HydrophobicContact CD2-CD1 4.1Å; Y262-Y265 HydrophobicContact CE2-CD1 4.32Å; Y262-Y265 PolarHBondContact O-N 2.73Å; Y265-V267 PolarHBondContact O-N 2.92Å; Y265-L268 WeakPolarHBondContact O-CA 3.41Å; Y265-L268 WeakPolarHBondContact O-CB 3.27Å; Y265-L268 PolarHBondContact O-N 3.28Å; Y265-L269 HydrophobicContact CD1-CD1 3.93Å; Y265-L269 HydrophobicContact CD1-CG 4.14Å; Y265-L269 HydrophobicContact CE1-CD1 3.73Å; Y265-L269 HydrophobicContact CE1-CD2 3.83Å; Y265-L269 HydrophobicContact CE1-CG 3.83Å; Y265-L269 HydrophobicContact CE2-CD2 4.43Å; Y265-L269 PolarHBondContact O-N 2.82Å; Y265-L269 VanDerWaalsContact O-N 3.07Å; Y265-R287 HydrophobicContact CD1-CG 4.42Å; Y265-R287 HydrophobicContact CD2-CB 4.19Å; Y265-R287 HydrophobicContact CD2-CG 4Å; Y265-R287 HydrophobicContact CE1-CG 4.29Å; Y265-R287 HydrophobicContact CE2-CB 4.33Å; Y265-R287 HydrophobicContact CE2-CG 3.88Å; Y265-R287 HydrophobicContact CG-CG 4.28Å; Y265-A288 HydrophobicContact CD2-CB 4.08Å; Y265-A288 HydrophobicContact CE2-CB 3.9Å; Y265-H290 PolarHBondContact OH-CE1 3.33Å; Y265-H290 VanDerWaalsContact OH-CE1 3.24Å; Y265-H290 PolarHBondContact OH-NE2 3.37Å; Y265-L291 HydrophobicContact CE2-CD1 3.95Å
266	R	97.3	Very high	96.9	Very high	92 Å²	92	49 Å²	49	35%	0.347	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-24.9	178.3	69.6	179.8	-65	-179.2	2.2	113.9	Y262 S263 G264 L268 A270	Y262-R266 HydrophobicContact CD1-CB 4.49Å; Y262-R266 HydrophobicContact CE1-CB 4.07Å; Y262-R266 HydrophobicContact CE2-CB 4.44Å; Y262-R266 WeakPolarHBondContact O-CB 3.13Å; Y262-R266 WeakPolarHBondContact O-CG 3.49Å; Y262-R266 PolarHBondContact O-N 2.87Å; S263-R266 VanDerWaalsContact O-CG 3.28Å; S263-R266 WeakPolarHBondContact O-CG 3.21Å; G264-R266 VanDerWaalsContact C-N 3.3Å; G264-R266 PolarHBondContact O-N 3.45Å; R266-L268 VanDerWaalsContact C-N 3.32Å; R266-A270 WeakPolarHBondContact O-CB 3.48Å; R266-A270 PolarHBondContact O-N 3.28Å; R266-A270 VanDerWaalsContact O-N 3.09Å
267	V	97.9	Very high	97	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-39.7	174.3	-179	0	0	0	0	109.5	F54 V56 V242 L246 G264 Y265 A270 A271	F54-V267 HydrophobicContact CD1-CG1 4.48Å; F54-V267 HydrophobicContact CE1-CG1 3.81Å; F54-V267 HydrophobicContact CZ-CG1 4.46Å; V56-V267 HydrophobicContact CG2-CG1 3.97Å; V242-V267 HydrophobicContact CG1-CG2 4.07Å; L246-V267 HydrophobicContact CD2-CG1 4.12Å; G264-V267 WeakPolarHBondContact O-CB 3.3Å; G264-V267 PolarHBondContact O-N 3.16Å; G264-V267 VanDerWaalsContact O-N 3.1Å; Y265-V267 PolarHBondContact O-N 2.92Å; V267-A270 PolarHBondContact O-N 3.2Å; V267-A271 WeakPolarHBondContact O-CB 3.12Å; V267-A271 PolarHBondContact O-N 3.35Å
268	L	98.4	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-73.7	-35.4	179.1	-68.6	-50.6	0	0	0	112.2	V252 V254 L259 G264 Y265 R266 A271 S272 I278 A288 L291	V252-L268 HydrophobicContact CB-CD1 4.41Å; V252-L268 HydrophobicContact CG1-CD1 3.67Å; V254-L268 HydrophobicContact CG2-CD1 3.58Å; V254-L268 HydrophobicContact CG2-CD2 4.17Å; V254-L268 HydrophobicContact CG2-CG 4.06Å; L259-L268 HydrophobicContact CD1-CD2 3.63Å; L259-L268 HydrophobicContact CD1-CG 3.86Å; L259-L268 HydrophobicContact CD2-CD2 3.75Å; L259-L268 HydrophobicContact CG-CD2 4.35Å; G264-L268 WeakPolarHBondContact O-CD2 3.49Å; Y265-L268 WeakPolarHBondContact O-CA 3.41Å; Y265-L268 WeakPolarHBondContact O-CB 3.27Å; Y265-L268 PolarHBondContact O-N 3.28Å; R266-L268 VanDerWaalsContact C-N 3.32Å; L268-A271 PolarHBondContact O-N 3.43Å; L268-S272 WeakPolarHBondContact O-CB 3.26Å; L268-S272 PolarHBondContact O-N 3.29Å; L268-I278 HydrophobicContact CD1-CD1 4.28Å; L268-I278 HydrophobicContact CD1-CG1 4.4Å; L268-I278 HydrophobicContact CD1-CG2 3.96Å; L268-A288 HydrophobicContact CB-CB 4.27Å; L268-A288 HydrophobicContact CG-CB 4.2Å; L268-L291 HydrophobicContact CB-CD1 4.19Å
269	L	98.4	Very high	97.1	Very high	49 Å²	49	49.6 Å²	49.6	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-49.8	169.7	-66.7	177	0	0	0	110.8	Y262 Y265 A271 S272 D273 L291	Y262-L269 HydrophobicContact CE2-CD1 3.98Å; Y265-L269 HydrophobicContact CD1-CD1 3.93Å; Y265-L269 HydrophobicContact CD1-CG 4.14Å; Y265-L269 HydrophobicContact CE1-CD1 3.73Å; Y265-L269 HydrophobicContact CE1-CD2 3.83Å; Y265-L269 HydrophobicContact CE1-CG 3.83Å; Y265-L269 HydrophobicContact CE2-CD2 4.43Å; Y265-L269 PolarHBondContact O-N 2.82Å; Y265-L269 VanDerWaalsContact O-N 3.07Å; L269-A271 VanDerWaalsContact C-N 3.3Å; L269-A271 PolarHBondContact O-N 3.38Å; L269-S272 PolarHBondContact O-N 3.12Å; L269-S272 VanDerWaalsContact O-N 3.12Å; L269-D273 VanDerWaalsContact O-CG 3.29Å; L269-D273 PolarHBondContact O-N 3.14Å; L269-L291 HydrophobicContact CD2-CD1 4.14Å
270	A	98	Very high	97.1	Very high	25 Å²	25	49.6 Å²	49.6	21%	0.207	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-34.5	178.9	0	0	0	0	0	113.4	L246 R266 V267 K274	L246-A270 HydrophobicContact CD2-CB 3.9Å; R266-A270 WeakPolarHBondContact O-CB 3.48Å; R266-A270 PolarHBondContact O-N 3.28Å; R266-A270 VanDerWaalsContact O-N 3.09Å; V267-A270 PolarHBondContact O-N 3.2Å; A270-K274 WeakPolarHBondContact O-CG 3.16Å; A270-K274 PolarHBondContact O-N 2.97Å
271	A	98.3	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.3	-42	173.5	0	0	0	0	0	111.8	L246 V252 V267 L268 L269 K274 K275 M276 I278	L246-A271 HydrophobicContact CD1-CB 4.35Å; L246-A271 HydrophobicContact CD2-CB 4.44Å; V252-A271 HydrophobicContact CG2-CB 3.63Å; V267-A271 WeakPolarHBondContact O-CB 3.12Å; V267-A271 PolarHBondContact O-N 3.35Å; L268-A271 PolarHBondContact O-N 3.43Å; L269-A271 VanDerWaalsContact C-N 3.3Å; L269-A271 PolarHBondContact O-N 3.38Å; A271-K274 CarbonylContact O-C 3.5Å; A271-K274 PolarHBondContact O-N 3.39Å; A271-K275 PolarHBondContact O-N 2.9Å; A271-M276 HydrophobicContact CB-CB 4.23Å; A271-M276 HydrophobicContact CB-SD 4.19Å; A271-M276 WeakPolarHBondContact O-CB 3.33Å; A271-M276 PolarHBondContact O-N 2.67Å; A271-I278 HydrophobicContact CB-CD1 4.11Å; A271-I278 HydrophobicContact CB-CG1 4.33Å
272	S	98.1	Very high	97.6	Very high	42 Å²	42	43.8 Å²	43.8	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-66	-40.7	178	-174.6	0	0	0	0	112.4	L268 L269 K274 K275	L268-S272 WeakPolarHBondContact O-CB 3.26Å; L268-S272 PolarHBondContact O-N 3.29Å; L269-S272 PolarHBondContact O-N 3.12Å; L269-S272 VanDerWaalsContact O-N 3.12Å; S272-K274 PolarHBondContact O-N 3.28Å; S272-K275 WeakPolarHBondContact O-CA 3.49Å; S272-K275 PolarHBondContact O-N 2.97Å
273	D	97.7	Very high	97.7	Very high	134 Å²	134	38.6 Å²	38.6	72%	0.717	19%	0.194	S	C	*	.	H	α-helix	trans	-57.9	-32.4	174.2	-69.2	-21.9	0	0	0	111.7	L269 K275	L269-D273 VanDerWaalsContact O-CG 3.29Å; L269-D273 PolarHBondContact O-N 3.14Å; D273-K275 VanDerWaalsContact C-N 3.33Å
274	K	96.3	Very high	97.8	Very high	112 Å²	112	38.5 Å²	38.5	49%	0.487	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.9	175.2	-67.6	-177.3	178.8	-171.7	0	114	A247 A270 A271 S272 M276	A247-K274 VanDerWaalsContact CB-NZ 3.28Å; A270-K274 WeakPolarHBondContact O-CG 3.16Å; A270-K274 PolarHBondContact O-N 2.97Å; A271-K274 CarbonylContact O-C 3.5Å; A271-K274 PolarHBondContact O-N 3.39Å; S272-K274 PolarHBondContact O-N 3.28Å; K274-M276 HydrophobicContact CB-CG 3.95Å; K274-M276 HydrophobicContact CB-SD 4.31Å; K274-M276 HydrophobicContact CD-SD 4.37Å; K274-M276 PolarHBondContact O-N 2.81Å
275	K	97.6	Very high	97.8	Very high	193 Å²	193	43.1 Å²	43.1	84%	0.839	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	31.3	-175.6	-53.5	179.4	-178.9	179.2	0	113.1	A271 S272 D273	A271-K275 PolarHBondContact O-N 2.9Å; S272-K275 WeakPolarHBondContact O-CA 3.49Å; S272-K275 PolarHBondContact O-N 2.97Å; D273-K275 VanDerWaalsContact C-N 3.33Å
276	M	98.2	Very high	97.8	Very high	23 Å²	23	42.7 Å²	42.7	11%	0.113	23%	0.226	C	C	.	.			trans	-71.5	137.1	175.1	-65	175.5	67.6	0	0	109.8	L246 A249 V252 A271 K274 I278	L246-M276 HydrophobicContact CD1-CE 3.98Å; L246-M276 HydrophobicContact CD1-SD 4.06Å; L246-M276 HydrophobicContact CG-SD 4.36Å; A249-M276 HydrophobicContact CB-CE 3.84Å; A249-M276 WeakPolarHBondContact O-CE 3.25Å; V252-M276 HydrophobicContact CG2-CE 4.06Å; A271-M276 HydrophobicContact CB-CB 4.23Å; A271-M276 HydrophobicContact CB-SD 4.19Å; A271-M276 WeakPolarHBondContact O-CB 3.33Å; A271-M276 PolarHBondContact O-N 2.67Å; K274-M276 HydrophobicContact CB-CG 3.95Å; K274-M276 HydrophobicContact CB-SD 4.31Å; K274-M276 HydrophobicContact CD-SD 4.37Å; K274-M276 PolarHBondContact O-N 2.81Å; M276-I278 PolarHBondContact O-N 2.72Å
277	P	98.6	Very high	97.9	Very high	48 Å²	48	43 Å²	43	31%	0.312	23%	0.227	S	C	.	.			trans	-58.4	132.7	170.9	-23.5	33.8	0	0	0	111.2	F46 D250 A251 V252	F46-P277 HydrophobicContact CE2-CB 3.59Å; F46-P277 HydrophobicContact CZ-CB 4.15Å; D250-P277 WeakPolarHBondContact O-CD 3.3Å; A251-P277 WeakPolarHBondContact CA-O 3.43Å; A251-P277 HydrophobicContact CB-CB 4.46Å; V252-P277 PolarHBondContact N-O 3.06Å
278	I	98.9	Very high	97.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.3	178.9	-63.6	163.1	0	0	0	108.8	V252 L268 A271 M276 I280 L291 A292 E293	V252-I278 HydrophobicContact CB-CG1 4.21Å; V252-I278 CarbonylContact O-C 3.6Å; V252-I278 WeakPolarHBondContact O-CA 3.27Å; L268-I278 HydrophobicContact CD1-CD1 4.28Å; L268-I278 HydrophobicContact CD1-CG1 4.4Å; L268-I278 HydrophobicContact CD1-CG2 3.96Å; A271-I278 HydrophobicContact CB-CD1 4.11Å; A271-I278 HydrophobicContact CB-CG1 4.33Å; M276-I278 PolarHBondContact O-N 2.72Å; I278-I280 HydrophobicContact CG2-CG1 4.36Å; I278-L291 HydrophobicContact CD1-CB 4.13Å; I278-A292 HydrophobicContact CG2-CB 4.33Å; I278-A292 CarbonylContact O-C 3.53Å; I278-A292 WeakPolarHBondContact O-CA 3.45Å; I278-E293 PolarHBondContact O-N 3.48Å
279	A	98.8	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.1	168	0	0	0	0	0	110.9	L43 F46 V252 L253 V254 L294	L43-A279 HydrophobicContact CD1-CB 4.35Å; F46-A279 HydrophobicContact CD1-CB 3.58Å; F46-A279 HydrophobicContact CD2-CB 3.83Å; F46-A279 HydrophobicContact CE1-CB 3.46Å; F46-A279 VanDerWaalsContact CE1-CB 3.46Å; F46-A279 HydrophobicContact CE2-CB 3.69Å; F46-A279 HydrophobicContact CG-CB 3.77Å; F46-A279 HydrophobicContact CZ-CB 3.51Å; V252-A279 PolarHBondContact O-N 3.48Å; L253-A279 WeakPolarHBondContact CA-O 3.29Å; L253-A279 HydrophobicContact CD1-CB 3.92Å; V254-A279 PolarHBondContact N-O 3.26Å; A279-L294 CarbonylContact C-O 3.53Å; A279-L294 VanDerWaalsContact CA-O 3.28Å; A279-L294 WeakPolarHBondContact CA-O 3.49Å; A279-L294 HydrophobicContact CB-CB 4.3Å
280	I	98.9	Very high	97.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.8	179.5	-57.6	-175.3	0	0	0	109.7	V254 I278 N282 T286 A288 A292 L294 K295 V296	V254-I280 HydrophobicContact CB-CB 4.49Å; V254-I280 HydrophobicContact CB-CG1 4.11Å; V254-I280 HydrophobicContact CB-CG2 4.39Å; V254-I280 HydrophobicContact CG2-CG1 4.26Å; I278-I280 HydrophobicContact CG2-CG1 4.36Å; I280-N282 HydrophobicContact CG2-CB 3.81Å; I280-T286 WeakPolarHBondContact CD1-OG1 3.29Å; I280-T286 HydrophobicContact CG2-CG2 3.8Å; I280-A288 HydrophobicContact CD1-CB 4.19Å; I280-A292 HydrophobicContact CD1-CB 3.79Å; I280-A292 HydrophobicContact CG1-CB 3.85Å; I280-L294 PolarHBondContact N-O 3.43Å; I280-K295 HydrophobicContact CB-CB 4.48Å; I280-K295 HydrophobicContact CB-CG 4.28Å; I280-K295 HydrophobicContact CG2-CG 4.4Å; I280-K295 CarbonylContact O-C 3.55Å; I280-K295 WeakPolarHBondContact O-CA 3.36Å; I280-V296 PolarHBondContact O-N 3.49Å
281	L	98.7	Very high	97.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	100.6	166.1	173.6	55	0	0	0	108.8	V254 I255 G256 V296 V303 L304	V254-L281 PolarHBondContact O-N 2.87Å; I255-L281 WeakPolarHBondContact CA-O 3.17Å; I255-L281 HydrophobicContact CG2-CB 4.44Å; I255-L281 HydrophobicContact CG2-CD2 4.14Å; I255-L281 HydrophobicContact CG2-CG 4.31Å; G256-L281 PolarHBondContact N-O 3.41Å; L281-V296 WeakPolarHBondContact CA-O 3.37Å; L281-V296 HydrophobicContact CD1-CB 4.17Å; L281-V296 HydrophobicContact CD1-CG1 3.98Å; L281-V303 HydrophobicContact CD1-CB 3.89Å; L281-V303 HydrophobicContact CD1-CG1 3.88Å; L281-V303 HydrophobicContact CD1-CG2 3.84Å; L281-V303 HydrophobicContact CD2-CB 3.91Å; L281-V303 HydrophobicContact CD2-CG1 3.77Å; L281-V303 HydrophobicContact CG-CG1 4.48Å; L281-L304 HydrophobicContact CD2-CD1 4.43Å; L281-L304 HydrophobicContact CD2-CD2 3.84Å; L281-L304 HydrophobicContact CD2-CG 3.78Å
282	N	98.3	Very high	97.9	Very high	17 Å²	17	51 Å²	51	9%	0.091	27%	0.265	C	S	.	.			trans	-157.4	140.3	-178	-163.6	66.2	0	0	0	111.6	G256 S257 I280 G284 T286 V296 R297	G256-N282 VanDerWaalsContact CA-OD1 3.28Å; G256-N282 WeakPolarHBondContact CA-OD1 3.42Å; S257-N282 PolarHBondContact N-OD1 3.03Å; I280-N282 HydrophobicContact CG2-CB 3.81Å; N282-G284 PolarHBondContact ND2-N 3.44Å; N282-G284 PolarHBondContact ND2-O 2.82Å; N282-T286 HydrophobicContact CB-CG2 3.97Å; N282-V296 PolarHBondContact N-O 3.33Å; N282-R297 WeakPolarHBondContact O-CA 3.41Å
283	I	96.9	Very high	97.9	Very high	22 Å²	22	54.5 Å²	54.5	11%	0.113	28%	0.277	C	S	.	.	S	Bend	trans	-65.2	-53.3	179	-64.9	171.8	0	0	0	111.1	V29 P30 C32 R297 G298 R299	V29-I283 HydrophobicContact CG1-CD1 4Å; P30-I283 HydrophobicContact CB-CG2 4.34Å; P30-I283 HydrophobicContact CG-CB 4.12Å; P30-I283 HydrophobicContact CG-CD1 3.68Å; P30-I283 HydrophobicContact CG-CG1 4.49Å; P30-I283 HydrophobicContact CG-CG2 3.85Å; C32-I283 HydrophobicContact CB-CB 4.33Å; C32-I283 HydrophobicContact CB-CD1 3.96Å; C32-I283 HydrophobicContact CB-CG1 3.9Å; C32-I283 HydrophobicContact CB-CG2 3.6Å; I283-R297 PolarHBondContact O-NE 3.09Å; I283-R297 PolarHBondContact O-NH2 3.42Å; I283-G298 WeakPolarHBondContact CG1-O 3.1Å; I283-R299 HydrophobicContact CD1-CG 4.17Å
284	G	94.7	Very high	97.9	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	25%	0.249	C	C	.	.	S	Bend	trans	-89.4	178.2	-175.4	0	0	0	0	0	114.6	N282 K295	N282-G284 PolarHBondContact ND2-N 3.44Å; N282-G284 PolarHBondContact ND2-O 2.82Å; G284-K295 WeakPolarHBondContact O-CE 3.46Å; G284-K295 PolarHBondContact O-NZ 2.89Å
285	P	96.8	Very high	98	Very high	97 Å²	97	46.5 Å²	46.5	63%	0.63	24%	0.237	S	C	*	.			trans	-60.7	152.2	170.6	27.9	-34.7	0	0	0	111.5
286	T	98.2	Very high	98	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	20%	0.197	C	C	.	.			trans	-127.2	154.9	171.1	85.8	0	0	0	0	110.5	S257 S258 I280 N282 A288 D289	S257-T286 VanDerWaalsContact O-CG2 3.29Å; S257-T286 WeakPolarHBondContact O-CG2 3.41Å; S258-T286 WeakPolarHBondContact O-CA 3.37Å; I280-T286 WeakPolarHBondContact CD1-OG1 3.29Å; I280-T286 HydrophobicContact CG2-CG2 3.8Å; N282-T286 HydrophobicContact CB-CG2 3.97Å; T286-A288 PolarHBondContact O-N 3.35Å; T286-A288 PolarHBondContact OG1-N 3.23Å; T286-D289 VanDerWaalsContact CB-OD1 3.31Å; T286-D289 WeakPolarHBondContact CB-OD1 3.47Å; T286-D289 PolarHBondContact N-OD1 3.29Å; T286-D289 PolarHBondContact N-OD2 3.03Å; T286-D289 VanDerWaalsContact O-CG 3.26Å; T286-D289 PolarHBondContact O-N 3.02Å; T286-D289 PolarHBondContact OG1-N 3.48Å; T286-D289 PolarHBondContact OG1-OD1 3.44Å
287	R	98.2	Very high	98	Very high	100 Å²	100	43.4 Å²	43.4	38%	0.377	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.4	173.7	-170.6	176.4	175.1	177.3	-0.5	112.8	S258 L259 Y265 H290	S258-R287 PolarHBondContact O-N 2.76Å; L259-R287 HydrophobicContact CB-CB 4.31Å; L259-R287 WeakPolarHBondContact O-CB 3.4Å; L259-R287 WeakPolarHBondContact O-CD 3.23Å; Y265-R287 HydrophobicContact CD1-CG 4.42Å; Y265-R287 HydrophobicContact CD2-CB 4.19Å; Y265-R287 HydrophobicContact CD2-CG 4Å; Y265-R287 HydrophobicContact CE1-CG 4.29Å; Y265-R287 HydrophobicContact CE2-CB 4.33Å; Y265-R287 HydrophobicContact CE2-CG 3.88Å; Y265-R287 HydrophobicContact CG-CG 4.28Å; R287-H290 PolarHBondContact O-CE1 3.06Å; R287-H290 PolarHBondContact O-ND1 2.91Å
288	A	98	Very high	97.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	11.7	-176.1	0	0	0	0	0	113.9	L259 Y265 L268 I280 T286 H290 L291 A292	L259-A288 HydrophobicContact CD1-CB 3.52Å; Y265-A288 HydrophobicContact CD2-CB 4.08Å; Y265-A288 HydrophobicContact CE2-CB 3.9Å; L268-A288 HydrophobicContact CB-CB 4.27Å; L268-A288 HydrophobicContact CG-CB 4.2Å; I280-A288 HydrophobicContact CD1-CB 4.19Å; T286-A288 PolarHBondContact O-N 3.35Å; T286-A288 PolarHBondContact OG1-N 3.23Å; A288-H290 PolarHBondContact O-N 3.33Å; A288-H290 VanDerWaalsContact O-N 3.16Å; A288-L291 HydrophobicContact CB-CD1 4.23Å; A288-L291 WeakPolarHBondContact O-CB 3.31Å; A288-L291 PolarHBondContact O-N 2.96Å; A288-A292 PolarHBondContact O-N 3.02Å
289	D	98.5	Very high	97.8	Very high	55 Å²	55	43.3 Å²	43.3	29%	0.294	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-55.8	-35.9	-179	-72.6	-7.5	0	0	0	112	T286 L291 A292 K295	T286-D289 VanDerWaalsContact CB-OD1 3.31Å; T286-D289 WeakPolarHBondContact CB-OD1 3.47Å; T286-D289 PolarHBondContact N-OD1 3.29Å; T286-D289 PolarHBondContact N-OD2 3.03Å; T286-D289 VanDerWaalsContact O-CG 3.26Å; T286-D289 PolarHBondContact O-N 3.02Å; T286-D289 PolarHBondContact OG1-N 3.48Å; T286-D289 PolarHBondContact OG1-OD1 3.44Å; D289-L291 VanDerWaalsContact C-N 3.25Å; D289-L291 PolarHBondContact O-N 3.24Å; D289-A292 PolarHBondContact O-N 3.01Å; D289-K295 WeakPolarHBondContact OD1-CD 3.14Å; D289-K295 IonicContact OD1-NZ 2.71Å; D289-K295 PolarHBondContact OD1-NZ 3.01Å; D289-K295 IonicContact OD2-NZ 3.96Å; D289-K295 PolarHBondContact OD2-NZ 3.18Å
290	H	98.3	Very high	97.7	Very high	133 Å²	133	43.6 Å²	43.6	62%	0.616	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-72.4	-11.8	177.4	65.1	-84.8	0	0	0	114.7	Y265 R287 A288	Y265-H290 PolarHBondContact OH-CE1 3.33Å; Y265-H290 VanDerWaalsContact OH-CE1 3.24Å; Y265-H290 PolarHBondContact OH-NE2 3.37Å; R287-H290 PolarHBondContact O-CE1 3.06Å; R287-H290 PolarHBondContact O-ND1 2.91Å; A288-H290 PolarHBondContact O-N 3.33Å; A288-H290 VanDerWaalsContact O-N 3.16Å
291	L	98.4	Very high	97.5	Very high	35 Å²	35	43.6 Å²	43.6	18%	0.183	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-97.7	-12.3	177.5	-56.1	177.6	0	0	0	112.1	Y265 L268 L269 I278 A288 D289	Y265-L291 HydrophobicContact CE2-CD1 3.95Å; L268-L291 HydrophobicContact CB-CD1 4.19Å; L269-L291 HydrophobicContact CD2-CD1 4.14Å; I278-L291 HydrophobicContact CD1-CB 4.13Å; A288-L291 HydrophobicContact CB-CD1 4.23Å; A288-L291 WeakPolarHBondContact O-CB 3.31Å; A288-L291 PolarHBondContact O-N 2.96Å; D289-L291 VanDerWaalsContact C-N 3.25Å; D289-L291 PolarHBondContact O-N 3.24Å
292	A	98.2	Very high	97.3	Very high	26 Å²	26	46.7 Å²	46.7	22%	0.215	23%	0.228	C	C	.	.			trans	-86.2	135.1	-173	0	0	0	0	0	111.7	I278 I280 A288 D289 L294	I278-A292 HydrophobicContact CG2-CB 4.33Å; I278-A292 CarbonylContact O-C 3.53Å; I278-A292 WeakPolarHBondContact O-CA 3.45Å; I280-A292 HydrophobicContact CD1-CB 3.79Å; I280-A292 HydrophobicContact CG1-CB 3.85Å; A288-A292 PolarHBondContact O-N 3.02Å; D289-A292 PolarHBondContact O-N 3.01Å; A292-L294 VanDerWaalsContact C-N 3.31Å
293	E	98.2	Very high	97.3	Very high	115 Å²	115	45.9 Å²	45.9	54%	0.537	22%	0.224	S	C	.	.	S	Bend	trans	-70.3	-34.4	165.4	177.7	-176.4	134	0	0	110.3	R49 I278	R49-E293 IonicContact CZ-OE1 2.92Å; R49-E293 IonicContact NH1-OE1 3.16Å; R49-E293 PolarHBondContact NH1-OE1 2.72Å; R49-E293 IonicContact NH2-OE1 2.71Å; R49-E293 PolarHBondContact NH2-OE1 3.23Å; I278-E293 PolarHBondContact O-N 3.48Å
294	L	97.9	Very high	97.3	Very high	23 Å²	23	45 Å²	45	12%	0.12	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.9	-176.4	175.9	64.8	0	0	0	111.3	L42 L43 F46 A279 I280 A292 V296	L42-L294 VanDerWaalsContact C-CD2 3.46Å; L42-L294 HydrophobicContact CB-CD1 3.82Å; L42-L294 HydrophobicContact CB-CD2 3.86Å; L42-L294 HydrophobicContact CD1-CD1 4.07Å; L42-L294 WeakPolarHBondContact O-CD2 3.21Å; L43-L294 HydrophobicContact CB-CD2 4.06Å; L43-L294 HydrophobicContact CD1-CD2 4.34Å; F46-L294 HydrophobicContact CB-CD2 4.27Å; A279-L294 CarbonylContact C-O 3.53Å; A279-L294 VanDerWaalsContact CA-O 3.28Å; A279-L294 WeakPolarHBondContact CA-O 3.49Å; A279-L294 HydrophobicContact CB-CB 4.3Å; I280-L294 PolarHBondContact N-O 3.43Å; A292-L294 VanDerWaalsContact C-N 3.31Å; L294-V296 HydrophobicContact CD1-CG2 4.36Å; L294-V296 HydrophobicContact CD2-CG2 4.28Å; L294-V296 HydrophobicContact CG-CG2 4.26Å
295	K	98.2	Very high	97.3	Very high	55 Å²	55	47 Å²	47	24%	0.239	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.1	166.5	-179.5	171.5	179.6	165.6	0	110.8	I280 G284 D289	I280-K295 HydrophobicContact CB-CB 4.48Å; I280-K295 HydrophobicContact CB-CG 4.28Å; I280-K295 HydrophobicContact CG2-CG 4.4Å; I280-K295 CarbonylContact O-C 3.55Å; I280-K295 WeakPolarHBondContact O-CA 3.36Å; G284-K295 WeakPolarHBondContact O-CE 3.46Å; G284-K295 PolarHBondContact O-NZ 2.89Å; D289-K295 WeakPolarHBondContact OD1-CD 3.14Å; D289-K295 IonicContact OD1-NZ 2.71Å; D289-K295 PolarHBondContact OD1-NZ 3.01Å; D289-K295 IonicContact OD2-NZ 3.96Å; D289-K295 PolarHBondContact OD2-NZ 3.18Å
296	V	98.3	Very high	97.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.6	170.7	179.1	0	0	0	0	109.1	A35 S39 L43 I280 L281 N282 L294 V303	A35-V296 HydrophobicContact CB-CG1 3.97Å; S39-V296 WeakPolarHBondContact O-CG2 3.38Å; L43-V296 HydrophobicContact CB-CG2 3.89Å; L43-V296 HydrophobicContact CD2-CG2 4.19Å; L43-V296 HydrophobicContact CG-CG2 4.5Å; I280-V296 PolarHBondContact O-N 3.49Å; L281-V296 WeakPolarHBondContact CA-O 3.37Å; L281-V296 HydrophobicContact CD1-CB 4.17Å; L281-V296 HydrophobicContact CD1-CG1 3.98Å; N282-V296 PolarHBondContact N-O 3.33Å; L294-V296 HydrophobicContact CD1-CG2 4.36Å; L294-V296 HydrophobicContact CD2-CG2 4.28Å; L294-V296 HydrophobicContact CG-CG2 4.26Å; V296-V303 HydrophobicContact CG1-CG1 4.47Å; V296-V303 HydrophobicContact CG1-CG2 4.31Å
297	R	97.4	Very high	97.3	Very high	152 Å²	152	46 Å²	46	57%	0.574	22%	0.222	S	C	*	.			trans	-92.4	113.4	172	-58.2	-175.6	78.1	-168.2	4.3	108.4	N282 I283	N282-R297 WeakPolarHBondContact O-CA 3.41Å; I283-R297 PolarHBondContact O-NE 3.09Å; I283-R297 PolarHBondContact O-NH2 3.42Å
298	G	95.9	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	179.9	165.8	-178.3	0	0	0	0	0	112	I283	I283-G298 WeakPolarHBondContact CG1-O 3.1Å
299	R	96.5	Very high	96.7	Very high	48 Å²	48	46 Å²	46	18%	0.181	23%	0.228	C	C	.	.			trans	-69.6	133.7	173	-69.8	175.6	54.8	-171.1	-10.6	109.7	V29 E64 I283 G301 E302 V303	V29-R299 HydrophobicContact CG1-CG 4.03Å; E64-R299 IonicContact OE2-CZ 3.74Å; E64-R299 IonicContact OE2-NE 3.35Å; E64-R299 PolarHBondContact OE2-NE 3.42Å; E64-R299 IonicContact OE2-NH2 3.38Å; E64-R299 PolarHBondContact OE2-NH2 3.37Å; I283-R299 HydrophobicContact CD1-CG 4.17Å; R299-G301 VanDerWaalsContact C-N 3.32Å; R299-G301 PolarHBondContact O-N 3.35Å; R299-E302 HydrophobicContact CB-CB 4.1Å; R299-E302 PolarHBondContact O-N 3.49Å; R299-V303 WeakPolarHBondContact O-CG2 3.45Å; R299-V303 PolarHBondContact O-N 3.48Å
300	C	96.4	Very high	96	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.041	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-42.6	-172.5	-61.8	0	0	0	0	111.2	E64 A120 I255 L304	E64-C300 PolarHBondContact OE1-N 2.83Å; A120-C300 HydrophobicContact CB-CB 4.03Å; I255-C300 HydrophobicContact CG2-CB 3.97Å; I255-C300 WeakPolarHBondContact CG2-SG 3.33Å; C300-L304 VanDerWaalsContact O-CB 3.29Å; C300-L304 WeakPolarHBondContact O-CB 3.36Å; C300-L304 VanDerWaalsContact O-CG 3.3Å; C300-L304 WeakPolarHBondContact O-CG 3.41Å; C300-L304 PolarHBondContact O-N 2.95Å
301	G	95.4	Very high	95.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-40.3	178.6	0	0	0	0	0	113.4	E64 C119 R299 S305	E64-G301 PolarHBondContact OE1-N 3.26Å; C119-G301 WeakPolarHBondContact SG-CA 3.27Å; R299-G301 VanDerWaalsContact C-N 3.32Å; R299-G301 PolarHBondContact O-N 3.35Å; G301-S305 VanDerWaalsContact O-CB 3.3Å; G301-S305 WeakPolarHBondContact O-CB 3.43Å; G301-S305 PolarHBondContact O-N 3.16Å; G301-S305 PolarHBondContact O-OG 3.22Å
302	E	95.3	Very high	95.7	Very high	65 Å²	65	47.8 Å²	47.8	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-50.4	177.8	-174.3	-175.3	148.3	0	0	111.1	T34 R299	T34-E302 VanDerWaalsContact CB-OE1 3.25Å; T34-E302 WeakPolarHBondContact CB-OE1 3.31Å; T34-E302 VanDerWaalsContact CG2-OE1 3.26Å; T34-E302 WeakPolarHBondContact CG2-OE1 3.47Å; R299-E302 HydrophobicContact CB-CB 4.1Å; R299-E302 PolarHBondContact O-N 3.49Å
303	V	97.7	Very high	95.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-50.2	-176.5	174.2	0	0	0	0	111.4	A35 L40 L43 L281 V296 R299 S305 V306 I307	A35-V303 HydrophobicContact CB-CG2 3.81Å; L40-V303 HydrophobicContact CD2-CB 4.26Å; L40-V303 HydrophobicContact CD2-CG1 3.79Å; L40-V303 HydrophobicContact CD2-CG2 4.03Å; L43-V303 HydrophobicContact CD2-CG1 3.45Å; L43-V303 VanDerWaalsContact CD2-CG1 3.45Å; L281-V303 HydrophobicContact CD1-CB 3.89Å; L281-V303 HydrophobicContact CD1-CG1 3.88Å; L281-V303 HydrophobicContact CD1-CG2 3.84Å; L281-V303 HydrophobicContact CD2-CB 3.91Å; L281-V303 HydrophobicContact CD2-CG1 3.77Å; L281-V303 HydrophobicContact CG-CG1 4.48Å; V296-V303 HydrophobicContact CG1-CG1 4.47Å; V296-V303 HydrophobicContact CG1-CG2 4.31Å; R299-V303 WeakPolarHBondContact O-CG2 3.45Å; R299-V303 PolarHBondContact O-N 3.48Å; V303-S305 PolarHBondContact O-N 3.05Å; V303-V306 WeakPolarHBondContact O-CG2 3.38Å; V303-V306 PolarHBondContact O-N 3.21Å; V303-I307 HydrophobicContact CG1-CG1 4.29Å; V303-I307 WeakPolarHBondContact O-CG1 3.47Å; V303-I307 PolarHBondContact O-N 3.28Å
304	L	97.5	Very high	95.5	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-20.9	-175.7	-65.5	176.7	0	0	0	113.6	A120 A123 L124 W127 I255 L281 C300 V306	A120-L304 HydrophobicContact CB-CD1 3.81Å; A123-L304 HydrophobicContact CB-CB 3.92Å; L124-L304 HydrophobicContact CD2-CD1 4.49Å; L124-L304 HydrophobicContact CG-CD1 4.3Å; W127-L304 HydrophobicContact CH2-CD2 3.89Å; W127-L304 HydrophobicContact CZ2-CD2 4.07Å; I255-L304 HydrophobicContact CD1-CD1 4.04Å; I255-L304 HydrophobicContact CD1-CD2 4.34Å; I255-L304 HydrophobicContact CG2-CD1 4.29Å; L281-L304 HydrophobicContact CD2-CD1 4.43Å; L281-L304 HydrophobicContact CD2-CD2 3.84Å; L281-L304 HydrophobicContact CD2-CG 3.78Å; C300-L304 VanDerWaalsContact O-CB 3.29Å; C300-L304 WeakPolarHBondContact O-CB 3.36Å; C300-L304 VanDerWaalsContact O-CG 3.3Å; C300-L304 WeakPolarHBondContact O-CG 3.41Å; C300-L304 PolarHBondContact O-N 2.95Å; L304-V306 PolarHBondContact O-N 3.47Å
305	S	94.3	Very high	95.3	Very high	65 Å²	65	46.6 Å²	46.6	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.2	177.1	-63.2	0	0	0	0	112.9	G301 V303	G301-S305 VanDerWaalsContact O-CB 3.3Å; G301-S305 WeakPolarHBondContact O-CB 3.43Å; G301-S305 PolarHBondContact O-N 3.16Å; G301-S305 PolarHBondContact O-OG 3.22Å; V303-S305 PolarHBondContact O-N 3.05Å
306	V	95.9	Very high	95.1	Very high	77 Å²	77	46 Å²	46	47%	0.467	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-19.3	-179	-60.3	0	0	0	0	113.5	L40 V303 L304	L40-V306 HydrophobicContact CD1-CG2 4.27Å; L40-V306 HydrophobicContact CD2-CG2 4.1Å; V303-V306 WeakPolarHBondContact O-CG2 3.38Å; V303-V306 PolarHBondContact O-N 3.21Å; L304-V306 PolarHBondContact O-N 3.47Å
307	I	97.8	Very high	94.9	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	25%	0.246	C	C	.	.			trans	-77.5	126.4	177.4	-58.1	-60.9	0	0	0	110.7	L40 L43 Q44 V47 W127 V303	L40-I307 WeakPolarHBondContact O-CD1 3.48Å; L43-I307 HydrophobicContact CB-CD1 4.24Å; L43-I307 HydrophobicContact CD2-CD1 4.26Å; L43-I307 HydrophobicContact CD2-CG1 4.05Å; L43-I307 HydrophobicContact CG-CD1 4.2Å; L43-I307 HydrophobicContact CG-CG1 4.3Å; Q44-I307 HydrophobicContact CB-CD1 3.98Å; V47-I307 HydrophobicContact CB-CG2 4.17Å; V47-I307 HydrophobicContact CG1-CG2 4.23Å; V47-I307 HydrophobicContact CG2-CG2 4.07Å; W127-I307 HydrophobicContact CH2-CB 4.3Å; W127-I307 HydrophobicContact CH2-CG2 3.69Å; W127-I307 HydrophobicContact CZ2-CB 3.81Å; W127-I307 HydrophobicContact CZ2-CG2 3.48Å; W127-I307 VanDerWaalsContact CZ2-CG2 3.48Å; V303-I307 HydrophobicContact CG1-CG1 4.29Å; V303-I307 WeakPolarHBondContact O-CG1 3.47Å; V303-I307 PolarHBondContact O-N 3.28Å
308	Q	94.6	Very high	94.7	Very high	90 Å²	90	41.4 Å²	41.4	42%	0.421	22%	0.221	S	C	.	.			trans	-92.2	131.4	179.6	-60.3	-57.5	-45.1	0	0	111.3	Q44 L310	Q44-Q308 PolarHBondContact NE2-O 3.17Å; Q308-L310 HydrophobicContact CB-CD1 4.27Å; Q308-L310 HydrophobicContact CB-CD2 4.32Å; Q308-L310 HydrophobicContact CB-CG 3.83Å; Q308-L310 PolarHBondContact O-N 3.35Å
309	P	89.8	Confident	94.6	Very high	12 Å²	12	44.8 Å²	44.8	8%	0.078	24%	0.239	C	C	.	.			trans	-83.5	61.8	174.9	35.6	-37.2	0	0	0	111	W127 K130 K132	W127-P309 HydrophobicContact CB-CB 4.08Å; W127-P309 VanDerWaalsContact CD1-CB 3.47Å; W127-P309 VanDerWaalsContact CD1-CG 3.44Å; W127-P309 HydrophobicContact CD2-CB 3.99Å; W127-P309 HydrophobicContact CG-CB 3.58Å; W127-P309 HydrophobicContact CG-CG 4.05Å; K130-P309 HydrophobicContact CB-CG 4.42Å; K130-P309 HydrophobicContact CD-CB 4.4Å; K130-P309 HydrophobicContact CD-CG 3.37Å; K132-P309 HydrophobicContact CB-CB 3.73Å; K132-P309 HydrophobicContact CG-CB 3.85Å
310	L	83.8	Confident	94.4	Very high	165 Å²	165	44.5 Å²	44.5	86%	0.864	24%	0.244	S	C	*	.			trans	-71.5	0	177.6	-61.7	174.3	0	0	0	112	K132 Q308	K132-L310 WeakPolarHBondContact CE-O 3.25Å; K132-L310 PolarHBondContact NZ-O 2.98Å; Q308-L310 HydrophobicContact CB-CD1 4.27Å; Q308-L310 HydrophobicContact CB-CD2 4.32Å; Q308-L310 HydrophobicContact CB-CG 3.83Å; Q308-L310 PolarHBondContact O-N 3.35Å

Retrieved 310 of 310 residues in 299.6 ms (Link to these results)

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