A0A077Z9S2_TRITR Loading...

N-acetylgalactosaminide beta-1,3-galactosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z9S2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 aa.

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(Predicted Aligned Error values between residue pairs)

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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	40.3	Very low	35.2	Very low	236 Å²	236	157.9 Å²	157.9	100%	1.163	83%	0.826	S	S	*	*				0	105.8	0	-79	-177.4	178.2	0	0	108.6
2	T	30.7	Very low	34.6	Very low	141 Å²	141	151.7 Å²	151.7	87%	0.865	83%	0.828	S	S	*	*			trans	171.3	154.1	159.1	31.9	0	0	0	0	109.3
3	P	44.9	Very low	34.4	Very low	112 Å²	112	154.8 Å²	154.8	73%	0.727	83%	0.829	S	S	*	*			cis	-128.5	160	-24.2	31.5	-12.8	0	0	0	113.2	K5	P3-K5 PolarHBondContact O-N 2.83Å
4	V	38.3	Very low	34	Very low	142 Å²	142	150.7 Å²	150.7	86%	0.861	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-57.8	122	172.4	176.1	0	0	0	0	110.1	K6	V4-K6 PolarHBondContact O-N 3.38Å
5	K	37.1	Very low	34	Very low	201 Å²	201	150.9 Å²	150.9	87%	0.874	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.8	121.1	175	-78.5	-178.1	175.8	179.9	0	109.7	P3	P3-K5 PolarHBondContact O-N 2.83Å
6	K	34.1	Very low	33.8	Very low	200 Å²	200	147 Å²	147	87%	0.87	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-46.6	131.3	173.6	-84.6	173.2	170.2	174.9	0	111.8	V4 W8	V4-K6 PolarHBondContact O-N 3.38Å; K6-W8 PolarHBondContact O-N 3.3Å
7	A	37.6	Very low	33.9	Very low	91 Å²	91	146.7 Å²	146.7	75%	0.752	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-57.5	123.9	168.3	0	0	0	0	0	110.3	T9	A7-T9 PolarHBondContact O-N 2.83Å
8	W	25.3	Very low	34	Very low	230 Å²	230	151.3 Å²	151.3	87%	0.871	82%	0.817	S	S	*	*			trans	-66.4	114.5	165.7	-103.1	66.9	0	0	0	108.7	K6 P10	K6-W8 PolarHBondContact O-N 3.3Å; W8-P10 HydrophobicContact CE3-CB 4.44Å
9	T	29.9	Very low	34.1	Very low	129 Å²	129	147.8 Å²	147.8	79%	0.791	81%	0.811	S	S	*	*			trans	-104.9	103.1	160.3	36.5	0	0	0	0	106.6	A7 F11	A7-T9 PolarHBondContact O-N 2.83Å; T9-F11 PolarHBondContact O-N 3.45Å
10	P	33.5	Very low	34.2	Very low	91 Å²	91	145 Å²	145	59%	0.591	80%	0.802	S	S	*	*			trans	-76.3	112.8	176.7	27.8	-24.8	0	0	0	108.1	W8	W8-P10 HydrophobicContact CE3-CB 4.44Å
11	F	35.4	Very low	34.7	Very low	164 Å²	164	143.5 Å²	143.5	72%	0.719	79%	0.791	S	S	*	*			trans	58.8	97.4	154.7	-65.9	-87.5	0	0	0	117	T9 F13	T9-F11 PolarHBondContact O-N 3.45Å; F11-F13 HydrophobicContact CB-CD2 4.16Å; F11-F13 HydrophobicContact CB-CE2 4.2Å; F11-F13 PolarHBondContact O-N 3.41Å
12	G	27.9	Very low	34.8	Very low	83 Å²	83	141.1 Å²	141.1	86%	0.856	77%	0.774	S	S	*	*			trans	-60	101.5	154.8	0	0	0	0	0	110.5
13	F	32.7	Very low	35.3	Very low	192 Å²	192	138 Å²	138	84%	0.842	77%	0.77	S	S	*	*			trans	-93.3	94.7	157.5	-88.5	-84.8	0	0	0	108.5	F11	F11-F13 HydrophobicContact CB-CD2 4.16Å; F11-F13 HydrophobicContact CB-CE2 4.2Å; F11-F13 PolarHBondContact O-N 3.41Å
14	S	28.6	Very low	35.6	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	77%	0.774	S	S	*	*			trans	-76.3	119.4	163.8	171.8	0	0	0	0	109.2
15	I	33.2	Very low	35.9	Very low	153 Å²	153	142.5 Å²	142.5	79%	0.785	77%	0.768	S	S	*	*	S	Bend	trans	81.3	126.3	149.2	-59.8	165.4	0	0	0	119.5
16	S	31.7	Very low	36.4	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	76%	0.761	S	S	*	*			trans	88.1	62.6	153	-172.2	0	0	0	0	119.2	R18	S16-R18 PolarHBondContact O-N 2.85Å
17	C	35.5	Very low	37.2	Very low	142 Å²	142	135.6 Å²	135.6	96%	0.959	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	68.1	149.1	-83.9	0	0	0	0	110.9
18	R	34.9	Very low	38.1	Very low	230 Å²	230	135.6 Å²	135.6	87%	0.868	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.9	27.6	157.8	-112.8	-178.6	-145.1	-131.5	5.8	112.5	S16 S20	S16-R18 PolarHBondContact O-N 2.85Å; R18-S20 PolarHBondContact O-N 2.64Å
19	A	36.5	Very low	40	Very low	85 Å²	85	127.2 Å²	127.2	70%	0.702	72%	0.715	S	S	*	*			trans	-63.1	108.6	158.7	0	0	0	0	0	107.9	I21	A19-I21 PolarHBondContact O-N 2.97Å
20	S	36	Very low	42.2	Very low	90 Å²	90	125.9 Å²	125.9	63%	0.629	70%	0.695	S	S	*	*			trans	-62.1	94.8	-177.8	-146.3	0	0	0	0	109.3	R18 K22	R18-S20 PolarHBondContact O-N 2.64Å; S20-K22 PolarHBondContact O-N 3.34Å; S20-K22 WeakPolarHBondContact OG-CE 3.49Å; S20-K22 VanDerWaalsContact OG-CG 3.24Å; S20-K22 WeakPolarHBondContact OG-CG 3.31Å
21	I	44.4	Very low	44.4	Very low	114 Å²	114	126.4 Å²	126.4	59%	0.585	69%	0.693	S	S	*	*			trans	-73.5	72	164.9	-48.7	178	0	0	0	107	A19 G23 F24	A19-I21 PolarHBondContact O-N 2.97Å; I21-G23 PolarHBondContact O-N 2.95Å; I21-G23 VanDerWaalsContact O-N 3.13Å; I21-F24 HydrophobicContact CG2-CB 3.67Å
22	K	42	Very low	46.8	Very low	186 Å²	186	119.7 Å²	119.7	81%	0.809	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-6.2	179.7	-76.1	-174.5	172.2	178.4	0	113.6	S20	S20-K22 PolarHBondContact O-N 3.34Å; S20-K22 WeakPolarHBondContact OG-CE 3.49Å; S20-K22 VanDerWaalsContact OG-CG 3.24Å; S20-K22 WeakPolarHBondContact OG-CG 3.31Å
23	G	41.9	Very low	49.7	Very low	75 Å²	75	116.7 Å²	116.7	77%	0.773	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	-18.2	-176	0	0	0	0	0	116.3	I21	I21-G23 PolarHBondContact O-N 2.95Å; I21-G23 VanDerWaalsContact O-N 3.13Å
24	F	50.7	Low	52.5	Low	183 Å²	183	110.5 Å²	110.5	80%	0.803	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-22.9	-172.1	-130.9	-93.8	0	0	0	113.7	I21 I26	I21-F24 HydrophobicContact CG2-CB 3.67Å; F24-I26 PolarHBondContact O-N 3.41Å
25	F	45	Very low	55.5	Low	167 Å²	167	106.2 Å²	106.2	73%	0.732	58%	0.579	S	S	*	*			trans	-91.8	100.1	175.9	-68.8	-82	0	0	0	109.2	P27	F25-P27 WeakPolarHBondContact O-CD 3.42Å
26	I	48.3	Very low	58.4	Low	144 Å²	144	99.7 Å²	99.7	74%	0.738	55%	0.545	S	S	*	.			trans	-55.8	120.1	159.7	-55.5	173.4	0	0	0	105.5	F24 E28	F24-I26 PolarHBondContact O-N 3.41Å; I26-E28 PolarHBondContact O-N 2.82Å
27	P	49.5	Very low	61.4	Low	111 Å²	111	96 Å²	96	72%	0.721	52%	0.52	S	S	*	.			trans	-48.9	138.4	172.2	-23.5	32	0	0	0	108.5	F25 S29	F25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-S29 PolarHBondContact O-N 3.43Å
28	E	57.3	Low	64.3	Low	92 Å²	92	96.3 Å²	96.3	43%	0.43	51%	0.505	S	S	.	.			trans	-46.9	112.4	179.7	-176.9	172.2	-140.9	0	0	109.8	I26 R30 R281	I26-E28 PolarHBondContact O-N 2.82Å; E28-R30 VanDerWaalsContact C-N 3.26Å; E28-R30 HydrophobicContact CG-CG 4.34Å; E28-R30 PolarHBondContact O-N 2.85Å; E28-R281 IonicContact OE1-NH2 2.91Å; E28-R281 PolarHBondContact OE1-NH2 3.48Å
29	S	64.6	Low	67.2	Low	54 Å²	54	90.1 Å²	90.1	38%	0.378	49%	0.486	S	S	.	.			trans	-72.8	90.6	-179	-179	0	0	0	0	107.8	P27 L31	P27-S29 PolarHBondContact O-N 3.43Å; S29-L31 PolarHBondContact O-N 2.5Å; S29-L31 WeakPolarHBondContact OG-CB 3.32Å; S29-L31 VanDerWaalsContact OG-CD1 3.25Å; S29-L31 WeakPolarHBondContact OG-CD1 3.43Å; S29-L31 WeakPolarHBondContact OG-CG 3.06Å
30	R	76.5	Confident	70.1	Confident	100 Å²	100	86.5 Å²	86.5	38%	0.377	46%	0.455	S	S	.	.			trans	-74.8	6.4	169.8	-65.4	-170.8	64.7	-144.5	-17.5	112	E28 V32 A33 D34	E28-R30 VanDerWaalsContact C-N 3.26Å; E28-R30 HydrophobicContact CG-CG 4.34Å; E28-R30 PolarHBondContact O-N 2.85Å; R30-V32 VanDerWaalsContact C-N 3.3Å; R30-V32 PolarHBondContact O-N 3.03Å; R30-V32 VanDerWaalsContact O-N 3.15Å; R30-A33 CarbonylContact O-C 3.58Å; R30-A33 PolarHBondContact O-N 2.97Å; R30-D34 VanDerWaalsContact CB-OD2 3.25Å; R30-D34 WeakPolarHBondContact CB-OD2 3.48Å; R30-D34 IonicContact CZ-OD1 3.54Å; R30-D34 VanDerWaalsContact CZ-OD1 3.24Å; R30-D34 IonicContact NE-OD1 2.82Å; R30-D34 IonicContact NH1-OD1 3.18Å; R30-D34 IonicContact NH2-OD1 2.61Å; R30-D34 PolarHBondContact NH2-OD1 2.77Å; R30-D34 WeakPolarHBondContact O-CB 3.4Å; R30-D34 VanDerWaalsContact O-CG 3.3Å; R30-D34 PolarHBondContact O-N 3.5Å
31	L	78.8	Confident	73.1	Confident	102 Å²	102	86.1 Å²	86.1	53%	0.534	44%	0.44	S	S	.	.	H	α-helix	trans	-48.1	-48.5	-174.6	-69.5	176.6	0	0	0	112.9	S29 A35	S29-L31 PolarHBondContact O-N 2.5Å; S29-L31 WeakPolarHBondContact OG-CB 3.32Å; S29-L31 VanDerWaalsContact OG-CD1 3.25Å; S29-L31 WeakPolarHBondContact OG-CD1 3.43Å; S29-L31 WeakPolarHBondContact OG-CG 3.06Å; L31-A35 WeakPolarHBondContact O-CB 3.42Å; L31-A35 PolarHBondContact O-N 2.68Å
32	V	86	Confident	75.7	Confident	23 Å²	23	80.7 Å²	80.7	14%	0.139	41%	0.412	C	S	.	.	H	α-helix	trans	-68.1	-48.3	179.1	180	0	0	0	0	111.4	R30 D34 A35 I36 L293 V303	R30-V32 VanDerWaalsContact C-N 3.3Å; R30-V32 PolarHBondContact O-N 3.03Å; R30-V32 VanDerWaalsContact O-N 3.15Å; V32-D34 VanDerWaalsContact C-N 3.32Å; V32-D34 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 3.19Å; V32-I36 HydrophobicContact CG1-CD1 3.72Å; V32-I36 HydrophobicContact CG1-CG1 4.42Å; V32-I36 VanDerWaalsContact O-CG1 3.26Å; V32-I36 WeakPolarHBondContact O-CG1 3.18Å; V32-I36 PolarHBondContact O-N 2.98Å; V32-L293 HydrophobicContact CG1-CD1 4.03Å; V32-L293 HydrophobicContact CG2-CB 3.45Å; V32-L293 VanDerWaalsContact CG2-CB 3.45Å; V32-L293 HydrophobicContact CG2-CD1 3.72Å; V32-L293 HydrophobicContact CG2-CG 4.23Å; V32-V303 HydrophobicContact CB-CG1 4.41Å; V32-V303 HydrophobicContact CG1-CG1 4.11Å; V32-V303 HydrophobicContact CG2-CG1 4.4Å
33	A	90.6	Very high	78.4	Confident	21 Å²	21	72 Å²	72	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-42.1	-179.8	0	0	0	0	0	111.8	R30 A37 E130	R30-A33 CarbonylContact O-C 3.58Å; R30-A33 PolarHBondContact O-N 2.97Å; A33-A37 WeakPolarHBondContact O-CB 3.44Å; A33-A37 PolarHBondContact O-N 3.48Å; A33-E130 HydrophobicContact CB-CG 3.84Å
34	D	90.7	Very high	81.1	Confident	61 Å²	61	68.5 Å²	68.5	33%	0.326	34%	0.338	S	S	.	.	H	α-helix	trans	-73.5	-37.3	-179.5	-66.8	-21.2	0	0	0	111.6	R30 V32 A37 K38	R30-D34 VanDerWaalsContact CB-OD2 3.25Å; R30-D34 WeakPolarHBondContact CB-OD2 3.48Å; R30-D34 IonicContact CZ-OD1 3.54Å; R30-D34 VanDerWaalsContact CZ-OD1 3.24Å; R30-D34 IonicContact NE-OD1 2.82Å; R30-D34 IonicContact NH1-OD1 3.18Å; R30-D34 IonicContact NH2-OD1 2.61Å; R30-D34 PolarHBondContact NH2-OD1 2.77Å; R30-D34 WeakPolarHBondContact O-CB 3.4Å; R30-D34 VanDerWaalsContact O-CG 3.3Å; R30-D34 PolarHBondContact O-N 3.5Å; V32-D34 VanDerWaalsContact C-N 3.32Å; V32-D34 PolarHBondContact O-N 3.49Å; D34-A37 PolarHBondContact O-N 3.2Å; D34-K38 WeakPolarHBondContact O-CG 3.22Å; D34-K38 PolarHBondContact O-N 2.91Å
35	A	90.9	Very high	83.4	Confident	9 Å²	9	59.9 Å²	59.9	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-49.4	171.6	0	0	0	0	0	111.1	L31 V32 A37 K38 H300 V303	L31-A35 WeakPolarHBondContact O-CB 3.42Å; L31-A35 PolarHBondContact O-N 2.68Å; V32-A35 PolarHBondContact O-N 3.19Å; A35-A37 VanDerWaalsContact C-N 3.3Å; A35-A37 PolarHBondContact O-N 3.1Å; A35-K38 WeakPolarHBondContact O-CB 3.48Å; A35-K38 PolarHBondContact O-N 3.46Å; A35-H300 PolarHBondContact O-CE1 3.18Å; A35-V303 HydrophobicContact CB-CB 4.4Å; A35-V303 HydrophobicContact CB-CG1 3.76Å
36	I	93.8	Very high	85.9	Confident	15 Å²	15	51.9 Å²	51.9	8%	0.077	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-36.1	177.4	-61.8	168.8	0	0	0	110.8	V32 K38 E39 V40 R133 L137 I304 A307	V32-I36 HydrophobicContact CG1-CD1 3.72Å; V32-I36 HydrophobicContact CG1-CG1 4.42Å; V32-I36 VanDerWaalsContact O-CG1 3.26Å; V32-I36 WeakPolarHBondContact O-CG1 3.18Å; V32-I36 PolarHBondContact O-N 2.98Å; I36-K38 PolarHBondContact O-N 3.22Å; I36-E39 PolarHBondContact O-N 2.94Å; I36-E39 VanDerWaalsContact O-N 3.13Å; I36-V40 HydrophobicContact CG2-CB 4.44Å; I36-V40 HydrophobicContact CG2-CG2 4.1Å; I36-V40 PolarHBondContact O-N 3.33Å; I36-R133 HydrophobicContact CG2-CB 3.69Å; I36-R133 HydrophobicContact CG2-CG 4.42Å; I36-L137 HydrophobicContact CD1-CD1 4.24Å; I36-L137 HydrophobicContact CG1-CD1 4.46Å; I36-L137 HydrophobicContact CG2-CD1 4.08Å; I36-L137 HydrophobicContact CG2-CD2 4.37Å; I36-L137 HydrophobicContact CG2-CG 4.28Å; I36-I304 HydrophobicContact CG1-CD1 4.09Å; I36-A307 HydrophobicContact CD1-CB 3.7Å; I36-A307 HydrophobicContact CG1-CB 4.19Å
37	A	96	Very high	88.3	Confident	11 Å²	11	45.5 Å²	45.5	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-23.1	177.5	0	0	0	0	0	113.9	A33 D34 A35 N69 R133	A33-A37 WeakPolarHBondContact O-CB 3.44Å; A33-A37 PolarHBondContact O-N 3.48Å; D34-A37 PolarHBondContact O-N 3.2Å; A35-A37 VanDerWaalsContact C-N 3.3Å; A35-A37 PolarHBondContact O-N 3.1Å; A37-N69 PolarHBondContact O-ND2 3.39Å; A37-R133 VanDerWaalsContact CB-CZ 3.46Å
38	K	95.7	Very high	90.6	Very high	149 Å²	149	40.5 Å²	40.5	65%	0.648	20%	0.2	S	C	*	.	H	α-helix	trans	-74.7	-35.2	172.4	-69.7	170.7	-175.8	178.9	0	112.3	D34 A35 I36	D34-K38 WeakPolarHBondContact O-CG 3.22Å; D34-K38 PolarHBondContact O-N 2.91Å; A35-K38 WeakPolarHBondContact O-CB 3.48Å; A35-K38 PolarHBondContact O-N 3.46Å; I36-K38 PolarHBondContact O-N 3.22Å
39	E	95.3	Very high	92.4	Very high	101 Å²	101	36.3 Å²	36.3	47%	0.472	18%	0.181	S	C	.	.	H	α-helix	trans	-85.1	-32.5	179.5	-62.9	-55.4	138.6	0	0	113.5	I36 H300 I304	I36-E39 PolarHBondContact O-N 2.94Å; I36-E39 VanDerWaalsContact O-N 3.13Å; E39-H300 IonicContact OE1-CD2 3.87Å; E39-H300 IonicContact OE1-CE1 3.6Å; E39-H300 PolarHBondContact OE1-CE1 2.82Å; E39-H300 IonicContact OE1-NE2 2.8Å; E39-H300 PolarHBondContact OE1-NE2 2.85Å; E39-I304 HydrophobicContact CB-CD1 4.16Å; E39-I304 HydrophobicContact CG-CD1 3.47Å; E39-I304 VanDerWaalsContact CG-CD1 3.47Å; E39-I304 HydrophobicContact CG-CG1 3.78Å
40	V	97.9	Very high	93.9	Very high	8 Å²	8	40.4 Å²	40.4	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-116.6	86.5	-177	-174.5	0	0	0	0	108.7	I36 V42 R133 L136 L137	I36-V40 HydrophobicContact CG2-CB 4.44Å; I36-V40 HydrophobicContact CG2-CG2 4.1Å; I36-V40 PolarHBondContact O-N 3.33Å; V40-V42 HydrophobicContact CG1-CG2 4.3Å; V40-V42 PolarHBondContact O-N 3.3Å; V40-R133 HydrophobicContact CB-CB 4.37Å; V40-R133 HydrophobicContact CB-CG 4.07Å; V40-R133 HydrophobicContact CG1-CB 4.28Å; V40-R133 HydrophobicContact CG1-CG 3.92Å; V40-R133 PolarHBondContact O-NE 2.68Å; V40-L136 HydrophobicContact CG1-CB 3.71Å; V40-L136 HydrophobicContact CG1-CD1 3.87Å; V40-L136 HydrophobicContact CG1-CG 4.46Å; V40-L137 HydrophobicContact CG2-CD2 3.67Å; V40-L137 HydrophobicContact CG2-CG 4.14Å
41	R	98.7	Very high	94.8	Very high	82 Å²	82	38.6 Å²	38.6	31%	0.309	21%	0.205	S	C	.	.			trans	-86.3	114.8	-176	-55.9	171.6	-64.4	172.4	-5.8	110.5	N69 D114 Y115 D116 W117 R170	R41-N69 WeakPolarHBondContact CA-OD1 3.05Å; R41-N69 HydrophobicContact CB-CB 4.42Å; R41-D114 VanDerWaalsContact CZ-O 3.27Å; R41-D114 PolarHBondContact NH1-O 3Å; R41-Y115 HydrophobicContact CB-CD1 4.07Å; R41-D116 VanDerWaalsContact CB-OD2 3.29Å; R41-D116 WeakPolarHBondContact CB-OD2 3.28Å; R41-D116 WeakPolarHBondContact CG-OD2 3.47Å; R41-D116 IonicContact CZ-OD1 2.93Å; R41-D116 IonicContact CZ-OD2 3.05Å; R41-D116 PolarHBondContact N-OD2 2.88Å; R41-D116 VanDerWaalsContact N-OD2 3.1Å; R41-D116 IonicContact NE-OD1 3.7Å; R41-D116 IonicContact NE-OD2 3.97Å; R41-D116 PolarHBondContact NE-OD2 2.88Å; R41-D116 IonicContact NH2-OD1 2.86Å; R41-D116 PolarHBondContact NH2-OD1 2.94Å; R41-D116 IonicContact NH2-OD2 3.71Å; R41-D116 PolarHBondContact O-N 3.18Å; R41-W117 PolarHBondContact O-N 2.83Å; R41-W117 VanDerWaalsContact O-N 3.14Å; R41-R170 VanDerWaalsContact NH2-NH2 3.11Å
42	V	98.9	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.3	-178.2	-172.6	0	0	0	0	110	V40 N69 W117 L119 L129 L132 R133 L136	V40-V42 HydrophobicContact CG1-CG2 4.3Å; V40-V42 PolarHBondContact O-N 3.3Å; V42-N69 PolarHBondContact N-OD1 3.05Å; V42-N69 WeakPolarHBondContact O-CB 3.29Å; V42-N69 PolarHBondContact O-N 2.97Å; V42-W117 WeakPolarHBondContact CA-O 3.41Å; V42-W117 HydrophobicContact CG1-CB 4.45Å; V42-W117 HydrophobicContact CG2-CB 4.21Å; V42-L119 HydrophobicContact CG1-CB 3.98Å; V42-L129 HydrophobicContact CB-CD1 4.44Å; V42-L129 HydrophobicContact CG1-CD1 4.26Å; V42-L132 HydrophobicContact CG1-CD2 4.21Å; V42-R133 HydrophobicContact CG2-CG 4.37Å; V42-L136 HydrophobicContact CG2-CD1 3.9Å
43	F	98.9	Very high	96.3	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.022	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.9	165.7	-167.2	-97.9	0	0	0	109.7	W45 G70 M72 I107 R111 Y115 W117 F118 L119	F43-W45 HydrophobicContact CE1-CB 4.47Å; F43-G70 WeakPolarHBondContact CA-O 3.31Å; F43-M72 HydrophobicContact CE1-CB 4.33Å; F43-M72 HydrophobicContact CE1-CG 3.87Å; F43-M72 HydrophobicContact CE1-SD 4.12Å; F43-M72 HydrophobicContact CZ-CB 4.06Å; F43-M72 HydrophobicContact CZ-CG 4.09Å; F43-M72 HydrophobicContact CZ-SD 4.4Å; F43-I107 HydrophobicContact CD1-CD1 4.07Å; F43-I107 HydrophobicContact CD1-CG1 4.16Å; F43-I107 HydrophobicContact CD1-CG2 4.26Å; F43-I107 HydrophobicContact CE1-CD1 3.95Å; F43-I107 HydrophobicContact CE1-CG1 3.78Å; F43-R111 HydrophobicContact CD2-CG 4.4Å; F43-R111 HydrophobicContact CE2-CB 4.5Å; F43-R111 HydrophobicContact CE2-CG 3.91Å; F43-R111 HydrophobicContact CZ-CG 4.02Å; F43-Y115 HydrophobicContact CB-CD1 3.96Å; F43-Y115 HydrophobicContact CB-CD2 3.74Å; F43-Y115 HydrophobicContact CB-CE1 4.42Å; F43-Y115 HydrophobicContact CB-CE2 4.26Å; F43-Y115 HydrophobicContact CB-CG 3.61Å; F43-Y115 HydrophobicContact CD2-CD1 4.43Å; F43-Y115 AromaticContact CD2-CD2 3.74Å; F43-Y115 HydrophobicContact CD2-CD2 3.74Å; F43-Y115 HydrophobicContact CD2-CE1 4.09Å; F43-Y115 AromaticContact CD2-CE2 3.38Å; F43-Y115 HydrophobicContact CD2-CE2 3.38Å; F43-Y115 HydrophobicContact CD2-CG 4.29Å; F43-Y115 AromaticContact CD2-CZ 3.59Å; F43-Y115 HydrophobicContact CE2-CE2 4.09Å; F43-Y115 HydrophobicContact CG-CD2 4.06Å; F43-Y115 HydrophobicContact CG-CE2 4.17Å; F43-Y115 HydrophobicContact CG-CG 4.39Å; F43-W117 PolarHBondContact N-O 3.34Å; F43-F118 HydrophobicContact CB-CD1 3.8Å; F43-F118 HydrophobicContact CB-CE1 4Å; F43-F118 HydrophobicContact CD1-CD1 4.34Å; F43-F118 HydrophobicContact CG-CD1 4.42Å; F43-F118 WeakPolarHBondContact O-CA 3.44Å; F43-L119 PolarHBondContact O-N 2.81Å
44	C	98.9	Very high	96.6	Very high	1 Å²	1	43 Å²	43	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.5	-178.5	-61.8	0	0	0	0	110.4	W64 L65 C68 G70 Y71 M72	C44-W64 HydrophobicContact CB-CZ3 4.49Å; C44-L65 HydrophobicContact CB-CD1 3.66Å; C44-C68 HydrophobicContact CB-CB 3.69Å; C44-C68 WeakPolarHBondContact CB-SG 3.42Å; C44-C68 WeakPolarHBondContact SG-CB 3.25Å; C44-C68 CovalentContact SG-SG 2.02Å; C44-C68 PolarHBondContact SG-SG 3.45Å; C44-G70 PolarHBondContact N-O 3.3Å; C44-Y71 CarbonylContact O-C 3.59Å; C44-Y71 WeakPolarHBondContact O-CA 3.32Å; C44-Y71 VanDerWaalsContact O-CB 3.29Å; C44-Y71 WeakPolarHBondContact O-CB 3.43Å; C44-M72 PolarHBondContact O-N 3.06Å
45	W	98.5	Very high	97	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.3	169.4	90.2	-92.5	0	0	0	110.5	F43 L47 M72 T100 A103 F104 I107 L119 K120 A121	F43-W45 HydrophobicContact CE1-CB 4.47Å; W45-L47 HydrophobicContact CE3-CB 4.42Å; W45-L47 HydrophobicContact CH2-CB 3.81Å; W45-L47 HydrophobicContact CH2-CD1 3.94Å; W45-L47 HydrophobicContact CH2-CD2 4.34Å; W45-L47 HydrophobicContact CH2-CG 4.24Å; W45-L47 HydrophobicContact CZ3-CB 3.54Å; W45-L47 HydrophobicContact CZ3-CD1 3.79Å; W45-L47 HydrophobicContact CZ3-CG 4.2Å; W45-M72 VanDerWaalsContact CA-O 3.31Å; W45-M72 WeakPolarHBondContact CA-O 3.42Å; W45-M72 HydrophobicContact CB-CE 3.95Å; W45-M72 HydrophobicContact CB-CG 3.81Å; W45-M72 HydrophobicContact CG-CE 4.4Å; W45-T100 HydrophobicContact CZ2-CG2 4.4Å; W45-A103 HydrophobicContact CD2-CB 4.06Å; W45-A103 HydrophobicContact CE3-CB 3.94Å; W45-A103 HydrophobicContact CH2-CB 4.1Å; W45-A103 HydrophobicContact CZ2-CB 4.19Å; W45-A103 HydrophobicContact CZ3-CB 3.95Å; W45-F104 AromaticContact CD1-CE1 3.79Å; W45-F104 AromaticContact CD1-CZ 3.9Å; W45-F104 HydrophobicContact CZ2-CE2 4.36Å; W45-F104 AromaticContact NE1-CE1 3.49Å; W45-F104 AromaticContact NE1-CE2 3.6Å; W45-F104 AromaticContact NE1-CZ 3.17Å; W45-I107 HydrophobicContact CB-CD1 3.76Å; W45-I107 HydrophobicContact CG-CD1 3.87Å; W45-L119 PolarHBondContact N-O 3.03Å; W45-K120 HydrophobicContact CD2-CG 4.13Å; W45-K120 HydrophobicContact CH2-CG 4Å; W45-K120 HydrophobicContact CZ2-CB 4.12Å; W45-K120 HydrophobicContact CZ2-CD 4.3Å; W45-K120 HydrophobicContact CZ2-CG 3.2Å; W45-K120 VanDerWaalsContact NE1-CB 3.27Å; W45-K120 WeakPolarHBondContact O-CA 3.23Å; W45-A121 PolarHBondContact O-N 2.02Å
46	V	98.8	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.4	-176.5	-178.4	0	0	0	0	109.1	V60 W64 L65 M72 F73 G74 A121 D123	V46-V60 HydrophobicContact CG1-CG1 4.36Å; V46-V60 HydrophobicContact CG2-CG1 4.05Å; V46-W64 HydrophobicContact CG2-CH2 3.89Å; V46-W64 HydrophobicContact CG2-CZ2 4.21Å; V46-L65 HydrophobicContact CG2-CD1 3.75Å; V46-L65 HydrophobicContact CG2-CD2 4.37Å; V46-M72 PolarHBondContact N-O 3.31Å; V46-F73 HydrophobicContact CB-CD1 3.56Å; V46-F73 HydrophobicContact CB-CE1 3.75Å; V46-F73 HydrophobicContact CB-CG 4.39Å; V46-F73 HydrophobicContact CG1-CD1 3.76Å; V46-F73 HydrophobicContact CG1-CE1 3.75Å; V46-F73 HydrophobicContact CG2-CD1 4.36Å; V46-F73 HydrophobicContact CG2-CE1 4.12Å; V46-F73 CarbonylContact O-C 3.59Å; V46-F73 WeakPolarHBondContact O-CA 3.37Å; V46-G74 PolarHBondContact O-N 2.73Å; V46-A121 CarbonylContact C-O 3.48Å; V46-A121 VanDerWaalsContact CA-O 3.32Å; V46-A121 WeakPolarHBondContact CA-O 3.45Å; V46-D123 HydrophobicContact CG1-CB 4.28Å
47	L	98.5	Very high	97.6	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.8	176	-177.8	57.3	0	0	0	109.8	W45 L96 K99 A121 D123	W45-L47 HydrophobicContact CE3-CB 4.42Å; W45-L47 HydrophobicContact CH2-CB 3.81Å; W45-L47 HydrophobicContact CH2-CD1 3.94Å; W45-L47 HydrophobicContact CH2-CD2 4.34Å; W45-L47 HydrophobicContact CH2-CG 4.24Å; W45-L47 HydrophobicContact CZ3-CB 3.54Å; W45-L47 HydrophobicContact CZ3-CD1 3.79Å; W45-L47 HydrophobicContact CZ3-CG 4.2Å; L47-L96 HydrophobicContact CD1-CD2 4.33Å; L47-L96 HydrophobicContact CD2-CB 4.34Å; L47-L96 HydrophobicContact CD2-CD2 3.89Å; L47-L96 HydrophobicContact CD2-CG 4.44Å; L47-L96 HydrophobicContact CG-CD2 4.32Å; L47-K99 HydrophobicContact CD1-CB 3.89Å; L47-K99 HydrophobicContact CD1-CD 3.66Å; L47-K99 HydrophobicContact CD1-CG 4.41Å; L47-A121 PolarHBondContact N-O 3.36Å; L47-D123 PolarHBondContact O-N 3.31Å
48	T	97.5	Very high	97.7	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.037	24%	0.242	C	C	.	.			trans	-150.4	-179.9	179.2	-165.6	0	0	0	0	112	N52 A57 F73 G74 S75 K99 D123	T48-N52 WeakPolarHBondContact OG1-CB 3.25Å; T48-A57 HydrophobicContact CG2-CB 4.38Å; T48-F73 HydrophobicContact CG2-CB 3.96Å; T48-F73 HydrophobicContact CG2-CD1 4.08Å; T48-F73 HydrophobicContact CG2-CG 4.48Å; T48-G74 PolarHBondContact N-O 2.9Å; T48-G74 VanDerWaalsContact O-O 3.07Å; T48-S75 PolarHBondContact O-OG 2.93Å; T48-K99 PolarHBondContact O-NZ 3.08Å; T48-K99 VanDerWaalsContact O-NZ 3.15Å; T48-D123 WeakPolarHBondContact CA-OD2 3.36Å; T48-D123 WeakPolarHBondContact CB-OD2 3.35Å; T48-D123 PolarHBondContact OG1-OD2 3.34Å
49	G	95.3	Very high	97.8	Very high	4 Å²	4	43.6 Å²	43.6	4%	0.041	22%	0.221	C	C	.	.			trans	-139.7	161.7	177.1	0	0	0	0	0	111.8	G51 N52 H53 S75 E91	G49-G51 PolarHBondContact O-N 3.14Å; G49-G51 VanDerWaalsContact O-N 3.1Å; G49-N52 WeakPolarHBondContact O-CA 3.21Å; G49-N52 PolarHBondContact O-N 2.94Å; G49-H53 PolarHBondContact O-CD2 2.93Å; G49-H53 PolarHBondContact O-N 2.87Å; G49-S75 WeakPolarHBondContact CA-OG 3.34Å; G49-E91 VanDerWaalsContact CA-CD 3.5Å; G49-E91 WeakPolarHBondContact CA-OE1 3.49Å; G49-E91 WeakPolarHBondContact CA-OE2 3.5Å
50	K	95.7	Very high	98	Very high	140 Å²	140	38.8 Å²	38.8	61%	0.609	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-47.1	-43.9	-177.7	-174.7	-168.6	-175.9	177.3	0	113.1	N52 H53 V77	K50-N52 PolarHBondContact O-N 2.82Å; K50-H53 PolarHBondContact O-N 3.02Å; K50-V77 HydrophobicContact CB-CB 4.39Å; K50-V77 HydrophobicContact CB-CG2 4.09Å; K50-V77 HydrophobicContact CD-CG2 3.99Å; K50-V77 HydrophobicContact CG-CB 4.4Å; K50-V77 HydrophobicContact CG-CG2 4.14Å
51	G	95.6	Very high	98	Very high	62 Å²	62	41.3 Å²	41.3	64%	0.639	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-66.4	-21.5	-179.8	0	0	0	0	0	114.5	G49 T55	G49-G51 PolarHBondContact O-N 3.14Å; G49-G51 VanDerWaalsContact O-N 3.1Å; G51-T55 PolarHBondContact O-OG1 2.82Å
52	N	97.5	Very high	98	Very high	49 Å²	49	40 Å²	40	26%	0.262	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-99.3	-6.9	-177.5	-71.7	-5.1	0	0	0	113.6	T48 G49 K50 K54 T55 R56 A57 D123	T48-N52 WeakPolarHBondContact OG1-CB 3.25Å; G49-N52 WeakPolarHBondContact O-CA 3.21Å; G49-N52 PolarHBondContact O-N 2.94Å; K50-N52 PolarHBondContact O-N 2.82Å; N52-K54 PolarHBondContact O-N 2.98Å; N52-T55 WeakPolarHBondContact CA-OG1 3.39Å; N52-T55 PolarHBondContact O-N 2.96Å; N52-R56 HydrophobicContact CB-CB 4.22Å; N52-R56 HydrophobicContact CB-CG 4.36Å; N52-R56 PolarHBondContact O-N 3.47Å; N52-A57 PolarHBondContact O-N 3.03Å; N52-D123 WeakPolarHBondContact CB-OD2 3.39Å; N52-D123 PolarHBondContact ND2-OD1 3.48Å; N52-D123 PolarHBondContact ND2-OD2 2.74Å
53	H	98.2	Very high	98	Very high	11 Å²	11	40 Å²	40	5%	0.051	22%	0.216	C	C	.	.	I	π-helix	trans	-52.9	-55.5	-178.9	-73.3	-174.8	0	0	0	111.1	G49 K50 V58 S75 D79 L82	G49-H53 PolarHBondContact O-CD2 2.93Å; G49-H53 PolarHBondContact O-N 2.87Å; K50-H53 PolarHBondContact O-N 3.02Å; H53-V58 WeakPolarHBondContact O-CG1 3.29Å; H53-V58 PolarHBondContact O-N 3.15Å; H53-S75 WeakPolarHBondContact NE2-CB 3.3Å; H53-S75 PolarHBondContact NE2-OG 2.94Å; H53-D79 IonicContact ND1-OD2 3.93Å; H53-L82 HydrophobicContact CB-CD2 3.93Å
54	K	97.8	Very high	98	Very high	178 Å²	178	39.8 Å²	39.8	77%	0.774	22%	0.215	S	C	*	.	I	π-helix	trans	-82.6	-24	-178.1	-64.1	-173.7	179.4	-176.9	0	114.6	N52 V58	N52-K54 PolarHBondContact O-N 2.98Å; K54-V58 WeakPolarHBondContact O-CG2 3.37Å
55	T	98.1	Very high	97.9	Very high	77 Å²	77	39.8 Å²	39.8	47%	0.472	22%	0.215	S	C	.	.	I	π-helix	trans	-97.9	-17.3	-172.1	56	0	0	0	0	113.1	G51 N52 H59 P267	G51-T55 PolarHBondContact O-OG1 2.82Å; N52-T55 WeakPolarHBondContact CA-OG1 3.39Å; N52-T55 PolarHBondContact O-N 2.96Å; T55-H59 PolarHBondContact O-CD2 2.84Å; T55-P267 WeakPolarHBondContact O-CG 3.46Å
56	R	98.4	Very high	97.8	Very high	79 Å²	79	45.2 Å²	45.2	30%	0.298	24%	0.238	S	C	.	.	I	π-helix	trans	-139.9	-55.7	-177.1	-60.7	-174.5	180	-160.3	-9.4	113	N52 V58 H59 V60 D123 D124	N52-R56 HydrophobicContact CB-CB 4.22Å; N52-R56 HydrophobicContact CB-CG 4.36Å; N52-R56 PolarHBondContact O-N 3.47Å; R56-V58 VanDerWaalsContact C-N 3.34Å; R56-V58 PolarHBondContact O-N 3.4Å; R56-H59 WeakPolarHBondContact O-CA 3.33Å; R56-H59 WeakPolarHBondContact O-CB 3.47Å; R56-H59 PolarHBondContact O-N 3.3Å; R56-V60 PolarHBondContact O-N 2.86Å; R56-V60 VanDerWaalsContact O-N 3.12Å; R56-D123 HydrophobicContact CB-CB 4.03Å; R56-D123 WeakPolarHBondContact CB-O 3.49Å; R56-D123 WeakPolarHBondContact CD-OD1 3.42Å; R56-D123 IonicContact CZ-OD1 3.95Å; R56-D123 IonicContact NE-OD1 2.85Å; R56-D123 IonicContact NH1-OD1 3.58Å; R56-D123 PolarHBondContact NH1-OD1 3.46Å; R56-D124 IonicContact CZ-OD2 3.52Å; R56-D124 IonicContact NH1-OD2 3.65Å; R56-D124 PolarHBondContact NH1-OD2 3.35Å; R56-D124 IonicContact NH2-OD2 2.72Å
57	A	98.5	Very high	97.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-63.4	-36.9	-170.6	0	0	0	0	0	113.1	T48 N52 H59 V60 K61 F73 L82	T48-A57 HydrophobicContact CG2-CB 4.38Å; N52-A57 PolarHBondContact O-N 3.03Å; A57-H59 PolarHBondContact O-N 3.1Å; A57-V60 WeakPolarHBondContact O-CB 3.1Å; A57-V60 PolarHBondContact O-N 3.1Å; A57-K61 PolarHBondContact O-N 3.13Å; A57-F73 HydrophobicContact CB-CD1 3.82Å; A57-F73 HydrophobicContact CB-CE1 3.63Å; A57-F73 HydrophobicContact CB-CZ 4.35Å; A57-F73 WeakPolarHBondContact O-CZ 3.46Å; A57-L82 HydrophobicContact CB-CD1 4.02Å; A57-L82 HydrophobicContact CB-CD2 3.64Å; A57-L82 HydrophobicContact CB-CG 4.4Å
58	V	98.5	Very high	97.8	Very high	56 Å²	56	46.1 Å²	46.1	34%	0.339	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-33.3	172.3	-72.2	0	0	0	0	112.9	H53 K54 R56 K61 A62 L82	H53-V58 WeakPolarHBondContact O-CG1 3.29Å; H53-V58 PolarHBondContact O-N 3.15Å; K54-V58 WeakPolarHBondContact O-CG2 3.37Å; R56-V58 VanDerWaalsContact C-N 3.34Å; R56-V58 PolarHBondContact O-N 3.4Å; V58-K61 PolarHBondContact O-N 3.41Å; V58-A62 WeakPolarHBondContact O-CB 3.42Å; V58-A62 PolarHBondContact O-N 3.1Å; V58-L82 HydrophobicContact CG1-CD1 4.19Å
59	H	98.8	Very high	97.8	Very high	45 Å²	45	48.8 Å²	48.8	21%	0.208	26%	0.257	C	S	.	.	H	α-helix	trans	-77.8	-36.2	179.3	-56.6	-65.1	0	0	0	111.6	T55 R56 A57 K61 A62 T63 P267 M270 Y271	T55-H59 PolarHBondContact O-CD2 2.84Å; R56-H59 WeakPolarHBondContact O-CA 3.33Å; R56-H59 WeakPolarHBondContact O-CB 3.47Å; R56-H59 PolarHBondContact O-N 3.3Å; A57-H59 PolarHBondContact O-N 3.1Å; H59-K61 VanDerWaalsContact C-N 3.31Å; H59-K61 PolarHBondContact O-N 2.87Å; H59-A62 PolarHBondContact O-N 3.16Å; H59-T63 WeakPolarHBondContact O-CB 3.49Å; H59-T63 WeakPolarHBondContact O-CG2 3.37Å; H59-T63 PolarHBondContact O-N 3.15Å; H59-T63 PolarHBondContact O-OG1 2.94Å; H59-P267 HydrophobicContact CB-CB 4.14Å; H59-P267 HydrophobicContact CB-CG 4.49Å; H59-P267 VanDerWaalsContact CD2-CB 3.48Å; H59-P267 WeakPolarHBondContact CD2-CB 3.13Å; H59-P267 VanDerWaalsContact CD2-CG 3.49Å; H59-P267 WeakPolarHBondContact CD2-CG 3.47Å; H59-M270 HydrophobicContact CB-SD 4.07Å; H59-Y271 HydrophobicContact CB-CE2 4.18Å; H59-Y271 AromaticContact ND1-CE2 3.36Å; H59-Y271 WeakPolarHBondContact ND1-CE2 3.45Å; H59-Y271 AromaticContact ND1-CZ 3.59Å; H59-Y271 PolarHBondContact ND1-OH 3.03Å
60	V	98.8	Very high	98	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.5	-47.6	167	170.1	0	0	0	0	110.4	V46 R56 A57 A62 T63 W64 L65 F73 D123 M270	V46-V60 HydrophobicContact CG1-CG1 4.36Å; V46-V60 HydrophobicContact CG2-CG1 4.05Å; R56-V60 PolarHBondContact O-N 2.86Å; R56-V60 VanDerWaalsContact O-N 3.12Å; A57-V60 WeakPolarHBondContact O-CB 3.1Å; A57-V60 PolarHBondContact O-N 3.1Å; V60-A62 PolarHBondContact O-N 3.3Å; V60-T63 PolarHBondContact O-N 3.17Å; V60-W64 HydrophobicContact CG1-CD2 4.4Å; V60-W64 HydrophobicContact CG1-CH2 4.25Å; V60-W64 HydrophobicContact CG1-CZ2 3.47Å; V60-W64 VanDerWaalsContact CG1-CZ2 3.47Å; V60-W64 PolarHBondContact O-N 3.19Å; V60-L65 HydrophobicContact CG1-CB 3.95Å; V60-L65 HydrophobicContact CG1-CD2 4.24Å; V60-L65 HydrophobicContact CG1-CG 4.49Å; V60-L65 VanDerWaalsContact O-CB 3.27Å; V60-L65 WeakPolarHBondContact O-CB 3.49Å; V60-L65 PolarHBondContact O-N 3.27Å; V60-L65 VanDerWaalsContact O-N 3.14Å; V60-F73 HydrophobicContact CB-CE1 4.25Å; V60-F73 HydrophobicContact CB-CZ 4.41Å; V60-F73 HydrophobicContact CG1-CE1 4.07Å; V60-F73 HydrophobicContact CG1-CZ 4.18Å; V60-D123 WeakPolarHBondContact CG2-O 3.43Å; V60-M270 HydrophobicContact CG2-CE 3.58Å; V60-M270 HydrophobicContact CG2-SD 3.91Å
61	K	98.6	Very high	98.1	Very high	62 Å²	62	46.6 Å²	46.6	27%	0.27	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-41.5	177.3	-173.3	170.7	-179.5	165.3	0	112.8	A57 V58 H59 T63 Y71 F73 Q81 L82	A57-K61 PolarHBondContact O-N 3.13Å; V58-K61 PolarHBondContact O-N 3.41Å; H59-K61 VanDerWaalsContact C-N 3.31Å; H59-K61 PolarHBondContact O-N 2.87Å; K61-T63 VanDerWaalsContact C-N 3.32Å; K61-Y71 WeakPolarHBondContact CE-OH 3.44Å; K61-Y71 PolarHBondContact NZ-OH 3.13Å; K61-Y71 VanDerWaalsContact NZ-OH 3.14Å; K61-F73 HydrophobicContact CB-CE2 4.21Å; K61-F73 HydrophobicContact CB-CZ 3.97Å; K61-F73 HydrophobicContact CD-CE2 4.43Å; K61-Q81 PolarHBondContact NZ-O 3.44Å; K61-L82 HydrophobicContact CB-CD1 4.37Å; K61-L82 HydrophobicContact CD-CD1 4.12Å; K61-L82 WeakPolarHBondContact CD-O 3.46Å; K61-L82 PolarHBondContact NZ-O 2.94Å
62	A	98.2	Very high	98.3	Very high	53 Å²	53	44.2 Å²	44.2	44%	0.438	22%	0.22	S	C	.	.	H	α-helix	trans	-73.6	-21.4	-178.5	0	0	0	0	0	113.9	V58 H59 V60	V58-A62 WeakPolarHBondContact O-CB 3.42Å; V58-A62 PolarHBondContact O-N 3.1Å; H59-A62 PolarHBondContact O-N 3.16Å; V60-A62 PolarHBondContact O-N 3.3Å
63	T	98.6	Very high	98.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-97.8	-175.2	58	0	0	0	0	111.5	H59 V60 K61 K66 M270 Y271 E274	H59-T63 WeakPolarHBondContact O-CB 3.49Å; H59-T63 WeakPolarHBondContact O-CG2 3.37Å; H59-T63 PolarHBondContact O-N 3.15Å; H59-T63 PolarHBondContact O-OG1 2.94Å; V60-T63 PolarHBondContact O-N 3.17Å; K61-T63 VanDerWaalsContact C-N 3.32Å; T63-K66 WeakPolarHBondContact O-CD 3.2Å; T63-K66 WeakPolarHBondContact O-CE 3.31Å; T63-K66 WeakPolarHBondContact O-CG 3.4Å; T63-M270 HydrophobicContact CG2-CB 4.2Å; T63-Y271 HydrophobicContact CG2-CD1 3.91Å; T63-Y271 HydrophobicContact CG2-CE1 3.85Å; T63-Y271 HydrophobicContact CG2-CG 4.45Å; T63-E274 HydrophobicContact CG2-CB 4.32Å
64	W	98.5	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-26.8	-166.5	66.9	-95.8	0	0	0	115.4	C44 V46 V60 K66 R67 L119 A121 T125 Y126 V127 L129	C44-W64 HydrophobicContact CB-CZ3 4.49Å; V46-W64 HydrophobicContact CG2-CH2 3.89Å; V46-W64 HydrophobicContact CG2-CZ2 4.21Å; V60-W64 HydrophobicContact CG1-CD2 4.4Å; V60-W64 HydrophobicContact CG1-CH2 4.25Å; V60-W64 HydrophobicContact CG1-CZ2 3.47Å; V60-W64 VanDerWaalsContact CG1-CZ2 3.47Å; V60-W64 PolarHBondContact O-N 3.19Å; W64-K66 PolarHBondContact O-N 3.1Å; W64-K66 VanDerWaalsContact O-N 3.15Å; W64-R67 PolarHBondContact O-N 3.28Å; W64-L119 HydrophobicContact CZ3-CD2 4.32Å; W64-A121 HydrophobicContact CH2-CB 3.68Å; W64-A121 HydrophobicContact CZ2-CB 3.92Å; W64-T125 PolarHBondContact NE1-O 2.85Å; W64-Y126 HydrophobicContact CB-CD2 4.33Å; W64-Y126 HydrophobicContact CB-CE1 4.4Å; W64-Y126 HydrophobicContact CB-CE2 4.03Å; W64-Y126 AromaticContact CD1-CD2 3.54Å; W64-Y126 AromaticContact CD1-CG 3.93Å; W64-Y126 HydrophobicContact CG-CD2 4.25Å; W64-Y126 HydrophobicContact CG-CE2 4.41Å; W64-Y126 HydrophobicContact CG-CG 4.48Å; W64-V127 VanDerWaalsContact CB-O 3.25Å; W64-V127 WeakPolarHBondContact CB-O 3.46Å; W64-V127 HydrophobicContact CD2-CB 4.04Å; W64-V127 HydrophobicContact CD2-CG2 4.28Å; W64-V127 HydrophobicContact CE3-CB 3.77Å; W64-V127 HydrophobicContact CE3-CG2 4.15Å; W64-V127 HydrophobicContact CH2-CB 4.47Å; W64-V127 HydrophobicContact CH2-CG2 3.97Å; W64-V127 HydrophobicContact CZ2-CG2 4.08Å; W64-V127 HydrophobicContact CZ3-CB 4.01Å; W64-V127 HydrophobicContact CZ3-CG2 4Å; W64-L129 HydrophobicContact CE3-CD2 3.65Å; W64-L129 HydrophobicContact CZ3-CD2 4.13Å
65	L	98.6	Very high	98.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-64	-26.1	-174.9	-166.6	67.4	0	0	0	112.5	C44 V46 V60 R67 C68 Y71 F73	C44-L65 HydrophobicContact CB-CD1 3.66Å; V46-L65 HydrophobicContact CG2-CD1 3.75Å; V46-L65 HydrophobicContact CG2-CD2 4.37Å; V60-L65 HydrophobicContact CG1-CB 3.95Å; V60-L65 HydrophobicContact CG1-CD2 4.24Å; V60-L65 HydrophobicContact CG1-CG 4.49Å; V60-L65 VanDerWaalsContact O-CB 3.27Å; V60-L65 WeakPolarHBondContact O-CB 3.49Å; V60-L65 PolarHBondContact O-N 3.27Å; V60-L65 VanDerWaalsContact O-N 3.14Å; L65-R67 PolarHBondContact O-N 3.14Å; L65-R67 VanDerWaalsContact O-N 3.08Å; L65-C68 WeakPolarHBondContact O-CB 3.25Å; L65-C68 PolarHBondContact O-N 3.46Å; L65-Y71 HydrophobicContact CD1-CG 4.37Å; L65-Y71 HydrophobicContact CD2-CD1 4.26Å; L65-Y71 HydrophobicContact CD2-CD2 3.58Å; L65-Y71 HydrophobicContact CD2-CE2 4.18Å; L65-Y71 HydrophobicContact CD2-CG 3.66Å; L65-Y71 HydrophobicContact CG-CD1 4.2Å; L65-Y71 HydrophobicContact CG-CD2 4.31Å; L65-Y71 HydrophobicContact CG-CG 3.86Å; L65-F73 HydrophobicContact CD2-CD2 4.36Å; L65-F73 HydrophobicContact CD2-CE1 4.15Å; L65-F73 HydrophobicContact CD2-CE2 3.38Å; L65-F73 HydrophobicContact CD2-CZ 3.25Å
66	K	96.3	Very high	98.2	Very high	116 Å²	116	30.3 Å²	30.3	50%	0.504	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-59.6	-18.2	176.1	78.6	-166.3	173.6	-166.3	0	113.8	T63 W64 E274	T63-K66 WeakPolarHBondContact O-CD 3.2Å; T63-K66 WeakPolarHBondContact O-CE 3.31Å; T63-K66 WeakPolarHBondContact O-CG 3.4Å; W64-K66 PolarHBondContact O-N 3.1Å; W64-K66 VanDerWaalsContact O-N 3.15Å; K66-E274 WeakPolarHBondContact CE-OE1 3.45Å; K66-E274 IonicContact NZ-OE1 3.61Å; K66-E274 PolarHBondContact NZ-OE1 3.25Å
67	R	97.5	Very high	98.1	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.049	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-89.5	-6.5	178.6	-68.8	177.4	-84.8	-91.2	4	113.3	W64 L65 Y126 L129 E130 R133 E274 Y278	W64-R67 PolarHBondContact O-N 3.28Å; L65-R67 PolarHBondContact O-N 3.14Å; L65-R67 VanDerWaalsContact O-N 3.08Å; R67-Y126 PolarHBondContact NH2-OH 3.17Å; R67-L129 HydrophobicContact CB-CB 3.86Å; R67-L129 HydrophobicContact CB-CD2 4.45Å; R67-L129 HydrophobicContact CB-CG 4.1Å; R67-E130 WeakPolarHBondContact CD-OE1 3.16Å; R67-E130 WeakPolarHBondContact CD-OE2 3.22Å; R67-E130 IonicContact NE-OE2 3.5Å; R67-R133 PolarHBondContact O-NH1 2.97Å; R67-R133 PolarHBondContact O-NH2 3.27Å; R67-E274 IonicContact CZ-OE1 3.42Å; R67-E274 IonicContact CZ-OE2 2.74Å; R67-E274 IonicContact NH1-OE1 2.66Å; R67-E274 PolarHBondContact NH1-OE1 3.06Å; R67-E274 IonicContact NH1-OE2 3.57Å; R67-E274 IonicContact NH2-OE1 3.52Å; R67-E274 IonicContact NH2-OE2 3.5Å; R67-E274 PolarHBondContact NH2-OE2 2.65Å; R67-Y278 PolarHBondContact NE-OH 2.82Å
68	C	98.6	Very high	98.1	Very high	16 Å²	16	34.1 Å²	34.1	11%	0.108	18%	0.179	C	C	.	.	S	Bend	trans	-75.1	152.2	171.2	-60.9	0	0	0	0	111	C44 L65 G70	C44-C68 HydrophobicContact CB-CB 3.69Å; C44-C68 WeakPolarHBondContact CB-SG 3.42Å; C44-C68 WeakPolarHBondContact SG-CB 3.25Å; C44-C68 CovalentContact SG-SG 2.02Å; C44-C68 PolarHBondContact SG-SG 3.45Å; L65-C68 WeakPolarHBondContact O-CB 3.25Å; L65-C68 PolarHBondContact O-N 3.46Å; C68-G70 VanDerWaalsContact C-N 3.33Å
69	N	98.5	Very high	98.1	Very high	61 Å²	61	33.6 Å²	33.6	33%	0.326	17%	0.174	S	C	.	.	S	Bend	trans	-73.3	-30.9	177.9	-65.3	81.4	0	0	0	111.8	A37 R41 V42 Y115 R133	A37-N69 PolarHBondContact O-ND2 3.39Å; R41-N69 WeakPolarHBondContact CA-OD1 3.05Å; R41-N69 HydrophobicContact CB-CB 4.42Å; V42-N69 PolarHBondContact N-OD1 3.05Å; V42-N69 WeakPolarHBondContact O-CB 3.29Å; V42-N69 PolarHBondContact O-N 2.97Å; N69-Y115 HydrophobicContact CB-CD1 3.89Å; N69-Y115 HydrophobicContact CB-CE1 3.59Å; N69-R133 PolarHBondContact OD1-NH2 3.08Å
70	G	98.5	Very high	98	Very high	11 Å²	11	41.6 Å²	41.6	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	160.3	172	0	0	0	0	0	109.4	F43 C44 C68 Y115	F43-G70 WeakPolarHBondContact CA-O 3.31Å; C44-G70 PolarHBondContact N-O 3.3Å; C68-G70 VanDerWaalsContact C-N 3.33Å; G70-Y115 WeakPolarHBondContact CA-OH 3.46Å
71	Y	98.7	Very high	97.9	Very high	87 Å²	87	50 Å²	50	34%	0.341	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	163.2	179.7	68.4	-94	0	0	0	113.7	C44 K61 L65 F73	C44-Y71 CarbonylContact O-C 3.59Å; C44-Y71 WeakPolarHBondContact O-CA 3.32Å; C44-Y71 VanDerWaalsContact O-CB 3.29Å; C44-Y71 WeakPolarHBondContact O-CB 3.43Å; K61-Y71 WeakPolarHBondContact CE-OH 3.44Å; K61-Y71 PolarHBondContact NZ-OH 3.13Å; K61-Y71 VanDerWaalsContact NZ-OH 3.14Å; L65-Y71 HydrophobicContact CD1-CG 4.37Å; L65-Y71 HydrophobicContact CD2-CD1 4.26Å; L65-Y71 HydrophobicContact CD2-CD2 3.58Å; L65-Y71 HydrophobicContact CD2-CE2 4.18Å; L65-Y71 HydrophobicContact CD2-CG 3.66Å; L65-Y71 HydrophobicContact CG-CD1 4.2Å; L65-Y71 HydrophobicContact CG-CD2 4.31Å; L65-Y71 HydrophobicContact CG-CG 3.86Å; Y71-F73 HydrophobicContact CD2-CD2 4.22Å; Y71-F73 HydrophobicContact CD2-CE2 4.07Å; Y71-F73 HydrophobicContact CE2-CD2 4.3Å; Y71-F73 HydrophobicContact CE2-CE2 4.04Å
72	M	98.3	Very high	97.9	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.064	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.7	161.6	73.5	-176.8	-156.7	0	0	110.4	F43 C44 W45 V46 A103 L106 I107	F43-M72 HydrophobicContact CE1-CB 4.33Å; F43-M72 HydrophobicContact CE1-CG 3.87Å; F43-M72 HydrophobicContact CE1-SD 4.12Å; F43-M72 HydrophobicContact CZ-CB 4.06Å; F43-M72 HydrophobicContact CZ-CG 4.09Å; F43-M72 HydrophobicContact CZ-SD 4.4Å; C44-M72 PolarHBondContact O-N 3.06Å; W45-M72 VanDerWaalsContact CA-O 3.31Å; W45-M72 WeakPolarHBondContact CA-O 3.42Å; W45-M72 HydrophobicContact CB-CE 3.95Å; W45-M72 HydrophobicContact CB-CG 3.81Å; W45-M72 HydrophobicContact CG-CE 4.4Å; V46-M72 PolarHBondContact N-O 3.31Å; M72-A103 HydrophobicContact CE-CB 3.57Å; M72-L106 HydrophobicContact SD-CD2 4.47Å; M72-I107 HydrophobicContact CE-CD1 3.62Å; M72-I107 HydrophobicContact CE-CG1 3.64Å; M72-I107 HydrophobicContact SD-CD1 4.21Å; M72-I107 HydrophobicContact SD-CG1 3.77Å
73	F	98.7	Very high	97.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.7	164.7	-68.2	-92.5	0	0	0	109	V46 T48 A57 V60 K61 L65 Y71 L82 G83 A84 V85	V46-F73 HydrophobicContact CB-CD1 3.56Å; V46-F73 HydrophobicContact CB-CE1 3.75Å; V46-F73 HydrophobicContact CB-CG 4.39Å; V46-F73 HydrophobicContact CG1-CD1 3.76Å; V46-F73 HydrophobicContact CG1-CE1 3.75Å; V46-F73 HydrophobicContact CG2-CD1 4.36Å; V46-F73 HydrophobicContact CG2-CE1 4.12Å; V46-F73 CarbonylContact O-C 3.59Å; V46-F73 WeakPolarHBondContact O-CA 3.37Å; T48-F73 HydrophobicContact CG2-CB 3.96Å; T48-F73 HydrophobicContact CG2-CD1 4.08Å; T48-F73 HydrophobicContact CG2-CG 4.48Å; A57-F73 HydrophobicContact CB-CD1 3.82Å; A57-F73 HydrophobicContact CB-CE1 3.63Å; A57-F73 HydrophobicContact CB-CZ 4.35Å; A57-F73 WeakPolarHBondContact O-CZ 3.46Å; V60-F73 HydrophobicContact CB-CE1 4.25Å; V60-F73 HydrophobicContact CB-CZ 4.41Å; V60-F73 HydrophobicContact CG1-CE1 4.07Å; V60-F73 HydrophobicContact CG1-CZ 4.18Å; K61-F73 HydrophobicContact CB-CE2 4.21Å; K61-F73 HydrophobicContact CB-CZ 3.97Å; K61-F73 HydrophobicContact CD-CE2 4.43Å; L65-F73 HydrophobicContact CD2-CD2 4.36Å; L65-F73 HydrophobicContact CD2-CE1 4.15Å; L65-F73 HydrophobicContact CD2-CE2 3.38Å; L65-F73 HydrophobicContact CD2-CZ 3.25Å; Y71-F73 HydrophobicContact CD2-CD2 4.22Å; Y71-F73 HydrophobicContact CD2-CE2 4.07Å; Y71-F73 HydrophobicContact CE2-CD2 4.3Å; Y71-F73 HydrophobicContact CE2-CE2 4.04Å; F73-L82 HydrophobicContact CD2-CD1 3.98Å; F73-L82 HydrophobicContact CD2-CD2 4.43Å; F73-L82 HydrophobicContact CD2-CG 3.7Å; F73-L82 HydrophobicContact CE1-CD1 4.42Å; F73-L82 HydrophobicContact CE2-CD1 3.64Å; F73-L82 HydrophobicContact CE2-CG 3.91Å; F73-L82 HydrophobicContact CG-CD1 4.49Å; F73-L82 HydrophobicContact CG-CD2 4.29Å; F73-L82 HydrophobicContact CG-CG 4.06Å; F73-L82 HydrophobicContact CZ-CD1 3.87Å; F73-L82 HydrophobicContact CZ-CG 4.45Å; F73-G83 PolarHBondContact N-O 3.33Å; F73-A84 HydrophobicContact CB-CB 3.81Å; F73-A84 CarbonylContact O-C 3.28Å; F73-A84 VanDerWaalsContact O-CA 3.25Å; F73-A84 WeakPolarHBondContact O-CA 3.32Å; F73-V85 PolarHBondContact O-N 3.13Å
74	G	98.3	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.3	174.6	0	0	0	0	0	110.3	V46 T48	V46-G74 PolarHBondContact O-N 2.73Å; T48-G74 PolarHBondContact N-O 2.9Å; T48-G74 VanDerWaalsContact O-O 3.07Å
75	S	97.8	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	177.5	-173.9	-156.4	0	0	0	0	113.6	T48 G49 H53 V85 N86 L87	T48-S75 PolarHBondContact O-OG 2.93Å; G49-S75 WeakPolarHBondContact CA-OG 3.34Å; H53-S75 WeakPolarHBondContact NE2-CB 3.3Å; H53-S75 PolarHBondContact NE2-OG 2.94Å; S75-V85 PolarHBondContact N-O 3.35Å; S75-N86 WeakPolarHBondContact O-CA 3.36Å; S75-L87 PolarHBondContact O-N 2.86Å
76	S	95.9	Very high	97.8	Very high	22 Å²	22	52.4 Å²	52.4	15%	0.154	26%	0.258	C	S	.	.	S	Bend	trans	-88.2	-10.2	170.8	59.4	0	0	0	0	113.7	N86 V89 E91	S76-N86 PolarHBondContact O-ND2 3.43Å; S76-N86 PolarHBondContact O-OD1 2.94Å; S76-V89 VanDerWaalsContact CB-O 3.32Å; S76-V89 WeakPolarHBondContact CB-O 3.49Å; S76-E91 WeakPolarHBondContact CB-OE1 3.39Å; S76-E91 PolarHBondContact N-OE1 3.47Å; S76-E91 WeakPolarHBondContact OG-CG 3.08Å; S76-E91 PolarHBondContact OG-OE1 2.78Å
77	V	97	Very high	97.8	Very high	54 Å²	54	47.6 Å²	47.6	33%	0.327	24%	0.237	S	C	.	.	S	Bend	trans	-136.5	139.6	-179.6	179	0	0	0	0	108.7	K50	K50-V77 HydrophobicContact CB-CB 4.39Å; K50-V77 HydrophobicContact CB-CG2 4.09Å; K50-V77 HydrophobicContact CD-CG2 3.99Å; K50-V77 HydrophobicContact CG-CB 4.4Å; K50-V77 HydrophobicContact CG-CG2 4.14Å
78	E	97.9	Very high	97.8	Very high	106 Å²	106	49.9 Å²	49.9	50%	0.495	27%	0.265	S	S	.	.			trans	-72.4	135.6	174.6	-173.8	-175.9	160.1	0	0	110.2	R80 A84 N86	E78-R80 HydrophobicContact CG-CG 4.37Å; E78-R80 VanDerWaalsContact OE1-CG 3.31Å; E78-R80 WeakPolarHBondContact OE1-CG 3.5Å; E78-R80 IonicContact OE1-CZ 3.66Å; E78-R80 IonicContact OE1-NE 2.83Å; E78-R80 PolarHBondContact OE1-NE 2.93Å; E78-R80 IonicContact OE1-NH2 3.58Å; E78-A84 WeakPolarHBondContact CA-O 3.45Å; E78-N86 HydrophobicContact CB-CB 4.34Å
79	D	97.9	Very high	97.6	Very high	45 Å²	45	49.2 Å²	49.2	24%	0.241	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-139.7	102.2	169.1	-179.1	-23.9	0	0	0	107.9	H53 Q81 L82 G83 A84	H53-D79 IonicContact ND1-OD2 3.93Å; D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 3.17Å; D79-Q81 PolarHBondContact OD1-N 2.85Å; D79-L82 HydrophobicContact CB-CB 3.97Å; D79-L82 PolarHBondContact O-N 3.15Å; D79-L82 PolarHBondContact OD1-N 2.94Å; D79-G83 PolarHBondContact O-N 3.26Å; D79-A84 HydrophobicContact CB-CB 3.95Å; D79-A84 PolarHBondContact N-O 3.41Å; D79-A84 PolarHBondContact O-N 3.17Å
80	R	96.9	Very high	97.4	Very high	212 Å²	212	49.6 Å²	49.6	80%	0.8	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-32	-176.9	-64.9	-175.9	-178.2	176.9	2.5	113	E78 G83	E78-R80 HydrophobicContact CG-CG 4.37Å; E78-R80 VanDerWaalsContact OE1-CG 3.31Å; E78-R80 WeakPolarHBondContact OE1-CG 3.5Å; E78-R80 IonicContact OE1-CZ 3.66Å; E78-R80 IonicContact OE1-NE 2.83Å; E78-R80 PolarHBondContact OE1-NE 2.93Å; E78-R80 IonicContact OE1-NH2 3.58Å; R80-G83 PolarHBondContact O-N 3.05Å
81	Q	96.6	Very high	97.1	Very high	176 Å²	176	53 Å²	53	82%	0.822	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-37.5	179.3	-67.1	-174.4	2.5	0	0	110.7	K61 D79	K61-Q81 PolarHBondContact NZ-O 3.44Å; D79-Q81 VanDerWaalsContact C-N 3.31Å; D79-Q81 PolarHBondContact O-N 3.17Å; D79-Q81 PolarHBondContact OD1-N 2.85Å
82	L	97.9	Very high	96.7	Very high	5 Å²	5	50 Å²	50	3%	0.026	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-36.3	173.9	-176	58.1	0	0	0	111.4	H53 A57 V58 K61 F73 D79 A84	H53-L82 HydrophobicContact CB-CD2 3.93Å; A57-L82 HydrophobicContact CB-CD1 4.02Å; A57-L82 HydrophobicContact CB-CD2 3.64Å; A57-L82 HydrophobicContact CB-CG 4.4Å; V58-L82 HydrophobicContact CG1-CD1 4.19Å; K61-L82 HydrophobicContact CB-CD1 4.37Å; K61-L82 HydrophobicContact CD-CD1 4.12Å; K61-L82 WeakPolarHBondContact CD-O 3.46Å; K61-L82 PolarHBondContact NZ-O 2.94Å; F73-L82 HydrophobicContact CD2-CD1 3.98Å; F73-L82 HydrophobicContact CD2-CD2 4.43Å; F73-L82 HydrophobicContact CD2-CG 3.7Å; F73-L82 HydrophobicContact CE1-CD1 4.42Å; F73-L82 HydrophobicContact CE2-CD1 3.64Å; F73-L82 HydrophobicContact CE2-CG 3.91Å; F73-L82 HydrophobicContact CG-CD1 4.49Å; F73-L82 HydrophobicContact CG-CD2 4.29Å; F73-L82 HydrophobicContact CG-CG 4.06Å; F73-L82 HydrophobicContact CZ-CD1 3.87Å; F73-L82 HydrophobicContact CZ-CG 4.45Å; D79-L82 HydrophobicContact CB-CB 3.97Å; D79-L82 PolarHBondContact O-N 3.15Å; D79-L82 PolarHBondContact OD1-N 2.94Å; L82-A84 HydrophobicContact CB-CB 4.46Å; L82-A84 HydrophobicContact CD2-CB 4.11Å; L82-A84 HydrophobicContact CG-CB 4.41Å
83	G	97.5	Very high	96.3	Very high	24 Å²	24	59.6 Å²	59.6	25%	0.247	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	29.9	-165.4	0	0	0	0	0	111.6	F73 D79 R80	F73-G83 PolarHBondContact N-O 3.33Å; D79-G83 PolarHBondContact O-N 3.26Å; R80-G83 PolarHBondContact O-N 3.05Å
84	A	98.2	Very high	96	Very high	3 Å²	3	64.7 Å²	64.7	3%	0.025	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.5	176.2	0	0	0	0	0	111.7	F73 E78 D79 L82	F73-A84 HydrophobicContact CB-CB 3.81Å; F73-A84 CarbonylContact O-C 3.28Å; F73-A84 VanDerWaalsContact O-CA 3.25Å; F73-A84 WeakPolarHBondContact O-CA 3.32Å; E78-A84 WeakPolarHBondContact CA-O 3.45Å; D79-A84 HydrophobicContact CB-CB 3.95Å; D79-A84 PolarHBondContact N-O 3.41Å; D79-A84 PolarHBondContact O-N 3.17Å; L82-A84 HydrophobicContact CB-CB 4.46Å; L82-A84 HydrophobicContact CD2-CB 4.11Å; L82-A84 HydrophobicContact CG-CB 4.41Å
85	V	98.2	Very high	95.9	Very high	53 Å²	53	67.1 Å²	67.1	32%	0.321	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.7	177.8	-179.3	0	0	0	0	108.6	F73 S75 L87 L106	F73-V85 PolarHBondContact O-N 3.13Å; S75-V85 PolarHBondContact N-O 3.35Å; V85-L87 PolarHBondContact O-N 3.25Å; V85-L106 HydrophobicContact CG1-CD2 3.78Å
86	N	98	Very high	95.8	Very high	83 Å²	83	69.4 Å²	69.4	44%	0.444	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	113.6	170.6	-175.2	-2.5	0	0	0	110.1	S75 S76 E78 G88	S75-N86 WeakPolarHBondContact O-CA 3.36Å; S76-N86 PolarHBondContact O-ND2 3.43Å; S76-N86 PolarHBondContact O-OD1 2.94Å; E78-N86 HydrophobicContact CB-CB 4.34Å; N86-G88 VanDerWaalsContact C-N 3.26Å; N86-G88 PolarHBondContact O-N 3.48Å; N86-G88 PolarHBondContact OD1-N 3.36Å
87	L	97.7	Very high	95.9	Very high	15 Å²	15	68.5 Å²	68.5	8%	0.079	35%	0.35	C	S	.	.			trans	-81.5	-2.7	178.8	-62.6	172.3	0	0	0	113.2	S75 V85 V89 K99 K102 A103	S75-L87 PolarHBondContact O-N 2.86Å; V85-L87 PolarHBondContact O-N 3.25Å; L87-V89 HydrophobicContact CB-CG2 4.43Å; L87-V89 PolarHBondContact O-N 3.23Å; L87-K99 HydrophobicContact CD1-CB 3.94Å; L87-K99 HydrophobicContact CD1-CG 4.15Å; L87-K102 HydrophobicContact CB-CB 4.26Å; L87-K102 HydrophobicContact CD2-CB 4.32Å; L87-A103 HydrophobicContact CD1-CB 4.16Å; L87-A103 HydrophobicContact CD2-CB 4.15Å
88	G	96.3	Very high	95.9	Very high	61 Å²	61	71.2 Å²	71.2	63%	0.629	36%	0.355	S	S	*	.	S	Bend	trans	67.6	25.3	-176.1	0	0	0	0	0	113	N86	N86-G88 VanDerWaalsContact C-N 3.26Å; N86-G88 PolarHBondContact O-N 3.48Å; N86-G88 PolarHBondContact OD1-N 3.36Å
89	V	95	Very high	95.9	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	33%	0.331	C	S	.	.			trans	-122	130.9	-177.7	-178.6	0	0	0	0	109.1	S76 L87 F95 R98 K99 K102	S76-V89 VanDerWaalsContact CB-O 3.32Å; S76-V89 WeakPolarHBondContact CB-O 3.49Å; L87-V89 HydrophobicContact CB-CG2 4.43Å; L87-V89 PolarHBondContact O-N 3.23Å; V89-F95 HydrophobicContact CG1-CB 3.66Å; V89-F95 HydrophobicContact CG1-CG 4.38Å; V89-R98 HydrophobicContact CG1-CB 3.97Å; V89-R98 HydrophobicContact CG2-CB 4.27Å; V89-K99 HydrophobicContact CB-CG 3.76Å; V89-K99 HydrophobicContact CG1-CG 3.69Å; V89-K99 HydrophobicContact CG2-CG 4.41Å; V89-K102 HydrophobicContact CG2-CG 4.01Å
90	P	93.7	Very high	95.9	Very high	68 Å²	68	64 Å²	64	44%	0.442	32%	0.32	S	S	.	.			trans	-58.8	163.6	177.9	-24.3	34.1	0	0	0	113.9	F95 K99	P90-F95 HydrophobicContact CB-CD2 3.9Å; P90-F95 HydrophobicContact CB-CE2 3.82Å; P90-F95 HydrophobicContact CB-CZ 4.42Å; P90-F95 HydrophobicContact CG-CE2 4.4Å; P90-K99 WeakPolarHBondContact O-CE 3.31Å
91	E	92.8	Very high	96	Very high	82 Å²	82	54.8 Å²	54.8	38%	0.383	29%	0.286	S	S	.	.	S	Bend	trans	-73.2	150.7	170.2	-68.7	-56.7	142.2	0	0	111.9	G49 S76 F95 K99	G49-E91 VanDerWaalsContact CA-CD 3.5Å; G49-E91 WeakPolarHBondContact CA-OE1 3.49Å; G49-E91 WeakPolarHBondContact CA-OE2 3.5Å; S76-E91 WeakPolarHBondContact CB-OE1 3.39Å; S76-E91 PolarHBondContact N-OE1 3.47Å; S76-E91 WeakPolarHBondContact OG-CG 3.08Å; S76-E91 PolarHBondContact OG-OE1 2.78Å; E91-F95 VanDerWaalsContact O-CD2 3.29Å; E91-F95 WeakPolarHBondContact O-CD2 3.48Å; E91-K99 IonicContact OE1-NZ 3.7Å; E91-K99 PolarHBondContact OE1-NZ 3.4Å; E91-K99 IonicContact OE2-NZ 3.88Å; E91-K99 PolarHBondContact OE2-NZ 3.39Å
92	G	91	Very high	96.1	Very high	26 Å²	26	52.1 Å²	52.1	27%	0.268	27%	0.272	S	S	.	.	S	Bend	trans	132.1	146.5	178.3	0	0	0	0	0	112.9	Q94 F95	G92-Q94 VanDerWaalsContact C-OE1 3.29Å; G92-Q94 PolarHBondContact O-N 3.05Å; G92-F95 PolarHBondContact O-N 2.92Å
93	R	89.9	Confident	96.1	Very high	214 Å²	214	51.9 Å²	51.9	81%	0.808	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-60.5	-32.9	-179.2	-74.8	-175.8	173.3	177.2	-2.5	112.7	F95 L96	R93-F95 PolarHBondContact O-N 3.29Å; R93-L96 HydrophobicContact CB-CD1 4.43Å; R93-L96 HydrophobicContact CG-CD1 4.42Å; R93-L96 VanDerWaalsContact O-CG 3.3Å; R93-L96 WeakPolarHBondContact O-CG 3.14Å; R93-L96 PolarHBondContact O-N 3.32Å
94	Q	92.4	Very high	96.1	Very high	107 Å²	107	50.7 Å²	50.7	50%	0.5	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16.3	177.2	71.2	-81.9	23.5	0	0	113.8	G92	G92-Q94 VanDerWaalsContact C-OE1 3.29Å; G92-Q94 PolarHBondContact O-N 3.05Å
95	F	95.2	Very high	96.2	Very high	50 Å²	50	52.6 Å²	52.6	22%	0.219	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-104.9	0.7	-178.9	-57.6	-60.8	0	0	0	113.9	V89 P90 E91 G92 R93 W97 R98 K99	V89-F95 HydrophobicContact CG1-CB 3.66Å; V89-F95 HydrophobicContact CG1-CG 4.38Å; P90-F95 HydrophobicContact CB-CD2 3.9Å; P90-F95 HydrophobicContact CB-CE2 3.82Å; P90-F95 HydrophobicContact CB-CZ 4.42Å; P90-F95 HydrophobicContact CG-CE2 4.4Å; E91-F95 VanDerWaalsContact O-CD2 3.29Å; E91-F95 WeakPolarHBondContact O-CD2 3.48Å; G92-F95 PolarHBondContact O-N 2.92Å; R93-F95 PolarHBondContact O-N 3.29Å; F95-W97 VanDerWaalsContact C-N 3.29Å; F95-W97 PolarHBondContact O-N 3.3Å; F95-R98 PolarHBondContact O-N 3.12Å; F95-R98 VanDerWaalsContact O-N 3.13Å; F95-K99 PolarHBondContact O-N 2.63Å
96	L	96.5	Very high	96.2	Very high	49 Å²	49	52.8 Å²	52.8	26%	0.257	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-40.1	-177.5	-59.6	178.4	0	0	0	111.6	L47 R93 R98 K99 T100 E193	L47-L96 HydrophobicContact CD1-CD2 4.33Å; L47-L96 HydrophobicContact CD2-CB 4.34Å; L47-L96 HydrophobicContact CD2-CD2 3.89Å; L47-L96 HydrophobicContact CD2-CG 4.44Å; L47-L96 HydrophobicContact CG-CD2 4.32Å; R93-L96 HydrophobicContact CB-CD1 4.43Å; R93-L96 HydrophobicContact CG-CD1 4.42Å; R93-L96 VanDerWaalsContact O-CG 3.3Å; R93-L96 WeakPolarHBondContact O-CG 3.14Å; R93-L96 PolarHBondContact O-N 3.32Å; L96-R98 VanDerWaalsContact C-N 3.35Å; L96-R98 PolarHBondContact O-N 2.93Å; L96-K99 WeakPolarHBondContact O-CB 3.38Å; L96-K99 PolarHBondContact O-N 2.8Å; L96-K99 VanDerWaalsContact O-N 3.15Å; L96-T100 PolarHBondContact O-N 3.42Å; L96-T100 PolarHBondContact O-OG1 3.3Å; L96-E193 HydrophobicContact CB-CB 3.81Å; L96-E193 HydrophobicContact CB-CG 4.12Å
97	W	97.8	Very high	96.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-57	-46.8	174.3	172.8	-126.7	0	0	0	112.7	F95 K99 T100 M101 F181 L186 L196 L197 A200	F95-W97 VanDerWaalsContact C-N 3.29Å; F95-W97 PolarHBondContact O-N 3.3Å; W97-K99 VanDerWaalsContact C-N 3.34Å; W97-K99 PolarHBondContact O-N 2.9Å; W97-T100 HydrophobicContact CE3-CG2 4.37Å; W97-T100 HydrophobicContact CZ3-CG2 4.19Å; W97-T100 WeakPolarHBondContact O-CB 3.3Å; W97-T100 PolarHBondContact O-N 3.28Å; W97-T100 VanDerWaalsContact O-N 3.17Å; W97-M101 HydrophobicContact CD2-CG 4.07Å; W97-M101 HydrophobicContact CD2-SD 4.35Å; W97-M101 VanDerWaalsContact CE2-SD 3.52Å; W97-M101 HydrophobicContact CE3-CG 4.34Å; W97-M101 HydrophobicContact CH2-CG 3.85Å; W97-M101 HydrophobicContact CH2-SD 4.49Å; W97-M101 HydrophobicContact CZ2-CE 4.46Å; W97-M101 HydrophobicContact CZ2-CG 3.54Å; W97-M101 HydrophobicContact CZ2-SD 3.61Å; W97-M101 HydrophobicContact CZ3-CG 4.22Å; W97-M101 PolarHBondContact NE1-SD 3.4Å; W97-M101 PolarHBondContact O-N 2.94Å; W97-F181 AromaticContact CH2-CE1 3.66Å; W97-F181 HydrophobicContact CH2-CE1 3.66Å; W97-F181 HydrophobicContact CH2-CZ 4.1Å; W97-F181 HydrophobicContact CZ2-CE1 4.21Å; W97-L186 HydrophobicContact CZ2-CB 4Å; W97-L186 HydrophobicContact CZ2-CD1 4.45Å; W97-L186 PolarHBondContact NE1-O 2.93Å; W97-L196 HydrophobicContact CB-CD1 3.81Å; W97-L196 HydrophobicContact CD2-CB 3.66Å; W97-L196 HydrophobicContact CD2-CD1 4.05Å; W97-L196 HydrophobicContact CE3-CB 3.77Å; W97-L196 HydrophobicContact CG-CB 4.05Å; W97-L196 HydrophobicContact CG-CD1 3.52Å; W97-L196 HydrophobicContact CG-CG 4.44Å; W97-L196 HydrophobicContact CH2-CB 4.49Å; W97-L196 HydrophobicContact CZ2-CB 4.4Å; W97-L196 HydrophobicContact CZ3-CB 4.21Å; W97-L197 HydrophobicContact CZ3-CB 3.9Å; W97-L197 HydrophobicContact CZ3-CD1 4.25Å; W97-A200 HydrophobicContact CH2-CB 3.77Å; W97-A200 HydrophobicContact CZ2-CB 4.39Å
98	R	97.2	Very high	96.3	Very high	111 Å²	111	50.5 Å²	50.5	42%	0.419	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-38.7	176.5	-69	179.5	62.5	-165.5	-0.8	111.9	V89 F95 L96 K102	V89-R98 HydrophobicContact CG1-CB 3.97Å; V89-R98 HydrophobicContact CG2-CB 4.27Å; F95-R98 PolarHBondContact O-N 3.12Å; F95-R98 VanDerWaalsContact O-N 3.13Å; L96-R98 VanDerWaalsContact C-N 3.35Å; L96-R98 PolarHBondContact O-N 2.93Å; R98-K102 WeakPolarHBondContact O-CB 3.5Å; R98-K102 WeakPolarHBondContact O-CG 3.29Å; R98-K102 PolarHBondContact O-N 2.91Å; R98-K102 VanDerWaalsContact O-N 3.08Å
99	K	97.5	Very high	96.4	Very high	1 Å²	1	56 Å²	56	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-46.4	172	-75.6	-175.1	174.4	-174.6	0	110.6	L47 T48 L87 V89 P90 E91 F95 L96 W97 K102 A103	L47-K99 HydrophobicContact CD1-CB 3.89Å; L47-K99 HydrophobicContact CD1-CD 3.66Å; L47-K99 HydrophobicContact CD1-CG 4.41Å; T48-K99 PolarHBondContact O-NZ 3.08Å; T48-K99 VanDerWaalsContact O-NZ 3.15Å; L87-K99 HydrophobicContact CD1-CB 3.94Å; L87-K99 HydrophobicContact CD1-CG 4.15Å; V89-K99 HydrophobicContact CB-CG 3.76Å; V89-K99 HydrophobicContact CG1-CG 3.69Å; V89-K99 HydrophobicContact CG2-CG 4.41Å; P90-K99 WeakPolarHBondContact O-CE 3.31Å; E91-K99 IonicContact OE1-NZ 3.7Å; E91-K99 PolarHBondContact OE1-NZ 3.4Å; E91-K99 IonicContact OE2-NZ 3.88Å; E91-K99 PolarHBondContact OE2-NZ 3.39Å; F95-K99 PolarHBondContact O-N 2.63Å; L96-K99 WeakPolarHBondContact O-CB 3.38Å; L96-K99 PolarHBondContact O-N 2.8Å; L96-K99 VanDerWaalsContact O-N 3.15Å; W97-K99 VanDerWaalsContact C-N 3.34Å; W97-K99 PolarHBondContact O-N 2.9Å; K99-K102 PolarHBondContact O-N 3.1Å; K99-A103 VanDerWaalsContact O-CB 3.25Å; K99-A103 WeakPolarHBondContact O-CB 3.19Å; K99-A103 PolarHBondContact O-N 2.79Å
100	T	98.4	Very high	96.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-49.8	177.2	-69.8	0	0	0	0	112.3	W45 L96 W97 K102 A103 F104 E193	W45-T100 HydrophobicContact CZ2-CG2 4.4Å; L96-T100 PolarHBondContact O-N 3.42Å; L96-T100 PolarHBondContact O-OG1 3.3Å; W97-T100 HydrophobicContact CE3-CG2 4.37Å; W97-T100 HydrophobicContact CZ3-CG2 4.19Å; W97-T100 WeakPolarHBondContact O-CB 3.3Å; W97-T100 PolarHBondContact O-N 3.28Å; W97-T100 VanDerWaalsContact O-N 3.17Å; T100-K102 VanDerWaalsContact C-N 3.31Å; T100-K102 PolarHBondContact O-N 2.8Å; T100-A103 PolarHBondContact O-N 2.91Å; T100-F104 HydrophobicContact CG2-CD2 3.55Å; T100-F104 HydrophobicContact CG2-CE2 3.72Å; T100-F104 PolarHBondContact O-N 3.13Å; T100-E193 WeakPolarHBondContact CB-OE1 3.32Å; T100-E193 HydrophobicContact CG2-CG 4.47Å; T100-E193 VanDerWaalsContact CG2-OE1 3.23Å; T100-E193 WeakPolarHBondContact CG2-OE1 3.47Å; T100-E193 WeakPolarHBondContact OG1-CG 3.45Å; T100-E193 PolarHBondContact OG1-OE1 2.94Å
101	M	98.2	Very high	96.7	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-45.6	177.4	-69.5	-177.7	77.7	0	0	111.6	W97 S105 F181	W97-M101 HydrophobicContact CD2-CG 4.07Å; W97-M101 HydrophobicContact CD2-SD 4.35Å; W97-M101 VanDerWaalsContact CE2-SD 3.52Å; W97-M101 HydrophobicContact CE3-CG 4.34Å; W97-M101 HydrophobicContact CH2-CG 3.85Å; W97-M101 HydrophobicContact CH2-SD 4.49Å; W97-M101 HydrophobicContact CZ2-CE 4.46Å; W97-M101 HydrophobicContact CZ2-CG 3.54Å; W97-M101 HydrophobicContact CZ2-SD 3.61Å; W97-M101 HydrophobicContact CZ3-CG 4.22Å; W97-M101 PolarHBondContact NE1-SD 3.4Å; W97-M101 PolarHBondContact O-N 2.94Å; M101-S105 WeakPolarHBondContact O-CB 3.33Å; M101-S105 PolarHBondContact O-N 2.91Å; M101-S105 PolarHBondContact O-OG 3.02Å; M101-F181 HydrophobicContact CE-CB 4.21Å; M101-F181 HydrophobicContact CE-CD1 3.84Å; M101-F181 HydrophobicContact CE-CG 4.18Å; M101-F181 HydrophobicContact CG-CD1 4.24Å; M101-F181 HydrophobicContact CG-CE1 4.17Å; M101-F181 HydrophobicContact CG-CZ 4.44Å
102	K	98.1	Very high	97	Very high	119 Å²	119	58.1 Å²	58.1	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-43.1	179.1	-71.1	-65	-173.7	-177.5	0	112.3	L87 V89 R98 K99 T100 S105 L106	L87-K102 HydrophobicContact CB-CB 4.26Å; L87-K102 HydrophobicContact CD2-CB 4.32Å; V89-K102 HydrophobicContact CG2-CG 4.01Å; R98-K102 WeakPolarHBondContact O-CB 3.5Å; R98-K102 WeakPolarHBondContact O-CG 3.29Å; R98-K102 PolarHBondContact O-N 2.91Å; R98-K102 VanDerWaalsContact O-N 3.08Å; K99-K102 PolarHBondContact O-N 3.1Å; T100-K102 VanDerWaalsContact C-N 3.31Å; T100-K102 PolarHBondContact O-N 2.8Å; K102-S105 PolarHBondContact O-N 3.34Å; K102-L106 WeakPolarHBondContact O-CB 3.5Å; K102-L106 PolarHBondContact O-N 3.36Å
103	A	98.6	Very high	97.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-52.8	178.4	0	0	0	0	0	111	W45 M72 L87 K99 T100 S105 L106 I107	W45-A103 HydrophobicContact CD2-CB 4.06Å; W45-A103 HydrophobicContact CE3-CB 3.94Å; W45-A103 HydrophobicContact CH2-CB 4.1Å; W45-A103 HydrophobicContact CZ2-CB 4.19Å; W45-A103 HydrophobicContact CZ3-CB 3.95Å; M72-A103 HydrophobicContact CE-CB 3.57Å; L87-A103 HydrophobicContact CD1-CB 4.16Å; L87-A103 HydrophobicContact CD2-CB 4.15Å; K99-A103 VanDerWaalsContact O-CB 3.25Å; K99-A103 WeakPolarHBondContact O-CB 3.19Å; K99-A103 PolarHBondContact O-N 2.79Å; T100-A103 PolarHBondContact O-N 2.91Å; A103-S105 PolarHBondContact O-N 3.07Å; A103-L106 PolarHBondContact O-N 3.24Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.5Å; A103-I107 PolarHBondContact O-N 3.41Å
104	F	98.8	Very high	97.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-36.9	178.8	-81.3	-54	0	0	0	113	W45 T100 L106 I107 Y108 F118 K120 Y166 L168 L173 F181 L197	W45-F104 AromaticContact CD1-CE1 3.79Å; W45-F104 AromaticContact CD1-CZ 3.9Å; W45-F104 HydrophobicContact CZ2-CE2 4.36Å; W45-F104 AromaticContact NE1-CE1 3.49Å; W45-F104 AromaticContact NE1-CE2 3.6Å; W45-F104 AromaticContact NE1-CZ 3.17Å; T100-F104 HydrophobicContact CG2-CD2 3.55Å; T100-F104 HydrophobicContact CG2-CE2 3.72Å; T100-F104 PolarHBondContact O-N 3.13Å; F104-L106 VanDerWaalsContact C-N 3.32Å; F104-L106 PolarHBondContact O-N 3Å; F104-I107 HydrophobicContact CD1-CD1 4.18Å; F104-I107 PolarHBondContact O-N 3.31Å; F104-Y108 WeakPolarHBondContact O-CB 3.23Å; F104-Y108 PolarHBondContact O-N 3.47Å; F104-F118 HydrophobicContact CE1-CB 4.24Å; F104-K120 HydrophobicContact CZ-CB 4.3Å; F104-Y166 AromaticContact CE2-CE2 3.83Å; F104-Y166 HydrophobicContact CE2-CE2 3.83Å; F104-Y166 AromaticContact CZ-CE2 3.77Å; F104-Y166 HydrophobicContact CZ-CE2 3.77Å; F104-L168 HydrophobicContact CE1-CD1 4.04Å; F104-L168 HydrophobicContact CE2-CD1 4.22Å; F104-L168 HydrophobicContact CZ-CD1 3.87Å; F104-L168 HydrophobicContact CZ-CG 4.47Å; F104-L173 HydrophobicContact CB-CD1 3.78Å; F104-L173 HydrophobicContact CD1-CD1 3.5Å; F104-L173 HydrophobicContact CE1-CD1 4.35Å; F104-L173 HydrophobicContact CG-CD1 3.88Å; F104-F181 HydrophobicContact CB-CE2 3.9Å; F104-L197 HydrophobicContact CE2-CD2 4.37Å
105	S	98.6	Very high	98.1	Very high	42 Å²	42	52.2 Å²	52.2	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-63.4	-38.2	174.1	-60.5	0	0	0	0	112.2	M101 K102 A103 K109	M101-S105 WeakPolarHBondContact O-CB 3.33Å; M101-S105 PolarHBondContact O-N 2.91Å; M101-S105 PolarHBondContact O-OG 3.02Å; K102-S105 PolarHBondContact O-N 3.34Å; A103-S105 PolarHBondContact O-N 3.07Å; S105-K109 WeakPolarHBondContact O-CB 3.39Å; S105-K109 PolarHBondContact O-N 2.82Å; S105-K109 VanDerWaalsContact O-N 3.1Å
106	L	98.6	Very high	98.2	Very high	58 Å²	58	50.6 Å²	50.6	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-68.2	-46.4	175.7	178.6	63.1	0	0	0	111.5	M72 V85 K102 A103 F104 Y108 K109 T110	M72-L106 HydrophobicContact SD-CD2 4.47Å; V85-L106 HydrophobicContact CG1-CD2 3.78Å; K102-L106 WeakPolarHBondContact O-CB 3.5Å; K102-L106 PolarHBondContact O-N 3.36Å; A103-L106 PolarHBondContact O-N 3.24Å; F104-L106 VanDerWaalsContact C-N 3.32Å; F104-L106 PolarHBondContact O-N 3Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 PolarHBondContact O-N 3.26Å; L106-K109 PolarHBondContact O-N 3Å; L106-T110 HydrophobicContact CD1-CG2 3.86Å; L106-T110 WeakPolarHBondContact O-CB 3.4Å; L106-T110 PolarHBondContact O-N 2.93Å; L106-T110 PolarHBondContact O-OG1 3.49Å
107	I	98.7	Very high	98.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-47.5	175.9	-69.6	167	0	0	0	110.1	F43 W45 M72 A103 F104 K109 T110 R111 L112 F118 L173	F43-I107 HydrophobicContact CD1-CD1 4.07Å; F43-I107 HydrophobicContact CD1-CG1 4.16Å; F43-I107 HydrophobicContact CD1-CG2 4.26Å; F43-I107 HydrophobicContact CE1-CD1 3.95Å; F43-I107 HydrophobicContact CE1-CG1 3.78Å; W45-I107 HydrophobicContact CB-CD1 3.76Å; W45-I107 HydrophobicContact CG-CD1 3.87Å; M72-I107 HydrophobicContact CE-CD1 3.62Å; M72-I107 HydrophobicContact CE-CG1 3.64Å; M72-I107 HydrophobicContact SD-CD1 4.21Å; M72-I107 HydrophobicContact SD-CG1 3.77Å; A103-I107 VanDerWaalsContact O-CG1 3.25Å; A103-I107 WeakPolarHBondContact O-CG1 3.5Å; A103-I107 PolarHBondContact O-N 3.41Å; F104-I107 HydrophobicContact CD1-CD1 4.18Å; F104-I107 PolarHBondContact O-N 3.31Å; I107-K109 VanDerWaalsContact C-N 3.28Å; I107-K109 PolarHBondContact O-N 3.04Å; I107-T110 PolarHBondContact O-N 2.83Å; I107-R111 HydrophobicContact CG2-CB 4.26Å; I107-R111 CarbonylContact O-C 3.53Å; I107-R111 WeakPolarHBondContact O-CA 3.41Å; I107-R111 PolarHBondContact O-N 2.87Å; I107-L112 PolarHBondContact O-N 3.14Å; I107-L112 VanDerWaalsContact O-N 3.15Å; I107-F118 HydrophobicContact CG2-CD1 3.25Å; I107-F118 HydrophobicContact CG2-CE1 3.32Å; I107-F118 HydrophobicContact CG2-CG 4.27Å; I107-F118 HydrophobicContact CG2-CZ 4.39Å; I107-L173 HydrophobicContact CG2-CD2 3.9Å
108	Y	98.8	Very high	98.4	Very high	48 Å²	48	48.5 Å²	48.5	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-54.3	-45.8	176.1	173	-90.9	0	0	0	111.6	F104 L106 T110 L112 I174 V177 E178	F104-Y108 WeakPolarHBondContact O-CB 3.23Å; F104-Y108 PolarHBondContact O-N 3.47Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 PolarHBondContact O-N 3.26Å; Y108-T110 PolarHBondContact O-N 2.93Å; Y108-L112 HydrophobicContact CD2-CD1 4.2Å; Y108-L112 HydrophobicContact CD2-CD2 3.8Å; Y108-L112 HydrophobicContact CD2-CG 4.48Å; Y108-L112 HydrophobicContact CE2-CD2 3.63Å; Y108-L112 WeakPolarHBondContact O-CB 3.15Å; Y108-I174 HydrophobicContact CE2-CB 4.38Å; Y108-I174 HydrophobicContact CE2-CG1 4.04Å; Y108-V177 HydrophobicContact CD1-CG1 3.67Å; Y108-V177 HydrophobicContact CD2-CB 3.96Å; Y108-V177 HydrophobicContact CD2-CG1 4.02Å; Y108-V177 HydrophobicContact CD2-CG2 4.14Å; Y108-V177 HydrophobicContact CE1-CG1 4.06Å; Y108-V177 HydrophobicContact CE2-CB 4.39Å; Y108-V177 HydrophobicContact CE2-CG1 4.38Å; Y108-V177 HydrophobicContact CG-CB 4.04Å; Y108-V177 HydrophobicContact CG-CG1 3.67Å; Y108-V177 HydrophobicContact CG-CG2 4.06Å; Y108-E178 HydrophobicContact CE2-CG 4.4Å; Y108-E178 PolarHBondContact OH-OE1 3.37Å
109	K	98.5	Very high	98.5	Very high	176 Å²	176	43.3 Å²	43.3	77%	0.765	21%	0.208	S	C	*	.	H	α-helix	trans	-69.6	-32.9	-179.8	-176.8	176	178.2	-179.9	0	113.6	S105 L106 I107	S105-K109 WeakPolarHBondContact O-CB 3.39Å; S105-K109 PolarHBondContact O-N 2.82Å; S105-K109 VanDerWaalsContact O-N 3.1Å; L106-K109 PolarHBondContact O-N 3Å; I107-K109 VanDerWaalsContact C-N 3.28Å; I107-K109 PolarHBondContact O-N 3.04Å
110	T	98.3	Very high	98.5	Very high	70 Å²	70	43.3 Å²	43.3	43%	0.429	21%	0.209	S	C	.	.	H	α-helix	trans	-116.9	-20.7	-163.3	58.4	0	0	0	0	115.2	L106 I107 Y108	L106-T110 HydrophobicContact CD1-CG2 3.86Å; L106-T110 WeakPolarHBondContact O-CB 3.4Å; L106-T110 PolarHBondContact O-N 2.93Å; L106-T110 PolarHBondContact O-OG1 3.49Å; I107-T110 PolarHBondContact O-N 2.83Å; Y108-T110 PolarHBondContact O-N 2.93Å
111	R	98.1	Very high	98.6	Very high	111 Å²	111	43.4 Å²	43.4	42%	0.419	21%	0.209	S	C	.	.	H	α-helix	trans	-135.2	-5.1	-170.1	-59.4	-60	-180	-174	2.7	113.9	F43 I107 N113 D114 Y115	F43-R111 HydrophobicContact CD2-CG 4.4Å; F43-R111 HydrophobicContact CE2-CB 4.5Å; F43-R111 HydrophobicContact CE2-CG 3.91Å; F43-R111 HydrophobicContact CZ-CG 4.02Å; I107-R111 HydrophobicContact CG2-CB 4.26Å; I107-R111 CarbonylContact O-C 3.53Å; I107-R111 WeakPolarHBondContact O-CA 3.41Å; I107-R111 PolarHBondContact O-N 2.87Å; R111-N113 VanDerWaalsContact C-N 3.25Å; R111-N113 PolarHBondContact O-N 2.85Å; R111-N113 VanDerWaalsContact O-N 3.16Å; R111-D114 IonicContact NH1-OD2 3.91Å; R111-D114 PolarHBondContact O-N 2.78Å; R111-D114 VanDerWaalsContact O-N 3.1Å; R111-Y115 HydrophobicContact CB-CD2 4.09Å; R111-Y115 HydrophobicContact CB-CE2 4.09Å; R111-Y115 HydrophobicContact CG-CE2 4.47Å; R111-Y115 WeakPolarHBondContact O-CD2 3.5Å
112	L	98.4	Very high	98.6	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-42.4	-172.9	-179.2	70.4	0	0	0	113.4	I107 Y108 F118 R170 L173 I174	I107-L112 PolarHBondContact O-N 3.14Å; I107-L112 VanDerWaalsContact O-N 3.15Å; Y108-L112 HydrophobicContact CD2-CD1 4.2Å; Y108-L112 HydrophobicContact CD2-CD2 3.8Å; Y108-L112 HydrophobicContact CD2-CG 4.48Å; Y108-L112 HydrophobicContact CE2-CD2 3.63Å; Y108-L112 WeakPolarHBondContact O-CB 3.15Å; L112-F118 HydrophobicContact CD1-CE2 4.19Å; L112-F118 HydrophobicContact CD1-CZ 4.22Å; L112-R170 HydrophobicContact CD1-CG 3.68Å; L112-R170 HydrophobicContact CG-CG 4.2Å; L112-R170 PolarHBondContact O-NH1 3.45Å; L112-L173 HydrophobicContact CD1-CD2 4.02Å; L112-L173 HydrophobicContact CD1-CG 4.37Å; L112-I174 HydrophobicContact CD1-CD1 4.4Å; L112-I174 HydrophobicContact CD1-CG1 3.87Å; L112-I174 HydrophobicContact CD2-CD1 4.13Å; L112-I174 HydrophobicContact CD2-CG1 3.75Å; L112-I174 HydrophobicContact CG-CG1 4.36Å
113	N	98.2	Very high	98.6	Very high	122 Å²	122	38.6 Å²	38.6	65%	0.652	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.8	-174.3	-68.9	-32	0	0	0	113.7	R111 R170	R111-N113 VanDerWaalsContact C-N 3.25Å; R111-N113 PolarHBondContact O-N 2.85Å; R111-N113 VanDerWaalsContact O-N 3.16Å; N113-R170 PolarHBondContact O-NH1 2.82Å; N113-R170 VanDerWaalsContact O-NH1 3.13Å
114	D	98.3	Very high	98.6	Very high	70 Å²	70	39.6 Å²	39.6	37%	0.374	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.2	-174.6	-60.5	-17.2	0	0	0	112.8	R41 R111	R41-D114 VanDerWaalsContact CZ-O 3.27Å; R41-D114 PolarHBondContact NH1-O 3Å; R111-D114 IonicContact NH1-OD2 3.91Å; R111-D114 PolarHBondContact O-N 2.78Å; R111-D114 VanDerWaalsContact O-N 3.1Å
115	Y	98.8	Very high	98.6	Very high	31 Å²	31	39.6 Å²	39.6	12%	0.122	20%	0.195	C	C	.	.			trans	-138.1	154.2	-171.5	-54.1	-87.8	0	0	0	112.9	R41 F43 N69 G70 R111 R170	R41-Y115 HydrophobicContact CB-CD1 4.07Å; F43-Y115 HydrophobicContact CB-CD1 3.96Å; F43-Y115 HydrophobicContact CB-CD2 3.74Å; F43-Y115 HydrophobicContact CB-CE1 4.42Å; F43-Y115 HydrophobicContact CB-CE2 4.26Å; F43-Y115 HydrophobicContact CB-CG 3.61Å; F43-Y115 HydrophobicContact CD2-CD1 4.43Å; F43-Y115 AromaticContact CD2-CD2 3.74Å; F43-Y115 HydrophobicContact CD2-CD2 3.74Å; F43-Y115 HydrophobicContact CD2-CE1 4.09Å; F43-Y115 AromaticContact CD2-CE2 3.38Å; F43-Y115 HydrophobicContact CD2-CE2 3.38Å; F43-Y115 HydrophobicContact CD2-CG 4.29Å; F43-Y115 AromaticContact CD2-CZ 3.59Å; F43-Y115 HydrophobicContact CE2-CE2 4.09Å; F43-Y115 HydrophobicContact CG-CD2 4.06Å; F43-Y115 HydrophobicContact CG-CE2 4.17Å; F43-Y115 HydrophobicContact CG-CG 4.39Å; N69-Y115 HydrophobicContact CB-CD1 3.89Å; N69-Y115 HydrophobicContact CB-CE1 3.59Å; G70-Y115 WeakPolarHBondContact CA-OH 3.46Å; R111-Y115 HydrophobicContact CB-CD2 4.09Å; R111-Y115 HydrophobicContact CB-CE2 4.09Å; R111-Y115 HydrophobicContact CG-CE2 4.47Å; R111-Y115 WeakPolarHBondContact O-CD2 3.5Å; Y115-R170 PolarHBondContact O-NE 2.88Å; Y115-R170 VanDerWaalsContact O-NE 3.13Å; Y115-R170 PolarHBondContact O-NH2 2.85Å
116	D	98.7	Very high	98.6	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.091	18%	0.181	C	C	.	.	S	Bend	trans	-95.1	-27.6	-175.3	-50.8	-49.7	0	0	0	111.5	R41 S141 R170	R41-D116 VanDerWaalsContact CB-OD2 3.29Å; R41-D116 WeakPolarHBondContact CB-OD2 3.28Å; R41-D116 WeakPolarHBondContact CG-OD2 3.47Å; R41-D116 IonicContact CZ-OD1 2.93Å; R41-D116 IonicContact CZ-OD2 3.05Å; R41-D116 PolarHBondContact N-OD2 2.88Å; R41-D116 VanDerWaalsContact N-OD2 3.1Å; R41-D116 IonicContact NE-OD1 3.7Å; R41-D116 IonicContact NE-OD2 3.97Å; R41-D116 PolarHBondContact NE-OD2 2.88Å; R41-D116 IonicContact NH2-OD1 2.86Å; R41-D116 PolarHBondContact NH2-OD1 2.94Å; R41-D116 IonicContact NH2-OD2 3.71Å; R41-D116 PolarHBondContact O-N 3.18Å; D116-S141 WeakPolarHBondContact O-CB 3.42Å; D116-R170 PolarHBondContact O-N 2.83Å; D116-R170 IonicContact OD1-CZ 3.61Å; D116-R170 IonicContact OD1-NH2 2.91Å; D116-R170 PolarHBondContact OD1-NH2 2.75Å
117	W	98.9	Very high	98.6	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.6	-173.4	-56.2	95.7	0	0	0	111.5	R41 V42 F43 L136 Y139 V145 V167	R41-W117 PolarHBondContact O-N 2.83Å; R41-W117 VanDerWaalsContact O-N 3.14Å; V42-W117 WeakPolarHBondContact CA-O 3.41Å; V42-W117 HydrophobicContact CG1-CB 4.45Å; V42-W117 HydrophobicContact CG2-CB 4.21Å; F43-W117 PolarHBondContact N-O 3.34Å; W117-L136 HydrophobicContact CB-CD1 3.97Å; W117-L136 HydrophobicContact CD2-CB 4.38Å; W117-L136 HydrophobicContact CD2-CD1 3.86Å; W117-L136 HydrophobicContact CD2-CD2 3.63Å; W117-L136 HydrophobicContact CD2-CG 4.14Å; W117-L136 HydrophobicContact CE3-CD1 4.47Å; W117-L136 HydrophobicContact CE3-CD2 3.53Å; W117-L136 HydrophobicContact CE3-CG 4.5Å; W117-L136 HydrophobicContact CG-CD1 3.58Å; W117-L136 HydrophobicContact CG-CD2 4.28Å; W117-L136 HydrophobicContact CG-CG 4.37Å; W117-L136 HydrophobicContact CH2-CD2 4.04Å; W117-L136 HydrophobicContact CZ2-CB 4.23Å; W117-L136 HydrophobicContact CZ2-CD2 4.11Å; W117-L136 HydrophobicContact CZ3-CD2 3.73Å; W117-Y139 VanDerWaalsContact CH2-CB 3.48Å; W117-Y139 HydrophobicContact CH2-CG 4.49Å; W117-V145 HydrophobicContact CH2-CB 4.26Å; W117-V145 HydrophobicContact CH2-CG1 4.27Å; W117-V145 HydrophobicContact CH2-CG2 4.4Å; W117-V145 HydrophobicContact CZ3-CB 3.92Å; W117-V145 HydrophobicContact CZ3-CG1 3.87Å; W117-V167 HydrophobicContact CB-CG1 4.12Å; W117-V167 HydrophobicContact CE3-CG1 4.03Å
118	F	98.9	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	105.7	-177.1	-59	-84.4	0	0	0	109.6	F43 F104 I107 L112 V167 L168 R170 L173	F43-F118 HydrophobicContact CB-CD1 3.8Å; F43-F118 HydrophobicContact CB-CE1 4Å; F43-F118 HydrophobicContact CD1-CD1 4.34Å; F43-F118 HydrophobicContact CG-CD1 4.42Å; F43-F118 WeakPolarHBondContact O-CA 3.44Å; F104-F118 HydrophobicContact CE1-CB 4.24Å; I107-F118 HydrophobicContact CG2-CD1 3.25Å; I107-F118 HydrophobicContact CG2-CE1 3.32Å; I107-F118 HydrophobicContact CG2-CG 4.27Å; I107-F118 HydrophobicContact CG2-CZ 4.39Å; L112-F118 HydrophobicContact CD1-CE2 4.19Å; L112-F118 HydrophobicContact CD1-CZ 4.22Å; F118-V167 WeakPolarHBondContact O-CA 3.5Å; F118-L168 PolarHBondContact N-O 2.91Å; F118-L168 PolarHBondContact O-N 2.9Å; F118-R170 HydrophobicContact CE2-CB 4.17Å; F118-R170 HydrophobicContact CE2-CG 4.33Å; F118-L173 HydrophobicContact CB-CD2 4.39Å; F118-L173 HydrophobicContact CD1-CD2 3.9Å; F118-L173 HydrophobicContact CD2-CB 4.19Å; F118-L173 HydrophobicContact CD2-CD2 3.55Å; F118-L173 HydrophobicContact CE1-CD2 4.07Å; F118-L173 HydrophobicContact CE2-CD2 3.76Å; F118-L173 HydrophobicContact CG-CD2 3.64Å; F118-L173 HydrophobicContact CZ-CD2 4.02Å
119	L	98.9	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.7	178	171.1	69.8	0	0	0	109.7	V42 F43 W45 W64 V127 L129 L132 Y166 V167	V42-L119 HydrophobicContact CG1-CB 3.98Å; F43-L119 PolarHBondContact O-N 2.81Å; W45-L119 PolarHBondContact N-O 3.03Å; W64-L119 HydrophobicContact CZ3-CD2 4.32Å; L119-V127 HydrophobicContact CD2-CB 4.47Å; L119-V127 HydrophobicContact CD2-CG1 3.96Å; L119-V127 HydrophobicContact CD2-CG2 4.26Å; L119-L129 HydrophobicContact CD2-CD1 4.47Å; L119-L132 HydrophobicContact CD1-CD2 4.49Å; L119-L132 HydrophobicContact CD2-CD2 4.19Å; L119-Y166 WeakPolarHBondContact CA-O 3.42Å; L119-V167 HydrophobicContact CB-CG2 4.23Å; L119-V167 HydrophobicContact CD1-CG2 3.54Å; L119-V167 HydrophobicContact CG-CG2 4.47Å
120	K	98.8	Very high	98.5	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.9	161.3	-174.1	-94.7	-168.6	167.9	0	109.8	W45 F104 D122 G162 G165 Y166 E193	W45-K120 HydrophobicContact CD2-CG 4.13Å; W45-K120 HydrophobicContact CH2-CG 4Å; W45-K120 HydrophobicContact CZ2-CB 4.12Å; W45-K120 HydrophobicContact CZ2-CD 4.3Å; W45-K120 HydrophobicContact CZ2-CG 3.2Å; W45-K120 VanDerWaalsContact NE1-CB 3.27Å; W45-K120 WeakPolarHBondContact O-CA 3.23Å; F104-K120 HydrophobicContact CZ-CB 4.3Å; K120-D122 VanDerWaalsContact CE-OD1 3.23Å; K120-D122 WeakPolarHBondContact CE-OD1 3.35Å; K120-D122 IonicContact NZ-OD1 3.65Å; K120-D122 PolarHBondContact NZ-OD1 2.72Å; K120-D122 IonicContact NZ-OD2 3.49Å; K120-G162 PolarHBondContact NZ-O 3.15Å; K120-G162 VanDerWaalsContact NZ-O 3.11Å; K120-G165 WeakPolarHBondContact O-CA 3.5Å; K120-Y166 HydrophobicContact CB-CD2 3.84Å; K120-Y166 HydrophobicContact CB-CE1 4.11Å; K120-Y166 HydrophobicContact CB-CE2 3.32Å; K120-Y166 HydrophobicContact CB-CG 4.38Å; K120-Y166 VanDerWaalsContact CB-CZ 3.46Å; K120-Y166 HydrophobicContact CD-CD1 4.29Å; K120-Y166 HydrophobicContact CD-CE1 3.62Å; K120-Y166 HydrophobicContact CD-CE2 4.4Å; K120-Y166 HydrophobicContact CG-CE1 4.08Å; K120-Y166 HydrophobicContact CG-CE2 3.98Å; K120-Y166 WeakPolarHBondContact CG-OH 3.32Å; K120-Y166 PolarHBondContact N-O 3.08Å; K120-Y166 PolarHBondContact O-N 3.07Å; K120-Y166 VanDerWaalsContact O-N 3.16Å; K120-E193 WeakPolarHBondContact CE-OE2 3.01Å; K120-E193 IonicContact NZ-OE2 2.7Å; K120-E193 PolarHBondContact NZ-OE2 3.41Å
121	A	98.8	Very high	98.4	Very high	1 Å²	1	25 Å²	25	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.6	169	0	0	0	0	0	111.1	W45 V46 L47 W64 T125 V127	W45-A121 PolarHBondContact O-N 2.02Å; V46-A121 CarbonylContact C-O 3.48Å; V46-A121 VanDerWaalsContact CA-O 3.32Å; V46-A121 WeakPolarHBondContact CA-O 3.45Å; L47-A121 PolarHBondContact N-O 3.36Å; W64-A121 HydrophobicContact CH2-CB 3.68Å; W64-A121 HydrophobicContact CZ2-CB 3.92Å; A121-T125 HydrophobicContact CB-CG2 4.36Å; A121-V127 HydrophobicContact CB-CG2 4.4Å
122	D	98.5	Very high	98.4	Very high	29 Å²	29	19.8 Å²	19.8	16%	0.155	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	164.2	171.1	-67.9	-12.6	0	0	0	110.3	K120 D124 T125 G163 H263	K120-D122 VanDerWaalsContact CE-OD1 3.23Å; K120-D122 WeakPolarHBondContact CE-OD1 3.35Å; K120-D122 IonicContact NZ-OD1 3.65Å; K120-D122 PolarHBondContact NZ-OD1 2.72Å; K120-D122 IonicContact NZ-OD2 3.49Å; D122-D124 PolarHBondContact O-N 2.57Å; D122-T125 PolarHBondContact N-OG1 3.03Å; D122-T125 VanDerWaalsContact N-OG1 3.17Å; D122-T125 PolarHBondContact O-N 2.96Å; D122-T125 VanDerWaalsContact O-N 3.11Å; D122-G163 WeakPolarHBondContact OD2-CA 2.99Å; D122-H263 IonicContact OD2-NE2 3.77Å
123	D	98.2	Very high	98.4	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.043	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-1.8	-179.9	63	27.1	0	0	0	114.9	V46 L47 T48 N52 R56 V60 M270	V46-D123 HydrophobicContact CG1-CB 4.28Å; L47-D123 PolarHBondContact O-N 3.31Å; T48-D123 WeakPolarHBondContact CA-OD2 3.36Å; T48-D123 WeakPolarHBondContact CB-OD2 3.35Å; T48-D123 PolarHBondContact OG1-OD2 3.34Å; N52-D123 WeakPolarHBondContact CB-OD2 3.39Å; N52-D123 PolarHBondContact ND2-OD1 3.48Å; N52-D123 PolarHBondContact ND2-OD2 2.74Å; R56-D123 HydrophobicContact CB-CB 4.03Å; R56-D123 WeakPolarHBondContact CB-O 3.49Å; R56-D123 WeakPolarHBondContact CD-OD1 3.42Å; R56-D123 IonicContact CZ-OD1 3.95Å; R56-D123 IonicContact NE-OD1 2.85Å; R56-D123 IonicContact NH1-OD1 3.58Å; R56-D123 PolarHBondContact NH1-OD1 3.46Å; V60-D123 WeakPolarHBondContact CG2-O 3.43Å; D123-M270 WeakPolarHBondContact O-CE 3.48Å
124	D	98.5	Very high	98.2	Very high	20 Å²	20	13.9 Å²	13.9	11%	0.107	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	27.2	170.3	55.5	5.2	0	0	0	112.2	R56 D122 H263 Y264 V265	R56-D124 IonicContact CZ-OD2 3.52Å; R56-D124 IonicContact NH1-OD2 3.65Å; R56-D124 PolarHBondContact NH1-OD2 3.35Å; R56-D124 IonicContact NH2-OD2 2.72Å; D122-D124 PolarHBondContact O-N 2.57Å; D124-H263 CarbonylContact O-C 3.21Å; D124-H263 IonicContact OD1-CD2 3.86Å; D124-H263 PolarHBondContact OD1-CD2 3.14Å; D124-H263 IonicContact OD1-NE2 3.24Å; D124-H263 PolarHBondContact OD1-NE2 3.42Å; D124-Y264 PolarHBondContact O-N 3.3Å; D124-V265 PolarHBondContact O-N 3.23Å
125	T	98.8	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.			trans	-102.8	141.5	168	-49.8	0	0	0	0	110	W64 A121 D122 V127 G163 F262	W64-T125 PolarHBondContact NE1-O 2.85Å; A121-T125 HydrophobicContact CB-CG2 4.36Å; D122-T125 PolarHBondContact N-OG1 3.03Å; D122-T125 VanDerWaalsContact N-OG1 3.17Å; D122-T125 PolarHBondContact O-N 2.96Å; D122-T125 VanDerWaalsContact O-N 3.11Å; T125-V127 HydrophobicContact CG2-CG2 3.97Å; T125-G163 PolarHBondContact OG1-O 3.47Å; T125-F262 CarbonylContact C-O 3.54Å; T125-F262 WeakPolarHBondContact CA-O 3.49Å; T125-F262 WeakPolarHBondContact CG2-O 3.39Å
126	Y	98.9	Very high	98.1	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.008	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.1	168.4	-169.3	-82.2	0	0	0	110.2	W64 R67 I128 S261 F262 M270 L273 E274 I277 Y278	W64-Y126 HydrophobicContact CB-CD2 4.33Å; W64-Y126 HydrophobicContact CB-CE1 4.4Å; W64-Y126 HydrophobicContact CB-CE2 4.03Å; W64-Y126 AromaticContact CD1-CD2 3.54Å; W64-Y126 AromaticContact CD1-CG 3.93Å; W64-Y126 HydrophobicContact CG-CD2 4.25Å; W64-Y126 HydrophobicContact CG-CE2 4.41Å; W64-Y126 HydrophobicContact CG-CG 4.48Å; R67-Y126 PolarHBondContact NH2-OH 3.17Å; Y126-I128 HydrophobicContact CD1-CG1 4.43Å; Y126-I128 HydrophobicContact CE1-CG1 4.16Å; Y126-S261 WeakPolarHBondContact O-CA 3.23Å; Y126-S261 WeakPolarHBondContact O-CB 3.45Å; Y126-F262 PolarHBondContact N-O 2.78Å; Y126-F262 PolarHBondContact O-N 3.11Å; Y126-M270 HydrophobicContact CD2-CB 4.03Å; Y126-M270 HydrophobicContact CD2-CG 4.2Å; Y126-M270 HydrophobicContact CE2-CB 4.42Å; Y126-M270 WeakPolarHBondContact CE2-O 3.34Å; Y126-L273 HydrophobicContact CD1-CB 4.39Å; Y126-L273 HydrophobicContact CD1-CD1 4.09Å; Y126-L273 HydrophobicContact CD2-CB 4.37Å; Y126-L273 HydrophobicContact CD2-CD1 4.35Å; Y126-L273 HydrophobicContact CE1-CB 4.22Å; Y126-L273 HydrophobicContact CE2-CB 4.19Å; Y126-L273 HydrophobicContact CG-CB 4.47Å; Y126-L273 HydrophobicContact CG-CD1 3.9Å; Y126-E274 WeakPolarHBondContact OH-CA 3.08Å; Y126-E274 PolarHBondContact OH-OE2 2.63Å; Y126-I277 HydrophobicContact CE1-CD1 3.81Å; Y126-Y278 WeakPolarHBondContact OH-CE2 3.32Å
127	V	98.9	Very high	97.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.9	-175.1	-169.5	0	0	0	0	111.6	W64 L119 A121 T125 L129 I260	W64-V127 VanDerWaalsContact CB-O 3.25Å; W64-V127 WeakPolarHBondContact CB-O 3.46Å; W64-V127 HydrophobicContact CD2-CB 4.04Å; W64-V127 HydrophobicContact CD2-CG2 4.28Å; W64-V127 HydrophobicContact CE3-CB 3.77Å; W64-V127 HydrophobicContact CE3-CG2 4.15Å; W64-V127 HydrophobicContact CH2-CB 4.47Å; W64-V127 HydrophobicContact CH2-CG2 3.97Å; W64-V127 HydrophobicContact CZ2-CG2 4.08Å; W64-V127 HydrophobicContact CZ3-CB 4.01Å; W64-V127 HydrophobicContact CZ3-CG2 4Å; L119-V127 HydrophobicContact CD2-CB 4.47Å; L119-V127 HydrophobicContact CD2-CG1 3.96Å; L119-V127 HydrophobicContact CD2-CG2 4.26Å; A121-V127 HydrophobicContact CB-CG2 4.4Å; T125-V127 HydrophobicContact CG2-CG2 3.97Å; V127-L129 HydrophobicContact CB-CD2 4Å; V127-L129 HydrophobicContact CG1-CD2 3.9Å; V127-I260 CarbonylContact C-O 3.52Å; V127-I260 WeakPolarHBondContact CA-O 3.35Å; V127-I260 HydrophobicContact CG1-CG2 4.07Å; V127-I260 WeakPolarHBondContact CG1-O 3.37Å
128	I	98.6	Very high	97.6	Very high	21 Å²	21	10.7 Å²	10.7	11%	0.108	6%	0.057	C	C	.	.			trans	-96.5	92.8	174.4	-52.2	175.8	0	0	0	107.6	Y126 E130 N131 L132 I260 I277	Y126-I128 HydrophobicContact CD1-CG1 4.43Å; Y126-I128 HydrophobicContact CE1-CG1 4.16Å; I128-E130 VanDerWaalsContact C-N 3.26Å; I128-E130 PolarHBondContact O-N 2.72Å; I128-N131 HydrophobicContact CB-CB 4.21Å; I128-N131 HydrophobicContact CG2-CB 3.97Å; I128-N131 WeakPolarHBondContact CG2-ND2 3.1Å; I128-N131 PolarHBondContact O-N 3.19Å; I128-N131 VanDerWaalsContact O-N 3.16Å; I128-L132 PolarHBondContact O-N 3.05Å; I128-I260 PolarHBondContact N-O 3.17Å; I128-I277 HydrophobicContact CD1-CD1 3.73Å; I128-I277 HydrophobicContact CG1-CD1 4.1Å
129	L	98.5	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-30.8	-171.4	-90.6	-60	0	0	0	113	V42 W64 R67 L119 V127 L132 R133	V42-L129 HydrophobicContact CB-CD1 4.44Å; V42-L129 HydrophobicContact CG1-CD1 4.26Å; W64-L129 HydrophobicContact CE3-CD2 3.65Å; W64-L129 HydrophobicContact CZ3-CD2 4.13Å; R67-L129 HydrophobicContact CB-CB 3.86Å; R67-L129 HydrophobicContact CB-CD2 4.45Å; R67-L129 HydrophobicContact CB-CG 4.1Å; L119-L129 HydrophobicContact CD2-CD1 4.47Å; V127-L129 HydrophobicContact CB-CD2 4Å; V127-L129 HydrophobicContact CG1-CD2 3.9Å; L129-L132 HydrophobicContact CD1-CD2 3.99Å; L129-L132 PolarHBondContact O-N 2.71Å; L129-R133 WeakPolarHBondContact O-CG 3.43Å; L129-R133 PolarHBondContact O-N 3.11Å
130	E	96.2	Very high	97.3	Very high	39 Å²	39	19.9 Å²	19.9	18%	0.182	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-45.6	175.7	-68.1	73.6	-166.2	0	0	110.8	A33 R67 I128 L132 R133 L134 Y278	A33-E130 HydrophobicContact CB-CG 3.84Å; R67-E130 WeakPolarHBondContact CD-OE1 3.16Å; R67-E130 WeakPolarHBondContact CD-OE2 3.22Å; R67-E130 IonicContact NE-OE2 3.5Å; I128-E130 VanDerWaalsContact C-N 3.26Å; I128-E130 PolarHBondContact O-N 2.72Å; E130-L132 VanDerWaalsContact C-N 3.35Å; E130-R133 PolarHBondContact O-N 2.85Å; E130-L134 PolarHBondContact O-N 3.22Å; E130-Y278 PolarHBondContact OE2-OH 3.02Å; E130-Y278 VanDerWaalsContact OE2-OH 3.09Å
131	N	96.8	Very high	97.3	Very high	28 Å²	28	20.9 Å²	20.9	15%	0.15	10%	0.103	C	C	.	.	H	α-helix	trans	-69.9	-34.9	177.2	-67.8	-5.8	0	0	0	111.3	I128 L134 L135 F258 T259 I260	I128-N131 HydrophobicContact CB-CB 4.21Å; I128-N131 HydrophobicContact CG2-CB 3.97Å; I128-N131 WeakPolarHBondContact CG2-ND2 3.1Å; I128-N131 PolarHBondContact O-N 3.19Å; I128-N131 VanDerWaalsContact O-N 3.16Å; N131-L134 PolarHBondContact O-N 2.9Å; N131-L135 PolarHBondContact O-N 3.41Å; N131-F258 HydrophobicContact CB-CB 4.29Å; N131-F258 WeakPolarHBondContact ND2-CA 3.38Å; N131-T259 WeakPolarHBondContact CB-O 3.27Å; N131-T259 PolarHBondContact ND2-O 2.82Å; N131-I260 HydrophobicContact CB-CG1 4.16Å
132	L	98.5	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-49.3	171.8	175.8	57.5	0	0	0	110.6	V42 L119 I128 L129 E130 L134 L135 L136 V167 F220 I260	V42-L132 HydrophobicContact CG1-CD2 4.21Å; L119-L132 HydrophobicContact CD1-CD2 4.49Å; L119-L132 HydrophobicContact CD2-CD2 4.19Å; I128-L132 PolarHBondContact O-N 3.05Å; L129-L132 HydrophobicContact CD1-CD2 3.99Å; L129-L132 PolarHBondContact O-N 2.71Å; E130-L132 VanDerWaalsContact C-N 3.35Å; L132-L134 VanDerWaalsContact C-N 3.26Å; L132-L134 PolarHBondContact O-N 3.04Å; L132-L135 WeakPolarHBondContact O-CA 3.43Å; L132-L135 WeakPolarHBondContact O-CB 3.45Å; L132-L135 PolarHBondContact O-N 3.2Å; L132-L136 HydrophobicContact CD1-CD1 3.88Å; L132-L136 HydrophobicContact CD1-CD2 4.21Å; L132-L136 HydrophobicContact CD1-CG 3.86Å; L132-L136 HydrophobicContact CD2-CD1 4.27Å; L132-L136 HydrophobicContact CG-CD1 3.71Å; L132-L136 HydrophobicContact CG-CG 4.14Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.24Å; L132-L136 PolarHBondContact O-N 3.04Å; L132-V167 HydrophobicContact CD1-CG2 3.83Å; L132-V167 HydrophobicContact CD2-CG2 4.04Å; L132-F220 HydrophobicContact CD1-CZ 4.11Å; L132-I260 HydrophobicContact CB-CG1 4.45Å; L132-I260 HydrophobicContact CB-CG2 3.89Å; L132-I260 HydrophobicContact CD1-CD1 4.17Å; L132-I260 HydrophobicContact CD1-CG2 4.23Å
133	R	97.5	Very high	97.2	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-37.2	179.3	-72.3	178.8	-179	113.6	-0.8	112.2	I36 A37 V40 V42 R67 N69 L129 E130 L135 L136 L137	I36-R133 HydrophobicContact CG2-CB 3.69Å; I36-R133 HydrophobicContact CG2-CG 4.42Å; A37-R133 VanDerWaalsContact CB-CZ 3.46Å; V40-R133 HydrophobicContact CB-CB 4.37Å; V40-R133 HydrophobicContact CB-CG 4.07Å; V40-R133 HydrophobicContact CG1-CB 4.28Å; V40-R133 HydrophobicContact CG1-CG 3.92Å; V40-R133 PolarHBondContact O-NE 2.68Å; V42-R133 HydrophobicContact CG2-CG 4.37Å; R67-R133 PolarHBondContact O-NH1 2.97Å; R67-R133 PolarHBondContact O-NH2 3.27Å; N69-R133 PolarHBondContact OD1-NH2 3.08Å; L129-R133 WeakPolarHBondContact O-CG 3.43Å; L129-R133 PolarHBondContact O-N 3.11Å; E130-R133 PolarHBondContact O-N 2.85Å; R133-L135 VanDerWaalsContact C-N 3.3Å; R133-L135 PolarHBondContact O-N 3.04Å; R133-L136 PolarHBondContact O-N 3.17Å; R133-L136 VanDerWaalsContact O-N 3.16Å; R133-L137 WeakPolarHBondContact O-CG 3.41Å; R133-L137 PolarHBondContact O-N 2.97Å
134	L	94.7	Very high	97.2	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-58.2	-41.6	173.2	177.7	68.6	0	0	0	112.3	E130 N131 L132 F258 F310 A311 N315	E130-L134 PolarHBondContact O-N 3.22Å; N131-L134 PolarHBondContact O-N 2.9Å; L132-L134 VanDerWaalsContact C-N 3.26Å; L132-L134 PolarHBondContact O-N 3.04Å; L134-F258 HydrophobicContact CD2-CB 4.03Å; L134-F258 HydrophobicContact CD2-CD1 3.39Å; L134-F258 HydrophobicContact CD2-CD2 4.06Å; L134-F258 HydrophobicContact CD2-CE1 3.78Å; L134-F258 HydrophobicContact CD2-CE2 4.39Å; L134-F258 HydrophobicContact CD2-CG 3.53Å; L134-F258 HydrophobicContact CD2-CZ 4.26Å; L134-F310 HydrophobicContact CD1-CD1 3.66Å; L134-F310 HydrophobicContact CD1-CE1 4.1Å; L134-F310 HydrophobicContact CD2-CD1 4.25Å; L134-F310 HydrophobicContact CD2-CE1 3.8Å; L134-A311 HydrophobicContact CD1-CB 3.81Å; L134-A311 WeakPolarHBondContact O-CB 3.4Å; L134-N315 PolarHBondContact O-ND2 3.26Å
135	L	96.3	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-50.3	172.4	172.3	50.6	0	0	0	111	N131 L132 R133 L137 S138 Y139 L147 F220 I260	N131-L135 PolarHBondContact O-N 3.41Å; L132-L135 WeakPolarHBondContact O-CA 3.43Å; L132-L135 WeakPolarHBondContact O-CB 3.45Å; L132-L135 PolarHBondContact O-N 3.2Å; R133-L135 VanDerWaalsContact C-N 3.3Å; R133-L135 PolarHBondContact O-N 3.04Å; L135-L137 PolarHBondContact O-N 2.95Å; L135-S138 PolarHBondContact O-N 2.7Å; L135-Y139 HydrophobicContact CD1-CD2 4.21Å; L135-Y139 HydrophobicContact CD1-CE2 3.55Å; L135-Y139 HydrophobicContact CG-CE2 4.37Å; L135-L147 HydrophobicContact CD2-CD1 4.21Å; L135-L147 HydrophobicContact CD2-CD2 4.45Å; L135-L147 HydrophobicContact CG-CD1 4.3Å; L135-F220 HydrophobicContact CD2-CE2 3.95Å; L135-F220 HydrophobicContact CD2-CZ 4.42Å; L135-I260 HydrophobicContact CB-CD1 3.94Å; L135-I260 HydrophobicContact CD2-CD1 3.5Å; L135-I260 VanDerWaalsContact CD2-CD1 3.5Å; L135-I260 HydrophobicContact CG-CD1 4.37Å
136	L	97.6	Very high	97.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-23.9	-173.9	-63.9	177.2	0	0	0	113.7	V40 V42 W117 L132 R133 S138 Y139 L147 V167	V40-L136 HydrophobicContact CG1-CB 3.71Å; V40-L136 HydrophobicContact CG1-CD1 3.87Å; V40-L136 HydrophobicContact CG1-CG 4.46Å; V42-L136 HydrophobicContact CG2-CD1 3.9Å; W117-L136 HydrophobicContact CB-CD1 3.97Å; W117-L136 HydrophobicContact CD2-CB 4.38Å; W117-L136 HydrophobicContact CD2-CD1 3.86Å; W117-L136 HydrophobicContact CD2-CD2 3.63Å; W117-L136 HydrophobicContact CD2-CG 4.14Å; W117-L136 HydrophobicContact CE3-CD1 4.47Å; W117-L136 HydrophobicContact CE3-CD2 3.53Å; W117-L136 HydrophobicContact CE3-CG 4.5Å; W117-L136 HydrophobicContact CG-CD1 3.58Å; W117-L136 HydrophobicContact CG-CD2 4.28Å; W117-L136 HydrophobicContact CG-CG 4.37Å; W117-L136 HydrophobicContact CH2-CD2 4.04Å; W117-L136 HydrophobicContact CZ2-CB 4.23Å; W117-L136 HydrophobicContact CZ2-CD2 4.11Å; W117-L136 HydrophobicContact CZ3-CD2 3.73Å; L132-L136 HydrophobicContact CD1-CD1 3.88Å; L132-L136 HydrophobicContact CD1-CD2 4.21Å; L132-L136 HydrophobicContact CD1-CG 3.86Å; L132-L136 HydrophobicContact CD2-CD1 4.27Å; L132-L136 HydrophobicContact CG-CD1 3.71Å; L132-L136 HydrophobicContact CG-CG 4.14Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.24Å; L132-L136 PolarHBondContact O-N 3.04Å; R133-L136 PolarHBondContact O-N 3.17Å; R133-L136 VanDerWaalsContact O-N 3.16Å; L136-S138 PolarHBondContact O-N 3.16Å; L136-S138 VanDerWaalsContact O-N 3.13Å; L136-Y139 PolarHBondContact O-N 3.49Å; L136-L147 HydrophobicContact CD2-CD1 3.71Å; L136-V167 HydrophobicContact CD2-CG1 4.26Å
137	L	95.3	Very high	97.1	Very high	32 Å²	32	29.8 Å²	29.8	17%	0.168	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.4	171.1	-76.6	173.6	0	0	0	113.7	I36 V40 R133 L135 A307 A311	I36-L137 HydrophobicContact CD1-CD1 4.24Å; I36-L137 HydrophobicContact CG1-CD1 4.46Å; I36-L137 HydrophobicContact CG2-CD1 4.08Å; I36-L137 HydrophobicContact CG2-CD2 4.37Å; I36-L137 HydrophobicContact CG2-CG 4.28Å; V40-L137 HydrophobicContact CG2-CD2 3.67Å; V40-L137 HydrophobicContact CG2-CG 4.14Å; R133-L137 WeakPolarHBondContact O-CG 3.41Å; R133-L137 PolarHBondContact O-N 2.97Å; L135-L137 PolarHBondContact O-N 2.95Å; L137-A307 HydrophobicContact CD1-CB 3.83Å; L137-A311 HydrophobicContact CB-CB 3.85Å; L137-A311 HydrophobicContact CD1-CB 4.47Å
138	S	93.2	Very high	97.1	Very high	25 Å²	25	29.8 Å²	29.8	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2.4	176.7	-60.1	0	0	0	0	114.1	L135 L136 A311 N315	L135-S138 PolarHBondContact O-N 2.7Å; L136-S138 PolarHBondContact O-N 3.16Å; L136-S138 VanDerWaalsContact O-N 3.13Å; S138-A311 PolarHBondContact OG-O 3.37Å; S138-N315 PolarHBondContact OG-ND2 3.25Å
139	Y	95	Very high	97.1	Very high	49 Å²	49	29.2 Å²	29.2	19%	0.192	15%	0.152	C	C	.	.	S	Bend	trans	-128.6	158.1	-179.7	-66.1	-92.1	0	0	0	110.8	W117 L135 L136 V145 L147 G210 V317	W117-Y139 VanDerWaalsContact CH2-CB 3.48Å; W117-Y139 HydrophobicContact CH2-CG 4.49Å; L135-Y139 HydrophobicContact CD1-CD2 4.21Å; L135-Y139 HydrophobicContact CD1-CE2 3.55Å; L135-Y139 HydrophobicContact CG-CE2 4.37Å; L136-Y139 PolarHBondContact O-N 3.49Å; Y139-V145 HydrophobicContact CD1-CB 4.4Å; Y139-V145 HydrophobicContact CD1-CG1 3.76Å; Y139-V145 HydrophobicContact CD1-CG2 3.69Å; Y139-V145 HydrophobicContact CE1-CG1 4.21Å; Y139-V145 HydrophobicContact CG-CG1 4.13Å; Y139-V145 HydrophobicContact CG-CG2 4.32Å; Y139-L147 HydrophobicContact CD2-CD1 4.23Å; Y139-L147 HydrophobicContact CE2-CD1 4.27Å; Y139-L147 HydrophobicContact CE2-CD2 4.25Å; Y139-G210 PolarHBondContact OH-O 3.04Å; Y139-V317 HydrophobicContact CE2-CG2 4.02Å
140	K	96.1	Very high	97	Very high	145 Å²	145	29.8 Å²	29.8	63%	0.63	16%	0.155	S	C	*	.			trans	-102.9	133.9	172.1	-53.9	174.7	-176.2	167.2	0	109.3	N142 D143	K140-N142 PolarHBondContact O-N 3.13Å; K140-D143 HydrophobicContact CB-CB 4.48Å; K140-D143 WeakPolarHBondContact CB-OD2 3.43Å; K140-D143 WeakPolarHBondContact O-CB 3.34Å; K140-D143 PolarHBondContact O-N 2.86Å
141	S	97.8	Very high	97.1	Very high	24 Å²	24	28.1 Å²	28.1	17%	0.168	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.4	177.5	54.6	0	0	0	0	114	D116 D143 S169 R170 N171	D116-S141 WeakPolarHBondContact O-CB 3.42Å; S141-D143 VanDerWaalsContact C-N 3.35Å; S141-S169 WeakPolarHBondContact O-CB 3.22Å; S141-R170 PolarHBondContact O-N 3.2Å; S141-N171 PolarHBondContact O-N 3.27Å; S141-N171 VanDerWaalsContact O-N 3.07Å
142	N	98.1	Very high	97.1	Very high	116 Å²	116	33.7 Å²	33.7	62%	0.62	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-12	175.5	-67.5	-3.9	0	0	0	112.7	K140 N171	K140-N142 PolarHBondContact O-N 3.13Å; N142-N171 WeakPolarHBondContact O-CB 3.1Å; N142-N171 VanDerWaalsContact O-CG 3.26Å; N142-N171 PolarHBondContact O-ND2 3.08Å
143	D	97.9	Very high	97	Very high	81 Å²	81	38.1 Å²	38.1	43%	0.433	18%	0.184	S	C	.	.	S	Bend	trans	-87.7	156.8	173.9	-60.4	-20.5	0	0	0	110	K140 S141 V145 S169	K140-D143 HydrophobicContact CB-CB 4.48Å; K140-D143 WeakPolarHBondContact CB-OD2 3.43Å; K140-D143 WeakPolarHBondContact O-CB 3.34Å; K140-D143 PolarHBondContact O-N 2.86Å; S141-D143 VanDerWaalsContact C-N 3.35Å; D143-V145 HydrophobicContact CB-CG2 4.13Å; D143-V145 PolarHBondContact O-N 2.91Å; D143-S169 VanDerWaalsContact O-CB 3.26Å; D143-S169 WeakPolarHBondContact O-CB 3.33Å; D143-S169 PolarHBondContact O-OG 3.44Å
144	S	98	Very high	96.7	Very high	42 Å²	42	43.1 Å²	43.1	29%	0.294	22%	0.217	S	C	.	.			trans	-76.4	83.5	178.4	-60.8	0	0	0	0	112.2	N171 Q175	S144-N171 PolarHBondContact OG-ND2 2.88Å; S144-Q175 VanDerWaalsContact OG-CD 3.24Å; S144-Q175 PolarHBondContact OG-NE2 3.48Å; S144-Q175 VanDerWaalsContact OG-NE2 3.16Å; S144-Q175 PolarHBondContact OG-OE1 3.03Å
145	V	98.3	Very high	96.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	25%	0.246	C	C	.	.			trans	-110.3	129	-176.2	-179.2	0	0	0	0	111.7	W117 Y139 D143 L147 S169 A172	W117-V145 HydrophobicContact CH2-CB 4.26Å; W117-V145 HydrophobicContact CH2-CG1 4.27Å; W117-V145 HydrophobicContact CH2-CG2 4.4Å; W117-V145 HydrophobicContact CZ3-CB 3.92Å; W117-V145 HydrophobicContact CZ3-CG1 3.87Å; Y139-V145 HydrophobicContact CD1-CB 4.4Å; Y139-V145 HydrophobicContact CD1-CG1 3.76Å; Y139-V145 HydrophobicContact CD1-CG2 3.69Å; Y139-V145 HydrophobicContact CE1-CG1 4.21Å; Y139-V145 HydrophobicContact CG-CG1 4.13Å; Y139-V145 HydrophobicContact CG-CG2 4.32Å; D143-V145 HydrophobicContact CB-CG2 4.13Å; D143-V145 PolarHBondContact O-N 2.91Å; V145-L147 HydrophobicContact CG1-CD1 3.58Å; V145-L147 HydrophobicContact CG1-CD2 4.33Å; V145-L147 HydrophobicContact CG1-CG 3.61Å; V145-S169 PolarHBondContact N-OG 3.36Å; V145-S169 PolarHBondContact O-N 3.46Å; V145-S169 PolarHBondContact O-OG 3.01Å; V145-A172 WeakPolarHBondContact O-CB 3.45Å
146	Y	98.6	Very high	96.6	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109	174.1	173.6	-150.4	0	0	0	109.3	M160 Y166 V167 L168 L197 L201 P208 S209	Y146-M160 HydrophobicContact CD1-CE 4.36Å; Y146-M160 HydrophobicContact CD1-CG 4.24Å; Y146-M160 HydrophobicContact CD2-CG 3.84Å; Y146-M160 HydrophobicContact CE1-CB 4.48Å; Y146-M160 HydrophobicContact CE1-CG 3.78Å; Y146-M160 HydrophobicContact CE2-CB 3.8Å; Y146-M160 HydrophobicContact CE2-CG 3.33Å; Y146-M160 HydrophobicContact CG-CE 4.36Å; Y146-M160 HydrophobicContact CG-CG 4.29Å; Y146-M160 WeakPolarHBondContact O-CE 3.4Å; Y146-M160 WeakPolarHBondContact OH-CB 3.14Å; Y146-M160 PolarHBondContact OH-N 2.58Å; Y146-M160 VanDerWaalsContact OH-N 3.12Å; Y146-Y166 HydrophobicContact CE2-CD2 4.14Å; Y146-Y166 HydrophobicContact CE2-CG 4.05Å; Y146-V167 WeakPolarHBondContact CA-O 3.32Å; Y146-L168 HydrophobicContact CD2-CD2 3.44Å; Y146-L168 VanDerWaalsContact CD2-CD2 3.44Å; Y146-L168 HydrophobicContact CE2-CD2 4.05Å; Y146-L168 HydrophobicContact CG-CD2 4.03Å; Y146-L197 HydrophobicContact CE2-CD2 4.48Å; Y146-L201 HydrophobicContact CD1-CD1 3.5Å; Y146-L201 HydrophobicContact CD2-CD1 3.79Å; Y146-L201 HydrophobicContact CE1-CD1 3.48Å; Y146-L201 VanDerWaalsContact CE1-CD1 3.48Å; Y146-L201 HydrophobicContact CE2-CD1 3.76Å; Y146-L201 HydrophobicContact CG-CD1 3.65Å; Y146-P208 HydrophobicContact CD1-CB 4.31Å; Y146-P208 HydrophobicContact CD1-CG 4.07Å; Y146-P208 HydrophobicContact CE1-CG 4.29Å; Y146-S209 PolarHBondContact N-OG 2.66Å; Y146-S209 VanDerWaalsContact O-CB 3.3Å; Y146-S209 WeakPolarHBondContact O-CB 3.06Å; Y146-S209 PolarHBondContact O-N 3.13Å
147	L	98.5	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.6	-173.4	-67.2	161.9	0	0	0	111.2	L135 L136 Y139 V145 Y166 V167 G210	L135-L147 HydrophobicContact CD2-CD1 4.21Å; L135-L147 HydrophobicContact CD2-CD2 4.45Å; L135-L147 HydrophobicContact CG-CD1 4.3Å; L136-L147 HydrophobicContact CD2-CD1 3.71Å; Y139-L147 HydrophobicContact CD2-CD1 4.23Å; Y139-L147 HydrophobicContact CE2-CD1 4.27Å; Y139-L147 HydrophobicContact CE2-CD2 4.25Å; V145-L147 HydrophobicContact CG1-CD1 3.58Å; V145-L147 HydrophobicContact CG1-CD2 4.33Å; V145-L147 HydrophobicContact CG1-CG 3.61Å; L147-Y166 CarbonylContact O-C 3.56Å; L147-Y166 WeakPolarHBondContact O-CA 3.25Å; L147-Y166 VanDerWaalsContact O-CB 3.32Å; L147-Y166 WeakPolarHBondContact O-CB 3.34Å; L147-V167 HydrophobicContact CB-CB 4.37Å; L147-V167 PolarHBondContact N-O 2.93Å; L147-V167 PolarHBondContact O-N 2.96Å; L147-G210 WeakPolarHBondContact CD2-O 3.16Å
148	G	98.2	Very high	96.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-159.3	177.8	0	0	0	0	0	111.1	N150 M160 S211	G148-N150 PolarHBondContact O-N 3.05Å; G148-M160 VanDerWaalsContact C-SD 3.55Å; G148-S211 PolarHBondContact O-OG 3.4Å
149	S	97.9	Very high	96.9	Very high	10 Å²	10	51.5 Å²	51.5	7%	0.07	27%	0.272	C	S	.	.	S	Bend	trans	-80.7	103	172.6	176.3	0	0	0	0	110.3	F151 M160 S161 F220 P222	S149-F151 PolarHBondContact O-N 3Å; S149-F151 VanDerWaalsContact O-N 3.12Å; S149-M160 CarbonylContact O-C 3.56Å; S149-M160 VanDerWaalsContact O-CA 3.31Å; S149-M160 WeakPolarHBondContact O-CA 3.26Å; S149-S161 PolarHBondContact O-N 2.84Å; S149-F220 WeakPolarHBondContact CB-O 3.49Å; S149-P222 VanDerWaalsContact OG-CG 3.24Å; S149-P222 WeakPolarHBondContact OG-CG 3.13Å
150	N	97.6	Very high	97.1	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.064	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	111.7	-178.6	-65.9	89.6	0	0	0	112.8	G148 M160 S209 Q245 Y246	G148-N150 PolarHBondContact O-N 3.05Å; N150-M160 HydrophobicContact CB-SD 4.39Å; N150-S209 PolarHBondContact ND2-O 2.61Å; N150-S209 VanDerWaalsContact ND2-O 3.09Å; N150-Q245 HydrophobicContact CB-CB 3.95Å; N150-Q245 WeakPolarHBondContact O-CB 3.37Å; N150-Q245 PolarHBondContact O-N 3.15Å; N150-Y246 HydrophobicContact CB-CD2 4.06Å; N150-Y246 HydrophobicContact CB-CE2 3.7Å
151	F	97.8	Very high	97.2	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.6	173.9	-78.5	0.4	0	0	0	112	S149 L158 Y159 S161 P222 W239 L240 F243	S149-F151 PolarHBondContact O-N 3Å; S149-F151 VanDerWaalsContact O-N 3.12Å; F151-L158 WeakPolarHBondContact O-CA 3.43Å; F151-Y159 HydrophobicContact CB-CD1 3.92Å; F151-Y159 HydrophobicContact CB-CD2 4.26Å; F151-Y159 HydrophobicContact CB-CE1 3.53Å; F151-Y159 HydrophobicContact CB-CE2 3.93Å; F151-Y159 HydrophobicContact CB-CG 4.25Å; F151-Y159 AromaticContact CD2-CE2 3.76Å; F151-Y159 HydrophobicContact CD2-CE2 3.76Å; F151-Y159 AromaticContact CD2-CZ 3.7Å; F151-Y159 WeakPolarHBondContact CD2-OH 3.18Å; F151-Y159 HydrophobicContact CG-CE2 4.37Å; F151-Y159 PolarHBondContact N-O 3.19Å; F151-Y159 PolarHBondContact O-N 3.27Å; F151-Y159 VanDerWaalsContact O-O 3.11Å; F151-S161 VanDerWaalsContact CE2-CB 3.47Å; F151-P222 HydrophobicContact CE1-CG 3.64Å; F151-P222 HydrophobicContact CE2-CG 4.36Å; F151-P222 HydrophobicContact CZ-CB 3.77Å; F151-P222 HydrophobicContact CZ-CG 3.36Å; F151-W239 HydrophobicContact CE2-CH2 4.32Å; F151-W239 AromaticContact CE2-CZ3 3.63Å; F151-W239 HydrophobicContact CE2-CZ3 3.63Å; F151-W239 HydrophobicContact CZ-CH2 4.18Å; F151-W239 AromaticContact CZ-CZ3 3.61Å; F151-W239 HydrophobicContact CZ-CZ3 3.61Å; F151-L240 HydrophobicContact CE1-CD1 3.92Å; F151-L240 HydrophobicContact CZ-CD1 3.8Å; F151-F243 CarbonylContact C-O 3.56Å; F151-F243 WeakPolarHBondContact CA-O 3.49Å; F151-F243 WeakPolarHBondContact CB-O 3.47Å; F151-F243 HydrophobicContact CD2-CB 4.14Å; F151-F243 HydrophobicContact CE2-CB 4.36Å; F151-F243 HydrophobicContact CG-CB 4.21Å
152	R	97.2	Very high	97.2	Very high	145 Å²	145	41.6 Å²	41.6	55%	0.547	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.1	174.3	179.5	174.6	-178.6	-176.9	1.6	108.8	L158 F243 Q245	R152-L158 HydrophobicContact CB-CD2 3.8Å; R152-L158 HydrophobicContact CG-CD2 3.82Å; R152-F243 PolarHBondContact N-O 3.08Å; R152-Q245 HydrophobicContact CB-CB 4.4Å
153	Y	95.7	Very high	97.2	Very high	92 Å²	92	36.4 Å²	36.4	36%	0.361	20%	0.202	S	C	.	.			trans	-72.7	153.7	173.8	-160.3	-103.5	0	0	0	110.1	S155 G156 Q157 L195 F243	Y153-S155 WeakPolarHBondContact CD1-OG 3.2Å; Y153-S155 PolarHBondContact O-N 3.32Å; Y153-G156 WeakPolarHBondContact O-CA 3.44Å; Y153-G156 PolarHBondContact O-N 3.06Å; Y153-Q157 PolarHBondContact N-O 2.93Å; Y153-L195 HydrophobicContact CD2-CD1 4Å; Y153-L195 HydrophobicContact CD2-CD2 3.73Å; Y153-L195 HydrophobicContact CE2-CD2 3.76Å; Y153-L195 HydrophobicContact CG-CD1 3.98Å; Y153-L195 HydrophobicContact CG-CD2 4.17Å; Y153-F243 HydrophobicContact CD2-CD1 4.25Å; Y153-F243 AromaticContact CD2-CE1 3.53Å; Y153-F243 HydrophobicContact CD2-CE1 3.53Å; Y153-F243 HydrophobicContact CD2-CZ 4.49Å; Y153-F243 AromaticContact CE2-CE1 3.75Å; Y153-F243 HydrophobicContact CE2-CE1 3.75Å; Y153-F243 HydrophobicContact CE2-CZ 4.3Å; Y153-F243 HydrophobicContact CG-CE1 4.44Å
154	P	92.3	Very high	97.2	Very high	111 Å²	111	32.5 Å²	32.5	72%	0.721	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.5	177.5	-32.2	36.2	0	0	0	115.6	G156 F243	P154-G156 PolarHBondContact O-N 2.98Å; P154-F243 HydrophobicContact CG-CE1 4.41Å
155	S	93.3	Very high	97.3	Very high	95 Å²	95	30.5 Å²	30.5	66%	0.664	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-4	174.7	66.9	0	0	0	0	114.6	Y153	Y153-S155 WeakPolarHBondContact CD1-OG 3.2Å; Y153-S155 PolarHBondContact O-N 3.32Å
156	G	95	Very high	97.3	Very high	31 Å²	31	30.2 Å²	30.2	32%	0.32	17%	0.166	S	C	.	.	S	Bend	trans	92	-7.1	-174.2	0	0	0	0	0	114.9	Y153 P154 L158	Y153-G156 WeakPolarHBondContact O-CA 3.44Å; Y153-G156 PolarHBondContact O-N 3.06Å; P154-G156 PolarHBondContact O-N 2.98Å; G156-L158 PolarHBondContact O-N 3.38Å
157	Q	96.3	Very high	97.3	Very high	49 Å²	49	30.2 Å²	30.2	23%	0.229	17%	0.166	C	C	.	.			trans	-60.5	125.2	176.5	176.2	63.7	53.4	0	0	111	Y153 L195 G198	Y153-Q157 PolarHBondContact N-O 2.93Å; Q157-L195 HydrophobicContact CB-CD1 4.24Å; Q157-L195 HydrophobicContact CG-CD1 3.69Å; Q157-G198 PolarHBondContact NE2-O 2.99Å
158	L	98.1	Very high	97.3	Very high	57 Å²	57	30.2 Å²	30.2	30%	0.298	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.9	176.1	-56.1	-179.6	0	0	0	110.9	F151 R152 G156 P208	F151-L158 WeakPolarHBondContact O-CA 3.43Å; R152-L158 HydrophobicContact CB-CD2 3.8Å; R152-L158 HydrophobicContact CG-CD2 3.82Å; G156-L158 PolarHBondContact O-N 3.38Å; L158-P208 HydrophobicContact CB-CG 3.75Å
159	Y	98.2	Very high	97.3	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	176.6	-178.9	67.3	-70.4	0	0	0	110.3	F151 D194 L195 F243	F151-Y159 HydrophobicContact CB-CD1 3.92Å; F151-Y159 HydrophobicContact CB-CD2 4.26Å; F151-Y159 HydrophobicContact CB-CE1 3.53Å; F151-Y159 HydrophobicContact CB-CE2 3.93Å; F151-Y159 HydrophobicContact CB-CG 4.25Å; F151-Y159 AromaticContact CD2-CE2 3.76Å; F151-Y159 HydrophobicContact CD2-CE2 3.76Å; F151-Y159 AromaticContact CD2-CZ 3.7Å; F151-Y159 WeakPolarHBondContact CD2-OH 3.18Å; F151-Y159 HydrophobicContact CG-CE2 4.37Å; F151-Y159 PolarHBondContact N-O 3.19Å; F151-Y159 PolarHBondContact O-N 3.27Å; F151-Y159 VanDerWaalsContact O-O 3.11Å; Y159-D194 HydrophobicContact CD2-CB 4.16Å; Y159-D194 HydrophobicContact CE2-CB 4.45Å; Y159-L195 HydrophobicContact CD1-CD1 3.83Å; Y159-L195 HydrophobicContact CD2-CB 4.37Å; Y159-L195 HydrophobicContact CE1-CD1 3.99Å; Y159-L195 HydrophobicContact CE2-CB 4.39Å; Y159-L195 HydrophobicContact CG-CD1 4.18Å; Y159-F243 WeakPolarHBondContact OH-CD1 3.44Å
160	M	98.4	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.3	172.9	-59.3	-55.3	179.9	0	0	109.7	Y146 G148 S149 N150 G162 D194 P208 S209	Y146-M160 HydrophobicContact CD1-CE 4.36Å; Y146-M160 HydrophobicContact CD1-CG 4.24Å; Y146-M160 HydrophobicContact CD2-CG 3.84Å; Y146-M160 HydrophobicContact CE1-CB 4.48Å; Y146-M160 HydrophobicContact CE1-CG 3.78Å; Y146-M160 HydrophobicContact CE2-CB 3.8Å; Y146-M160 HydrophobicContact CE2-CG 3.33Å; Y146-M160 HydrophobicContact CG-CE 4.36Å; Y146-M160 HydrophobicContact CG-CG 4.29Å; Y146-M160 WeakPolarHBondContact O-CE 3.4Å; Y146-M160 WeakPolarHBondContact OH-CB 3.14Å; Y146-M160 PolarHBondContact OH-N 2.58Å; Y146-M160 VanDerWaalsContact OH-N 3.12Å; G148-M160 VanDerWaalsContact C-SD 3.55Å; S149-M160 CarbonylContact O-C 3.56Å; S149-M160 VanDerWaalsContact O-CA 3.31Å; S149-M160 WeakPolarHBondContact O-CA 3.26Å; N150-M160 HydrophobicContact CB-SD 4.39Å; M160-G162 PolarHBondContact O-N 3.21Å; M160-D194 WeakPolarHBondContact O-CB 3.3Å; M160-P208 HydrophobicContact CE-CB 3.65Å; M160-S209 WeakPolarHBondContact CE-O 3.4Å
161	S	98.1	Very high	97.4	Very high	6 Å²	6	33 Å²	33	4%	0.042	18%	0.177	C	C	.	.			trans	-57.8	128.1	172.4	-177.4	0	0	0	0	112	S149 F151 P222	S149-S161 PolarHBondContact O-N 2.84Å; F151-S161 VanDerWaalsContact CE2-CB 3.47Å; S161-P222 WeakPolarHBondContact OG-CB 3.32Å
162	G	98.1	Very high	97.5	Very high	3 Å²	3	32.8 Å²	32.8	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	-65.1	-42.5	-179.7	0	0	0	0	0	113.9	K120 M160 G165 D194	K120-G162 PolarHBondContact NZ-O 3.15Å; K120-G162 VanDerWaalsContact NZ-O 3.11Å; M160-G162 PolarHBondContact O-N 3.21Å; G162-G165 PolarHBondContact O-N 2.82Å; G162-D194 VanDerWaalsContact N-CB 3.29Å; G162-D194 PolarHBondContact N-OD2 3.4Å
163	G	97.9	Very high	97.6	Very high	7 Å²	7	25.9 Å²	25.9	7%	0.072	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-29.7	-176.2	0	0	0	0	0	114	D122 T125 G165 H263	D122-G163 WeakPolarHBondContact OD2-CA 2.99Å; T125-G163 PolarHBondContact OG1-O 3.47Å; G163-G165 PolarHBondContact O-N 2.94Å; G163-H263 VanDerWaalsContact O-CB 3.26Å; G163-H263 WeakPolarHBondContact O-CB 3.48Å; G163-H263 PolarHBondContact O-CD2 3.39Å
164	A	98.3	Very high	97.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.2	170.3	0	0	0	0	0	112	F220 P222 S261	A164-F220 HydrophobicContact CB-CB 4.1Å; A164-P222 HydrophobicContact CB-CG 4.24Å; A164-S261 VanDerWaalsContact O-CB 3.28Å; A164-S261 WeakPolarHBondContact O-CB 3.21Å; A164-S261 PolarHBondContact O-OG 2.85Å
165	G	98.8	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.			trans	78.9	155.6	-166.8	0	0	0	0	0	112.1	K120 G162 G163	K120-G165 WeakPolarHBondContact O-CA 3.5Å; G162-G165 PolarHBondContact O-N 2.82Å; G163-G165 PolarHBondContact O-N 2.94Å
166	Y	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.9	180	56.1	-108.4	0	0	0	110.6	F104 L119 K120 Y146 L147 E193 L197	F104-Y166 AromaticContact CE2-CE2 3.83Å; F104-Y166 HydrophobicContact CE2-CE2 3.83Å; F104-Y166 AromaticContact CZ-CE2 3.77Å; F104-Y166 HydrophobicContact CZ-CE2 3.77Å; L119-Y166 WeakPolarHBondContact CA-O 3.42Å; K120-Y166 HydrophobicContact CB-CD2 3.84Å; K120-Y166 HydrophobicContact CB-CE1 4.11Å; K120-Y166 HydrophobicContact CB-CE2 3.32Å; K120-Y166 HydrophobicContact CB-CG 4.38Å; K120-Y166 VanDerWaalsContact CB-CZ 3.46Å; K120-Y166 HydrophobicContact CD-CD1 4.29Å; K120-Y166 HydrophobicContact CD-CE1 3.62Å; K120-Y166 HydrophobicContact CD-CE2 4.4Å; K120-Y166 HydrophobicContact CG-CE1 4.08Å; K120-Y166 HydrophobicContact CG-CE2 3.98Å; K120-Y166 WeakPolarHBondContact CG-OH 3.32Å; K120-Y166 PolarHBondContact N-O 3.08Å; K120-Y166 PolarHBondContact O-N 3.07Å; K120-Y166 VanDerWaalsContact O-N 3.16Å; Y146-Y166 HydrophobicContact CE2-CD2 4.14Å; Y146-Y166 HydrophobicContact CE2-CG 4.05Å; L147-Y166 CarbonylContact O-C 3.56Å; L147-Y166 WeakPolarHBondContact O-CA 3.25Å; L147-Y166 VanDerWaalsContact O-CB 3.32Å; L147-Y166 WeakPolarHBondContact O-CB 3.34Å; Y166-E193 PolarHBondContact OH-OE1 3.28Å; Y166-L197 HydrophobicContact CD1-CD2 4.38Å; Y166-L197 HydrophobicContact CD2-CD2 3.79Å; Y166-L197 HydrophobicContact CE1-CD2 3.79Å; Y166-L197 HydrophobicContact CE2-CD2 3.12Å; Y166-L197 HydrophobicContact CG-CD2 4.39Å; Y166-L197 WeakPolarHBondContact OH-CD2 3.36Å
167	V	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.3	-173.4	-173.5	0	0	0	0	110	W117 F118 L119 L132 L136 Y146 L147 F220	W117-V167 HydrophobicContact CB-CG1 4.12Å; W117-V167 HydrophobicContact CE3-CG1 4.03Å; F118-V167 WeakPolarHBondContact O-CA 3.5Å; L119-V167 HydrophobicContact CB-CG2 4.23Å; L119-V167 HydrophobicContact CD1-CG2 3.54Å; L119-V167 HydrophobicContact CG-CG2 4.47Å; L132-V167 HydrophobicContact CD1-CG2 3.83Å; L132-V167 HydrophobicContact CD2-CG2 4.04Å; L136-V167 HydrophobicContact CD2-CG1 4.26Å; Y146-V167 WeakPolarHBondContact CA-O 3.32Å; L147-V167 HydrophobicContact CB-CB 4.37Å; L147-V167 PolarHBondContact N-O 2.93Å; L147-V167 PolarHBondContact O-N 2.96Å; V167-F220 HydrophobicContact CG2-CE1 4.43Å; V167-F220 HydrophobicContact CG2-CZ 4.42Å
168	L	98.9	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.2	169.8	-55	-178.5	0	0	0	109.2	F104 F118 Y146 A172 L201	F104-L168 HydrophobicContact CE1-CD1 4.04Å; F104-L168 HydrophobicContact CE2-CD1 4.22Å; F104-L168 HydrophobicContact CZ-CD1 3.87Å; F104-L168 HydrophobicContact CZ-CG 4.47Å; F118-L168 PolarHBondContact N-O 2.91Å; F118-L168 PolarHBondContact O-N 2.9Å; Y146-L168 HydrophobicContact CD2-CD2 3.44Å; Y146-L168 VanDerWaalsContact CD2-CD2 3.44Å; Y146-L168 HydrophobicContact CE2-CD2 4.05Å; Y146-L168 HydrophobicContact CG-CD2 4.03Å; L168-A172 HydrophobicContact CB-CB 4.25Å; L168-A172 HydrophobicContact CD2-CB 4.45Å; L168-L201 HydrophobicContact CD2-CD1 3.68Å; L168-L201 HydrophobicContact CD2-CD2 4.04Å
169	S	98.8	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	158.4	158.7	50.9	0	0	0	0	111	S141 D143 V145 N171 A172 L173	S141-S169 WeakPolarHBondContact O-CB 3.22Å; D143-S169 VanDerWaalsContact O-CB 3.26Å; D143-S169 WeakPolarHBondContact O-CB 3.33Å; D143-S169 PolarHBondContact O-OG 3.44Å; V145-S169 PolarHBondContact N-OG 3.36Å; V145-S169 PolarHBondContact O-N 3.46Å; V145-S169 PolarHBondContact O-OG 3.01Å; S169-N171 VanDerWaalsContact C-N 3.26Å; S169-N171 PolarHBondContact O-N 3.02Å; S169-A172 PolarHBondContact O-N 3.22Å; S169-A172 WeakPolarHBondContact OG-CB 3.46Å; S169-A172 PolarHBondContact OG-N 3.34Å; S169-A172 VanDerWaalsContact OG-N 3.08Å; S169-L173 PolarHBondContact O-N 3.03Å
170	R	98.8	Very high	98.6	Very high	38 Å²	38	16.1 Å²	16.1	14%	0.143	8%	0.078	C	C	.	.	H	α-helix	trans	-50.5	-46.9	169.3	-170.6	-169.1	-59	-133.9	0.7	111.9	R41 L112 N113 Y115 D116 F118 S141 L173 I174	R41-R170 VanDerWaalsContact NH2-NH2 3.11Å; L112-R170 HydrophobicContact CD1-CG 3.68Å; L112-R170 HydrophobicContact CG-CG 4.2Å; L112-R170 PolarHBondContact O-NH1 3.45Å; N113-R170 PolarHBondContact O-NH1 2.82Å; N113-R170 VanDerWaalsContact O-NH1 3.13Å; Y115-R170 PolarHBondContact O-NE 2.88Å; Y115-R170 VanDerWaalsContact O-NE 3.13Å; Y115-R170 PolarHBondContact O-NH2 2.85Å; D116-R170 PolarHBondContact O-N 2.83Å; D116-R170 IonicContact OD1-CZ 3.61Å; D116-R170 IonicContact OD1-NH2 2.91Å; D116-R170 PolarHBondContact OD1-NH2 2.75Å; F118-R170 HydrophobicContact CE2-CB 4.17Å; F118-R170 HydrophobicContact CE2-CG 4.33Å; S141-R170 PolarHBondContact O-N 3.2Å; R170-L173 PolarHBondContact O-N 3.44Å; R170-I174 HydrophobicContact CG-CD1 4.21Å; R170-I174 WeakPolarHBondContact O-CG1 3.5Å; R170-I174 PolarHBondContact O-N 3.25Å
171	N	98.7	Very high	98.6	Very high	43 Å²	43	16.4 Å²	16.4	23%	0.23	8%	0.079	C	C	.	.	H	α-helix	trans	-67.1	-40.1	-179.9	-169.4	50.3	0	0	0	113.1	S141 N142 S144 S169 L173 I174 Q175	S141-N171 PolarHBondContact O-N 3.27Å; S141-N171 VanDerWaalsContact O-N 3.07Å; N142-N171 WeakPolarHBondContact O-CB 3.1Å; N142-N171 VanDerWaalsContact O-CG 3.26Å; N142-N171 PolarHBondContact O-ND2 3.08Å; S144-N171 PolarHBondContact OG-ND2 2.88Å; S169-N171 VanDerWaalsContact C-N 3.26Å; S169-N171 PolarHBondContact O-N 3.02Å; N171-L173 VanDerWaalsContact C-N 3.31Å; N171-L173 PolarHBondContact O-N 2.98Å; N171-I174 WeakPolarHBondContact O-CB 3.03Å; N171-I174 PolarHBondContact O-N 2.97Å; N171-Q175 VanDerWaalsContact O-CG 3.31Å; N171-Q175 WeakPolarHBondContact O-CG 3.28Å; N171-Q175 PolarHBondContact O-N 3.15Å
172	A	98.9	Very high	98.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-39.1	174.3	0	0	0	0	0	112.4	V145 L168 S169 Q175 V176 V206	V145-A172 WeakPolarHBondContact O-CB 3.45Å; L168-A172 HydrophobicContact CB-CB 4.25Å; L168-A172 HydrophobicContact CD2-CB 4.45Å; S169-A172 PolarHBondContact O-N 3.22Å; S169-A172 WeakPolarHBondContact OG-CB 3.46Å; S169-A172 PolarHBondContact OG-N 3.34Å; S169-A172 VanDerWaalsContact OG-N 3.08Å; A172-Q175 PolarHBondContact O-N 2.81Å; A172-V176 PolarHBondContact O-N 3.12Å; A172-V206 HydrophobicContact CB-CG1 3.93Å; A172-V206 HydrophobicContact CB-CG2 4.08Å
173	L	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-44.1	174.7	178.9	59.4	0	0	0	111.8	F104 I107 L112 F118 S169 R170 N171 V176 V177	F104-L173 HydrophobicContact CB-CD1 3.78Å; F104-L173 HydrophobicContact CD1-CD1 3.5Å; F104-L173 HydrophobicContact CE1-CD1 4.35Å; F104-L173 HydrophobicContact CG-CD1 3.88Å; I107-L173 HydrophobicContact CG2-CD2 3.9Å; L112-L173 HydrophobicContact CD1-CD2 4.02Å; L112-L173 HydrophobicContact CD1-CG 4.37Å; F118-L173 HydrophobicContact CB-CD2 4.39Å; F118-L173 HydrophobicContact CD1-CD2 3.9Å; F118-L173 HydrophobicContact CD2-CB 4.19Å; F118-L173 HydrophobicContact CD2-CD2 3.55Å; F118-L173 HydrophobicContact CE1-CD2 4.07Å; F118-L173 HydrophobicContact CE2-CD2 3.76Å; F118-L173 HydrophobicContact CG-CD2 3.64Å; F118-L173 HydrophobicContact CZ-CD2 4.02Å; S169-L173 PolarHBondContact O-N 3.03Å; R170-L173 PolarHBondContact O-N 3.44Å; N171-L173 VanDerWaalsContact C-N 3.31Å; N171-L173 PolarHBondContact O-N 2.98Å; L173-V176 HydrophobicContact CD1-CG1 4.45Å; L173-V176 WeakPolarHBondContact O-CG1 3.33Å; L173-V177 HydrophobicContact CD1-CG2 3.79Å; L173-V177 HydrophobicContact CG-CG2 4.44Å; L173-V177 WeakPolarHBondContact O-CB 3.42Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.37Å; L173-V177 PolarHBondContact O-N 3.35Å; L173-V177 VanDerWaalsContact O-N 3.1Å
174	I	98.9	Very high	98.6	Very high	39 Å²	39	32.9 Å²	32.9	20%	0.2	15%	0.154	C	C	.	.	H	α-helix	trans	-55.8	-54.6	174.4	-69	164	0	0	0	109.9	Y108 L112 R170 N171 V176 V177 E178	Y108-I174 HydrophobicContact CE2-CB 4.38Å; Y108-I174 HydrophobicContact CE2-CG1 4.04Å; L112-I174 HydrophobicContact CD1-CD1 4.4Å; L112-I174 HydrophobicContact CD1-CG1 3.87Å; L112-I174 HydrophobicContact CD2-CD1 4.13Å; L112-I174 HydrophobicContact CD2-CG1 3.75Å; L112-I174 HydrophobicContact CG-CG1 4.36Å; R170-I174 HydrophobicContact CG-CD1 4.21Å; R170-I174 WeakPolarHBondContact O-CG1 3.5Å; R170-I174 PolarHBondContact O-N 3.25Å; N171-I174 WeakPolarHBondContact O-CB 3.03Å; N171-I174 PolarHBondContact O-N 2.97Å; I174-V176 PolarHBondContact O-N 2.89Å; I174-V177 PolarHBondContact O-N 2.88Å; I174-E178 HydrophobicContact CG2-CG 4.28Å; I174-E178 WeakPolarHBondContact O-CB 3.49Å; I174-E178 WeakPolarHBondContact O-CG 3.25Å; I174-E178 PolarHBondContact O-N 2.78Å
175	Q	98.8	Very high	98.5	Very high	29 Å²	29	36.7 Å²	36.7	14%	0.136	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-45.7	-175.1	-70.9	172.8	-47	0	0	112.4	S144 N171 A172 K179 A204 V206	S144-Q175 VanDerWaalsContact OG-CD 3.24Å; S144-Q175 PolarHBondContact OG-NE2 3.48Å; S144-Q175 VanDerWaalsContact OG-NE2 3.16Å; S144-Q175 PolarHBondContact OG-OE1 3.03Å; N171-Q175 VanDerWaalsContact O-CG 3.31Å; N171-Q175 WeakPolarHBondContact O-CG 3.28Å; N171-Q175 PolarHBondContact O-N 3.15Å; A172-Q175 PolarHBondContact O-N 2.81Å; Q175-K179 HydrophobicContact CB-CD 4.48Å; Q175-K179 WeakPolarHBondContact O-CB 3.06Å; Q175-K179 WeakPolarHBondContact O-CG 3.44Å; Q175-K179 PolarHBondContact O-N 2.58Å; Q175-A204 HydrophobicContact CB-CB 4.15Å; Q175-V206 HydrophobicContact CB-CG2 4.14Å
176	V	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-36.6	-178.6	77.2	0	0	0	0	112.2	A172 L173 I174 V180 F181 A200 L201 A204	A172-V176 PolarHBondContact O-N 3.12Å; L173-V176 HydrophobicContact CD1-CG1 4.45Å; L173-V176 WeakPolarHBondContact O-CG1 3.33Å; I174-V176 PolarHBondContact O-N 2.89Å; V176-V180 HydrophobicContact CG2-CB 4.47Å; V176-V180 WeakPolarHBondContact O-CA 3.47Å; V176-V180 VanDerWaalsContact O-CB 3.28Å; V176-V180 WeakPolarHBondContact O-CB 3.35Å; V176-V180 PolarHBondContact O-N 3.2Å; V176-V180 VanDerWaalsContact O-N 3.14Å; V176-F181 HydrophobicContact CB-CZ 4.45Å; V176-F181 HydrophobicContact CG1-CE2 3.97Å; V176-F181 HydrophobicContact CG1-CZ 3.99Å; V176-F181 HydrophobicContact CG2-CD1 4.34Å; V176-F181 HydrophobicContact CG2-CE1 3.64Å; V176-F181 HydrophobicContact CG2-CE2 4.39Å; V176-F181 HydrophobicContact CG2-CZ 3.67Å; V176-F181 PolarHBondContact O-N 3.33Å; V176-A200 HydrophobicContact CG2-CB 3.83Å; V176-L201 HydrophobicContact CB-CD2 3.81Å; V176-L201 HydrophobicContact CG1-CD2 4.25Å; V176-L201 HydrophobicContact CG2-CD2 4.06Å; V176-L201 HydrophobicContact CG2-CG 4.22Å; V176-A204 HydrophobicContact CB-CB 4.21Å; V176-A204 HydrophobicContact CG2-CB 4.44Å
177	V	98.8	Very high	98.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	19%	0.189	C	C	.	.	I	π-helix	trans	-69.4	-52.2	178.8	173.4	0	0	0	0	110.8	Y108 L173 I174 F181 Q182	Y108-V177 HydrophobicContact CD1-CG1 3.67Å; Y108-V177 HydrophobicContact CD2-CB 3.96Å; Y108-V177 HydrophobicContact CD2-CG1 4.02Å; Y108-V177 HydrophobicContact CD2-CG2 4.14Å; Y108-V177 HydrophobicContact CE1-CG1 4.06Å; Y108-V177 HydrophobicContact CE2-CB 4.39Å; Y108-V177 HydrophobicContact CE2-CG1 4.38Å; Y108-V177 HydrophobicContact CG-CB 4.04Å; Y108-V177 HydrophobicContact CG-CG1 3.67Å; Y108-V177 HydrophobicContact CG-CG2 4.06Å; L173-V177 HydrophobicContact CD1-CG2 3.79Å; L173-V177 HydrophobicContact CG-CG2 4.44Å; L173-V177 WeakPolarHBondContact O-CB 3.42Å; L173-V177 VanDerWaalsContact O-CG2 3.23Å; L173-V177 WeakPolarHBondContact O-CG2 3.37Å; L173-V177 PolarHBondContact O-N 3.35Å; L173-V177 VanDerWaalsContact O-N 3.1Å; I174-V177 PolarHBondContact O-N 2.88Å; V177-F181 HydrophobicContact CB-CD2 4.37Å; V177-F181 HydrophobicContact CG2-CD2 3.74Å; V177-F181 HydrophobicContact CG2-CE2 4.17Å; V177-F181 PolarHBondContact O-N 3.09Å; V177-Q182 HydrophobicContact CG1-CG 4.06Å; V177-Q182 WeakPolarHBondContact O-CB 3.39Å; V177-Q182 WeakPolarHBondContact O-CG 3.26Å; V177-Q182 PolarHBondContact O-N 3.19Å
178	E	98.7	Very high	97.9	Very high	83 Å²	83	46.4 Å²	46.4	39%	0.388	23%	0.227	S	C	.	.	I	π-helix	trans	-71.4	-40	-175	-66	-176.1	161.4	0	0	112.9	Y108 I174	Y108-E178 HydrophobicContact CE2-CG 4.4Å; Y108-E178 PolarHBondContact OH-OE1 3.37Å; I174-E178 HydrophobicContact CG2-CG 4.28Å; I174-E178 WeakPolarHBondContact O-CB 3.49Å; I174-E178 WeakPolarHBondContact O-CG 3.25Å; I174-E178 PolarHBondContact O-N 2.78Å
179	K	98.6	Very high	97.7	Very high	87 Å²	87	50.1 Å²	50.1	38%	0.378	25%	0.245	S	C	.	.	I	π-helix	trans	-86.5	-24.4	-174.9	-59.1	178.3	-178.7	179	0	113.4	Q175 K183 A204	Q175-K179 HydrophobicContact CB-CD 4.48Å; Q175-K179 WeakPolarHBondContact O-CB 3.06Å; Q175-K179 WeakPolarHBondContact O-CG 3.44Å; Q175-K179 PolarHBondContact O-N 2.58Å; K179-K183 WeakPolarHBondContact O-CD 3.27Å; K179-A204 HydrophobicContact CB-CB 4.43Å; K179-A204 HydrophobicContact CD-CB 4.41Å; K179-A204 VanDerWaalsContact CD-O 3.3Å; K179-A204 WeakPolarHBondContact CD-O 3.2Å; K179-A204 PolarHBondContact NZ-O 3.16Å
180	V	98.6	Very high	97.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.279	C	S	.	.	I	π-helix	trans	-123.1	-59.7	-172.4	-173	0	0	0	0	111.4	V176 K183 N184 M185 A200 L203 A204	V176-V180 HydrophobicContact CG2-CB 4.47Å; V176-V180 WeakPolarHBondContact O-CA 3.47Å; V176-V180 VanDerWaalsContact O-CB 3.28Å; V176-V180 WeakPolarHBondContact O-CB 3.35Å; V176-V180 PolarHBondContact O-N 3.2Å; V176-V180 VanDerWaalsContact O-N 3.14Å; V180-K183 CarbonylContact O-C 3.49Å; V180-K183 PolarHBondContact O-N 3.33Å; V180-N184 PolarHBondContact O-N 3.19Å; V180-M185 HydrophobicContact CB-CB 4.44Å; V180-M185 HydrophobicContact CG1-CB 3.58Å; V180-M185 HydrophobicContact CG1-SD 4.5Å; V180-M185 PolarHBondContact O-N 3.32Å; V180-M185 VanDerWaalsContact O-N 3.08Å; V180-A200 HydrophobicContact CG1-CB 4.02Å; V180-A200 WeakPolarHBondContact CG2-O 3.4Å; V180-L203 HydrophobicContact CG2-CB 3.93Å; V180-A204 HydrophobicContact CG2-CB 4.02Å
181	F	98.4	Very high	97.2	Very high	6 Å²	6	55 Å²	55	3%	0.026	28%	0.284	C	S	.	.	I	π-helix	trans	-68.4	-45.5	-170.5	-58.5	-11.1	0	0	0	113	W97 M101 F104 V176 V177 K183 N184 L197 A200	W97-F181 AromaticContact CH2-CE1 3.66Å; W97-F181 HydrophobicContact CH2-CE1 3.66Å; W97-F181 HydrophobicContact CH2-CZ 4.1Å; W97-F181 HydrophobicContact CZ2-CE1 4.21Å; M101-F181 HydrophobicContact CE-CB 4.21Å; M101-F181 HydrophobicContact CE-CD1 3.84Å; M101-F181 HydrophobicContact CE-CG 4.18Å; M101-F181 HydrophobicContact CG-CD1 4.24Å; M101-F181 HydrophobicContact CG-CE1 4.17Å; M101-F181 HydrophobicContact CG-CZ 4.44Å; F104-F181 HydrophobicContact CB-CE2 3.9Å; V176-F181 HydrophobicContact CB-CZ 4.45Å; V176-F181 HydrophobicContact CG1-CE2 3.97Å; V176-F181 HydrophobicContact CG1-CZ 3.99Å; V176-F181 HydrophobicContact CG2-CD1 4.34Å; V176-F181 HydrophobicContact CG2-CE1 3.64Å; V176-F181 HydrophobicContact CG2-CE2 4.39Å; V176-F181 HydrophobicContact CG2-CZ 3.67Å; V176-F181 PolarHBondContact O-N 3.33Å; V177-F181 HydrophobicContact CB-CD2 4.37Å; V177-F181 HydrophobicContact CG2-CD2 3.74Å; V177-F181 HydrophobicContact CG2-CE2 4.17Å; V177-F181 PolarHBondContact O-N 3.09Å; F181-K183 PolarHBondContact O-N 3.13Å; F181-N184 WeakPolarHBondContact O-CA 3.35Å; F181-N184 PolarHBondContact O-N 2.84Å; F181-L197 HydrophobicContact CZ-CD1 4.25Å; F181-A200 HydrophobicContact CE1-CB 4.01Å
182	Q	98.2	Very high	97.1	Very high	116 Å²	116	56.5 Å²	56.5	54%	0.542	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.8	177.6	-72.5	177.9	-1.1	0	0	112.5	V177 N184	V177-Q182 HydrophobicContact CG1-CG 4.06Å; V177-Q182 WeakPolarHBondContact O-CB 3.39Å; V177-Q182 WeakPolarHBondContact O-CG 3.26Å; V177-Q182 PolarHBondContact O-N 3.19Å; Q182-N184 PolarHBondContact O-N 3.02Å
183	K	98	Very high	97.1	Very high	133 Å²	133	57 Å²	57	58%	0.578	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	6.5	173.6	-56.2	-169.4	-173	176.8	0	112.9	K179 V180 F181 M185	K179-K183 WeakPolarHBondContact O-CD 3.27Å; V180-K183 CarbonylContact O-C 3.49Å; V180-K183 PolarHBondContact O-N 3.33Å; F181-K183 PolarHBondContact O-N 3.13Å; K183-M185 HydrophobicContact CB-CE 4.08Å; K183-M185 HydrophobicContact CB-CG 4.09Å; K183-M185 HydrophobicContact CB-SD 4.47Å; K183-M185 HydrophobicContact CD-CE 3.81Å; K183-M185 PolarHBondContact O-N 2.82Å
184	N	96.3	Very high	97	Very high	113 Å²	113	58.3 Å²	58.3	60%	0.604	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	22.1	-176.9	-63.5	-54.7	0	0	0	114.5	V180 F181 Q182 S187	V180-N184 PolarHBondContact O-N 3.19Å; F181-N184 WeakPolarHBondContact O-CA 3.35Å; F181-N184 PolarHBondContact O-N 2.84Å; Q182-N184 PolarHBondContact O-N 3.02Å; N184-S187 VanDerWaalsContact O-CB 3.31Å; N184-S187 WeakPolarHBondContact O-CB 3.35Å; N184-S187 PolarHBondContact O-N 2.61Å; N184-S187 PolarHBondContact O-OG 2.72Å
185	M	97.3	Very high	97	Very high	81 Å²	81	57.8 Å²	57.8	40%	0.399	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	137.7	174.8	-66.8	178.4	-177.3	0	0	109.4	V180 K183 S187	V180-M185 HydrophobicContact CB-CB 4.44Å; V180-M185 HydrophobicContact CG1-CB 3.58Å; V180-M185 HydrophobicContact CG1-SD 4.5Å; V180-M185 PolarHBondContact O-N 3.32Å; V180-M185 VanDerWaalsContact O-N 3.08Å; K183-M185 HydrophobicContact CB-CE 4.08Å; K183-M185 HydrophobicContact CB-CG 4.09Å; K183-M185 HydrophobicContact CB-SD 4.47Å; K183-M185 HydrophobicContact CD-CE 3.81Å; K183-M185 PolarHBondContact O-N 2.82Å; M185-S187 PolarHBondContact O-N 2.99Å; M185-S187 VanDerWaalsContact O-N 3.13Å
186	L	96.4	Very high	96.9	Very high	21 Å²	21	57 Å²	57	11%	0.11	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	9.2	-177.4	-48	175.1	0	0	0	115.2	W97 N188 E189 K199 A200 L203	W97-L186 HydrophobicContact CZ2-CB 4Å; W97-L186 HydrophobicContact CZ2-CD1 4.45Å; W97-L186 PolarHBondContact NE1-O 2.93Å; L186-N188 VanDerWaalsContact C-N 3.28Å; L186-N188 PolarHBondContact O-N 2.89Å; L186-E189 HydrophobicContact CB-CB 4.37Å; L186-E189 HydrophobicContact CB-CG 3.88Å; L186-E189 HydrophobicContact CD2-CG 3.74Å; L186-E189 HydrophobicContact CG-CG 4.42Å; L186-E189 WeakPolarHBondContact O-CB 3.38Å; L186-E189 PolarHBondContact O-N 3.07Å; L186-E189 VanDerWaalsContact O-N 3.17Å; L186-K199 HydrophobicContact CD1-CB 4.24Å; L186-K199 HydrophobicContact CD1-CD 4.11Å; L186-K199 HydrophobicContact CD1-CG 4.04Å; L186-K199 HydrophobicContact CD2-CD 3.84Å; L186-K199 HydrophobicContact CD2-CG 4.49Å; L186-A200 HydrophobicContact CD1-CB 3.89Å; L186-L203 HydrophobicContact CD1-CD1 4.06Å; L186-L203 HydrophobicContact CD2-CD1 4.45Å; L186-L203 HydrophobicContact CG-CD1 4.3Å
187	S	94.2	Very high	96.9	Very high	31 Å²	31	57 Å²	57	22%	0.217	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.8	-175.5	55.4	0	0	0	0	114.8	N184 M185	N184-S187 VanDerWaalsContact O-CB 3.31Å; N184-S187 WeakPolarHBondContact O-CB 3.35Å; N184-S187 PolarHBondContact O-N 2.61Å; N184-S187 PolarHBondContact O-OG 2.72Å; M185-S187 PolarHBondContact O-N 2.99Å; M185-S187 VanDerWaalsContact O-N 3.13Å
188	N	93.1	Very high	96.9	Very high	151 Å²	151	57 Å²	57	81%	0.807	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	2.4	178.7	-64.1	-34.3	0	0	0	113.4	L186	L186-N188 VanDerWaalsContact C-N 3.28Å; L186-N188 PolarHBondContact O-N 2.89Å
189	E	94.6	Very high	96.9	Very high	79 Å²	79	56.8 Å²	56.8	37%	0.369	30%	0.297	S	S	.	.			trans	-69.5	141.6	178.9	-68.4	-89.1	-152.4	0	0	110.5	L186 L196 K199	L186-E189 HydrophobicContact CB-CB 4.37Å; L186-E189 HydrophobicContact CB-CG 3.88Å; L186-E189 HydrophobicContact CD2-CG 3.74Å; L186-E189 HydrophobicContact CG-CG 4.42Å; L186-E189 WeakPolarHBondContact O-CB 3.38Å; L186-E189 PolarHBondContact O-N 3.07Å; L186-E189 VanDerWaalsContact O-N 3.17Å; E189-L196 HydrophobicContact CB-CD1 4.09Å; E189-L196 HydrophobicContact CB-CD2 3.91Å; E189-K199 IonicContact OE1-NZ 2.85Å; E189-K199 PolarHBondContact OE1-NZ 2.76Å
190	V	93.1	Very high	96.9	Very high	116 Å²	116	52.7 Å²	52.7	70%	0.703	28%	0.279	S	S	*	.			trans	-117.2	123.4	177.3	-178.7	0	0	0	0	108.3
191	G	94.6	Very high	96.9	Very high	24 Å²	24	52.7 Å²	52.7	25%	0.247	28%	0.279	C	S	.	.	S	Bend	trans	172.5	-178.7	-179.2	0	0	0	0	0	112.3	E193	G191-E193 PolarHBondContact O-N 3.13Å
192	P	96.1	Very high	96.9	Very high	75 Å²	75	57.4 Å²	57.4	49%	0.487	30%	0.3	S	S	.	.			trans	-55.7	129.4	172.9	-22.4	33.7	0	0	0	110.7	D194 L195 L196	P192-D194 VanDerWaalsContact C-N 3.27Å; P192-D194 VanDerWaalsContact CB-OD1 3.27Å; P192-D194 WeakPolarHBondContact CB-OD1 3.47Å; P192-D194 PolarHBondContact O-N 3.39Å; P192-L195 HydrophobicContact CB-CB 4.07Å; P192-L195 PolarHBondContact O-N 3.35Å; P192-L196 WeakPolarHBondContact O-CG 3.48Å; P192-L196 PolarHBondContact O-N 2.9Å
193	E	97.8	Very high	96.9	Very high	11 Å²	11	56.6 Å²	56.6	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-57.2	-41.4	-174.9	175.7	-88.7	142.5	0	0	112.8	L96 T100 K120 Y166 G191 L196 L197	L96-E193 HydrophobicContact CB-CB 3.81Å; L96-E193 HydrophobicContact CB-CG 4.12Å; T100-E193 WeakPolarHBondContact CB-OE1 3.32Å; T100-E193 HydrophobicContact CG2-CG 4.47Å; T100-E193 VanDerWaalsContact CG2-OE1 3.23Å; T100-E193 WeakPolarHBondContact CG2-OE1 3.47Å; T100-E193 WeakPolarHBondContact OG1-CG 3.45Å; T100-E193 PolarHBondContact OG1-OE1 2.94Å; K120-E193 WeakPolarHBondContact CE-OE2 3.01Å; K120-E193 IonicContact NZ-OE2 2.7Å; K120-E193 PolarHBondContact NZ-OE2 3.41Å; Y166-E193 PolarHBondContact OH-OE1 3.28Å; G191-E193 PolarHBondContact O-N 3.13Å; E193-L196 PolarHBondContact O-N 2.84Å; E193-L197 WeakPolarHBondContact O-CB 3.38Å; E193-L197 PolarHBondContact O-N 3.42Å
194	D	98.1	Very high	97	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-72.1	-39.6	-177.5	57.4	-13.7	0	0	0	113	Y159 M160 G162 P192 L197 G198	Y159-D194 HydrophobicContact CD2-CB 4.16Å; Y159-D194 HydrophobicContact CE2-CB 4.45Å; M160-D194 WeakPolarHBondContact O-CB 3.3Å; G162-D194 VanDerWaalsContact N-CB 3.29Å; G162-D194 PolarHBondContact N-OD2 3.4Å; P192-D194 VanDerWaalsContact C-N 3.27Å; P192-D194 VanDerWaalsContact CB-OD1 3.27Å; P192-D194 WeakPolarHBondContact CB-OD1 3.47Å; P192-D194 PolarHBondContact O-N 3.39Å; D194-L197 PolarHBondContact O-N 3.49Å; D194-G198 PolarHBondContact O-N 2.79Å
195	L	97.7	Very high	97.1	Very high	29 Å²	29	47.4 Å²	47.4	15%	0.152	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-44.9	171.3	-178.9	62.4	0	0	0	111.4	Y153 Q157 Y159 P192 G198 K199	Y153-L195 HydrophobicContact CD2-CD1 4Å; Y153-L195 HydrophobicContact CD2-CD2 3.73Å; Y153-L195 HydrophobicContact CE2-CD2 3.76Å; Y153-L195 HydrophobicContact CG-CD1 3.98Å; Y153-L195 HydrophobicContact CG-CD2 4.17Å; Q157-L195 HydrophobicContact CB-CD1 4.24Å; Q157-L195 HydrophobicContact CG-CD1 3.69Å; Y159-L195 HydrophobicContact CD1-CD1 3.83Å; Y159-L195 HydrophobicContact CD2-CB 4.37Å; Y159-L195 HydrophobicContact CE1-CD1 3.99Å; Y159-L195 HydrophobicContact CE2-CB 4.39Å; Y159-L195 HydrophobicContact CG-CD1 4.18Å; P192-L195 HydrophobicContact CB-CB 4.07Å; P192-L195 PolarHBondContact O-N 3.35Å; L195-G198 PolarHBondContact O-N 3.23Å; L195-K199 PolarHBondContact O-N 3.13Å
196	L	98.3	Very high	97.1	Very high	13 Å²	13	43.6 Å²	43.6	7%	0.068	25%	0.25	C	C	.	.	H	α-helix	trans	-67.5	-36.8	178.7	-70.8	176.9	0	0	0	112	W97 E189 P192 E193 K199 A200	W97-L196 HydrophobicContact CB-CD1 3.81Å; W97-L196 HydrophobicContact CD2-CB 3.66Å; W97-L196 HydrophobicContact CD2-CD1 4.05Å; W97-L196 HydrophobicContact CE3-CB 3.77Å; W97-L196 HydrophobicContact CG-CB 4.05Å; W97-L196 HydrophobicContact CG-CD1 3.52Å; W97-L196 HydrophobicContact CG-CG 4.44Å; W97-L196 HydrophobicContact CH2-CB 4.49Å; W97-L196 HydrophobicContact CZ2-CB 4.4Å; W97-L196 HydrophobicContact CZ3-CB 4.21Å; E189-L196 HydrophobicContact CB-CD1 4.09Å; E189-L196 HydrophobicContact CB-CD2 3.91Å; P192-L196 WeakPolarHBondContact O-CG 3.48Å; P192-L196 PolarHBondContact O-N 2.9Å; E193-L196 PolarHBondContact O-N 2.84Å; L196-K199 PolarHBondContact O-N 2.88Å; L196-A200 WeakPolarHBondContact O-CB 3.34Å; L196-A200 PolarHBondContact O-N 3.04Å
197	L	98.8	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-43	170.8	-178.5	64.7	0	0	0	111.6	W97 F104 Y146 Y166 F181 E193 D194 K199 A200 L201	W97-L197 HydrophobicContact CZ3-CB 3.9Å; W97-L197 HydrophobicContact CZ3-CD1 4.25Å; F104-L197 HydrophobicContact CE2-CD2 4.37Å; Y146-L197 HydrophobicContact CE2-CD2 4.48Å; Y166-L197 HydrophobicContact CD1-CD2 4.38Å; Y166-L197 HydrophobicContact CD2-CD2 3.79Å; Y166-L197 HydrophobicContact CE1-CD2 3.79Å; Y166-L197 HydrophobicContact CE2-CD2 3.12Å; Y166-L197 HydrophobicContact CG-CD2 4.39Å; Y166-L197 WeakPolarHBondContact OH-CD2 3.36Å; F181-L197 HydrophobicContact CZ-CD1 4.25Å; E193-L197 WeakPolarHBondContact O-CB 3.38Å; E193-L197 PolarHBondContact O-N 3.42Å; D194-L197 PolarHBondContact O-N 3.49Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 3.29Å; L197-A200 WeakPolarHBondContact O-CB 3.37Å; L197-A200 PolarHBondContact O-N 3.42Å; L197-L201 HydrophobicContact CD1-CD1 4.03Å; L197-L201 HydrophobicContact CD1-CG 4.17Å; L197-L201 HydrophobicContact CD2-CD1 4.23Å; L197-L201 HydrophobicContact CG-CD1 3.74Å; L197-L201 HydrophobicContact CG-CG 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.4Å; L197-L201 WeakPolarHBondContact O-CG 3.49Å; L197-L201 PolarHBondContact O-N 3.35Å
198	G	98.5	Very high	97.3	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-58.6	-43	174.7	0	0	0	0	0	112.7	Q157 D194 L195 K202	Q157-G198 PolarHBondContact NE2-O 2.99Å; D194-G198 PolarHBondContact O-N 2.79Å; L195-G198 PolarHBondContact O-N 3.23Å; G198-K202 WeakPolarHBondContact O-CB 3.42Å; G198-K202 PolarHBondContact O-N 2.96Å
199	K	98.4	Very high	97.4	Very high	78 Å²	78	40.4 Å²	40.4	34%	0.339	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-45.3	173.4	-173.2	-178	178.6	-173.1	0	111.3	L186 E189 L195 L196 L197 K202 L203	L186-K199 HydrophobicContact CD1-CB 4.24Å; L186-K199 HydrophobicContact CD1-CD 4.11Å; L186-K199 HydrophobicContact CD1-CG 4.04Å; L186-K199 HydrophobicContact CD2-CD 3.84Å; L186-K199 HydrophobicContact CD2-CG 4.49Å; E189-K199 IonicContact OE1-NZ 2.85Å; E189-K199 PolarHBondContact OE1-NZ 2.76Å; L195-K199 PolarHBondContact O-N 3.13Å; L196-K199 PolarHBondContact O-N 2.88Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 3.29Å; K199-K202 PolarHBondContact O-N 2.94Å; K199-L203 WeakPolarHBondContact O-CG 3.43Å; K199-L203 PolarHBondContact O-N 3.44Å
200	A	98.8	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-47	178	0	0	0	0	0	112.2	W97 V176 V180 F181 L186 L196 L197 K202 L203 A204	W97-A200 HydrophobicContact CH2-CB 3.77Å; W97-A200 HydrophobicContact CZ2-CB 4.39Å; V176-A200 HydrophobicContact CG2-CB 3.83Å; V180-A200 HydrophobicContact CG1-CB 4.02Å; V180-A200 WeakPolarHBondContact CG2-O 3.4Å; F181-A200 HydrophobicContact CE1-CB 4.01Å; L186-A200 HydrophobicContact CD1-CB 3.89Å; L196-A200 WeakPolarHBondContact O-CB 3.34Å; L196-A200 PolarHBondContact O-N 3.04Å; L197-A200 WeakPolarHBondContact O-CB 3.37Å; L197-A200 PolarHBondContact O-N 3.42Å; A200-K202 VanDerWaalsContact C-N 3.32Å; A200-K202 PolarHBondContact O-N 3.47Å; A200-L203 PolarHBondContact O-N 2.91Å; A200-A204 PolarHBondContact O-N 2.97Å
201	L	98.8	Very high	97.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-40.5	177.9	-76.6	164.4	0	0	0	111.3	Y146 L168 V176 L197 L203 A204 G205 V206	Y146-L201 HydrophobicContact CD1-CD1 3.5Å; Y146-L201 HydrophobicContact CD2-CD1 3.79Å; Y146-L201 HydrophobicContact CE1-CD1 3.48Å; Y146-L201 VanDerWaalsContact CE1-CD1 3.48Å; Y146-L201 HydrophobicContact CE2-CD1 3.76Å; Y146-L201 HydrophobicContact CG-CD1 3.65Å; L168-L201 HydrophobicContact CD2-CD1 3.68Å; L168-L201 HydrophobicContact CD2-CD2 4.04Å; V176-L201 HydrophobicContact CB-CD2 3.81Å; V176-L201 HydrophobicContact CG1-CD2 4.25Å; V176-L201 HydrophobicContact CG2-CD2 4.06Å; V176-L201 HydrophobicContact CG2-CG 4.22Å; L197-L201 HydrophobicContact CD1-CD1 4.03Å; L197-L201 HydrophobicContact CD1-CG 4.17Å; L197-L201 HydrophobicContact CD2-CD1 4.23Å; L197-L201 HydrophobicContact CG-CD1 3.74Å; L197-L201 HydrophobicContact CG-CG 4.32Å; L197-L201 WeakPolarHBondContact O-CB 3.4Å; L197-L201 WeakPolarHBondContact O-CG 3.49Å; L197-L201 PolarHBondContact O-N 3.35Å; L201-L203 PolarHBondContact O-N 3.29Å; L201-A204 CarbonylContact O-C 3.59Å; L201-A204 WeakPolarHBondContact O-CA 3.36Å; L201-A204 WeakPolarHBondContact O-CB 3.48Å; L201-A204 PolarHBondContact O-N 3.06Å; L201-G205 PolarHBondContact O-N 3.5Å; L201-G205 VanDerWaalsContact O-N 3.15Å; L201-V206 CarbonylContact C-O 3.52Å; L201-V206 VanDerWaalsContact C-O 3.28Å; L201-V206 HydrophobicContact CB-CB 4.09Å; L201-V206 HydrophobicContact CD2-CB 3.91Å; L201-V206 HydrophobicContact CD2-CG1 4.05Å; L201-V206 HydrophobicContact CD2-CG2 4.1Å; L201-V206 PolarHBondContact O-N 3.35Å
202	K	98.4	Very high	97.4	Very high	105 Å²	105	33.3 Å²	33.3	46%	0.457	20%	0.2	S	C	.	.	H	α-helix	trans	-60.6	-44.8	174.2	-173.4	66.8	-174.3	179.1	0	112.1	G198 K199 A200 A204 G205 D207	G198-K202 WeakPolarHBondContact O-CB 3.42Å; G198-K202 PolarHBondContact O-N 2.96Å; K199-K202 PolarHBondContact O-N 2.94Å; A200-K202 VanDerWaalsContact C-N 3.32Å; A200-K202 PolarHBondContact O-N 3.47Å; K202-A204 PolarHBondContact O-N 3.04Å; K202-G205 PolarHBondContact O-N 3.27Å; K202-D207 WeakPolarHBondContact CD-OD1 3.26Å; K202-D207 WeakPolarHBondContact CE-OD1 3.48Å; K202-D207 VanDerWaalsContact NZ-CG 3.3Å; K202-D207 IonicContact NZ-OD1 2.79Å; K202-D207 PolarHBondContact NZ-OD1 3.19Å; K202-D207 IonicContact NZ-OD2 3.48Å; K202-D207 PolarHBondContact NZ-OD2 3.04Å
203	L	98.5	Very high	97.3	Very high	99 Å²	99	30.1 Å²	30.1	52%	0.518	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-29.7	174.6	-70.4	173.4	0	0	0	112.6	V180 L186 K199 A200 L201 G205	V180-L203 HydrophobicContact CG2-CB 3.93Å; L186-L203 HydrophobicContact CD1-CD1 4.06Å; L186-L203 HydrophobicContact CD2-CD1 4.45Å; L186-L203 HydrophobicContact CG-CD1 4.3Å; K199-L203 WeakPolarHBondContact O-CG 3.43Å; K199-L203 PolarHBondContact O-N 3.44Å; A200-L203 PolarHBondContact O-N 2.91Å; L201-L203 PolarHBondContact O-N 3.29Å; L203-G205 VanDerWaalsContact C-N 3.28Å
204	A	98.6	Very high	97	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-79.2	-8.7	175.9	0	0	0	0	0	114	Q175 V176 K179 V180 A200 L201 K202 V206	Q175-A204 HydrophobicContact CB-CB 4.15Å; V176-A204 HydrophobicContact CB-CB 4.21Å; V176-A204 HydrophobicContact CG2-CB 4.44Å; K179-A204 HydrophobicContact CB-CB 4.43Å; K179-A204 HydrophobicContact CD-CB 4.41Å; K179-A204 VanDerWaalsContact CD-O 3.3Å; K179-A204 WeakPolarHBondContact CD-O 3.2Å; K179-A204 PolarHBondContact NZ-O 3.16Å; V180-A204 HydrophobicContact CG2-CB 4.02Å; A200-A204 PolarHBondContact O-N 2.97Å; L201-A204 CarbonylContact O-C 3.59Å; L201-A204 WeakPolarHBondContact O-CA 3.36Å; L201-A204 WeakPolarHBondContact O-CB 3.48Å; L201-A204 PolarHBondContact O-N 3.06Å; K202-A204 PolarHBondContact O-N 3.04Å; A204-V206 HydrophobicContact CB-CG2 4.46Å
205	G	98.3	Very high	96.8	Very high	52 Å²	52	39 Å²	39	54%	0.536	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	24.2	-174.5	0	0	0	0	0	114.1	L201 K202 L203	L201-G205 PolarHBondContact O-N 3.5Å; L201-G205 VanDerWaalsContact O-N 3.15Å; K202-G205 PolarHBondContact O-N 3.27Å; L203-G205 VanDerWaalsContact C-N 3.28Å
206	V	98.6	Very high	96.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	24%	0.236	C	C	.	.			trans	-107.8	114.8	176.2	-175.7	0	0	0	0	109.3	A172 Q175 L201 A204	A172-V206 HydrophobicContact CB-CG1 3.93Å; A172-V206 HydrophobicContact CB-CG2 4.08Å; Q175-V206 HydrophobicContact CB-CG2 4.14Å; L201-V206 CarbonylContact C-O 3.52Å; L201-V206 VanDerWaalsContact C-O 3.28Å; L201-V206 HydrophobicContact CB-CB 4.09Å; L201-V206 HydrophobicContact CD2-CB 3.91Å; L201-V206 HydrophobicContact CD2-CG1 4.05Å; L201-V206 HydrophobicContact CD2-CG2 4.1Å; L201-V206 PolarHBondContact O-N 3.35Å; A204-V206 HydrophobicContact CB-CG2 4.46Å
207	D	97.1	Very high	96.3	Very high	85 Å²	85	41.2 Å²	41.2	46%	0.455	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-92.3	148.7	175.5	-80.4	-50.5	0	0	0	112	K202 S209	K202-D207 WeakPolarHBondContact CD-OD1 3.26Å; K202-D207 WeakPolarHBondContact CE-OD1 3.48Å; K202-D207 VanDerWaalsContact NZ-CG 3.3Å; K202-D207 IonicContact NZ-OD1 2.79Å; K202-D207 PolarHBondContact NZ-OD1 3.19Å; K202-D207 IonicContact NZ-OD2 3.48Å; K202-D207 PolarHBondContact NZ-OD2 3.04Å; D207-S209 PolarHBondContact O-N 3.18Å
208	P	96.9	Very high	96.2	Very high	30 Å²	30	42.6 Å²	42.6	20%	0.195	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-56.6	128.6	173.6	-29.1	39.4	0	0	0	112.2	Y146 L158 M160	Y146-P208 HydrophobicContact CD1-CB 4.31Å; Y146-P208 HydrophobicContact CD1-CG 4.07Å; Y146-P208 HydrophobicContact CE1-CG 4.29Å; L158-P208 HydrophobicContact CB-CG 3.75Å; M160-P208 HydrophobicContact CE-CB 3.65Å
209	S	96	Very high	96.1	Very high	22 Å²	22	42.6 Å²	42.6	15%	0.154	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-88.9	153.9	174.8	-54.9	0	0	0	0	110.6	Y146 N150 M160 D207	Y146-S209 PolarHBondContact N-OG 2.66Å; Y146-S209 VanDerWaalsContact O-CB 3.3Å; Y146-S209 WeakPolarHBondContact O-CB 3.06Å; Y146-S209 PolarHBondContact O-N 3.13Å; N150-S209 PolarHBondContact ND2-O 2.61Å; N150-S209 VanDerWaalsContact ND2-O 3.09Å; M160-S209 WeakPolarHBondContact CE-O 3.4Å; D207-S209 PolarHBondContact O-N 3.18Å
210	G	92.7	Very high	96.1	Very high	34 Å²	34	39 Å²	39	35%	0.351	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-77.2	140	173.6	0	0	0	0	0	111.4	Y139 L147	Y139-G210 PolarHBondContact OH-O 3.04Å; L147-G210 WeakPolarHBondContact CD2-O 3.16Å
211	S	94.4	Very high	96.1	Very high	3 Å²	3	39 Å²	39	2%	0.021	23%	0.232	C	C	.	.			trans	-128.3	23.2	177.6	76.9	0	0	0	0	113.1	G148 R219 F220	G148-S211 PolarHBondContact O-OG 3.4Å; S211-R219 VanDerWaalsContact C-NH2 3.25Å; S211-R219 VanDerWaalsContact O-CZ 3.25Å; S211-R219 PolarHBondContact O-NE 3.33Å; S211-R219 PolarHBondContact O-NH2 3.04Å; S211-R219 VanDerWaalsContact O-NH2 3.08Å; S211-F220 WeakPolarHBondContact OG-CD2 3.4Å
212	S	94.3	Very high	96.1	Very high	33 Å²	33	39 Å²	39	23%	0.231	23%	0.232	C	C	.	.			trans	-82.1	158	174.8	-62.5	0	0	0	0	111.1	R217 R219	S212-R217 VanDerWaalsContact CA-O 3.3Å; S212-R217 WeakPolarHBondContact CA-O 3.29Å; S212-R219 PolarHBondContact O-NH2 3.2Å
213	D	93.5	Very high	96.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.043	21%	0.212	C	C	.	.			trans	-77.7	178.4	169.9	69.1	16	0	0	0	112.4	Y215 G216 R217 S256 F314	D213-Y215 PolarHBondContact O-N 3.4Å; D213-Y215 VanDerWaalsContact O-N 3.07Å; D213-Y215 WeakPolarHBondContact OD1-CA 3.2Å; D213-Y215 WeakPolarHBondContact OD1-CB 3.3Å; D213-Y215 PolarHBondContact OD1-N 2.95Å; D213-G216 WeakPolarHBondContact O-CA 3.37Å; D213-G216 PolarHBondContact O-N 2.95Å; D213-G216 PolarHBondContact OD1-N 3.45Å; D213-R217 PolarHBondContact N-O 3.42Å; D213-R217 WeakPolarHBondContact OD1-CB 3.03Å; D213-R217 PolarHBondContact OD1-N 3.16Å; D213-R217 IonicContact OD1-NE 2.88Å; D213-R217 IonicContact OD2-CZ 3.76Å; D213-R217 VanDerWaalsContact OD2-CZ 3.3Å; D213-R217 IonicContact OD2-NE 3.69Å; D213-R217 PolarHBondContact OD2-NE 3.22Å; D213-R217 IonicContact OD2-NH2 3.74Å; D213-R217 PolarHBondContact OD2-NH2 3.02Å; D213-S256 WeakPolarHBondContact OD2-CA 3.5Å; D213-S256 VanDerWaalsContact OD2-CB 3.28Å; D213-S256 WeakPolarHBondContact OD2-CB 3.39Å; D213-S256 PolarHBondContact OD2-OG 3.1Å; D213-F314 HydrophobicContact CB-CD1 4.11Å; D213-F314 HydrophobicContact CB-CE1 3.39Å; D213-F314 HydrophobicContact CB-CE2 4.42Å; D213-F314 HydrophobicContact CB-CZ 3.56Å
214	V	93.1	Very high	96	Very high	60 Å²	60	30.1 Å²	30.1	36%	0.364	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.2	178.5	65.7	0	0	0	0	113.7	G216 F314 N316	V214-G216 VanDerWaalsContact C-N 3.35Å; V214-F314 WeakPolarHBondContact CB-O 3.34Å; V214-F314 HydrophobicContact CG1-CD2 4.3Å; V214-F314 PolarHBondContact N-O 2.97Å; V214-N316 HydrophobicContact CB-CB 4.25Å; V214-N316 HydrophobicContact CG2-CB 4.11Å
215	Y	92.4	Very high	96	Very high	164 Å²	164	30.5 Å²	30.5	64%	0.643	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	5.5	176.3	-51.3	-66.4	0	0	0	112.8	D213 R217 F314	D213-Y215 PolarHBondContact O-N 3.4Å; D213-Y215 VanDerWaalsContact O-N 3.07Å; D213-Y215 WeakPolarHBondContact OD1-CA 3.2Å; D213-Y215 WeakPolarHBondContact OD1-CB 3.3Å; D213-Y215 PolarHBondContact OD1-N 2.95Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 2.81Å; Y215-F314 HydrophobicContact CE2-CE2 4.17Å
216	G	92.7	Very high	95.9	Very high	53 Å²	53	33.5 Å²	33.5	55%	0.546	19%	0.194	S	C	.	.			trans	74.7	12.8	-177.1	0	0	0	0	0	113.9	D213 V214	D213-G216 WeakPolarHBondContact O-CA 3.37Å; D213-G216 PolarHBondContact O-N 2.95Å; D213-G216 PolarHBondContact OD1-N 3.45Å; V214-G216 VanDerWaalsContact C-N 3.35Å
217	R	94.6	Very high	95.8	Very high	34 Å²	34	35 Å²	35	13%	0.128	20%	0.2	C	C	.	.			trans	-81	133.5	-178.6	-57	179.8	-62.4	175.5	-6.8	110.6	S212 D213 Y215 C255 D257	S212-R217 VanDerWaalsContact CA-O 3.3Å; S212-R217 WeakPolarHBondContact CA-O 3.29Å; D213-R217 PolarHBondContact N-O 3.42Å; D213-R217 WeakPolarHBondContact OD1-CB 3.03Å; D213-R217 PolarHBondContact OD1-N 3.16Å; D213-R217 IonicContact OD1-NE 2.88Å; D213-R217 IonicContact OD2-CZ 3.76Å; D213-R217 VanDerWaalsContact OD2-CZ 3.3Å; D213-R217 IonicContact OD2-NE 3.69Å; D213-R217 PolarHBondContact OD2-NE 3.22Å; D213-R217 IonicContact OD2-NH2 3.74Å; D213-R217 PolarHBondContact OD2-NH2 3.02Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 2.81Å; R217-C255 WeakPolarHBondContact CD-O 3.25Å; R217-C255 PolarHBondContact NH1-O 3.33Å; R217-C255 VanDerWaalsContact NH1-O 3.08Å; R217-D257 IonicContact CZ-OD1 3.19Å; R217-D257 IonicContact CZ-OD2 3.64Å; R217-D257 VanDerWaalsContact NH1-CG 3.35Å; R217-D257 IonicContact NH1-OD1 3.41Å; R217-D257 PolarHBondContact NH1-OD1 3.42Å; R217-D257 IonicContact NH1-OD2 3.3Å; R217-D257 PolarHBondContact NH1-OD2 2.89Å; R217-D257 VanDerWaalsContact NH2-CG 3.28Å; R217-D257 IonicContact NH2-OD1 2.71Å; R217-D257 IonicContact NH2-OD2 2.85Å; R217-D257 PolarHBondContact NH2-OD2 3.41Å
218	P	95.9	Very high	95.8	Very high	30 Å²	30	31 Å²	31	20%	0.195	18%	0.178	C	C	.	.			trans	-66.3	160.1	176.3	26.8	-34.7	0	0	0	112.5	F221 C254 S256	P218-F221 HydrophobicContact CB-CE1 4.21Å; P218-F221 HydrophobicContact CB-CZ 4.11Å; P218-F221 HydrophobicContact CG-CE1 3.68Å; P218-F221 HydrophobicContact CG-CZ 3.77Å; P218-F221 VanDerWaalsContact O-CZ 3.28Å; P218-F221 WeakPolarHBondContact O-CZ 3.34Å; P218-C254 WeakPolarHBondContact CD-O 3.33Å; P218-S256 PolarHBondContact O-N 3.31Å; P218-S256 VanDerWaalsContact O-N 3.15Å
219	R	97.1	Very high	95.8	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.008	19%	0.185	C	C	.	.	S	Bend	trans	-123.8	-20.2	180	-75.2	-178.1	-77.9	-166.6	-9.9	114.5	S211 S212 S256 F258 I260 S261 N315	S211-R219 VanDerWaalsContact C-NH2 3.25Å; S211-R219 VanDerWaalsContact O-CZ 3.25Å; S211-R219 PolarHBondContact O-NE 3.33Å; S211-R219 PolarHBondContact O-NH2 3.04Å; S211-R219 VanDerWaalsContact O-NH2 3.08Å; S212-R219 PolarHBondContact O-NH2 3.2Å; R219-S256 VanDerWaalsContact CG-CB 3.47Å; R219-F258 WeakPolarHBondContact CD-O 3.44Å; R219-F258 WeakPolarHBondContact CG-O 3.41Å; R219-I260 HydrophobicContact CB-CB 4.3Å; R219-I260 HydrophobicContact CB-CD1 3.9Å; R219-I260 HydrophobicContact CB-CG1 4.01Å; R219-I260 WeakPolarHBondContact O-CA 3.29Å; R219-I260 WeakPolarHBondContact O-CB 3.28Å; R219-I260 PolarHBondContact O-N 3.22Å; R219-S261 PolarHBondContact O-N 3.31Å; R219-S261 VanDerWaalsContact O-N 3.13Å; R219-N315 PolarHBondContact NH1-OD1 2.88Å
220	F	98.5	Very high	95.7	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.9	177.3	-65.7	-97.3	0	0	0	107.9	L132 L135 S149 A164 V167 S211 I260 S261	L132-F220 HydrophobicContact CD1-CZ 4.11Å; L135-F220 HydrophobicContact CD2-CE2 3.95Å; L135-F220 HydrophobicContact CD2-CZ 4.42Å; S149-F220 WeakPolarHBondContact CB-O 3.49Å; A164-F220 HydrophobicContact CB-CB 4.1Å; V167-F220 HydrophobicContact CG2-CE1 4.43Å; V167-F220 HydrophobicContact CG2-CZ 4.42Å; S211-F220 WeakPolarHBondContact OG-CD2 3.4Å; F220-I260 HydrophobicContact CD1-CB 4.43Å; F220-I260 HydrophobicContact CD1-CG2 4.05Å; F220-I260 HydrophobicContact CD2-CD1 4.35Å; F220-I260 HydrophobicContact CE1-CB 4.17Å; F220-I260 HydrophobicContact CE1-CG2 3.48Å; F220-I260 VanDerWaalsContact CE1-CG2 3.48Å; F220-I260 HydrophobicContact CE2-CB 4.36Å; F220-I260 HydrophobicContact CE2-CD1 3.54Å; F220-I260 HydrophobicContact CE2-CG2 4.4Å; F220-I260 HydrophobicContact CZ-CB 4.13Å; F220-I260 HydrophobicContact CZ-CD1 3.64Å; F220-I260 HydrophobicContact CZ-CG1 4.48Å; F220-I260 HydrophobicContact CZ-CG2 3.69Å; F220-S261 VanDerWaalsContact CD1-OG 3.25Å; F220-S261 WeakPolarHBondContact CD1-OG 3.33Å
221	F	98.3	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114	-172.4	-68.9	-80.5	0	0	0	111.9	P218 L223 H228 M248 C255 T259 S261 F262 H263	P218-F221 HydrophobicContact CB-CE1 4.21Å; P218-F221 HydrophobicContact CB-CZ 4.11Å; P218-F221 HydrophobicContact CG-CE1 3.68Å; P218-F221 HydrophobicContact CG-CZ 3.77Å; P218-F221 VanDerWaalsContact O-CZ 3.28Å; P218-F221 WeakPolarHBondContact O-CZ 3.34Å; F221-L223 PolarHBondContact O-N 3.03Å; F221-H228 HydrophobicContact CD1-CB 4.27Å; F221-H228 AromaticContact CD1-CD2 3.61Å; F221-H228 AromaticContact CD1-CE1 3.79Å; F221-H228 AromaticContact CD1-CG 3.62Å; F221-H228 AromaticContact CD1-ND1 3.76Å; F221-H228 AromaticContact CD1-NE2 3.7Å; F221-H228 AromaticContact CG-CD2 3.95Å; F221-M248 HydrophobicContact CD1-CE 4.18Å; F221-M248 HydrophobicContact CE1-CE 4.28Å; F221-C255 HydrophobicContact CE1-CB 4.25Å; F221-C255 WeakPolarHBondContact CE1-SG 3.37Å; F221-C255 HydrophobicContact CE2-CB 4.02Å; F221-C255 HydrophobicContact CZ-CB 3.51Å; F221-C255 WeakPolarHBondContact CZ-SG 3.5Å; F221-T259 HydrophobicContact CD2-CG2 3.59Å; F221-T259 HydrophobicContact CE2-CG2 3.49Å; F221-T259 VanDerWaalsContact CE2-CG2 3.49Å; F221-S261 WeakPolarHBondContact CB-O 3.35Å; F221-S261 WeakPolarHBondContact CD2-O 3.49Å; F221-S261 PolarHBondContact N-O 2.84Å; F221-F262 HydrophobicContact CB-CD1 3.37Å; F221-F262 HydrophobicContact CB-CE1 3.72Å; F221-F262 HydrophobicContact CB-CG 4.17Å; F221-F262 HydrophobicContact CD1-CE1 4.25Å; F221-F262 AromaticContact CD2-CD1 3.94Å; F221-F262 HydrophobicContact CD2-CD1 3.94Å; F221-F262 AromaticContact CD2-CE1 3.51Å; F221-F262 HydrophobicContact CD2-CE1 3.51Å; F221-F262 HydrophobicContact CD2-CE2 4.5Å; F221-F262 AromaticContact CD2-CZ 3.84Å; F221-F262 HydrophobicContact CD2-CZ 3.84Å; F221-F262 HydrophobicContact CE2-CE1 4.25Å; F221-F262 HydrophobicContact CE2-CZ 4.28Å; F221-F262 AromaticContact CG-CD1 3.77Å; F221-F262 HydrophobicContact CG-CD1 3.77Å; F221-F262 AromaticContact CG-CE1 3.53Å; F221-F262 HydrophobicContact CG-CE1 3.53Å; F221-F262 HydrophobicContact CG-CZ 4.32Å; F221-H263 PolarHBondContact O-N 2.8Å
222	P	98	Very high	95.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	24%	0.242	C	C	.	.	S	Bend	trans	-66.5	-3.9	-179.3	-25.2	35.6	0	0	0	116	S149 F151 S161 A164 W239 L240 H263	S149-P222 VanDerWaalsContact OG-CG 3.24Å; S149-P222 WeakPolarHBondContact OG-CG 3.13Å; F151-P222 HydrophobicContact CE1-CG 3.64Å; F151-P222 HydrophobicContact CE2-CG 4.36Å; F151-P222 HydrophobicContact CZ-CB 3.77Å; F151-P222 HydrophobicContact CZ-CG 3.36Å; S161-P222 WeakPolarHBondContact OG-CB 3.32Å; A164-P222 HydrophobicContact CB-CG 4.24Å; P222-W239 HydrophobicContact CB-CH2 4.08Å; P222-L240 HydrophobicContact CB-CD1 4.03Å; P222-L240 HydrophobicContact CG-CD1 3.86Å; P222-H263 WeakPolarHBondContact O-CB 3.49Å; P222-H263 PolarHBondContact O-ND1 2.83Å; P222-H263 VanDerWaalsContact O-ND1 3.13Å
223	L	98	Very high	95.6	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	27%	0.27	C	S	.	.	S	Bend	trans	-138.1	175.9	-177.5	-54.8	169.6	0	0	0	109.3	F221 F227 H228 F238 W239 L240 H263 Y264	F221-L223 PolarHBondContact O-N 3.03Å; L223-F227 HydrophobicContact CB-CB 3.96Å; L223-F227 HydrophobicContact CB-CD1 4.28Å; L223-F227 HydrophobicContact CB-CG 4.04Å; L223-F227 HydrophobicContact CD1-CB 4.32Å; L223-F227 HydrophobicContact CD1-CD1 3.39Å; L223-F227 HydrophobicContact CD1-CD2 3.58Å; L223-F227 HydrophobicContact CD1-CE1 3.44Å; L223-F227 VanDerWaalsContact CD1-CE1 3.44Å; L223-F227 HydrophobicContact CD1-CE2 3.62Å; L223-F227 HydrophobicContact CD1-CG 3.48Å; L223-F227 VanDerWaalsContact CD1-CG 3.48Å; L223-F227 HydrophobicContact CD1-CZ 3.56Å; L223-F227 HydrophobicContact CG-CD1 4.47Å; L223-F227 HydrophobicContact CG-CG 4.39Å; L223-H228 WeakPolarHBondContact CB-NE2 3.48Å; L223-F238 HydrophobicContact CD1-CE1 3.66Å; L223-F238 HydrophobicContact CD1-CZ 4.23Å; L223-W239 HydrophobicContact CD2-CH2 4.38Å; L223-W239 HydrophobicContact CD2-CZ2 3.66Å; L223-W239 HydrophobicContact CG-CZ2 4.42Å; L223-L240 HydrophobicContact CD1-CB 4.31Å; L223-L240 HydrophobicContact CD1-CD2 3.52Å; L223-L240 HydrophobicContact CD1-CG 4.38Å; L223-L240 HydrophobicContact CG-CD2 4.37Å; L223-H263 CarbonylContact C-O 3.54Å; L223-H263 PolarHBondContact O-N 3.16Å; L223-Y264 HydrophobicContact CB-CD2 4.5Å; L223-Y264 HydrophobicContact CD2-CD2 3.78Å; L223-Y264 HydrophobicContact CD2-CE2 3.49Å; L223-Y264 VanDerWaalsContact CD2-CE2 3.49Å
224	S	98.1	Very high	95.4	Very high	12 Å²	12	56.6 Å²	56.6	8%	0.084	28%	0.282	C	S	.	.			trans	-69.9	157.1	-175.5	63.8	0	0	0	0	113.9	Q226 F227 H228 H263	S224-Q226 PolarHBondContact O-N 2.98Å; S224-Q226 WeakPolarHBondContact OG-CG 3.25Å; S224-Q226 PolarHBondContact OG-NE2 3.16Å; S224-Q226 VanDerWaalsContact OG-NE2 3.08Å; S224-Q226 PolarHBondContact OG-OE1 3.29Å; S224-Q226 VanDerWaalsContact OG-OE1 3.1Å; S224-F227 WeakPolarHBondContact O-CB 3.44Å; S224-F227 PolarHBondContact O-N 3.3Å; S224-H228 PolarHBondContact O-CD2 3.43Å; S224-H228 PolarHBondContact O-N 2.78Å; S224-H263 WeakPolarHBondContact CA-O 3.46Å; S224-H263 PolarHBondContact N-O 3.31Å; S224-H263 VanDerWaalsContact N-O 3.11Å
225	P	98	Very high	95.4	Very high	9 Å²	9	58 Å²	58	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-52.9	-41.3	176.8	-24.3	32.2	0	0	0	112.3	F227 H228 L229 F262 L269 L273	P225-F227 PolarHBondContact O-N 2.83Å; P225-H228 PolarHBondContact O-N 3.12Å; P225-L229 HydrophobicContact CB-CD1 3.89Å; P225-L229 VanDerWaalsContact O-CB 3.29Å; P225-L229 WeakPolarHBondContact O-CB 3.45Å; P225-L229 VanDerWaalsContact O-CG 3.26Å; P225-L229 WeakPolarHBondContact O-CG 3.43Å; P225-L229 PolarHBondContact O-N 3.5Å; P225-F262 HydrophobicContact CB-CD1 4.27Å; P225-F262 HydrophobicContact CB-CE1 4.35Å; P225-F262 HydrophobicContact CB-CG 4.42Å; P225-F262 HydrophobicContact CG-CB 3.93Å; P225-F262 HydrophobicContact CG-CD1 3.96Å; P225-F262 HydrophobicContact CG-CD2 3.96Å; P225-F262 HydrophobicContact CG-CE1 4.48Å; P225-F262 HydrophobicContact CG-CE2 4.44Å; P225-F262 HydrophobicContact CG-CG 3.69Å; P225-L269 HydrophobicContact CG-CD2 4.3Å; P225-L273 HydrophobicContact CG-CD1 4.21Å; P225-L273 HydrophobicContact CG-CD2 4.35Å
226	Q	96.4	Very high	95.2	Very high	115 Å²	115	58.6 Å²	58.6	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-26.3	179.5	66.4	-88.5	27.8	0	0	113.7	S224 R230	S224-Q226 PolarHBondContact O-N 2.98Å; S224-Q226 WeakPolarHBondContact OG-CG 3.25Å; S224-Q226 PolarHBondContact OG-NE2 3.16Å; S224-Q226 VanDerWaalsContact OG-NE2 3.08Å; S224-Q226 PolarHBondContact OG-OE1 3.29Å; S224-Q226 VanDerWaalsContact OG-OE1 3.1Å; Q226-R230 WeakPolarHBondContact O-CB 3.31Å
227	F	96.8	Very high	95.2	Very high	32 Å²	32	63 Å²	63	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-71.1	-46.5	176.2	-176.7	-78	0	0	0	111.2	L223 S224 P225 R232 F238 L240 F241 L250	L223-F227 HydrophobicContact CB-CB 3.96Å; L223-F227 HydrophobicContact CB-CD1 4.28Å; L223-F227 HydrophobicContact CB-CG 4.04Å; L223-F227 HydrophobicContact CD1-CB 4.32Å; L223-F227 HydrophobicContact CD1-CD1 3.39Å; L223-F227 HydrophobicContact CD1-CD2 3.58Å; L223-F227 HydrophobicContact CD1-CE1 3.44Å; L223-F227 VanDerWaalsContact CD1-CE1 3.44Å; L223-F227 HydrophobicContact CD1-CE2 3.62Å; L223-F227 HydrophobicContact CD1-CG 3.48Å; L223-F227 VanDerWaalsContact CD1-CG 3.48Å; L223-F227 HydrophobicContact CD1-CZ 3.56Å; L223-F227 HydrophobicContact CG-CD1 4.47Å; L223-F227 HydrophobicContact CG-CG 4.39Å; S224-F227 WeakPolarHBondContact O-CB 3.44Å; S224-F227 PolarHBondContact O-N 3.3Å; P225-F227 PolarHBondContact O-N 2.83Å; F227-R232 PolarHBondContact O-NH2 2.76Å; F227-F238 HydrophobicContact CE2-CD1 4.05Å; F227-F238 AromaticContact CE2-CE1 3.62Å; F227-F238 HydrophobicContact CE2-CE1 3.62Å; F227-F238 AromaticContact CE2-CZ 3.96Å; F227-F238 HydrophobicContact CE2-CZ 3.96Å; F227-F238 AromaticContact CZ-CD1 3.7Å; F227-F238 HydrophobicContact CZ-CD1 3.7Å; F227-F238 AromaticContact CZ-CE1 3.59Å; F227-F238 HydrophobicContact CZ-CE1 3.59Å; F227-F238 HydrophobicContact CZ-CZ 4.38Å; F227-L240 HydrophobicContact CD1-CD2 4.39Å; F227-L240 HydrophobicContact CE1-CD2 3.7Å; F227-L240 HydrophobicContact CZ-CD2 4.28Å; F227-F241 HydrophobicContact CE1-CZ 4.43Å; F227-F241 HydrophobicContact CZ-CE2 4.35Å; F227-L250 HydrophobicContact CD1-CD2 4.15Å; F227-L250 HydrophobicContact CE1-CD2 3.93Å
228	H	96.5	Very high	95.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-83.3	-41.7	-171.4	-66.2	-67.4	0	0	0	112.9	F221 L223 S224 P225 M248 L250 G251 C254 F262	F221-H228 HydrophobicContact CD1-CB 4.27Å; F221-H228 AromaticContact CD1-CD2 3.61Å; F221-H228 AromaticContact CD1-CE1 3.79Å; F221-H228 AromaticContact CD1-CG 3.62Å; F221-H228 AromaticContact CD1-ND1 3.76Å; F221-H228 AromaticContact CD1-NE2 3.7Å; F221-H228 AromaticContact CG-CD2 3.95Å; L223-H228 WeakPolarHBondContact CB-NE2 3.48Å; S224-H228 PolarHBondContact O-CD2 3.43Å; S224-H228 PolarHBondContact O-N 2.78Å; P225-H228 PolarHBondContact O-N 3.12Å; H228-M248 VanDerWaalsContact CE1-CE 3.41Å; H228-M248 WeakPolarHBondContact CE1-CE 3.48Å; H228-L250 CarbonylContact O-C 3.56Å; H228-L250 WeakPolarHBondContact O-CA 3.27Å; H228-G251 PolarHBondContact O-N 2.93Å; H228-C254 PolarHBondContact O-SG 3.35Å; H228-F262 HydrophobicContact CB-CE1 4.49Å
229	L	96.6	Very high	95.2	Very high	62 Å²	62	67.3 Å²	67.3	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-79.1	-23.3	-171.9	-61.2	175.9	0	0	0	113.5	P225 Q231 G251 L252	P225-L229 HydrophobicContact CB-CD1 3.89Å; P225-L229 VanDerWaalsContact O-CB 3.29Å; P225-L229 WeakPolarHBondContact O-CB 3.45Å; P225-L229 VanDerWaalsContact O-CG 3.26Å; P225-L229 WeakPolarHBondContact O-CG 3.43Å; P225-L229 PolarHBondContact O-N 3.5Å; L229-Q231 PolarHBondContact O-N 3.04Å; L229-G251 CarbonylContact O-C 3.41Å; L229-G251 VanDerWaalsContact O-CA 3.27Å; L229-G251 WeakPolarHBondContact O-CA 3.44Å; L229-L252 HydrophobicContact CB-CD2 4.5Å
230	R	95	Very high	95	Very high	176 Å²	176	67.2 Å²	67.2	66%	0.664	32%	0.319	S	S	*	.	S	Bend	trans	-76.9	120.4	179.1	-175.4	178.5	178.2	-170.1	0.2	110.4	Q226 R232	Q226-R230 WeakPolarHBondContact O-CB 3.31Å; R230-R232 PolarHBondContact O-N 2.9Å
231	Q	95.2	Very high	94.8	Very high	146 Å²	146	69.3 Å²	69.3	68%	0.682	33%	0.328	S	S	*	.			trans	-63.3	121.9	173.9	-172.9	66.5	33	0	0	110.6	L229 L250	L229-Q231 PolarHBondContact O-N 3.04Å; Q231-L250 PolarHBondContact OE1-O 3.37Å
232	R	93.2	Very high	94.5	Very high	103 Å²	103	73.1 Å²	73.1	39%	0.389	36%	0.355	S	S	.	.			trans	-163.1	166.2	172.3	59.5	-176.4	170.3	164.3	1.8	110.2	F227 R230 P234 L250	F227-R232 PolarHBondContact O-NH2 2.76Å; R230-R232 PolarHBondContact O-N 2.9Å; R232-P234 WeakPolarHBondContact O-CD 3.44Å; R232-L250 HydrophobicContact CG-CD1 3.59Å
233	V	90.6	Very high	94.4	Very high	133 Å²	133	75.4 Å²	75.4	81%	0.806	37%	0.365	S	S	*	.			trans	-65.6	124.3	171	-179.3	0	0	0	0	108.8	D235	V233-D235 PolarHBondContact O-N 3.04Å
234	P	89.7	Confident	94.3	Very high	48 Å²	48	76 Å²	76	31%	0.312	37%	0.369	S	S	.	.			trans	-59.4	125.2	171.5	-26.4	37.1	0	0	0	111.4	R232 K236 F241 L250	R232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-K236 PolarHBondContact O-N 3.48Å; P234-F241 HydrophobicContact CB-CD1 4.44Å; P234-F241 HydrophobicContact CB-CE1 3.79Å; P234-F241 HydrophobicContact CB-CE2 4.05Å; P234-F241 HydrophobicContact CB-CZ 3.57Å; P234-F241 HydrophobicContact CG-CE1 4.47Å; P234-F241 HydrophobicContact CG-CZ 4.44Å; P234-L250 HydrophobicContact CB-CD1 4.42Å; P234-L250 HydrophobicContact CG-CD1 4.14Å; P234-L250 HydrophobicContact CG-CG 4.25Å
235	D	91.8	Very high	94.1	Very high	91 Å²	91	78.3 Å²	78.3	49%	0.487	38%	0.379	S	S	.	.			trans	-74.5	102.9	167.7	176.3	8.9	0	0	0	109	V233 N237 F238 F241	V233-D235 PolarHBondContact O-N 3.04Å; D235-N237 PolarHBondContact O-N 3.04Å; D235-N237 VanDerWaalsContact O-N 3.14Å; D235-N237 WeakPolarHBondContact OD1-CB 3.28Å; D235-N237 PolarHBondContact OD1-N 2.97Å; D235-F238 HydrophobicContact CB-CB 4.12Å; D235-F238 VanDerWaalsContact O-CB 3.25Å; D235-F238 WeakPolarHBondContact O-CB 3.36Å; D235-F238 PolarHBondContact O-N 2.8Å; D235-F241 WeakPolarHBondContact O-CD2 3.37Å; D235-F241 WeakPolarHBondContact O-CE2 3.33Å
236	K	88.8	Confident	93.8	Very high	175 Å²	175	83.2 Å²	83.2	76%	0.761	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.8	-177.9	-65.3	-177.5	-179.8	178.8	0	113.6	P234 F238	P234-K236 PolarHBondContact O-N 3.48Å; K236-F238 VanDerWaalsContact C-N 3.32Å
237	N	92.9	Very high	93.4	Very high	147 Å²	147	83.9 Å²	83.9	79%	0.786	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.2	177.2	-61.4	-34.3	0	0	0	112.3	D235 W239	D235-N237 PolarHBondContact O-N 3.04Å; D235-N237 VanDerWaalsContact O-N 3.14Å; D235-N237 WeakPolarHBondContact OD1-CB 3.28Å; D235-N237 PolarHBondContact OD1-N 2.97Å; N237-W239 PolarHBondContact O-N 2.9Å
238	F	94.7	Very high	93	Very high	63 Å²	63	83.5 Å²	83.5	28%	0.276	41%	0.41	S	S	.	.	S	Bend	trans	-71.3	130.7	177	-173.1	-103.4	0	0	0	110.3	L223 F227 D235 K236 L240 F241	L223-F238 HydrophobicContact CD1-CE1 3.66Å; L223-F238 HydrophobicContact CD1-CZ 4.23Å; F227-F238 HydrophobicContact CE2-CD1 4.05Å; F227-F238 AromaticContact CE2-CE1 3.62Å; F227-F238 HydrophobicContact CE2-CE1 3.62Å; F227-F238 AromaticContact CE2-CZ 3.96Å; F227-F238 HydrophobicContact CE2-CZ 3.96Å; F227-F238 AromaticContact CZ-CD1 3.7Å; F227-F238 HydrophobicContact CZ-CD1 3.7Å; F227-F238 AromaticContact CZ-CE1 3.59Å; F227-F238 HydrophobicContact CZ-CE1 3.59Å; F227-F238 HydrophobicContact CZ-CZ 4.38Å; D235-F238 HydrophobicContact CB-CB 4.12Å; D235-F238 VanDerWaalsContact O-CB 3.25Å; D235-F238 WeakPolarHBondContact O-CB 3.36Å; D235-F238 PolarHBondContact O-N 2.8Å; K236-F238 VanDerWaalsContact C-N 3.32Å; F238-L240 HydrophobicContact CD1-CB 3.69Å; F238-L240 HydrophobicContact CE1-CB 3.73Å; F238-L240 PolarHBondContact O-N 2.9Å; F238-F241 HydrophobicContact CB-CD2 4.09Å; F238-F241 HydrophobicContact CB-CE2 4.32Å; F238-F241 HydrophobicContact CD1-CD2 4.42Å; F238-F241 HydrophobicContact CD1-CE2 4.34Å; F238-F241 PolarHBondContact O-N 3.46Å
239	W	94.2	Very high	92.7	Very high	91 Å²	91	91 Å²	91	35%	0.345	44%	0.443	S	S	.	.	H	α-helix	trans	-48.2	-38	-168.9	69	-95.1	0	0	0	114.1	F151 P222 L223 N237 F241 S242 F243	F151-W239 HydrophobicContact CE2-CH2 4.32Å; F151-W239 AromaticContact CE2-CZ3 3.63Å; F151-W239 HydrophobicContact CE2-CZ3 3.63Å; F151-W239 HydrophobicContact CZ-CH2 4.18Å; F151-W239 AromaticContact CZ-CZ3 3.61Å; F151-W239 HydrophobicContact CZ-CZ3 3.61Å; P222-W239 HydrophobicContact CB-CH2 4.08Å; L223-W239 HydrophobicContact CD2-CH2 4.38Å; L223-W239 HydrophobicContact CD2-CZ2 3.66Å; L223-W239 HydrophobicContact CG-CZ2 4.42Å; N237-W239 PolarHBondContact O-N 2.9Å; W239-F241 PolarHBondContact O-N 3.34Å; W239-S242 WeakPolarHBondContact O-CB 3.42Å; W239-S242 PolarHBondContact O-N 3.42Å; W239-F243 HydrophobicContact CB-CD2 4.13Å; W239-F243 HydrophobicContact CB-CE2 4.2Å; W239-F243 AromaticContact CE3-CD2 3.88Å; W239-F243 HydrophobicContact CE3-CD2 3.88Å; W239-F243 VanDerWaalsContact O-CD2 3.24Å; W239-F243 WeakPolarHBondContact O-CD2 3.38Å; W239-F243 PolarHBondContact O-N 3.1Å
240	L	94.6	Very high	92.6	Very high	0 Å²	0	88.7 Å²	88.7	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-52.9	-42.7	-178.8	176	67	0	0	0	111.5	F151 P222 L223 F227 F238 S242 F243 S244 M248	F151-L240 HydrophobicContact CE1-CD1 3.92Å; F151-L240 HydrophobicContact CZ-CD1 3.8Å; P222-L240 HydrophobicContact CB-CD1 4.03Å; P222-L240 HydrophobicContact CG-CD1 3.86Å; L223-L240 HydrophobicContact CD1-CB 4.31Å; L223-L240 HydrophobicContact CD1-CD2 3.52Å; L223-L240 HydrophobicContact CD1-CG 4.38Å; L223-L240 HydrophobicContact CG-CD2 4.37Å; F227-L240 HydrophobicContact CD1-CD2 4.39Å; F227-L240 HydrophobicContact CE1-CD2 3.7Å; F227-L240 HydrophobicContact CZ-CD2 4.28Å; F238-L240 HydrophobicContact CD1-CB 3.69Å; F238-L240 HydrophobicContact CE1-CB 3.73Å; F238-L240 PolarHBondContact O-N 2.9Å; L240-S242 VanDerWaalsContact C-N 3.32Å; L240-S242 PolarHBondContact O-N 2.85Å; L240-F243 PolarHBondContact O-N 3.11Å; L240-S244 VanDerWaalsContact O-CB 3.29Å; L240-S244 WeakPolarHBondContact O-CB 3.15Å; L240-S244 PolarHBondContact O-N 2.74Å; L240-S244 PolarHBondContact O-OG 3.42Å; L240-M248 HydrophobicContact CD1-SD 3.74Å; L240-M248 HydrophobicContact CD2-CE 4.11Å; L240-M248 HydrophobicContact CD2-SD 3.71Å; L240-M248 HydrophobicContact CG-SD 3.71Å
241	F	93	Very high	92.6	Very high	45 Å²	45	80.4 Å²	80.4	20%	0.197	40%	0.4	C	S	.	.	H	α-helix	trans	-75	-23.4	-177.9	-58.9	-74.6	0	0	0	112.7	F227 P234 D235 F238 W239 M248 L250	F227-F241 HydrophobicContact CE1-CZ 4.43Å; F227-F241 HydrophobicContact CZ-CE2 4.35Å; P234-F241 HydrophobicContact CB-CD1 4.44Å; P234-F241 HydrophobicContact CB-CE1 3.79Å; P234-F241 HydrophobicContact CB-CE2 4.05Å; P234-F241 HydrophobicContact CB-CZ 3.57Å; P234-F241 HydrophobicContact CG-CE1 4.47Å; P234-F241 HydrophobicContact CG-CZ 4.44Å; D235-F241 WeakPolarHBondContact O-CD2 3.37Å; D235-F241 WeakPolarHBondContact O-CE2 3.33Å; F238-F241 HydrophobicContact CB-CD2 4.09Å; F238-F241 HydrophobicContact CB-CE2 4.32Å; F238-F241 HydrophobicContact CD1-CD2 4.42Å; F238-F241 HydrophobicContact CD1-CE2 4.34Å; F238-F241 PolarHBondContact O-N 3.46Å; W239-F241 PolarHBondContact O-N 3.34Å; F241-M248 HydrophobicContact CD1-CB 4.22Å; F241-M248 HydrophobicContact CE1-CB 3.97Å; F241-L250 HydrophobicContact CZ-CD1 4.38Å; F241-L250 HydrophobicContact CZ-CD2 4.43Å; F241-L250 HydrophobicContact CZ-CG 4.47Å
242	S	92.8	Very high	92.6	Very high	80 Å²	80	80.2 Å²	80.2	56%	0.559	40%	0.403	S	S	*	.	H	α-helix	trans	-78.5	-34.5	174.3	-46.3	0	0	0	0	112.6	W239 L240	W239-S242 WeakPolarHBondContact O-CB 3.42Å; W239-S242 PolarHBondContact O-N 3.42Å; L240-S242 VanDerWaalsContact C-N 3.32Å; L240-S242 PolarHBondContact O-N 2.85Å
243	F	95.4	Very high	92.6	Very high	49 Å²	49	81.9 Å²	81.9	22%	0.215	42%	0.419	C	S	.	.	H	α-helix	trans	-91.9	-21.1	-178.5	-73.1	-75.3	0	0	0	113.7	F151 R152 Y153 P154 Y159 W239 L240 Q245	F151-F243 CarbonylContact C-O 3.56Å; F151-F243 WeakPolarHBondContact CA-O 3.49Å; F151-F243 WeakPolarHBondContact CB-O 3.47Å; F151-F243 HydrophobicContact CD2-CB 4.14Å; F151-F243 HydrophobicContact CE2-CB 4.36Å; F151-F243 HydrophobicContact CG-CB 4.21Å; R152-F243 PolarHBondContact N-O 3.08Å; Y153-F243 HydrophobicContact CD2-CD1 4.25Å; Y153-F243 AromaticContact CD2-CE1 3.53Å; Y153-F243 HydrophobicContact CD2-CE1 3.53Å; Y153-F243 HydrophobicContact CD2-CZ 4.49Å; Y153-F243 AromaticContact CE2-CE1 3.75Å; Y153-F243 HydrophobicContact CE2-CE1 3.75Å; Y153-F243 HydrophobicContact CE2-CZ 4.3Å; Y153-F243 HydrophobicContact CG-CE1 4.44Å; P154-F243 HydrophobicContact CG-CE1 4.41Å; Y159-F243 WeakPolarHBondContact OH-CD1 3.44Å; W239-F243 HydrophobicContact CB-CD2 4.13Å; W239-F243 HydrophobicContact CB-CE2 4.2Å; W239-F243 AromaticContact CE3-CD2 3.88Å; W239-F243 HydrophobicContact CE3-CD2 3.88Å; W239-F243 VanDerWaalsContact O-CD2 3.24Å; W239-F243 WeakPolarHBondContact O-CD2 3.38Å; W239-F243 PolarHBondContact O-N 3.1Å; L240-F243 PolarHBondContact O-N 3.11Å; F243-Q245 PolarHBondContact O-N 3.03Å
244	S	95.3	Very high	92.7	Very high	19 Å²	19	75.7 Å²	75.7	13%	0.133	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-65.2	126.7	179.6	-64.7	0	0	0	0	111.2	L240 Y246 M248	L240-S244 VanDerWaalsContact O-CB 3.29Å; L240-S244 WeakPolarHBondContact O-CB 3.15Å; L240-S244 PolarHBondContact O-N 2.74Å; L240-S244 PolarHBondContact O-OG 3.42Å; S244-Y246 WeakPolarHBondContact CB-O 3.4Å; S244-Y246 PolarHBondContact O-N 3.41Å; S244-M248 PolarHBondContact OG-SD 2.66Å
245	Q	94.2	Very high	93	Very high	61 Å²	61	73.8 Å²	73.8	29%	0.285	37%	0.37	S	S	.	.	S	Bend	trans	-66.3	-30.7	178.4	-179	177.8	-22.6	0	0	112.1	N150 R152 F243	N150-Q245 HydrophobicContact CB-CB 3.95Å; N150-Q245 WeakPolarHBondContact O-CB 3.37Å; N150-Q245 PolarHBondContact O-N 3.15Å; R152-Q245 HydrophobicContact CB-CB 4.4Å; F243-Q245 PolarHBondContact O-N 3.03Å
246	Y	91.8	Very high	93.1	Very high	111 Å²	111	69.6 Å²	69.6	44%	0.435	35%	0.348	S	S	.	.	S	Bend	trans	-119.3	151.4	-178.8	-52.5	-67.7	0	0	0	110.8	N150 S244 M248	N150-Y246 HydrophobicContact CB-CD2 4.06Å; N150-Y246 HydrophobicContact CB-CE2 3.7Å; S244-Y246 WeakPolarHBondContact CB-O 3.4Å; S244-Y246 PolarHBondContact O-N 3.41Å; Y246-M248 PolarHBondContact O-N 3Å
247	P	88.7	Confident	93.3	Very high	130 Å²	130	66.8 Å²	66.8	84%	0.844	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-57.7	126	177.1	-24.5	34.2	0	0	0	112.2
248	M	87	Confident	93.4	Very high	24 Å²	24	61.7 Å²	61.7	12%	0.118	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-96.1	135.7	175.4	-67.9	-164.5	70	0	0	111.4	F221 H228 L240 F241 S244 Y246	F221-M248 HydrophobicContact CD1-CE 4.18Å; F221-M248 HydrophobicContact CE1-CE 4.28Å; H228-M248 VanDerWaalsContact CE1-CE 3.41Å; H228-M248 WeakPolarHBondContact CE1-CE 3.48Å; L240-M248 HydrophobicContact CD1-SD 3.74Å; L240-M248 HydrophobicContact CD2-CE 4.11Å; L240-M248 HydrophobicContact CD2-SD 3.71Å; L240-M248 HydrophobicContact CG-SD 3.71Å; F241-M248 HydrophobicContact CD1-CB 4.22Å; F241-M248 HydrophobicContact CE1-CB 3.97Å; S244-M248 PolarHBondContact OG-SD 2.66Å; Y246-M248 PolarHBondContact O-N 3Å
249	K	91.2	Very high	93.6	Very high	156 Å²	156	59.2 Å²	59.2	68%	0.678	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-102.2	155.3	171.2	-62.4	-179.7	-176.2	176	0	109.5	C254	K249-C254 WeakPolarHBondContact O-CB 3.47Å
250	L	94.5	Very high	93.8	Very high	15 Å²	15	54.9 Å²	54.9	8%	0.079	29%	0.286	C	S	.	.			trans	-112.2	159.8	170.2	-59	-179.8	0	0	0	109.6	F227 H228 Q231 R232 P234 F241	F227-L250 HydrophobicContact CD1-CD2 4.15Å; F227-L250 HydrophobicContact CE1-CD2 3.93Å; H228-L250 CarbonylContact O-C 3.56Å; H228-L250 WeakPolarHBondContact O-CA 3.27Å; Q231-L250 PolarHBondContact OE1-O 3.37Å; R232-L250 HydrophobicContact CG-CD1 3.59Å; P234-L250 HydrophobicContact CB-CD1 4.42Å; P234-L250 HydrophobicContact CG-CD1 4.14Å; P234-L250 HydrophobicContact CG-CG 4.25Å; F241-L250 HydrophobicContact CZ-CD1 4.38Å; F241-L250 HydrophobicContact CZ-CD2 4.43Å; F241-L250 HydrophobicContact CZ-CG 4.47Å
251	G	95.9	Very high	94	Very high	1 Å²	1	55 Å²	55	1%	0.01	29%	0.286	C	S	.	.	S	Bend	trans	101.5	173.8	-176.4	0	0	0	0	0	112.8	H228 L229 N253 C254	H228-G251 PolarHBondContact O-N 2.93Å; L229-G251 CarbonylContact O-C 3.41Å; L229-G251 VanDerWaalsContact O-CA 3.27Å; L229-G251 WeakPolarHBondContact O-CA 3.44Å; G251-N253 PolarHBondContact O-N 2.92Å; G251-C254 WeakPolarHBondContact O-CB 3.07Å; G251-C254 PolarHBondContact O-N 2.99Å; G251-C254 PolarHBondContact O-SG 3.4Å
252	L	94.4	Very high	94.3	Very high	142 Å²	142	53.8 Å²	53.8	74%	0.743	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-58.9	-24.8	-174.7	-64.4	175.2	0	0	0	114.3	L229	L229-L252 HydrophobicContact CB-CD2 4.5Å
253	N	92.7	Very high	94.5	Very high	138 Å²	138	50.7 Å²	50.7	74%	0.738	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-88.5	2.9	177.2	-65.5	-22.4	0	0	0	113.8	G251 C255	G251-N253 PolarHBondContact O-N 2.92Å; N253-C255 PolarHBondContact O-N 2.81Å
254	C	92.9	Very high	94.7	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.027	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59.2	-32.8	176.1	57.8	0	0	0	0	112.8	P218 H228 K249 G251	P218-C254 WeakPolarHBondContact CD-O 3.33Å; H228-C254 PolarHBondContact O-SG 3.35Å; K249-C254 WeakPolarHBondContact O-CB 3.47Å; G251-C254 WeakPolarHBondContact O-CB 3.07Å; G251-C254 PolarHBondContact O-N 2.99Å; G251-C254 PolarHBondContact O-SG 3.4Å
255	C	95.4	Very high	94.8	Very high	7 Å²	7	52.7 Å²	52.7	5%	0.047	26%	0.262	C	S	.	.	S	Bend	trans	-125.3	144.9	-147.9	-61.1	0	0	0	0	109.4	R217 F221 N253	R217-C255 WeakPolarHBondContact CD-O 3.25Å; R217-C255 PolarHBondContact NH1-O 3.33Å; R217-C255 VanDerWaalsContact NH1-O 3.08Å; F221-C255 HydrophobicContact CE1-CB 4.25Å; F221-C255 WeakPolarHBondContact CE1-SG 3.37Å; F221-C255 HydrophobicContact CE2-CB 4.02Å; F221-C255 HydrophobicContact CZ-CB 3.51Å; F221-C255 WeakPolarHBondContact CZ-SG 3.5Å; N253-C255 PolarHBondContact O-N 2.81Å
256	S	95.2	Very high	95	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.028	27%	0.272	C	S	.	.			trans	-62.8	143.7	176.1	-169.4	0	0	0	0	110.5	D213 P218 R219 F258 T259	D213-S256 WeakPolarHBondContact OD2-CA 3.5Å; D213-S256 VanDerWaalsContact OD2-CB 3.28Å; D213-S256 WeakPolarHBondContact OD2-CB 3.39Å; D213-S256 PolarHBondContact OD2-OG 3.1Å; P218-S256 PolarHBondContact O-N 3.31Å; P218-S256 VanDerWaalsContact O-N 3.15Å; R219-S256 VanDerWaalsContact CG-CB 3.47Å; S256-F258 PolarHBondContact O-N 3.02Å; S256-F258 VanDerWaalsContact O-N 3.16Å; S256-F258 PolarHBondContact OG-N 2.97Å; S256-T259 WeakPolarHBondContact O-CB 3.28Å; S256-T259 PolarHBondContact O-N 3.28Å; S256-T259 PolarHBondContact O-OG1 2.94Å
257	D	93.4	Very high	95.4	Very high	115 Å²	115	49.6 Å²	49.6	62%	0.615	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.8	172.5	-48.9	-40.9	0	0	0	111.1	R217	R217-D257 IonicContact CZ-OD1 3.19Å; R217-D257 IonicContact CZ-OD2 3.64Å; R217-D257 VanDerWaalsContact NH1-CG 3.35Å; R217-D257 IonicContact NH1-OD1 3.41Å; R217-D257 PolarHBondContact NH1-OD1 3.42Å; R217-D257 IonicContact NH1-OD2 3.3Å; R217-D257 PolarHBondContact NH1-OD2 2.89Å; R217-D257 VanDerWaalsContact NH2-CG 3.28Å; R217-D257 IonicContact NH2-OD1 2.71Å; R217-D257 IonicContact NH2-OD2 2.85Å; R217-D257 PolarHBondContact NH2-OD2 3.41Å
258	F	94.8	Very high	95.8	Very high	40 Å²	40	49.5 Å²	49.5	18%	0.175	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	50	170.4	-59.6	-86.1	0	0	0	111.2	N131 L134 R219 S256 F310 F314	N131-F258 HydrophobicContact CB-CB 4.29Å; N131-F258 WeakPolarHBondContact ND2-CA 3.38Å; L134-F258 HydrophobicContact CD2-CB 4.03Å; L134-F258 HydrophobicContact CD2-CD1 3.39Å; L134-F258 HydrophobicContact CD2-CD2 4.06Å; L134-F258 HydrophobicContact CD2-CE1 3.78Å; L134-F258 HydrophobicContact CD2-CE2 4.39Å; L134-F258 HydrophobicContact CD2-CG 3.53Å; L134-F258 HydrophobicContact CD2-CZ 4.26Å; R219-F258 WeakPolarHBondContact CD-O 3.44Å; R219-F258 WeakPolarHBondContact CG-O 3.41Å; S256-F258 PolarHBondContact O-N 3.02Å; S256-F258 VanDerWaalsContact O-N 3.16Å; S256-F258 PolarHBondContact OG-N 2.97Å; F258-F310 HydrophobicContact CE1-CE1 4.21Å; F258-F310 AromaticContact CE2-CE1 3.77Å; F258-F310 HydrophobicContact CE2-CE1 3.77Å; F258-F310 AromaticContact CE2-CZ 3.58Å; F258-F310 HydrophobicContact CE2-CZ 3.58Å; F258-F310 AromaticContact CZ-CE1 3.55Å; F258-F310 HydrophobicContact CZ-CE1 3.55Å; F258-F310 AromaticContact CZ-CZ 3.61Å; F258-F310 HydrophobicContact CZ-CZ 3.61Å; F258-F314 HydrophobicContact CB-CE1 4.23Å; F258-F314 HydrophobicContact CD2-CD1 4.02Å; F258-F314 AromaticContact CD2-CE1 3.44Å; F258-F314 HydrophobicContact CD2-CE1 3.44Å; F258-F314 VanDerWaalsContact CD2-CE1 3.44Å; F258-F314 HydrophobicContact CD2-CE2 4.1Å; F258-F314 AromaticContact CD2-CZ 3.5Å; F258-F314 HydrophobicContact CD2-CZ 3.5Å; F258-F314 HydrophobicContact CE2-CE1 4.23Å; F258-F314 HydrophobicContact CE2-CE2 4.19Å; F258-F314 HydrophobicContact CE2-CZ 4.05Å; F258-F314 HydrophobicContact CG-CE1 4.23Å
259	T	97.5	Very high	96.4	Very high	12 Å²	12	50 Å²	50	7%	0.074	26%	0.255	C	S	.	.			trans	-57.1	138.5	172.8	-72.3	0	0	0	0	110.8	N131 F221 S256 F262	N131-T259 WeakPolarHBondContact CB-O 3.27Å; N131-T259 PolarHBondContact ND2-O 2.82Å; F221-T259 HydrophobicContact CD2-CG2 3.59Å; F221-T259 HydrophobicContact CE2-CG2 3.49Å; F221-T259 VanDerWaalsContact CE2-CG2 3.49Å; S256-T259 WeakPolarHBondContact O-CB 3.28Å; S256-T259 PolarHBondContact O-N 3.28Å; S256-T259 PolarHBondContact O-OG1 2.94Å; T259-F262 HydrophobicContact CG2-CD2 4.09Å; T259-F262 HydrophobicContact CG2-CE2 3.4Å; T259-F262 VanDerWaalsContact CG2-CE2 3.4Å; T259-F262 HydrophobicContact CG2-CZ 3.67Å
260	I	98.7	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.			trans	-99.2	-43.7	-174.6	-68.3	169.5	0	0	0	111.6	V127 I128 N131 L132 L135 R219 F220	V127-I260 CarbonylContact C-O 3.52Å; V127-I260 WeakPolarHBondContact CA-O 3.35Å; V127-I260 HydrophobicContact CG1-CG2 4.07Å; V127-I260 WeakPolarHBondContact CG1-O 3.37Å; I128-I260 PolarHBondContact N-O 3.17Å; N131-I260 HydrophobicContact CB-CG1 4.16Å; L132-I260 HydrophobicContact CB-CG1 4.45Å; L132-I260 HydrophobicContact CB-CG2 3.89Å; L132-I260 HydrophobicContact CD1-CD1 4.17Å; L132-I260 HydrophobicContact CD1-CG2 4.23Å; L135-I260 HydrophobicContact CB-CD1 3.94Å; L135-I260 HydrophobicContact CD2-CD1 3.5Å; L135-I260 VanDerWaalsContact CD2-CD1 3.5Å; L135-I260 HydrophobicContact CG-CD1 4.37Å; R219-I260 HydrophobicContact CB-CB 4.3Å; R219-I260 HydrophobicContact CB-CD1 3.9Å; R219-I260 HydrophobicContact CB-CG1 4.01Å; R219-I260 WeakPolarHBondContact O-CA 3.29Å; R219-I260 WeakPolarHBondContact O-CB 3.28Å; R219-I260 PolarHBondContact O-N 3.22Å; F220-I260 HydrophobicContact CD1-CB 4.43Å; F220-I260 HydrophobicContact CD1-CG2 4.05Å; F220-I260 HydrophobicContact CD2-CD1 4.35Å; F220-I260 HydrophobicContact CE1-CB 4.17Å; F220-I260 HydrophobicContact CE1-CG2 3.48Å; F220-I260 VanDerWaalsContact CE1-CG2 3.48Å; F220-I260 HydrophobicContact CE2-CB 4.36Å; F220-I260 HydrophobicContact CE2-CD1 3.54Å; F220-I260 HydrophobicContact CE2-CG2 4.4Å; F220-I260 HydrophobicContact CZ-CB 4.13Å; F220-I260 HydrophobicContact CZ-CD1 3.64Å; F220-I260 HydrophobicContact CZ-CG1 4.48Å; F220-I260 HydrophobicContact CZ-CG2 3.69Å
261	S	98.8	Very high	96.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.8	-173.9	62.6	0	0	0	0	114.7	Y126 A164 R219 F220 F221	Y126-S261 WeakPolarHBondContact O-CA 3.23Å; Y126-S261 WeakPolarHBondContact O-CB 3.45Å; A164-S261 VanDerWaalsContact O-CB 3.28Å; A164-S261 WeakPolarHBondContact O-CB 3.21Å; A164-S261 PolarHBondContact O-OG 2.85Å; R219-S261 PolarHBondContact O-N 3.31Å; R219-S261 VanDerWaalsContact O-N 3.13Å; F220-S261 VanDerWaalsContact CD1-OG 3.25Å; F220-S261 WeakPolarHBondContact CD1-OG 3.33Å; F221-S261 WeakPolarHBondContact CB-O 3.35Å; F221-S261 WeakPolarHBondContact CD2-O 3.49Å; F221-S261 PolarHBondContact N-O 2.84Å
262	F	98.8	Very high	97.1	Very high	19 Å²	19	49.6 Å²	49.6	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.6	167.5	-67.6	-84.4	0	0	0	110.4	T125 Y126 F221 P225 H228 T259 V265	T125-F262 CarbonylContact C-O 3.54Å; T125-F262 WeakPolarHBondContact CA-O 3.49Å; T125-F262 WeakPolarHBondContact CG2-O 3.39Å; Y126-F262 PolarHBondContact N-O 2.78Å; Y126-F262 PolarHBondContact O-N 3.11Å; F221-F262 HydrophobicContact CB-CD1 3.37Å; F221-F262 HydrophobicContact CB-CE1 3.72Å; F221-F262 HydrophobicContact CB-CG 4.17Å; F221-F262 HydrophobicContact CD1-CE1 4.25Å; F221-F262 AromaticContact CD2-CD1 3.94Å; F221-F262 HydrophobicContact CD2-CD1 3.94Å; F221-F262 AromaticContact CD2-CE1 3.51Å; F221-F262 HydrophobicContact CD2-CE1 3.51Å; F221-F262 HydrophobicContact CD2-CE2 4.5Å; F221-F262 AromaticContact CD2-CZ 3.84Å; F221-F262 HydrophobicContact CD2-CZ 3.84Å; F221-F262 HydrophobicContact CE2-CE1 4.25Å; F221-F262 HydrophobicContact CE2-CZ 4.28Å; F221-F262 AromaticContact CG-CD1 3.77Å; F221-F262 HydrophobicContact CG-CD1 3.77Å; F221-F262 AromaticContact CG-CE1 3.53Å; F221-F262 HydrophobicContact CG-CE1 3.53Å; F221-F262 HydrophobicContact CG-CZ 4.32Å; P225-F262 HydrophobicContact CB-CD1 4.27Å; P225-F262 HydrophobicContact CB-CE1 4.35Å; P225-F262 HydrophobicContact CB-CG 4.42Å; P225-F262 HydrophobicContact CG-CB 3.93Å; P225-F262 HydrophobicContact CG-CD1 3.96Å; P225-F262 HydrophobicContact CG-CD2 3.96Å; P225-F262 HydrophobicContact CG-CE1 4.48Å; P225-F262 HydrophobicContact CG-CE2 4.44Å; P225-F262 HydrophobicContact CG-CG 3.69Å; H228-F262 HydrophobicContact CB-CE1 4.49Å; T259-F262 HydrophobicContact CG2-CD2 4.09Å; T259-F262 HydrophobicContact CG2-CE2 3.4Å; T259-F262 VanDerWaalsContact CG2-CE2 3.4Å; T259-F262 HydrophobicContact CG2-CZ 3.67Å; F262-V265 HydrophobicContact CB-CG2 3.9Å; F262-V265 WeakPolarHBondContact O-CG2 3.34Å
263	H	98.7	Very high	97.3	Very high	16 Å²	16	44.1 Å²	44.1	7%	0.074	23%	0.226	C	C	.	.	S	Bend	trans	-96.6	172.9	174.5	-171.5	-141.6	0	0	0	111.6	D122 D124 G163 F221 P222 L223 S224 V265	D122-H263 IonicContact OD2-NE2 3.77Å; D124-H263 CarbonylContact O-C 3.21Å; D124-H263 IonicContact OD1-CD2 3.86Å; D124-H263 PolarHBondContact OD1-CD2 3.14Å; D124-H263 IonicContact OD1-NE2 3.24Å; D124-H263 PolarHBondContact OD1-NE2 3.42Å; G163-H263 VanDerWaalsContact O-CB 3.26Å; G163-H263 WeakPolarHBondContact O-CB 3.48Å; G163-H263 PolarHBondContact O-CD2 3.39Å; F221-H263 PolarHBondContact O-N 2.8Å; P222-H263 WeakPolarHBondContact O-CB 3.49Å; P222-H263 PolarHBondContact O-ND1 2.83Å; P222-H263 VanDerWaalsContact O-ND1 3.13Å; L223-H263 CarbonylContact C-O 3.54Å; L223-H263 PolarHBondContact O-N 3.16Å; S224-H263 WeakPolarHBondContact CA-O 3.46Å; S224-H263 PolarHBondContact N-O 3.31Å; S224-H263 VanDerWaalsContact N-O 3.11Å; H263-V265 PolarHBondContact O-N 3.09Å
264	Y	98.4	Very high	97.5	Very high	109 Å²	109	38.1 Å²	38.1	43%	0.427	19%	0.194	S	C	.	.	S	Bend	trans	53	36.5	-176.5	-59.9	-45.7	0	0	0	113.5	D124 L223 V266	D124-Y264 PolarHBondContact O-N 3.3Å; L223-Y264 HydrophobicContact CB-CD2 4.5Å; L223-Y264 HydrophobicContact CD2-CD2 3.78Å; L223-Y264 HydrophobicContact CD2-CE2 3.49Å; L223-Y264 VanDerWaalsContact CD2-CE2 3.49Å; Y264-V266 PolarHBondContact O-N 2.7Å
265	V	98.7	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.			trans	-91.7	97.6	174.2	-173.7	0	0	0	0	108.1	D124 F262 H263 L269 M270 L273	D124-V265 PolarHBondContact O-N 3.23Å; F262-V265 HydrophobicContact CB-CG2 3.9Å; F262-V265 WeakPolarHBondContact O-CG2 3.34Å; H263-V265 PolarHBondContact O-N 3.09Å; V265-L269 HydrophobicContact CG1-CB 3.89Å; V265-L269 HydrophobicContact CG1-CD2 4.16Å; V265-L269 HydrophobicContact CG1-CG 3.88Å; V265-M270 HydrophobicContact CB-CG 4.37Å; V265-M270 HydrophobicContact CG1-CB 4.29Å; V265-M270 HydrophobicContact CG1-CG 3.56Å; V265-M270 WeakPolarHBondContact O-CE 3.18Å; V265-L273 HydrophobicContact CG1-CD1 3.81Å; V265-L273 HydrophobicContact CG2-CD1 4.23Å
266	V	98.2	Very high	97.7	Very high	81 Å²	81	49.1 Å²	49.1	49%	0.491	24%	0.238	S	C	.	.			trans	-65.1	158.3	173	-64.4	0	0	0	0	111.3	Y264 D268 L269 M270	Y264-V266 PolarHBondContact O-N 2.7Å; V266-D268 PolarHBondContact O-N 2.92Å; V266-L269 HydrophobicContact CG2-CB 3.96Å; V266-L269 CarbonylContact O-C 3.42Å; V266-L269 WeakPolarHBondContact O-CA 3.5Å; V266-L269 WeakPolarHBondContact O-CB 3.48Å; V266-L269 PolarHBondContact O-N 3.09Å; V266-M270 PolarHBondContact O-N 3.28Å
267	P	98.6	Very high	97.7	Very high	26 Å²	26	52.2 Å²	52.2	17%	0.169	25%	0.253	C	S	.	.	H	α-helix	trans	-47	-50.1	-177.1	-33.5	37.2	0	0	0	115.4	T55 H59 L269 M270 Y271	T55-P267 WeakPolarHBondContact O-CG 3.46Å; H59-P267 HydrophobicContact CB-CB 4.14Å; H59-P267 HydrophobicContact CB-CG 4.49Å; H59-P267 VanDerWaalsContact CD2-CB 3.48Å; H59-P267 WeakPolarHBondContact CD2-CB 3.13Å; H59-P267 VanDerWaalsContact CD2-CG 3.49Å; H59-P267 WeakPolarHBondContact CD2-CG 3.47Å; P267-L269 PolarHBondContact O-N 2.8Å; P267-M270 WeakPolarHBondContact O-CA 3.24Å; P267-M270 VanDerWaalsContact O-CB 3.3Å; P267-M270 WeakPolarHBondContact O-CB 3.12Å; P267-M270 PolarHBondContact O-N 3.08Å; P267-Y271 WeakPolarHBondContact O-CD2 3.3Å; P267-Y271 PolarHBondContact O-N 2.68Å; P267-Y271 VanDerWaalsContact O-N 3.17Å
268	D	98.5	Very high	97.6	Very high	129 Å²	129	48 Å²	48	69%	0.69	23%	0.229	S	C	*	.	H	α-helix	trans	-58.7	-39.6	179.6	-63.9	-27.4	0	0	0	111.6	V266 Y271 V272	V266-D268 PolarHBondContact O-N 2.92Å; D268-Y271 PolarHBondContact O-N 3.37Å; D268-V272 WeakPolarHBondContact O-CG2 3.41Å; D268-V272 PolarHBondContact O-N 3.13Å
269	L	98.6	Very high	97.4	Very high	35 Å²	35	51.3 Å²	51.3	18%	0.183	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-33	176	-171.3	58	0	0	0	111.8	P225 V265 V266 P267 Y271 V272 L273	P225-L269 HydrophobicContact CG-CD2 4.3Å; V265-L269 HydrophobicContact CG1-CB 3.89Å; V265-L269 HydrophobicContact CG1-CD2 4.16Å; V265-L269 HydrophobicContact CG1-CG 3.88Å; V266-L269 HydrophobicContact CG2-CB 3.96Å; V266-L269 CarbonylContact O-C 3.42Å; V266-L269 WeakPolarHBondContact O-CA 3.5Å; V266-L269 WeakPolarHBondContact O-CB 3.48Å; V266-L269 PolarHBondContact O-N 3.09Å; P267-L269 PolarHBondContact O-N 2.8Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3.16Å; L269-V272 HydrophobicContact CD1-CB 4.27Å; L269-V272 HydrophobicContact CD1-CG1 4.33Å; L269-V272 PolarHBondContact O-N 3.27Å; L269-L273 HydrophobicContact CD1-CG 4.37Å; L269-L273 HydrophobicContact CG-CD1 4.39Å; L269-L273 HydrophobicContact CG-CG 4.32Å; L269-L273 WeakPolarHBondContact O-CB 3.29Å; L269-L273 VanDerWaalsContact O-CG 3.27Å; L269-L273 WeakPolarHBondContact O-CG 3.24Å; L269-L273 PolarHBondContact O-N 3.34Å
270	M	98.8	Very high	97.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-42.9	173.5	-61.6	-172.3	179.7	0	0	111.2	H59 V60 T63 D123 Y126 V265 V266 P267 L273 E274	H59-M270 HydrophobicContact CB-SD 4.07Å; V60-M270 HydrophobicContact CG2-CE 3.58Å; V60-M270 HydrophobicContact CG2-SD 3.91Å; T63-M270 HydrophobicContact CG2-CB 4.2Å; D123-M270 WeakPolarHBondContact O-CE 3.48Å; Y126-M270 HydrophobicContact CD2-CB 4.03Å; Y126-M270 HydrophobicContact CD2-CG 4.2Å; Y126-M270 HydrophobicContact CE2-CB 4.42Å; Y126-M270 WeakPolarHBondContact CE2-O 3.34Å; V265-M270 HydrophobicContact CB-CG 4.37Å; V265-M270 HydrophobicContact CG1-CB 4.29Å; V265-M270 HydrophobicContact CG1-CG 3.56Å; V265-M270 WeakPolarHBondContact O-CE 3.18Å; V266-M270 PolarHBondContact O-N 3.28Å; P267-M270 WeakPolarHBondContact O-CA 3.24Å; P267-M270 VanDerWaalsContact O-CB 3.3Å; P267-M270 WeakPolarHBondContact O-CB 3.12Å; P267-M270 PolarHBondContact O-N 3.08Å; M270-L273 PolarHBondContact O-N 2.82Å; M270-E274 WeakPolarHBondContact O-CB 3.47Å; M270-E274 PolarHBondContact O-N 2.75Å
271	Y	98.7	Very high	96.6	Very high	100 Å²	100	62 Å²	62	39%	0.392	29%	0.289	S	S	.	.	H	α-helix	trans	-71.8	-35.7	177.6	-68.8	-75.7	0	0	0	112.8	H59 T63 P267 D268 L269 E274 Y275	H59-Y271 HydrophobicContact CB-CE2 4.18Å; H59-Y271 AromaticContact ND1-CE2 3.36Å; H59-Y271 WeakPolarHBondContact ND1-CE2 3.45Å; H59-Y271 AromaticContact ND1-CZ 3.59Å; H59-Y271 PolarHBondContact ND1-OH 3.03Å; T63-Y271 HydrophobicContact CG2-CD1 3.91Å; T63-Y271 HydrophobicContact CG2-CE1 3.85Å; T63-Y271 HydrophobicContact CG2-CG 4.45Å; P267-Y271 WeakPolarHBondContact O-CD2 3.3Å; P267-Y271 PolarHBondContact O-N 2.68Å; P267-Y271 VanDerWaalsContact O-N 3.17Å; D268-Y271 PolarHBondContact O-N 3.37Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3.16Å; Y271-E274 PolarHBondContact O-N 2.97Å; Y271-Y275 WeakPolarHBondContact O-CB 3.26Å; Y271-Y275 PolarHBondContact O-N 3.21Å
272	V	98.6	Very high	96.2	Very high	63 Å²	63	65.1 Å²	65.1	38%	0.382	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-46	172.3	170.2	0	0	0	0	110.8	D268 L269 Y275 F276	D268-V272 WeakPolarHBondContact O-CG2 3.41Å; D268-V272 PolarHBondContact O-N 3.13Å; L269-V272 HydrophobicContact CD1-CB 4.27Å; L269-V272 HydrophobicContact CD1-CG1 4.33Å; L269-V272 PolarHBondContact O-N 3.27Å; V272-Y275 PolarHBondContact O-N 2.93Å; V272-F276 HydrophobicContact CG1-CD2 3.81Å; V272-F276 HydrophobicContact CG1-CE2 3.7Å; V272-F276 HydrophobicContact CG1-CZ 4.33Å; V272-F276 WeakPolarHBondContact O-CB 3.4Å; V272-F276 WeakPolarHBondContact O-CG 3.39Å; V272-F276 PolarHBondContact O-N 3.47Å
273	L	98.4	Very high	95.8	Very high	26 Å²	26	74.4 Å²	74.4	14%	0.136	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-44.7	176	-68.4	178.6	0	0	0	111.3	Y126 P225 V265 L269 M270 Y275 F276 I277	Y126-L273 HydrophobicContact CD1-CB 4.39Å; Y126-L273 HydrophobicContact CD1-CD1 4.09Å; Y126-L273 HydrophobicContact CD2-CB 4.37Å; Y126-L273 HydrophobicContact CD2-CD1 4.35Å; Y126-L273 HydrophobicContact CE1-CB 4.22Å; Y126-L273 HydrophobicContact CE2-CB 4.19Å; Y126-L273 HydrophobicContact CG-CB 4.47Å; Y126-L273 HydrophobicContact CG-CD1 3.9Å; P225-L273 HydrophobicContact CG-CD1 4.21Å; P225-L273 HydrophobicContact CG-CD2 4.35Å; V265-L273 HydrophobicContact CG1-CD1 3.81Å; V265-L273 HydrophobicContact CG2-CD1 4.23Å; L269-L273 HydrophobicContact CD1-CG 4.37Å; L269-L273 HydrophobicContact CG-CD1 4.39Å; L269-L273 HydrophobicContact CG-CG 4.32Å; L269-L273 WeakPolarHBondContact O-CB 3.29Å; L269-L273 VanDerWaalsContact O-CG 3.27Å; L269-L273 WeakPolarHBondContact O-CG 3.24Å; L269-L273 PolarHBondContact O-N 3.34Å; M270-L273 PolarHBondContact O-N 2.82Å; L273-Y275 VanDerWaalsContact C-N 3.31Å; L273-Y275 PolarHBondContact O-N 3.49Å; L273-F276 PolarHBondContact O-N 2.99Å; L273-I277 HydrophobicContact CB-CD1 4.15Å; L273-I277 VanDerWaalsContact O-CB 3.28Å; L273-I277 WeakPolarHBondContact O-CB 3.25Å; L273-I277 WeakPolarHBondContact O-CD1 3.19Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.26Å
274	E	98	Very high	95.2	Very high	12 Å²	12	77.1 Å²	77.1	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-55.3	-48.4	175	-171.2	74.7	-169.1	0	0	110.9	T63 K66 R67 Y126 M270 Y271 Y278 H279	T63-E274 HydrophobicContact CG2-CB 4.32Å; K66-E274 WeakPolarHBondContact CE-OE1 3.45Å; K66-E274 IonicContact NZ-OE1 3.61Å; K66-E274 PolarHBondContact NZ-OE1 3.25Å; R67-E274 IonicContact CZ-OE1 3.42Å; R67-E274 IonicContact CZ-OE2 2.74Å; R67-E274 IonicContact NH1-OE1 2.66Å; R67-E274 PolarHBondContact NH1-OE1 3.06Å; R67-E274 IonicContact NH1-OE2 3.57Å; R67-E274 IonicContact NH2-OE1 3.52Å; R67-E274 IonicContact NH2-OE2 3.5Å; R67-E274 PolarHBondContact NH2-OE2 2.65Å; Y126-E274 WeakPolarHBondContact OH-CA 3.08Å; Y126-E274 PolarHBondContact OH-OE2 2.63Å; M270-E274 WeakPolarHBondContact O-CB 3.47Å; M270-E274 PolarHBondContact O-N 2.75Å; Y271-E274 PolarHBondContact O-N 2.97Å; E274-Y278 WeakPolarHBondContact O-CD2 3.31Å; E274-Y278 PolarHBondContact O-N 3.48Å; E274-H279 PolarHBondContact O-CD2 3.22Å
275	Y	97.3	Very high	94.5	Very high	123 Å²	123	76.7 Å²	76.7	48%	0.482	39%	0.387	S	S	.	.	I	π-helix	trans	-63.2	-48.6	179.2	-175	-106.8	0	0	0	112.1	Y271 V272 L273 I277 H279 L280	Y271-Y275 WeakPolarHBondContact O-CB 3.26Å; Y271-Y275 PolarHBondContact O-N 3.21Å; V272-Y275 PolarHBondContact O-N 2.93Å; L273-Y275 VanDerWaalsContact C-N 3.31Å; L273-Y275 PolarHBondContact O-N 3.49Å; Y275-I277 PolarHBondContact O-N 3.4Å; Y275-H279 HydrophobicContact CD2-CB 3.52Å; Y275-H279 HydrophobicContact CE2-CB 3.8Å; Y275-H279 HydrophobicContact CG-CB 4.3Å; Y275-H279 CarbonylContact O-C 3.6Å; Y275-H279 WeakPolarHBondContact O-CA 3.47Å; Y275-H279 WeakPolarHBondContact O-CB 3.3Å; Y275-H279 PolarHBondContact O-N 3.22Å; Y275-L280 HydrophobicContact CD1-CB 4.27Å; Y275-L280 HydrophobicContact CE1-CB 3.95Å; Y275-L280 HydrophobicContact CE1-CD1 4.04Å; Y275-L280 HydrophobicContact CE1-CG 4.47Å; Y275-L280 PolarHBondContact O-N 2.95Å
276	F	96.1	Very high	93.3	Very high	120 Å²	120	82.4 Å²	82.4	53%	0.526	42%	0.417	S	S	.	.	I	π-helix	trans	-72.7	-25.4	-177.3	-70.4	-12.6	0	0	0	114.5	V272 L273 L280	V272-F276 HydrophobicContact CG1-CD2 3.81Å; V272-F276 HydrophobicContact CG1-CE2 3.7Å; V272-F276 HydrophobicContact CG1-CZ 4.33Å; V272-F276 WeakPolarHBondContact O-CB 3.4Å; V272-F276 WeakPolarHBondContact O-CG 3.39Å; V272-F276 PolarHBondContact O-N 3.47Å; L273-F276 PolarHBondContact O-N 2.99Å; F276-L280 HydrophobicContact CD1-CB 4.07Å; F276-L280 HydrophobicContact CD1-CD2 3.51Å; F276-L280 HydrophobicContact CD1-CG 4.38Å; F276-L280 HydrophobicContact CE1-CD2 3.78Å; F276-L280 HydrophobicContact CG-CD2 4.32Å
277	I	93.7	Very high	92	Very high	68 Å²	68	86.3 Å²	86.3	35%	0.349	43%	0.429	S	S	.	.	I	π-helix	trans	-86.3	-41.8	179.4	-63	164.2	0	0	0	111.4	Y126 I128 L273 Y275	Y126-I277 HydrophobicContact CE1-CD1 3.81Å; I128-I277 HydrophobicContact CD1-CD1 3.73Å; I128-I277 HydrophobicContact CG1-CD1 4.1Å; L273-I277 HydrophobicContact CB-CD1 4.15Å; L273-I277 VanDerWaalsContact O-CB 3.28Å; L273-I277 WeakPolarHBondContact O-CB 3.25Å; L273-I277 WeakPolarHBondContact O-CD1 3.19Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.26Å; Y275-I277 PolarHBondContact O-N 3.4Å
278	Y	92.1	Very high	90.1	Very high	27 Å²	27	90.2 Å²	90.2	11%	0.106	45%	0.452	C	S	.	.	I	π-helix	trans	-113.6	-16.6	-168.4	-58.7	-81.4	0	0	0	114.7	R67 Y126 E130 E274	R67-Y278 PolarHBondContact NE-OH 2.82Å; Y126-Y278 WeakPolarHBondContact OH-CE2 3.32Å; E130-Y278 PolarHBondContact OE2-OH 3.02Å; E130-Y278 VanDerWaalsContact OE2-OH 3.09Å; E274-Y278 WeakPolarHBondContact O-CD2 3.31Å; E274-Y278 PolarHBondContact O-N 3.48Å
279	H	90.9	Very high	88	Confident	109 Å²	109	86.6 Å²	86.6	51%	0.505	44%	0.436	S	S	.	.	I	π-helix	trans	-117.3	-48.1	-172.4	-61.5	-80.6	0	0	0	113.5	E274 Y275 R281	E274-H279 PolarHBondContact O-CD2 3.22Å; Y275-H279 HydrophobicContact CD2-CB 3.52Å; Y275-H279 HydrophobicContact CE2-CB 3.8Å; Y275-H279 HydrophobicContact CG-CB 4.3Å; Y275-H279 CarbonylContact O-C 3.6Å; Y275-H279 WeakPolarHBondContact O-CA 3.47Å; Y275-H279 WeakPolarHBondContact O-CB 3.3Å; Y275-H279 PolarHBondContact O-N 3.22Å; H279-R281 PolarHBondContact O-N 2.99Å
280	L	92.6	Very high	86	Confident	79 Å²	79	87.3 Å²	87.3	41%	0.414	44%	0.438	S	S	.	.			trans	-69.7	129.2	-179.8	-175.8	71.8	0	0	0	110.2	Y275 F276	Y275-L280 HydrophobicContact CD1-CB 4.27Å; Y275-L280 HydrophobicContact CE1-CB 3.95Å; Y275-L280 HydrophobicContact CE1-CD1 4.04Å; Y275-L280 HydrophobicContact CE1-CG 4.47Å; Y275-L280 PolarHBondContact O-N 2.95Å; F276-L280 HydrophobicContact CD1-CB 4.07Å; F276-L280 HydrophobicContact CD1-CD2 3.51Å; F276-L280 HydrophobicContact CD1-CG 4.38Å; F276-L280 HydrophobicContact CE1-CD2 3.78Å; F276-L280 HydrophobicContact CG-CD2 4.32Å
281	R	86.9	Confident	83.7	Confident	157 Å²	157	90.8 Å²	90.8	59%	0.592	46%	0.456	S	S	*	.			trans	-134.3	108.1	177.3	-63.4	179.1	-174.2	-167.3	-1.6	109.4	E28 H279 F283	E28-R281 IonicContact OE1-NH2 2.91Å; E28-R281 PolarHBondContact OE1-NH2 3.48Å; H279-R281 PolarHBondContact O-N 2.99Å; R281-F283 PolarHBondContact O-N 3.17Å
282	P	90.4	Very high	81.4	Confident	68 Å²	68	96 Å²	96	44%	0.442	48%	0.475	S	S	.	.			trans	-60.5	123.7	169.6	-20.9	33	0	0	0	109.6	G284 I285	P282-G284 PolarHBondContact O-N 2.97Å; P282-I285 HydrophobicContact CB-CB 4.25Å; P282-I285 HydrophobicContact CB-CD1 3.79Å; P282-I285 HydrophobicContact CB-CG1 4.07Å; P282-I285 HydrophobicContact CG-CD1 4.41Å; P282-I285 PolarHBondContact O-N 3.22Å
283	F	89.3	Confident	79.3	Confident	215 Å²	215	93.1 Å²	93.1	94%	0.943	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	131.8	-179.2	-179.5	-100.6	0	0	0	111	R281 I285	R281-F283 PolarHBondContact O-N 3.17Å; F283-I285 VanDerWaalsContact C-N 3.34Å; F283-I285 PolarHBondContact O-N 3.19Å
284	G	86.6	Confident	77.2	Confident	73 Å²	73	94.4 Å²	94.4	75%	0.753	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-5.2	179.7	0	0	0	0	0	115.8	P282	P282-G284 PolarHBondContact O-N 2.97Å
285	I	83.8	Confident	75.2	Confident	100 Å²	100	99.8 Å²	99.8	51%	0.513	50%	0.497	S	S	.	.			trans	-97.8	119.4	175.9	-56.5	-171.7	0	0	0	109.6	P282 F283	P282-I285 HydrophobicContact CB-CB 4.25Å; P282-I285 HydrophobicContact CB-CD1 3.79Å; P282-I285 HydrophobicContact CB-CG1 4.07Å; P282-I285 HydrophobicContact CG-CD1 4.41Å; P282-I285 PolarHBondContact O-N 3.22Å; F283-I285 VanDerWaalsContact C-N 3.34Å; F283-I285 PolarHBondContact O-N 3.19Å
286	L	73.1	Confident	73.4	Confident	120 Å²	120	97 Å²	97	63%	0.628	51%	0.506	S	S	*	.			trans	-110.7	120.5	175.7	-67	167.7	0	0	0	109.4	V288	L286-V288 WeakPolarHBondContact O-CG2 3.47Å; L286-V288 PolarHBondContact O-N 3.31Å
287	H	71.7	Confident	72.1	Confident	162 Å²	162	99 Å²	99	75%	0.75	52%	0.522	S	S	*	.			trans	-85.3	105.7	172.5	-64.2	-72.8	0	0	0	109.2
288	V	58.3	Low	71.3	Confident	108 Å²	108	97.9 Å²	97.9	66%	0.655	52%	0.518	S	S	*	.			trans	-92.5	146.7	-177.2	-151.1	0	0	0	0	107.6	L286	L286-V288 WeakPolarHBondContact O-CG2 3.47Å; L286-V288 PolarHBondContact O-N 3.31Å
289	P	54.5	Low	71	Confident	53 Å²	53	99.9 Å²	99.9	34%	0.344	54%	0.536	S	S	.	.	S	Bend	cis	-101.6	-11.4	42.5	-1.4	20.9	0	0	0	117.2	N291 F310	P289-N291 PolarHBondContact O-N 3.43Å; P289-F310 HydrophobicContact CG-CD2 3.97Å; P289-F310 HydrophobicContact CG-CE2 3.71Å; P289-F310 HydrophobicContact CG-CZ 4.08Å
290	F	55.7	Low	70.8	Confident	51 Å²	51	98.2 Å²	98.2	22%	0.224	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-87.6	11.1	-153.5	-66	-67	0	0	0	117.6	R292 L293 S294 I306 F310	F290-R292 PolarHBondContact O-N 3.1Å; F290-R292 VanDerWaalsContact O-N 3.09Å; F290-L293 HydrophobicContact CD1-CB 4.44Å; F290-L293 HydrophobicContact CD1-CD1 3.36Å; F290-L293 HydrophobicContact CD1-CG 3.95Å; F290-L293 HydrophobicContact CE1-CD1 3.67Å; F290-L293 HydrophobicContact CG-CD1 4.46Å; F290-L293 PolarHBondContact O-N 3.25Å; F290-S294 PolarHBondContact O-N 3.47Å; F290-I306 HydrophobicContact CE1-CG2 4.22Å; F290-F310 HydrophobicContact CE2-CD1 4.22Å; F290-F310 HydrophobicContact CE2-CE1 4.42Å; F290-F310 HydrophobicContact CZ-CB 4.4Å; F290-F310 AromaticContact CZ-CD1 3.87Å; F290-F310 HydrophobicContact CZ-CD1 3.87Å; F290-F310 HydrophobicContact CZ-CG 4.25Å
291	N	51.4	Low	70.6	Confident	73 Å²	73	97.8 Å²	97.8	39%	0.39	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-56.8	-22.5	167	-86.2	-2.5	0	0	0	113.2	P289 S294 L295	P289-N291 PolarHBondContact O-N 3.43Å; N291-S294 PolarHBondContact O-OG 3.13Å; N291-L295 WeakPolarHBondContact O-CG 3.28Å
292	R	51	Low	70.7	Confident	208 Å²	208	93.4 Å²	93.4	79%	0.785	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-74.4	-28.1	174.2	-70.1	-169.8	-175.7	-170.2	1.6	113.6	F290	F290-R292 PolarHBondContact O-N 3.1Å; F290-R292 VanDerWaalsContact O-N 3.09Å
293	L	52.9	Low	70.5	Confident	4 Å²	4	90.5 Å²	90.5	2%	0.021	50%	0.504	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-23.9	-178.1	-69	-174.5	0	0	0	113.2	V32 F290 L295 V298 V303 I306	V32-L293 HydrophobicContact CG1-CD1 4.03Å; V32-L293 HydrophobicContact CG2-CB 3.45Å; V32-L293 VanDerWaalsContact CG2-CB 3.45Å; V32-L293 HydrophobicContact CG2-CD1 3.72Å; V32-L293 HydrophobicContact CG2-CG 4.23Å; F290-L293 HydrophobicContact CD1-CB 4.44Å; F290-L293 HydrophobicContact CD1-CD1 3.36Å; F290-L293 HydrophobicContact CD1-CG 3.95Å; F290-L293 HydrophobicContact CE1-CD1 3.67Å; F290-L293 HydrophobicContact CG-CD1 4.46Å; F290-L293 PolarHBondContact O-N 3.25Å; L293-L295 PolarHBondContact O-N 2.99Å; L293-V298 HydrophobicContact CD2-CB 4.43Å; L293-V298 HydrophobicContact CD2-CG1 3.77Å; L293-V298 HydrophobicContact CD2-CG2 4.41Å; L293-V303 HydrophobicContact CD1-CG1 4.24Å; L293-V303 HydrophobicContact CD2-CG2 4.16Å; L293-I306 HydrophobicContact CD1-CB 4.28Å; L293-I306 HydrophobicContact CD1-CG2 4.01Å; L293-I306 HydrophobicContact CD2-CB 4.1Å; L293-I306 HydrophobicContact CD2-CD1 3.45Å; L293-I306 VanDerWaalsContact CD2-CD1 3.45Å; L293-I306 HydrophobicContact CD2-CG1 4.32Å; L293-I306 HydrophobicContact CD2-CG2 4.24Å; L293-I306 HydrophobicContact CG-CD1 4.41Å; L293-I306 HydrophobicContact CG-CG2 4.2Å
294	S	55.9	Low	70.6	Confident	52 Å²	52	81.7 Å²	81.7	36%	0.364	47%	0.466	S	S	.	.	S	Bend	trans	-76.6	-6.7	177.3	56.3	0	0	0	0	113.6	F290 N291 G296	F290-S294 PolarHBondContact O-N 3.47Å; N291-S294 PolarHBondContact O-OG 3.13Å; S294-G296 PolarHBondContact O-N 3.28Å
295	L	55.6	Low	70.7	Confident	125 Å²	125	84.9 Å²	84.9	65%	0.654	46%	0.455	S	S	*	.	S	Bend	trans	-79.5	81.9	176.9	-64.8	172.1	0	0	0	110.9	N291 L293 N297	N291-L295 WeakPolarHBondContact O-CG 3.28Å; L293-L295 PolarHBondContact O-N 2.99Å; L295-N297 VanDerWaalsContact C-N 3.25Å; L295-N297 PolarHBondContact O-N 2.85Å
296	G	59.2	Low	70.9	Confident	64 Å²	64	82.4 Å²	82.4	66%	0.66	44%	0.443	S	S	*	.	S	Bend	trans	53.6	-50	152.6	0	0	0	0	0	120.8	S294	S294-G296 PolarHBondContact O-N 3.28Å
297	N	69.2	Low	71.7	Confident	164 Å²	164	76.7 Å²	76.7	88%	0.877	41%	0.413	S	S	*	.			trans	-127.2	37.4	-164.8	-74.6	-5.8	0	0	0	113.1	L295	L295-N297 VanDerWaalsContact C-N 3.25Å; L295-N297 PolarHBondContact O-N 2.85Å
298	V	76	Confident	72.6	Confident	43 Å²	43	70.8 Å²	70.8	26%	0.261	39%	0.39	S	S	.	.			trans	-91.7	124.7	173.2	-168.6	0	0	0	0	109.9	L293 E302 V303	L293-V298 HydrophobicContact CD2-CB 4.43Å; L293-V298 HydrophobicContact CD2-CG1 3.77Å; L293-V298 HydrophobicContact CD2-CG2 4.41Å; V298-E302 HydrophobicContact CG1-CB 3.59Å; V298-E302 HydrophobicContact CG1-CG 3.43Å; V298-E302 VanDerWaalsContact CG1-CG 3.43Å; V298-V303 HydrophobicContact CB-CG2 4.17Å; V298-V303 HydrophobicContact CG1-CG2 3.83Å
299	S	85.8	Confident	74.1	Confident	69 Å²	69	68 Å²	68	48%	0.483	38%	0.375	S	S	.	.			trans	-65	153.9	176.8	74.6	0	0	0	0	110.9	A301 E302 V303	S299-A301 VanDerWaalsContact C-N 3.26Å; S299-A301 PolarHBondContact O-N 3.07Å; S299-E302 PolarHBondContact O-N 3.37Å; S299-E302 WeakPolarHBondContact OG-CB 3.48Å; S299-E302 PolarHBondContact OG-N 2.84Å; S299-V303 PolarHBondContact O-N 3.24Å
300	H	87	Confident	75.8	Confident	74 Å²	74	67.8 Å²	67.8	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-52.9	-45.4	175.2	-179.9	89.8	0	0	0	111.8	A35 E39 E302 V303 I304	A35-H300 PolarHBondContact O-CE1 3.18Å; E39-H300 IonicContact OE1-CD2 3.87Å; E39-H300 IonicContact OE1-CE1 3.6Å; E39-H300 PolarHBondContact OE1-CE1 2.82Å; E39-H300 IonicContact OE1-NE2 2.8Å; E39-H300 PolarHBondContact OE1-NE2 2.85Å; H300-E302 VanDerWaalsContact C-N 3.3Å; H300-E302 PolarHBondContact O-N 3.3Å; H300-V303 WeakPolarHBondContact O-CB 3.28Å; H300-V303 PolarHBondContact O-N 2.94Å; H300-I304 WeakPolarHBondContact O-CG1 3.41Å; H300-I304 PolarHBondContact O-N 2.89Å
301	A	88.8	Confident	77.5	Confident	71 Å²	71	65.3 Å²	65.3	59%	0.587	36%	0.358	S	S	*	.	H	α-helix	trans	-59.5	-39.9	177.6	0	0	0	0	0	112.7	S299 I304 R305	S299-A301 VanDerWaalsContact C-N 3.26Å; S299-A301 PolarHBondContact O-N 3.07Å; A301-I304 PolarHBondContact O-N 3.01Å; A301-R305 WeakPolarHBondContact O-CB 3.41Å; A301-R305 PolarHBondContact O-N 3.41Å
302	E	87.9	Confident	79.3	Confident	64 Å²	64	63.9 Å²	63.9	30%	0.299	36%	0.356	S	S	.	.	H	α-helix	trans	-71.8	-37.7	179.4	-178.8	63.1	-173.8	0	0	112.2	V298 S299 H300 I304 R305 I306	V298-E302 HydrophobicContact CG1-CB 3.59Å; V298-E302 HydrophobicContact CG1-CG 3.43Å; V298-E302 VanDerWaalsContact CG1-CG 3.43Å; S299-E302 PolarHBondContact O-N 3.37Å; S299-E302 WeakPolarHBondContact OG-CB 3.48Å; S299-E302 PolarHBondContact OG-N 2.84Å; H300-E302 VanDerWaalsContact C-N 3.3Å; H300-E302 PolarHBondContact O-N 3.3Å; E302-I304 PolarHBondContact O-N 3.45Å; E302-R305 PolarHBondContact O-N 2.76Å; E302-R305 IonicContact OE1-CZ 3.83Å; E302-R305 IonicContact OE1-NE 2.74Å; E302-R305 IonicContact OE1-NH2 2.94Å; E302-R305 PolarHBondContact OE1-NH2 2.74Å; E302-R305 IonicContact OE2-CZ 3.3Å; E302-R305 IonicContact OE2-NE 2.96Å; E302-R305 PolarHBondContact OE2-NE 3.29Å; E302-R305 IonicContact OE2-NH2 2.76Å; E302-R305 PolarHBondContact OE2-NH2 3.15Å; E302-I306 HydrophobicContact CG-CD1 4.06Å; E302-I306 WeakPolarHBondContact O-CG1 3.42Å; E302-I306 PolarHBondContact O-N 2.97Å; E302-I306 WeakPolarHBondContact OE1-CD1 3.38Å
303	V	86.7	Confident	81.2	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.042	35%	0.352	C	S	.	.	H	α-helix	trans	-56.6	-50.6	170.9	169.9	0	0	0	0	110.4	V32 A35 L293 V298 S299 H300 I306 A307	V32-V303 HydrophobicContact CB-CG1 4.41Å; V32-V303 HydrophobicContact CG1-CG1 4.11Å; V32-V303 HydrophobicContact CG2-CG1 4.4Å; A35-V303 HydrophobicContact CB-CB 4.4Å; A35-V303 HydrophobicContact CB-CG1 3.76Å; L293-V303 HydrophobicContact CD1-CG1 4.24Å; L293-V303 HydrophobicContact CD2-CG2 4.16Å; V298-V303 HydrophobicContact CB-CG2 4.17Å; V298-V303 HydrophobicContact CG1-CG2 3.83Å; S299-V303 PolarHBondContact O-N 3.24Å; H300-V303 WeakPolarHBondContact O-CB 3.28Å; H300-V303 PolarHBondContact O-N 2.94Å; V303-I306 PolarHBondContact O-N 3.5Å; V303-A307 VanDerWaalsContact O-CB 3.28Å; V303-A307 WeakPolarHBondContact O-CB 3.46Å; V303-A307 PolarHBondContact O-N 2.85Å
304	I	90.5	Very high	82.9	Confident	30 Å²	30	62.2 Å²	62.2	15%	0.154	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-44.6	-179.6	-62.3	-55.7	0	0	0	110.9	I36 E39 H300 A301 E302 I306 A307 S308	I36-I304 HydrophobicContact CG1-CD1 4.09Å; E39-I304 HydrophobicContact CB-CD1 4.16Å; E39-I304 HydrophobicContact CG-CD1 3.47Å; E39-I304 VanDerWaalsContact CG-CD1 3.47Å; E39-I304 HydrophobicContact CG-CG1 3.78Å; H300-I304 WeakPolarHBondContact O-CG1 3.41Å; H300-I304 PolarHBondContact O-N 2.89Å; A301-I304 PolarHBondContact O-N 3.01Å; E302-I304 PolarHBondContact O-N 3.45Å; I304-I306 VanDerWaalsContact C-N 3.35Å; I304-I306 PolarHBondContact O-N 3.27Å; I304-A307 PolarHBondContact O-N 3.27Å; I304-S308 VanDerWaalsContact O-CB 3.28Å; I304-S308 WeakPolarHBondContact O-CB 3.19Å; I304-S308 PolarHBondContact O-N 3.5Å; I304-S308 PolarHBondContact O-OG 3.38Å; I304-S308 VanDerWaalsContact O-OG 3.1Å
305	R	90	Very high	84.4	Confident	140 Å²	140	60.2 Å²	60.2	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-56.5	-47.3	177.3	-170	-168.2	69.1	76.7	0	112.1	A301 E302 S309	A301-R305 WeakPolarHBondContact O-CB 3.41Å; A301-R305 PolarHBondContact O-N 3.41Å; E302-R305 PolarHBondContact O-N 2.76Å; E302-R305 IonicContact OE1-CZ 3.83Å; E302-R305 IonicContact OE1-NE 2.74Å; E302-R305 IonicContact OE1-NH2 2.94Å; E302-R305 PolarHBondContact OE1-NH2 2.74Å; E302-R305 IonicContact OE2-CZ 3.3Å; E302-R305 IonicContact OE2-NE 2.96Å; E302-R305 PolarHBondContact OE2-NE 3.29Å; E302-R305 IonicContact OE2-NH2 2.76Å; E302-R305 PolarHBondContact OE2-NH2 3.15Å; R305-S309 VanDerWaalsContact O-CB 3.29Å; R305-S309 WeakPolarHBondContact O-CB 3.29Å; R305-S309 PolarHBondContact O-N 3.43Å
306	I	88.2	Confident	85.4	Confident	48 Å²	48	59.4 Å²	59.4	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-45.7	179.8	-70	169.8	0	0	0	110.7	F290 L293 E302 V303 I304 S309 F310	F290-I306 HydrophobicContact CE1-CG2 4.22Å; L293-I306 HydrophobicContact CD1-CB 4.28Å; L293-I306 HydrophobicContact CD1-CG2 4.01Å; L293-I306 HydrophobicContact CD2-CB 4.1Å; L293-I306 HydrophobicContact CD2-CD1 3.45Å; L293-I306 VanDerWaalsContact CD2-CD1 3.45Å; L293-I306 HydrophobicContact CD2-CG1 4.32Å; L293-I306 HydrophobicContact CD2-CG2 4.24Å; L293-I306 HydrophobicContact CG-CD1 4.41Å; L293-I306 HydrophobicContact CG-CG2 4.2Å; E302-I306 HydrophobicContact CG-CD1 4.06Å; E302-I306 WeakPolarHBondContact O-CG1 3.42Å; E302-I306 PolarHBondContact O-N 2.97Å; E302-I306 WeakPolarHBondContact OE1-CD1 3.38Å; V303-I306 PolarHBondContact O-N 3.5Å; I304-I306 VanDerWaalsContact C-N 3.35Å; I304-I306 PolarHBondContact O-N 3.27Å; I306-S309 PolarHBondContact O-N 3.28Å; I306-F310 WeakPolarHBondContact O-CB 3.04Å; I306-F310 PolarHBondContact O-N 3.38Å
307	A	89.3	Confident	85.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.3	-46.5	179.4	0	0	0	0	0	112	I36 L137 V303 I304 F310 A311	I36-A307 HydrophobicContact CD1-CB 3.7Å; I36-A307 HydrophobicContact CG1-CB 4.19Å; L137-A307 HydrophobicContact CD1-CB 3.83Å; V303-A307 VanDerWaalsContact O-CB 3.28Å; V303-A307 WeakPolarHBondContact O-CB 3.46Å; V303-A307 PolarHBondContact O-N 2.85Å; I304-A307 PolarHBondContact O-N 3.27Å; A307-F310 PolarHBondContact O-N 3.03Å; A307-A311 WeakPolarHBondContact O-CB 3.42Å; A307-A311 PolarHBondContact O-N 2.89Å
308	S	90.7	Very high	84.4	Confident	38 Å²	38	59.8 Å²	59.8	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-38.6	176.7	-64.9	0	0	0	0	112.2	I304 A311 A312	I304-S308 VanDerWaalsContact O-CB 3.28Å; I304-S308 WeakPolarHBondContact O-CB 3.19Å; I304-S308 PolarHBondContact O-N 3.5Å; I304-S308 PolarHBondContact O-OG 3.38Å; I304-S308 VanDerWaalsContact O-OG 3.1Å; S308-A311 PolarHBondContact O-N 2.9Å; S308-A312 WeakPolarHBondContact O-CB 3.01Å; S308-A312 PolarHBondContact O-N 2.88Å
309	S	89.6	Confident	82.5	Confident	50 Å²	50	69.5 Å²	69.5	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174.4	-178.6	0	0	0	0	111.9	R305 I306 K313	R305-S309 VanDerWaalsContact O-CB 3.29Å; R305-S309 WeakPolarHBondContact O-CB 3.29Å; R305-S309 PolarHBondContact O-N 3.43Å; I306-S309 PolarHBondContact O-N 3.28Å; S309-K313 WeakPolarHBondContact O-CG 3.43Å; S309-K313 PolarHBondContact O-N 3.47Å
310	F	90.7	Very high	82.3	Confident	48 Å²	48	69.5 Å²	69.5	21%	0.211	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-47.4	174.7	178.5	-107.7	0	0	0	111.5	L134 F258 P289 F290 I306 A307 A312 K313 F314	L134-F310 HydrophobicContact CD1-CD1 3.66Å; L134-F310 HydrophobicContact CD1-CE1 4.1Å; L134-F310 HydrophobicContact CD2-CD1 4.25Å; L134-F310 HydrophobicContact CD2-CE1 3.8Å; F258-F310 HydrophobicContact CE1-CE1 4.21Å; F258-F310 AromaticContact CE2-CE1 3.77Å; F258-F310 HydrophobicContact CE2-CE1 3.77Å; F258-F310 AromaticContact CE2-CZ 3.58Å; F258-F310 HydrophobicContact CE2-CZ 3.58Å; F258-F310 AromaticContact CZ-CE1 3.55Å; F258-F310 HydrophobicContact CZ-CE1 3.55Å; F258-F310 AromaticContact CZ-CZ 3.61Å; F258-F310 HydrophobicContact CZ-CZ 3.61Å; P289-F310 HydrophobicContact CG-CD2 3.97Å; P289-F310 HydrophobicContact CG-CE2 3.71Å; P289-F310 HydrophobicContact CG-CZ 4.08Å; F290-F310 HydrophobicContact CE2-CD1 4.22Å; F290-F310 HydrophobicContact CE2-CE1 4.42Å; F290-F310 HydrophobicContact CZ-CB 4.4Å; F290-F310 AromaticContact CZ-CD1 3.87Å; F290-F310 HydrophobicContact CZ-CD1 3.87Å; F290-F310 HydrophobicContact CZ-CG 4.25Å; I306-F310 WeakPolarHBondContact O-CB 3.04Å; I306-F310 PolarHBondContact O-N 3.38Å; A307-F310 PolarHBondContact O-N 3.03Å; F310-A312 PolarHBondContact O-N 3.14Å; F310-K313 PolarHBondContact O-N 3Å; F310-F314 HydrophobicContact CE1-CB 4.35Å; F310-F314 HydrophobicContact CE1-CG 4.49Å; F310-F314 HydrophobicContact CE2-CB 4.44Å; F310-F314 HydrophobicContact CZ-CB 4.2Å; F310-F314 HydrophobicContact CZ-CD2 4.17Å; F310-F314 HydrophobicContact CZ-CG 4.19Å; F310-F314 VanDerWaalsContact O-CB 3.31Å; F310-F314 WeakPolarHBondContact O-CB 3.4Å; F310-F314 PolarHBondContact O-N 3.35Å
311	A	92	Very high	82	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-55.7	-48.9	176.9	0	0	0	0	0	111.8	L134 L137 S138 A307 S308 K313 F314 N315	L134-A311 HydrophobicContact CD1-CB 3.81Å; L134-A311 WeakPolarHBondContact O-CB 3.4Å; L137-A311 HydrophobicContact CB-CB 3.85Å; L137-A311 HydrophobicContact CD1-CB 4.47Å; S138-A311 PolarHBondContact OG-O 3.37Å; A307-A311 WeakPolarHBondContact O-CB 3.42Å; A307-A311 PolarHBondContact O-N 2.89Å; S308-A311 PolarHBondContact O-N 2.9Å; A311-K313 VanDerWaalsContact C-N 3.33Å; A311-K313 PolarHBondContact O-N 3.36Å; A311-F314 PolarHBondContact O-N 3.36Å; A311-N315 WeakPolarHBondContact O-CB 3.27Å; A311-N315 PolarHBondContact O-N 2.98Å; A311-N315 PolarHBondContact O-ND2 3.08Å; A311-N315 VanDerWaalsContact O-ND2 3.16Å
312	A	88.9	Confident	81.7	Confident	43 Å²	43	69.2 Å²	69.2	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-58.1	-43.6	178.9	0	0	0	0	0	112.3	S308 F310 N316	S308-A312 WeakPolarHBondContact O-CB 3.01Å; S308-A312 PolarHBondContact O-N 2.88Å; F310-A312 PolarHBondContact O-N 3.14Å; A312-N316 PolarHBondContact O-N 3.35Å
313	K	89.3	Confident	81.3	Confident	157 Å²	157	69.5 Å²	69.5	68%	0.683	34%	0.341	S	S	*	.	H	α-helix	trans	-68.3	-45.3	176.9	-70.4	176.7	-178.6	-179.3	0	112.3	S309 F310 A311	S309-K313 WeakPolarHBondContact O-CG 3.43Å; S309-K313 PolarHBondContact O-N 3.47Å; F310-K313 PolarHBondContact O-N 3Å; A311-K313 VanDerWaalsContact C-N 3.33Å; A311-K313 PolarHBondContact O-N 3.36Å
314	F	90.4	Very high	81	Confident	19 Å²	19	73.4 Å²	73.4	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-77.1	-30.1	-172.8	-171.2	-99.5	0	0	0	113.3	D213 V214 Y215 F258 F310 A311	D213-F314 HydrophobicContact CB-CD1 4.11Å; D213-F314 HydrophobicContact CB-CE1 3.39Å; D213-F314 HydrophobicContact CB-CE2 4.42Å; D213-F314 HydrophobicContact CB-CZ 3.56Å; V214-F314 WeakPolarHBondContact CB-O 3.34Å; V214-F314 HydrophobicContact CG1-CD2 4.3Å; V214-F314 PolarHBondContact N-O 2.97Å; Y215-F314 HydrophobicContact CE2-CE2 4.17Å; F258-F314 HydrophobicContact CB-CE1 4.23Å; F258-F314 HydrophobicContact CD2-CD1 4.02Å; F258-F314 AromaticContact CD2-CE1 3.44Å; F258-F314 HydrophobicContact CD2-CE1 3.44Å; F258-F314 VanDerWaalsContact CD2-CE1 3.44Å; F258-F314 HydrophobicContact CD2-CE2 4.1Å; F258-F314 AromaticContact CD2-CZ 3.5Å; F258-F314 HydrophobicContact CD2-CZ 3.5Å; F258-F314 HydrophobicContact CE2-CE1 4.23Å; F258-F314 HydrophobicContact CE2-CE2 4.19Å; F258-F314 HydrophobicContact CE2-CZ 4.05Å; F258-F314 HydrophobicContact CG-CE1 4.23Å; F310-F314 HydrophobicContact CE1-CB 4.35Å; F310-F314 HydrophobicContact CE1-CG 4.49Å; F310-F314 HydrophobicContact CE2-CB 4.44Å; F310-F314 HydrophobicContact CZ-CB 4.2Å; F310-F314 HydrophobicContact CZ-CD2 4.17Å; F310-F314 HydrophobicContact CZ-CG 4.19Å; F310-F314 VanDerWaalsContact O-CB 3.31Å; F310-F314 WeakPolarHBondContact O-CB 3.4Å; F310-F314 PolarHBondContact O-N 3.35Å; A311-F314 PolarHBondContact O-N 3.36Å
315	N	87.3	Confident	80.3	Confident	10 Å²	10	76.3 Å²	76.3	5%	0.053	37%	0.374	C	S	.	.	H	α-helix	trans	-89.4	-10	-178.2	-62.3	-33	0	0	0	113	L134 S138 R219 A311 V317	L134-N315 PolarHBondContact O-ND2 3.26Å; S138-N315 PolarHBondContact OG-ND2 3.25Å; R219-N315 PolarHBondContact NH1-OD1 2.88Å; A311-N315 WeakPolarHBondContact O-CB 3.27Å; A311-N315 PolarHBondContact O-N 2.98Å; A311-N315 PolarHBondContact O-ND2 3.08Å; A311-N315 VanDerWaalsContact O-ND2 3.16Å; N315-V317 HydrophobicContact CB-CG2 3.82Å; N315-V317 PolarHBondContact O-N 2.89Å
316	N	76.2	Confident	79.6	Confident	109 Å²	109	71.7 Å²	71.7	58%	0.583	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	33.5	-177.3	-163.9	30.2	0	0	0	113.5	V214 A312 K318	V214-N316 HydrophobicContact CB-CB 4.25Å; V214-N316 HydrophobicContact CG2-CB 4.11Å; A312-N316 PolarHBondContact O-N 3.35Å; N316-K318 PolarHBondContact O-N 3.2Å; N316-K318 VanDerWaalsContact O-N 3.13Å
317	V	59.5	Low	79	Confident	43 Å²	43	73.5 Å²	73.5	26%	0.261	37%	0.372	S	S	.	.			trans	-73.3	109.4	175.4	-178.2	0	0	0	0	105.7	Y139 N315 Q319	Y139-V317 HydrophobicContact CE2-CG2 4.02Å; N315-V317 HydrophobicContact CB-CG2 3.82Å; N315-V317 PolarHBondContact O-N 2.89Å; V317-Q319 PolarHBondContact O-N 3.18Å; V317-Q319 VanDerWaalsContact O-N 3.1Å
318	K	46.9	Very low	78.1	Confident	192 Å²	192	79.7 Å²	79.7	84%	0.835	40%	0.403	S	S	*	.			trans	-58	115.2	164.8	-70.1	-173.8	177.5	-176.1	0	106.3	N316	N316-K318 PolarHBondContact O-N 3.2Å; N316-K318 VanDerWaalsContact O-N 3.13Å
319	Q	36	Very low	77	Confident	247 Å²	247	83.5 Å²	83.5	100%	1.154	42%	0.415	S	S	*	.			trans	-59.8	0	172.2	-72.7	-175.8	-13.1	0	0	110.7	V317	V317-Q319 PolarHBondContact O-N 3.18Å; V317-Q319 VanDerWaalsContact O-N 3.1Å

Retrieved 319 of 319 residues in 582.1 ms (Link to these results)

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