G4LVD9_SCHMA Loading...

Vacuolar fusion protein MON1 homolog

Plays an important role in membrane trafficking through the secretory apparatus.

AlphaFold DB , UniProt , Accession G4LVD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	29.3	Very low	233 Å²	233	158.3 Å²	158.3	100%	1.148	86%	0.859	S	S	*	*				0	95.9	0	-85.4	173.6	166.9	0	0	107.4
2	N	33.3	Very low	29.2	Very low	172 Å²	172	156.1 Å²	156.1	92%	0.92	85%	0.854	S	S	*	*			trans	-164	73.5	157.5	-95.7	-5	0	0	0	103.2
3	E	29.7	Very low	28.8	Very low	172 Å²	172	154.9 Å²	154.9	80%	0.804	85%	0.846	S	S	*	*			trans	-82.3	119.9	164.4	-70.9	177.2	153.6	0	0	105.6
4	D	34.5	Very low	28.4	Very low	170 Å²	170	156.5 Å²	156.5	91%	0.909	85%	0.848	S	S	*	*			trans	-146.8	107.9	138.7	-98.8	-31.3	0	0	0	108.2
5	I	27.3	Very low	28.1	Very low	153 Å²	153	153.8 Å²	153.8	79%	0.785	84%	0.838	S	S	*	*			trans	-84.2	118.3	174.7	-66	167	0	0	0	105.9
6	C	27.9	Very low	27.8	Very low	128 Å²	128	151.6 Å²	151.6	87%	0.865	84%	0.836	S	S	*	*			trans	-144.3	111.5	151.1	-148.8	0	0	0	0	110.5
7	S	23.9	Very low	27.7	Very low	104 Å²	104	151.3 Å²	151.3	73%	0.727	83%	0.833	S	S	*	*			trans	-72.9	130	173.2	122	0	0	0	0	109.4
8	S	28.7	Very low	27.8	Very low	113 Å²	113	148.2 Å²	148.2	79%	0.79	83%	0.831	S	S	*	*			trans	-150.3	121.6	141.2	52.5	0	0	0	0	109.2	S10	S8-S10 PolarHBondContact O-N 3.32Å
9	K	26.8	Very low	27.8	Very low	206 Å²	206	148.8 Å²	148.8	90%	0.896	83%	0.826	S	S	*	*			trans	-66.2	121.1	173.2	-68.4	169.8	172.7	178	0	108
10	S	29	Very low	28	Very low	106 Å²	106	146.4 Å²	146.4	74%	0.741	82%	0.82	S	S	*	*			trans	-93.5	109.5	159.4	50.7	0	0	0	0	108.1	S8 V12	S8-S10 PolarHBondContact O-N 3.32Å; S10-V12 PolarHBondContact O-N 3.2Å
11	E	25.1	Very low	28	Very low	184 Å²	184	147 Å²	147	86%	0.86	82%	0.822	S	S	*	*			trans	-51.5	119.4	163.4	-78.2	168.4	141.4	0	0	108.6
12	V	27.7	Very low	27.8	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	80%	0.801	S	S	*	*			trans	-91.4	102.9	168.4	176.9	0	0	0	0	105.6	S10 M14	S10-V12 PolarHBondContact O-N 3.2Å; V12-M14 PolarHBondContact O-N 3.37Å
13	D	24	Very low	27.6	Very low	141 Å²	141	138.9 Å²	138.9	75%	0.754	79%	0.787	S	S	*	*			trans	-54.4	102.7	170.3	-77.7	-41.4	0	0	0	109.6	V15	D13-V15 PolarHBondContact O-N 3.43Å; D13-V15 VanDerWaalsContact O-N 3.08Å
14	M	23.4	Very low	27.9	Very low	177 Å²	177	136.4 Å²	136.4	87%	0.872	79%	0.785	S	S	*	*			trans	-78.7	92.2	170.7	-150.8	177.7	-143.3	0	0	106.9	V12 C16	V12-M14 PolarHBondContact O-N 3.37Å; M14-C16 PolarHBondContact O-N 2.71Å
15	V	24.2	Very low	27.8	Very low	116 Å²	116	136.6 Å²	136.6	70%	0.703	78%	0.778	S	S	*	*			trans	-59.3	101.4	174.2	177.8	0	0	0	0	108.5	D13 N17	D13-V15 PolarHBondContact O-N 3.43Å; D13-V15 VanDerWaalsContact O-N 3.08Å; V15-N17 PolarHBondContact O-N 3.02Å
16	C	23.6	Very low	28.1	Very low	119 Å²	119	135.3 Å²	135.3	80%	0.804	77%	0.772	S	S	*	*			trans	-65.2	101.2	165.9	-65.7	0	0	0	0	107.6	M14 A18	M14-C16 PolarHBondContact O-N 2.71Å; C16-A18 PolarHBondContact O-N 3.42Å
17	N	25.7	Very low	28.4	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	75%	0.75	S	S	*	*			trans	-54.4	114.2	167.7	-78.7	-29.4	0	0	0	108.2	V15 E19	V15-N17 PolarHBondContact O-N 3.02Å; N17-E19 PolarHBondContact O-N 3.11Å
18	A	28.3	Very low	28.9	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	75%	0.752	S	S	*	*			trans	-53.6	113.2	171	0	0	0	0	0	108.2	C16 S20	C16-A18 PolarHBondContact O-N 3.42Å; A18-S20 PolarHBondContact O-N 2.87Å; A18-S20 VanDerWaalsContact O-N 3.09Å
19	E	29.4	Very low	29.2	Very low	159 Å²	159	134.9 Å²	134.9	74%	0.743	74%	0.744	S	S	*	*			trans	-56.1	116	169.3	-70.1	-175.7	162.3	0	0	107.5	N17 D21 K205	N17-E19 PolarHBondContact O-N 3.11Å; E19-D21 PolarHBondContact O-N 2.56Å; E19-K205 IonicContact OE2-NZ 3.98Å
20	S	31.1	Very low	29.7	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	74%	0.739	S	S	*	*			trans	-46.1	128.3	176.4	52	0	0	0	0	111.4	A18 V22	A18-S20 PolarHBondContact O-N 2.87Å; A18-S20 VanDerWaalsContact O-N 3.09Å; S20-V22 PolarHBondContact O-N 2.72Å
21	D	28.6	Very low	30.4	Very low	160 Å²	160	127.3 Å²	127.3	86%	0.856	72%	0.721	S	S	*	*			trans	-46.1	110.7	171.3	-67.5	-52.5	0	0	0	110.5	E19 D23	E19-D21 PolarHBondContact O-N 2.56Å; D21-D23 PolarHBondContact O-N 3.3Å
22	V	30.7	Very low	31.3	Very low	119 Å²	119	126.2 Å²	126.2	72%	0.721	72%	0.717	S	S	*	*			trans	-82.7	96.7	169.9	-179.3	0	0	0	0	106.3	S20	S20-V22 PolarHBondContact O-N 2.72Å
23	D	30.6	Very low	32.4	Very low	115 Å²	115	122.5 Å²	122.5	62%	0.615	70%	0.695	S	S	*	*			trans	-57.1	134.5	169.8	-99.9	-32.8	0	0	0	110	D21 F25	D21-D23 PolarHBondContact O-N 3.3Å; D23-F25 HydrophobicContact CB-CD2 3.72Å; D23-F25 HydrophobicContact CB-CE2 4.13Å; D23-F25 PolarHBondContact O-N 3.11Å
24	P	36.3	Very low	34.5	Very low	119 Å²	119	120.7 Å²	120.7	77%	0.773	69%	0.689	S	S	*	*			trans	-77.7	64.5	173.3	33.7	-32.9	0	0	0	109.4	I26	P24-I26 PolarHBondContact O-N 3.33Å; P24-I26 VanDerWaalsContact O-N 3.14Å
25	F	30.8	Very low	37.5	Very low	174 Å²	174	113.6 Å²	113.6	76%	0.763	66%	0.661	S	S	*	*			trans	-67.2	113.2	168.8	-96.3	-84.8	0	0	0	108.5	D23 D27	D23-F25 HydrophobicContact CB-CD2 3.72Å; D23-F25 HydrophobicContact CB-CE2 4.13Å; D23-F25 PolarHBondContact O-N 3.11Å; F25-D27 PolarHBondContact O-N 3.46Å
26	I	33.5	Very low	40.6	Very low	127 Å²	127	108.8 Å²	108.8	65%	0.651	63%	0.634	S	S	*	*			trans	-58.9	92.8	155.6	-61.4	174.1	0	0	0	105.7	P24 N28	P24-I26 PolarHBondContact O-N 3.33Å; P24-I26 VanDerWaalsContact O-N 3.14Å; I26-N28 PolarHBondContact O-N 3Å
27	D	35.6	Very low	43.8	Very low	75 Å²	75	103.6 Å²	103.6	40%	0.401	60%	0.598	S	S	.	*			trans	-67.3	97.2	175.4	-170.3	10.4	0	0	0	107.9	F25 N29	F25-D27 PolarHBondContact O-N 3.46Å; D27-N29 PolarHBondContact O-N 2.83Å; D27-N29 VanDerWaalsContact OD1-CB 3.3Å; D27-N29 WeakPolarHBondContact OD1-CB 3.35Å; D27-N29 VanDerWaalsContact OD1-CG 3.29Å; D27-N29 PolarHBondContact OD1-N 3.18Å; D27-N29 PolarHBondContact OD1-ND2 2.93Å
28	N	33.8	Very low	46.9	Very low	144 Å²	144	97 Å²	97	77%	0.77	56%	0.564	S	S	*	*			trans	-72.1	9.9	173.4	-87.5	-14.1	0	0	0	112.8	I26 A30	I26-N28 PolarHBondContact O-N 3Å; N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 2.68Å
29	N	33.9	Very low	49.9	Very low	116 Å²	116	99.3 Å²	99.3	62%	0.62	55%	0.552	S	S	*	*			trans	-60.9	100.1	164.7	-80.1	-41.7	0	0	0	108.6	D27 T31	D27-N29 PolarHBondContact O-N 2.83Å; D27-N29 VanDerWaalsContact OD1-CB 3.3Å; D27-N29 WeakPolarHBondContact OD1-CB 3.35Å; D27-N29 VanDerWaalsContact OD1-CG 3.29Å; D27-N29 PolarHBondContact OD1-N 3.18Å; D27-N29 PolarHBondContact OD1-ND2 2.93Å; N29-T31 PolarHBondContact O-N 3.21Å
30	A	38.6	Very low	52.9	Low	95 Å²	95	91.9 Å²	91.9	79%	0.785	52%	0.517	S	S	*	.			trans	-52.9	83.6	172.4	0	0	0	0	0	109.9	N28 M32	N28-A30 VanDerWaalsContact C-N 3.31Å; N28-A30 PolarHBondContact O-N 2.68Å; A30-M32 PolarHBondContact O-N 2.77Å
31	T	43.2	Very low	55.7	Low	59 Å²	59	89.8 Å²	89.8	36%	0.362	50%	0.498	S	S	.	.			trans	-56.9	124.4	160.1	37.6	0	0	0	0	106.2	N29 T33	N29-T31 PolarHBondContact O-N 3.21Å; T31-T33 VanDerWaalsContact C-N 3.33Å; T31-T33 PolarHBondContact O-N 3.46Å
32	M	44.2	Very low	58.6	Low	161 Å²	161	88.6 Å²	88.6	79%	0.793	49%	0.485	S	S	*	.			trans	-48.7	98.1	175.7	-76.4	-89.3	149	0	0	108.7	A30 T34	A30-M32 PolarHBondContact O-N 2.77Å; M32-T34 PolarHBondContact O-N 2.86Å
33	T	51.9	Low	61.3	Low	54 Å²	54	87.4 Å²	87.4	33%	0.331	47%	0.472	S	S	.	.			trans	-65.8	121	176.2	38.8	0	0	0	0	106.2	T31 A38	T31-T33 VanDerWaalsContact C-N 3.33Å; T31-T33 PolarHBondContact O-N 3.46Å; T33-A38 WeakPolarHBondContact O-CB 3.42Å; T33-A38 WeakPolarHBondContact OG1-CB 3.19Å
34	T	67.6	Low	63.8	Low	103 Å²	103	82.6 Å²	82.6	63%	0.632	45%	0.447	S	S	*	.			trans	-107.5	118	168.4	53.9	0	0	0	0	106.2	M32	M32-T34 PolarHBondContact O-N 2.86Å
35	G	85.7	Confident	65.9	Low	27 Å²	27	83.1 Å²	83.1	28%	0.278	44%	0.439	S	S	.	.	S	Bend	trans	159.2	-172.6	-174.8	0	0	0	0	0	113.2	R39 D314	G35-R39 WeakPolarHBondContact O-CB 3.44Å; G35-R39 PolarHBondContact O-N 3.49Å; G35-R39 VanDerWaalsContact O-N 3.16Å; G35-D314 WeakPolarHBondContact CA-OD2 3.32Å
36	A	89.3	Confident	68.1	Low	15 Å²	15	79.2 Å²	79.2	12%	0.124	43%	0.434	C	S	.	.	H	α-helix	trans	-63.8	-44.1	176.8	0	0	0	0	0	110.8	A38 R39 I40 F313 D314	A36-A38 PolarHBondContact O-N 3.34Å; A36-R39 PolarHBondContact O-N 3.06Å; A36-I40 WeakPolarHBondContact O-CB 3.38Å; A36-I40 WeakPolarHBondContact O-CD1 3.42Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.23Å; A36-F313 HydrophobicContact CB-CE1 4.04Å; A36-F313 HydrophobicContact CB-CE2 4.46Å; A36-F313 HydrophobicContact CB-CZ 3.98Å; A36-D314 HydrophobicContact CB-CB 4.34Å; A36-D314 PolarHBondContact N-OD2 2.89Å
37	V	90.9	Very high	69.5	Low	11 Å²	11	79.4 Å²	79.4	7%	0.067	43%	0.433	C	S	.	.	H	α-helix	trans	-58.4	-49.3	-178.9	172.3	0	0	0	0	110.9	R39 I40 L41 F313 D314 L319 V337	V37-R39 PolarHBondContact O-N 3.49Å; V37-I40 PolarHBondContact O-N 3.16Å; V37-L41 WeakPolarHBondContact O-CB 2.85Å; V37-L41 PolarHBondContact O-N 2.76Å; V37-F313 HydrophobicContact CG2-CE1 4.06Å; V37-D314 WeakPolarHBondContact CB-OD2 3.4Å; V37-D314 HydrophobicContact CG2-CB 3.95Å; V37-D314 PolarHBondContact N-OD2 3.33Å; V37-L319 HydrophobicContact CG2-CD2 3.98Å; V37-L319 HydrophobicContact CG2-CG 4.27Å; V37-V337 HydrophobicContact CB-CG1 4.38Å; V37-V337 HydrophobicContact CG1-CB 4.19Å; V37-V337 HydrophobicContact CG1-CG1 3.97Å; V37-V337 HydrophobicContact CG2-CG1 4.49Å
38	A	90	Very high	69.9	Low	6 Å²	6	85.6 Å²	85.6	5%	0.05	46%	0.456	C	S	.	.	H	α-helix	trans	-64.2	-39.4	179.5	0	0	0	0	0	113.4	T33 A36 L41 K42	T33-A38 WeakPolarHBondContact O-CB 3.42Å; T33-A38 WeakPolarHBondContact OG1-CB 3.19Å; A36-A38 PolarHBondContact O-N 3.34Å; A38-L41 PolarHBondContact O-N 2.81Å; A38-K42 WeakPolarHBondContact O-CG 3.3Å; A38-K42 PolarHBondContact O-N 3.19Å
39	R	92	Very high	70.4	Confident	146 Å²	146	83.2 Å²	83.2	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-63.9	-47	177	-171	-170.3	-53.4	146.1	7.1	110.4	G35 A36 V37 L41 K42 E43	G35-R39 WeakPolarHBondContact O-CB 3.44Å; G35-R39 PolarHBondContact O-N 3.49Å; G35-R39 VanDerWaalsContact O-N 3.16Å; A36-R39 PolarHBondContact O-N 3.06Å; V37-R39 PolarHBondContact O-N 3.49Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 2.88Å; R39-K42 PolarHBondContact O-N 3.44Å; R39-E43 WeakPolarHBondContact CG-OE1 3.38Å; R39-E43 WeakPolarHBondContact O-CB 3.25Å; R39-E43 WeakPolarHBondContact O-CG 2.91Å; R39-E43 PolarHBondContact O-N 2.84Å
40	I	92.6	Very high	70.5	Confident	3 Å²	3	84 Å²	84	2%	0.015	46%	0.46	C	S	.	.	H	α-helix	trans	-64.2	-40.8	179.1	-64.2	167.1	0	0	0	110.5	A36 V37 E43 S44 V259 M275 Q278 F313 V337	A36-I40 WeakPolarHBondContact O-CB 3.38Å; A36-I40 WeakPolarHBondContact O-CD1 3.42Å; A36-I40 WeakPolarHBondContact O-CG1 3.42Å; A36-I40 PolarHBondContact O-N 3.23Å; V37-I40 PolarHBondContact O-N 3.16Å; I40-E43 PolarHBondContact O-N 3.46Å; I40-S44 WeakPolarHBondContact O-CB 3.42Å; I40-S44 PolarHBondContact O-N 3.02Å; I40-V259 HydrophobicContact CD1-CG1 4.33Å; I40-V259 HydrophobicContact CD1-CG2 4.35Å; I40-V259 HydrophobicContact CG2-CG2 4.47Å; I40-M275 HydrophobicContact CB-CE 4.34Å; I40-M275 HydrophobicContact CD1-CE 3.71Å; I40-M275 HydrophobicContact CG1-CE 3.52Å; I40-M275 HydrophobicContact CG2-CE 3.93Å; I40-M275 HydrophobicContact CG2-SD 3.91Å; I40-Q278 HydrophobicContact CD1-CG 4.36Å; I40-F313 HydrophobicContact CD1-CE1 4.5Å; I40-F313 HydrophobicContact CD1-CZ 3.76Å; I40-V337 HydrophobicContact CB-CG1 3.99Å; I40-V337 HydrophobicContact CD1-CG1 4.48Å; I40-V337 HydrophobicContact CG2-CG1 3.79Å; I40-V337 HydrophobicContact CG2-CG2 3.91Å
41	L	90.3	Very high	70.1	Confident	56 Å²	56	87.8 Å²	87.8	29%	0.293	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-49.5	176.2	-165.9	77.3	0	0	0	110.9	V37 A38 R39 S44 E45 V337	V37-L41 WeakPolarHBondContact O-CB 2.85Å; V37-L41 PolarHBondContact O-N 2.76Å; A38-L41 PolarHBondContact O-N 2.81Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 2.88Å; L41-S44 WeakPolarHBondContact O-CB 3.49Å; L41-S44 PolarHBondContact O-N 3.37Å; L41-S44 PolarHBondContact O-OG 3.46Å; L41-E45 WeakPolarHBondContact O-CG 3.34Å; L41-E45 PolarHBondContact O-N 3.1Å; L41-V337 HydrophobicContact CB-CG2 4.43Å; L41-V337 HydrophobicContact CD1-CB 4.37Å; L41-V337 HydrophobicContact CD1-CG2 3.9Å
42	K	89.6	Confident	69.5	Low	135 Å²	135	91.6 Å²	91.6	59%	0.587	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-45.3	176.9	-72.2	176.3	-179.5	-179.9	0	113.3	A38 R39 S44 E45 S46	A38-K42 WeakPolarHBondContact O-CG 3.3Å; A38-K42 PolarHBondContact O-N 3.19Å; R39-K42 PolarHBondContact O-N 3.44Å; K42-S44 VanDerWaalsContact C-N 3.27Å; K42-S44 PolarHBondContact O-N 3.27Å; K42-E45 PolarHBondContact O-N 2.7Å; K42-S46 PolarHBondContact O-N 3.45Å; K42-S46 VanDerWaalsContact O-N 3.11Å
43	E	87.2	Confident	68.6	Low	95 Å²	95	92.4 Å²	92.4	44%	0.444	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-43.2	174.8	-77	173.9	-169.2	0	0	110.1	R39 I40 S46	R39-E43 WeakPolarHBondContact CG-OE1 3.38Å; R39-E43 WeakPolarHBondContact O-CB 3.25Å; R39-E43 WeakPolarHBondContact O-CG 2.91Å; R39-E43 PolarHBondContact O-N 2.84Å; I40-E43 PolarHBondContact O-N 3.46Å; E43-S46 PolarHBondContact O-N 3.16Å; E43-S46 PolarHBondContact O-OG 3.34Å
44	S	82.9	Confident	67.5	Low	14 Å²	14	95.3 Å²	95.3	10%	0.098	50%	0.499	C	S	.	.	H	α-helix	trans	-58.3	-55.4	176.7	88.1	0	0	0	0	108.9	I40 L41 K42 S46 M47 R256	I40-S44 WeakPolarHBondContact O-CB 3.42Å; I40-S44 PolarHBondContact O-N 3.02Å; L41-S44 WeakPolarHBondContact O-CB 3.49Å; L41-S44 PolarHBondContact O-N 3.37Å; L41-S44 PolarHBondContact O-OG 3.46Å; K42-S44 VanDerWaalsContact C-N 3.27Å; K42-S44 PolarHBondContact O-N 3.27Å; S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 3.16Å; S44-M47 PolarHBondContact O-N 3.08Å; S44-M47 VanDerWaalsContact O-N 3.11Å; S44-R256 VanDerWaalsContact C-NH2 3.29Å; S44-R256 PolarHBondContact O-NE 2.89Å; S44-R256 PolarHBondContact O-NH2 3.11Å
45	E	80.9	Confident	65.6	Low	130 Å²	130	96 Å²	96	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-52.1	-35.7	178.8	-74.3	173.9	-177	0	0	114.1	L41 K42 M47 R256	L41-E45 WeakPolarHBondContact O-CG 3.34Å; L41-E45 PolarHBondContact O-N 3.1Å; K42-E45 PolarHBondContact O-N 2.7Å; E45-M47 PolarHBondContact O-N 3.17Å; E45-R256 PolarHBondContact O-NH2 3.11Å
46	S	75.9	Confident	62.7	Low	92 Å²	92	102.6 Å²	102.6	64%	0.643	53%	0.526	S	S	*	.	H	α-helix	trans	-71.4	-22.4	-180	75.7	0	0	0	0	115.2	K42 E43 S44 K48	K42-S46 PolarHBondContact O-N 3.45Å; K42-S46 VanDerWaalsContact O-N 3.11Å; E43-S46 PolarHBondContact O-N 3.16Å; E43-S46 PolarHBondContact O-OG 3.34Å; S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 3.16Å; S46-K48 PolarHBondContact O-N 2.86Å
47	M	63	Low	59.7	Low	131 Å²	131	108.9 Å²	108.9	65%	0.645	56%	0.557	S	S	*	*	S	Bend	trans	-77.4	119	-179.6	-60.6	-174.6	93.1	0	0	110.5	S44 E45 S49 R256	S44-M47 PolarHBondContact O-N 3.08Å; S44-M47 VanDerWaalsContact O-N 3.11Å; E45-M47 PolarHBondContact O-N 3.17Å; M47-S49 PolarHBondContact O-N 2.92Å; M47-R256 PolarHBondContact O-NH1 2.94Å; M47-R256 PolarHBondContact O-NH2 3.41Å
48	K	44.9	Very low	56.6	Low	204 Å²	204	113.8 Å²	113.8	89%	0.887	59%	0.587	S	S	*	*			trans	-62.4	130.1	174.2	-69.2	-175.9	178.2	-180	0	110	S46 T50	S46-K48 PolarHBondContact O-N 2.86Å; K48-T50 PolarHBondContact O-N 3.29Å
49	S	43.5	Very low	53.6	Low	95 Å²	95	118.1 Å²	118.1	66%	0.664	62%	0.623	S	S	*	*			trans	-59.7	112.7	-176	-173	0	0	0	0	111.8	M47 Q51	M47-S49 PolarHBondContact O-N 2.92Å; S49-Q51 PolarHBondContact O-N 2.93Å
50	T	36.8	Very low	50.4	Low	132 Å²	132	119.4 Å²	119.4	81%	0.81	64%	0.635	S	S	*	*			trans	-74.5	108.7	158.8	-42.3	0	0	0	0	106.4	K48 L52	K48-T50 PolarHBondContact O-N 3.29Å; T50-L52 PolarHBondContact O-N 3.2Å
51	Q	29.3	Very low	47.2	Very low	174 Å²	174	124.5 Å²	124.5	81%	0.813	67%	0.671	S	S	*	*			trans	-51.2	108.4	-178.9	-77.5	172.1	-17.6	0	0	111.2	S49	S49-Q51 PolarHBondContact O-N 2.93Å
52	L	32.1	Very low	44.2	Very low	139 Å²	139	127 Å²	127	73%	0.728	69%	0.693	S	S	*	*			trans	-96.6	108.2	157.4	-95.8	151.4	0	0	0	106.4	T50 V54	T50-L52 PolarHBondContact O-N 3.2Å; L52-V54 PolarHBondContact O-N 2.82Å
53	Q	25.2	Very low	41	Very low	178 Å²	178	132 Å²	132	83%	0.832	71%	0.708	S	S	*	*			trans	-65.7	99.6	170.3	-73.7	-179.4	-12.5	0	0	108.2	V55	Q53-V55 PolarHBondContact O-N 3.04Å
54	V	28.8	Very low	38.1	Very low	116 Å²	116	132.5 Å²	132.5	70%	0.703	72%	0.722	S	S	*	*			trans	-80	111.8	163.1	179.5	0	0	0	0	105.9	L52 E56	L52-V54 PolarHBondContact O-N 2.82Å; V54-E56 PolarHBondContact O-N 3.1Å; V54-E56 VanDerWaalsContact O-N 3.1Å
55	V	26.6	Very low	35.4	Very low	117 Å²	117	139.3 Å²	139.3	71%	0.709	76%	0.757	S	S	*	*			trans	-69	103.4	170	177.5	0	0	0	0	106.9	Q53 N57	Q53-V55 PolarHBondContact O-N 3.04Å; V55-N57 PolarHBondContact O-N 3.22Å
56	E	24.9	Very low	32.6	Very low	166 Å²	166	141.8 Å²	141.8	78%	0.776	77%	0.773	S	S	*	*			trans	-68.6	94.2	171.2	-74.4	-178.4	157.7	0	0	109.4	V54 V58	V54-E56 PolarHBondContact O-N 3.1Å; V54-E56 VanDerWaalsContact O-N 3.1Å; E56-V58 PolarHBondContact O-N 3.2Å
57	N	26.9	Very low	30.3	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	77%	0.774	S	S	*	*			trans	-80.5	95.8	160	-87.5	-11.6	0	0	0	108.3	V55 A59	V55-N57 PolarHBondContact O-N 3.22Å; N57-A59 PolarHBondContact O-N 3.37Å
58	V	24.5	Very low	28.5	Very low	115 Å²	115	144.5 Å²	144.5	70%	0.697	78%	0.784	S	S	*	*			trans	-67.4	92.5	170.7	179.7	0	0	0	0	108.5	E56 Q60	E56-V58 PolarHBondContact O-N 3.2Å; V58-Q60 HydrophobicContact CG1-CG 4.16Å
59	A	27.7	Very low	27.7	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	78%	0.784	S	S	*	*			trans	-95.3	96.7	162.2	0	0	0	0	0	108.4	N57 S61	N57-A59 PolarHBondContact O-N 3.37Å; A59-S61 PolarHBondContact O-N 3.33Å
60	Q	24	Very low	26.9	Very low	173 Å²	173	143.5 Å²	143.5	81%	0.808	79%	0.79	S	S	*	*			trans	-64.5	119.7	163.5	-72.6	171.8	-19.4	0	0	109.1	V58	V58-Q60 HydrophobicContact CG1-CG 4.16Å
61	S	26.3	Very low	26.5	Very low	109 Å²	109	142 Å²	142	76%	0.762	79%	0.785	S	S	*	*			trans	-165.2	119.5	141.1	-93.6	0	0	0	0	112.4	A59	A59-S61 PolarHBondContact O-N 3.33Å
62	S	27.2	Very low	26.6	Very low	108 Å²	108	139 Å²	139	76%	0.755	78%	0.783	S	S	*	*			trans	82.5	92.6	134.9	-50.2	0	0	0	0	118.5
63	R	22.1	Very low	26.3	Very low	241 Å²	241	138.5 Å²	138.5	91%	0.909	79%	0.786	S	S	*	*			trans	-54.6	159.8	141.6	-72.9	175.2	173.3	174.1	-3	111.2
64	S	26.1	Very low	26.3	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	78%	0.784	S	S	*	*			trans	78.5	123.2	-177.7	79.3	0	0	0	0	112.1
65	L	26.5	Very low	26.3	Very low	158 Å²	158	138 Å²	138	83%	0.827	79%	0.786	S	S	*	*				-143	121.1	58.2	-71.2	154.2	0	0	0	111.5
66	L	22.7	Very low	26.3	Very low	182 Å²	182	136.9 Å²	136.9	95%	0.953	78%	0.782	S	S	*	*			trans	-84.2	112.7	150.9	-73.8	165.3	0	0	0	106.1
67	S	27.8	Very low	26.6	Very low	94 Å²	94	136.1 Å²	136.1	66%	0.657	78%	0.782	S	S	*	*			trans	-167.1	109.3	153.5	52.7	0	0	0	0	108.3
68	E	24.5	Very low	26.6	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.864	79%	0.785	S	S	*	*			trans	21.8	119.5	136.6	-62	175.6	164.7	0	0	116.9
69	D	28	Very low	27.1	Very low	164 Å²	164	136.9 Å²	136.9	88%	0.877	79%	0.785	S	S	*	*				-144.4	128.1	129.1	-106.3	-27.6	0	0	0	111.4
70	S	26.7	Very low	27.5	Very low	114 Å²	114	135 Å²	135	80%	0.797	77%	0.769	S	S	*	*			trans	-89.5	103.8	-179.7	44.8	0	0	0	0	108.6
71	S	28.2	Very low	27.8	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	77%	0.77	S	S	*	*			trans	-153.5	77	158.3	69.4	0	0	0	0	110	T73	S71-T73 VanDerWaalsContact C-N 3.29Å; S71-T73 PolarHBondContact O-N 2.9Å
72	S	31.5	Very low	28.2	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	75%	0.754	S	S	*	*			trans	-69.5	91.8	165.6	60.9	0	0	0	0	108.5	K74	S72-K74 PolarHBondContact O-N 3.02Å
73	T	25.3	Very low	28.6	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	74%	0.739	S	S	*	*			trans	-61.3	106.9	163	-46.8	0	0	0	0	106.7	S71 S75	S71-T73 VanDerWaalsContact C-N 3.29Å; S71-T73 PolarHBondContact O-N 2.9Å; T73-S75 VanDerWaalsContact C-N 3.26Å; T73-S75 PolarHBondContact O-N 3.22Å
74	K	25.8	Very low	29.6	Very low	179 Å²	179	122.2 Å²	122.2	78%	0.778	73%	0.725	S	S	*	*			trans	-60.5	91.5	171.7	-72.3	177.4	178.5	176.1	0	107.9	S72 S76	S72-K74 PolarHBondContact O-N 3.02Å; K74-S76 PolarHBondContact O-N 3.18Å; K74-S76 PolarHBondContact O-OG 3.26Å
75	S	28.3	Very low	30.9	Very low	106 Å²	106	122.8 Å²	122.8	74%	0.741	73%	0.729	S	S	*	*			trans	-67.7	83.1	159.5	168.7	0	0	0	0	106.8	T73 I77	T73-S75 VanDerWaalsContact C-N 3.26Å; T73-S75 PolarHBondContact O-N 3.22Å; S75-I77 PolarHBondContact O-N 2.82Å
76	S	26.7	Very low	32.1	Very low	92 Å²	92	123.6 Å²	123.6	64%	0.643	73%	0.729	S	S	*	*			trans	-68.2	80.9	174.2	-56.7	0	0	0	0	109.3	K74 K78	K74-S76 PolarHBondContact O-N 3.18Å; K74-S76 PolarHBondContact O-OG 3.26Å; S76-K78 VanDerWaalsContact C-N 3.29Å; S76-K78 PolarHBondContact O-N 3.5Å; S76-K78 VanDerWaalsContact O-N 3.16Å
77	I	30.9	Very low	33.8	Very low	150 Å²	150	119.6 Å²	119.6	77%	0.769	71%	0.708	S	S	*	*			trans	-63.6	109.9	139.7	-61.3	175.6	0	0	0	102.6	S75 A79	S75-I77 PolarHBondContact O-N 2.82Å; I77-A79 PolarHBondContact O-N 2.76Å
78	K	26.8	Very low	35.5	Very low	194 Å²	194	116.3 Å²	116.3	84%	0.843	69%	0.685	S	S	*	*			trans	-54	92.8	177.7	-72.7	179.1	176.6	-179.9	0	107.8	S76 A80	S76-K78 VanDerWaalsContact C-N 3.29Å; S76-K78 PolarHBondContact O-N 3.5Å; S76-K78 VanDerWaalsContact O-N 3.16Å; K78-A80 PolarHBondContact O-N 2.8Å; K78-A80 VanDerWaalsContact O-N 3.08Å
79	A	35.6	Very low	37.6	Very low	83 Å²	83	108 Å²	108	69%	0.686	65%	0.647	S	S	*	*			trans	-54.2	116	154.5	0	0	0	0	0	103.8	I77 T81	I77-A79 PolarHBondContact O-N 2.76Å; A79-T81 PolarHBondContact O-N 3.36Å
80	A	35.6	Very low	39.7	Very low	58 Å²	58	101 Å²	101	48%	0.479	61%	0.608	S	S	.	*			trans	-52.1	110.2	175.7	0	0	0	0	0	107	K78 C82 C89	K78-A80 PolarHBondContact O-N 2.8Å; K78-A80 VanDerWaalsContact O-N 3.08Å; A80-C82 PolarHBondContact O-N 3.2Å; A80-C82 VanDerWaalsContact O-N 3.12Å; A80-C89 HydrophobicContact CB-CB 3.71Å
81	T	30.3	Very low	41.8	Very low	133 Å²	133	97.6 Å²	97.6	82%	0.816	58%	0.583	S	S	*	*			trans	-59.4	119.1	178.1	-40.1	0	0	0	0	106.4	A79 S83	A79-T81 PolarHBondContact O-N 3.36Å; T81-S83 PolarHBondContact O-N 2.77Å
82	C	36.1	Very low	43.9	Very low	63 Å²	63	96.9 Å²	96.9	43%	0.426	57%	0.571	S	S	.	*			trans	-54.9	113.3	-173.8	-148.1	0	0	0	0	110	A80 T84	A80-C82 PolarHBondContact O-N 3.2Å; A80-C82 VanDerWaalsContact O-N 3.12Å; C82-T84 PolarHBondContact O-N 2.81Å
83	S	36	Very low	45.8	Very low	64 Å²	64	97.7 Å²	97.7	45%	0.448	57%	0.567	S	S	.	*	B	Isolated β-bridge	trans	-90.3	97.2	173.1	45.3	0	0	0	0	108.5	T81 D87	T81-S83 PolarHBondContact O-N 2.77Å; S83-D87 PolarHBondContact OG-O 3.32Å
84	T	41.8	Very low	48.6	Very low	102 Å²	102	95.7 Å²	95.7	63%	0.626	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.7	167.5	169.7	65.2	0	0	0	0	116.6	C82 E86	C82-T84 PolarHBondContact O-N 2.81Å; T84-E86 PolarHBondContact O-N 2.98Å
85	S	53.6	Low	51.8	Low	117 Å²	117	87.6 Å²	87.6	82%	0.818	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.2	176.2	49.3	0	0	0	0	113.6
86	E	51.9	Low	55	Low	176 Å²	176	82.5 Å²	82.5	82%	0.822	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-23.9	-172.5	-66.3	-177.2	167.6	0	0	113.2	T84	T84-E86 PolarHBondContact O-N 2.98Å
87	D	58.1	Low	58.3	Low	97 Å²	97	78.1 Å²	78.1	52%	0.519	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-137	79.6	177.4	-160.2	10	0	0	0	111.4	S83 C89 T91	S83-D87 PolarHBondContact OG-O 3.32Å; D87-C89 PolarHBondContact O-N 2.86Å; D87-T91 PolarHBondContact OD1-OG1 3.16Å
88	P	63.7	Low	61.4	Low	25 Å²	25	71 Å²	71	16%	0.162	41%	0.413	C	S	.	.			trans	-61.4	133.8	-175.3	-10.9	20.7	0	0	0	110.8	W90 T91	P88-W90 VanDerWaalsContact CB-CD1 3.44Å; P88-W90 HydrophobicContact CB-CD2 4.27Å; P88-W90 HydrophobicContact CB-CG 4.11Å; P88-W90 HydrophobicContact CB-CZ2 4.31Å; P88-W90 HydrophobicContact CG-CZ2 4.24Å; P88-W90 PolarHBondContact O-N 3.41Å; P88-T91 HydrophobicContact CB-CG2 4.05Å; P88-T91 HydrophobicContact CG-CG2 3.79Å; P88-T91 PolarHBondContact O-N 3.35Å; P88-T91 PolarHBondContact O-OG1 2.87Å
89	C	68.7	Low	64.7	Low	10 Å²	10	61.8 Å²	61.8	7%	0.068	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-16.2	-178.4	63.5	0	0	0	0	115.7	A80 D87 N92	A80-C89 HydrophobicContact CB-CB 3.71Å; D87-C89 PolarHBondContact O-N 2.86Å; C89-N92 PolarHBondContact O-ND2 3.27Å
90	W	73.1	Confident	67.5	Low	18 Å²	18	57.8 Å²	57.8	7%	0.068	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-8.2	-178.7	64.3	-100.6	0	0	0	115	P88 N92 H96 F98 Y111 I120 F161	P88-W90 VanDerWaalsContact CB-CD1 3.44Å; P88-W90 HydrophobicContact CB-CD2 4.27Å; P88-W90 HydrophobicContact CB-CG 4.11Å; P88-W90 HydrophobicContact CB-CZ2 4.31Å; P88-W90 HydrophobicContact CG-CZ2 4.24Å; P88-W90 PolarHBondContact O-N 3.41Å; W90-N92 VanDerWaalsContact C-N 3.26Å; W90-N92 PolarHBondContact O-N 3.11Å; W90-H96 HydrophobicContact CB-CB 4.36Å; W90-H96 VanDerWaalsContact CB-CD2 3.4Å; W90-H96 WeakPolarHBondContact CB-CD2 3.44Å; W90-H96 WeakPolarHBondContact CB-NE2 3.33Å; W90-H96 AromaticContact CD2-CD2 3.63Å; W90-H96 AromaticContact CD2-NE2 3.97Å; W90-H96 AromaticContact CE3-CD2 3.57Å; W90-H96 AromaticContact CG-CD2 3.59Å; W90-H96 AromaticContact CG-NE2 3.58Å; W90-F98 AromaticContact CD2-CZ 3.95Å; W90-F98 HydrophobicContact CD2-CZ 3.95Å; W90-F98 HydrophobicContact CE3-CE2 4.4Å; W90-F98 AromaticContact CE3-CZ 3.92Å; W90-F98 HydrophobicContact CE3-CZ 3.92Å; W90-F98 HydrophobicContact CH2-CZ 4.19Å; W90-F98 HydrophobicContact CZ2-CZ 4.21Å; W90-F98 HydrophobicContact CZ3-CE2 4.4Å; W90-F98 HydrophobicContact CZ3-CZ 4.03Å; W90-Y111 HydrophobicContact CB-CD2 4.46Å; W90-I120 HydrophobicContact CZ2-CD1 3.79Å; W90-I120 HydrophobicContact CZ2-CG2 4.34Å; W90-F161 AromaticContact CE3-CD1 3.71Å; W90-F161 HydrophobicContact CE3-CD1 3.71Å; W90-F161 AromaticContact CE3-CE1 3.94Å; W90-F161 HydrophobicContact CE3-CE1 3.94Å; W90-F161 HydrophobicContact CE3-CG 4.25Å; W90-F161 HydrophobicContact CZ3-CB 4.49Å; W90-F161 AromaticContact CZ3-CD1 3.67Å; W90-F161 HydrophobicContact CZ3-CD1 3.67Å; W90-F161 HydrophobicContact CZ3-CD2 4.18Å; W90-F161 AromaticContact CZ3-CE1 3.8Å; W90-F161 HydrophobicContact CZ3-CE1 3.8Å; W90-F161 HydrophobicContact CZ3-CE2 4.27Å; W90-F161 AromaticContact CZ3-CG 3.84Å; W90-F161 HydrophobicContact CZ3-CG 3.84Å; W90-F161 HydrophobicContact CZ3-CZ 4.07Å
91	T	69.8	Low	70.3	Confident	42 Å²	42	55.1 Å²	55.1	26%	0.258	32%	0.318	S	S	.	.			trans	-79.2	-6.1	-179.4	57.9	0	0	0	0	114.3	D87 P88 K146	D87-T91 PolarHBondContact OD1-OG1 3.16Å; P88-T91 HydrophobicContact CB-CG2 4.05Å; P88-T91 HydrophobicContact CG-CG2 3.79Å; P88-T91 PolarHBondContact O-N 3.35Å; P88-T91 PolarHBondContact O-OG1 2.87Å; T91-K146 PolarHBondContact O-NZ 2.81Å
92	N	72.9	Confident	73.2	Confident	86 Å²	86	53.2 Å²	53.2	46%	0.46	30%	0.3	S	S	.	.	S	Bend	trans	-52.3	169	174.8	-73.9	-46.5	0	0	0	112.5	C89 W90 L94 K146	C89-N92 PolarHBondContact O-ND2 3.27Å; W90-N92 VanDerWaalsContact C-N 3.26Å; W90-N92 PolarHBondContact O-N 3.11Å; N92-L94 HydrophobicContact CB-CD1 4.49Å; N92-L94 HydrophobicContact CB-CG 4.32Å; N92-L94 PolarHBondContact O-N 2.85Å; N92-K146 PolarHBondContact O-NZ 3.39Å
93	D	71.1	Confident	75.8	Confident	127 Å²	127	52.6 Å²	52.6	68%	0.679	30%	0.299	S	S	*	.	S	Bend	trans	-67.7	24.7	176.4	-73.7	-31.6	0	0	0	114.9	K146 P163	D93-K146 IonicContact OD1-NZ 3.27Å; D93-K146 PolarHBondContact OD1-NZ 3.23Å; D93-P163 HydrophobicContact CB-CG 4.43Å; D93-P163 WeakPolarHBondContact O-CG 3.19Å
94	L	84	Confident	78.4	Confident	88 Å²	88	49.8 Å²	49.8	46%	0.461	28%	0.28	S	S	.	.	S	Bend	trans	-103.5	148.1	-178.6	-57.8	178	0	0	0	110.1	N92 H96 Y111	N92-L94 HydrophobicContact CB-CD1 4.49Å; N92-L94 HydrophobicContact CB-CG 4.32Å; N92-L94 PolarHBondContact O-N 2.85Å; L94-H96 PolarHBondContact O-N 3.29Å; L94-Y111 HydrophobicContact CB-CE2 3.9Å; L94-Y111 HydrophobicContact CD1-CE2 4.35Å
95	L	93.1	Very high	80.7	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	27%	0.266	C	S	.	.			trans	-66.1	121.2	169.7	171.3	61.7	0	0	0	109.4	I97 R110 Y111 A160 L171 I218 E222	L95-I97 HydrophobicContact CD1-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CD1 4.29Å; L95-I97 HydrophobicContact CG-CD1 4Å; L95-I97 HydrophobicContact CG-CG1 4.41Å; L95-R110 VanDerWaalsContact O-CD 3.29Å; L95-R110 WeakPolarHBondContact O-CD 3.44Å; L95-R110 PolarHBondContact O-NH1 3.46Å; L95-Y111 WeakPolarHBondContact O-CE2 3.12Å; L95-A160 HydrophobicContact CD1-CB 4.07Å; L95-L171 HydrophobicContact CD1-CD2 3.54Å; L95-L171 HydrophobicContact CD2-CD2 4.24Å; L95-I218 HydrophobicContact CD2-CG2 4.46Å; L95-E222 WeakPolarHBondContact CB-OE1 3.33Å; L95-E222 HydrophobicContact CD2-CG 4.39Å
96	H	95.7	Very high	82.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.1	174.1	-174	50.4	0	0	0	110.5	W90 L94 F98 S109 Y111 F161	W90-H96 HydrophobicContact CB-CB 4.36Å; W90-H96 VanDerWaalsContact CB-CD2 3.4Å; W90-H96 WeakPolarHBondContact CB-CD2 3.44Å; W90-H96 WeakPolarHBondContact CB-NE2 3.33Å; W90-H96 AromaticContact CD2-CD2 3.63Å; W90-H96 AromaticContact CD2-NE2 3.97Å; W90-H96 AromaticContact CE3-CD2 3.57Å; W90-H96 AromaticContact CG-CD2 3.59Å; W90-H96 AromaticContact CG-NE2 3.58Å; L94-H96 PolarHBondContact O-N 3.29Å; H96-F98 AromaticContact CD2-CD2 3.88Å; H96-F98 AromaticContact CD2-CE1 3.69Å; H96-F98 AromaticContact CD2-CE2 3.14Å; H96-F98 WeakPolarHBondContact CD2-CE2 3.46Å; H96-F98 AromaticContact CD2-CZ 3.04Å; H96-F98 WeakPolarHBondContact CD2-CZ 3.33Å; H96-F98 AromaticContact NE2-CD1 3.84Å; H96-F98 AromaticContact NE2-CE1 3.26Å; H96-F98 VanDerWaalsContact NE2-CE1 3.26Å; H96-F98 WeakPolarHBondContact NE2-CE1 3.28Å; H96-F98 AromaticContact NE2-CE2 3.64Å; H96-F98 AromaticContact NE2-CZ 3.17Å; H96-F98 WeakPolarHBondContact NE2-CZ 3.36Å; H96-S109 PolarHBondContact CE1-OG 3.14Å; H96-S109 PolarHBondContact NE2-OG 3.28Å; H96-Y111 HydrophobicContact CB-CD2 4.09Å; H96-Y111 HydrophobicContact CB-CE2 4.47Å; H96-Y111 PolarHBondContact CE1-N 2.96Å; H96-Y111 PolarHBondContact CE1-O 3.08Å; H96-Y111 AromaticContact CG-CD2 4Å; H96-Y111 AromaticContact ND1-CD2 3.39Å; H96-Y111 WeakPolarHBondContact ND1-CD2 3.33Å; H96-Y111 AromaticContact ND1-CG 3.88Å; H96-Y111 PolarHBondContact ND1-N 2.84Å; H96-F161 HydrophobicContact CB-CB 4.32Å; H96-F161 HydrophobicContact CB-CD1 4.23Å; H96-F161 PolarHBondContact N-O 3.46Å; H96-F161 PolarHBondContact O-N 3.4Å
97	I	96.4	Very high	84.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.7	-177.9	-56.2	-60.7	0	0	0	108.7	L95 R110 V159 A160 L175 V178 I218	L95-I97 HydrophobicContact CD1-CD1 3.79Å; L95-I97 HydrophobicContact CD2-CD1 4.29Å; L95-I97 HydrophobicContact CG-CD1 4Å; L95-I97 HydrophobicContact CG-CG1 4.41Å; I97-R110 HydrophobicContact CB-CB 4.39Å; I97-R110 PolarHBondContact O-N 3.18Å; I97-V159 WeakPolarHBondContact CA-O 3.42Å; I97-A160 HydrophobicContact CD1-CB 3.72Å; I97-L175 HydrophobicContact CD1-CD2 3.88Å; I97-L175 HydrophobicContact CG2-CD2 4.09Å; I97-V178 HydrophobicContact CG2-CG1 4.45Å; I97-V178 HydrophobicContact CG2-CG2 4.35Å; I97-I218 HydrophobicContact CB-CD1 3.84Å; I97-I218 HydrophobicContact CG1-CD1 3.69Å; I97-I218 HydrophobicContact CG1-CG1 4.13Å; I97-I218 HydrophobicContact CG1-CG2 4.29Å; I97-I218 HydrophobicContact CG2-CD1 4.31Å
98	F	95.9	Very high	86.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.7	169.5	-52.8	-99.6	0	0	0	109.3	W90 H96 Y108 L117 I120 M121 M124 V159 F161	W90-F98 AromaticContact CD2-CZ 3.95Å; W90-F98 HydrophobicContact CD2-CZ 3.95Å; W90-F98 HydrophobicContact CE3-CE2 4.4Å; W90-F98 AromaticContact CE3-CZ 3.92Å; W90-F98 HydrophobicContact CE3-CZ 3.92Å; W90-F98 HydrophobicContact CH2-CZ 4.19Å; W90-F98 HydrophobicContact CZ2-CZ 4.21Å; W90-F98 HydrophobicContact CZ3-CE2 4.4Å; W90-F98 HydrophobicContact CZ3-CZ 4.03Å; H96-F98 AromaticContact CD2-CD2 3.88Å; H96-F98 AromaticContact CD2-CE1 3.69Å; H96-F98 AromaticContact CD2-CE2 3.14Å; H96-F98 WeakPolarHBondContact CD2-CE2 3.46Å; H96-F98 AromaticContact CD2-CZ 3.04Å; H96-F98 WeakPolarHBondContact CD2-CZ 3.33Å; H96-F98 AromaticContact NE2-CD1 3.84Å; H96-F98 AromaticContact NE2-CE1 3.26Å; H96-F98 VanDerWaalsContact NE2-CE1 3.26Å; H96-F98 WeakPolarHBondContact NE2-CE1 3.28Å; H96-F98 AromaticContact NE2-CE2 3.64Å; H96-F98 AromaticContact NE2-CZ 3.17Å; H96-F98 WeakPolarHBondContact NE2-CZ 3.36Å; F98-Y108 WeakPolarHBondContact CA-O 3.06Å; F98-L117 HydrophobicContact CE1-CD1 4.3Å; F98-I120 HydrophobicContact CE1-CG2 4.45Å; F98-M121 HydrophobicContact CB-CE 4.12Å; F98-M121 HydrophobicContact CD1-CE 3.59Å; F98-M121 HydrophobicContact CD1-CG 3.95Å; F98-M121 HydrophobicContact CD1-SD 4.47Å; F98-M121 HydrophobicContact CG-CE 4.35Å; F98-M124 HydrophobicContact CD2-CE 3.92Å; F98-M124 HydrophobicContact CD2-SD 4.24Å; F98-M124 HydrophobicContact CE1-CE 4.36Å; F98-M124 HydrophobicContact CE2-CE 3.66Å; F98-M124 HydrophobicContact CG-CE 4.36Å; F98-M124 HydrophobicContact CG-SD 4.23Å; F98-M124 HydrophobicContact CZ-CE 3.88Å; F98-V159 HydrophobicContact CB-CB 4.18Å; F98-V159 HydrophobicContact CD2-CB 4.27Å; F98-V159 PolarHBondContact N-O 2.7Å; F98-V159 PolarHBondContact O-N 3.2Å; F98-F161 HydrophobicContact CE2-CB 4.13Å
99	V	96	Very high	87.6	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.2	164.8	-173.6	0	0	0	0	107.5	I107 Y108 L158 V178 I182	V99-I107 HydrophobicContact CB-CB 4.26Å; V99-I107 HydrophobicContact CG1-CB 4.06Å; V99-I107 HydrophobicContact CG1-CD1 4.3Å; V99-I107 HydrophobicContact CG1-CG2 4.17Å; V99-I107 WeakPolarHBondContact O-CA 3.12Å; V99-I107 WeakPolarHBondContact O-CB 3.49Å; V99-I107 PolarHBondContact O-N 3.33Å; V99-Y108 HydrophobicContact CG2-CD1 4.18Å; V99-Y108 PolarHBondContact N-O 3.49Å; V99-Y108 PolarHBondContact O-N 2.88Å; V99-L158 HydrophobicContact CG1-CG 4.44Å; V99-L158 HydrophobicContact CG2-CD2 4.3Å; V99-L158 HydrophobicContact CG2-CG 4.45Å; V99-V178 HydrophobicContact CG2-CG1 3.76Å; V99-I182 HydrophobicContact CG1-CD1 3.97Å; V99-I182 HydrophobicContact CG2-CD1 4.42Å
100	L	94.8	Very high	88.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.5	178.8	65.6	162.2	0	0	0	109.8	K105 M121 Q125 I157 V159	L100-K105 CarbonylContact C-O 3.59Å; L100-K105 VanDerWaalsContact CA-O 3.26Å; L100-K105 WeakPolarHBondContact CA-O 3.28Å; L100-K105 WeakPolarHBondContact CB-O 3.45Å; L100-M121 HydrophobicContact CB-CB 4.38Å; L100-M121 HydrophobicContact CB-SD 4.02Å; L100-M121 HydrophobicContact CD1-CB 3.97Å; L100-M121 WeakPolarHBondContact CD1-O 3.41Å; L100-Q125 HydrophobicContact CD1-CB 3.84Å; L100-I157 HydrophobicContact CD1-CD1 4.49Å; L100-I157 HydrophobicContact CD2-CB 3.77Å; L100-I157 HydrophobicContact CD2-CG2 3.88Å; L100-I157 VanDerWaalsContact CD2-O 3.29Å; L100-I157 WeakPolarHBondContact CD2-O 3.33Å; L100-I157 HydrophobicContact CG-CB 3.9Å; L100-I157 HydrophobicContact CG-CG2 4.44Å; L100-I157 PolarHBondContact N-O 2.93Å; L100-I157 PolarHBondContact O-N 3.45Å; L100-V159 HydrophobicContact CD2-CG2 3.99Å
101	S	93.2	Very high	89.6	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	163.3	172.1	62.3	0	0	0	0	111.4	A103 G104 K105 H155	S101-A103 PolarHBondContact O-N 2.94Å; S101-A103 VanDerWaalsContact O-N 3.15Å; S101-A103 PolarHBondContact OG-N 2.75Å; S101-G104 PolarHBondContact O-N 3.3Å; S101-K105 PolarHBondContact N-O 3.4Å; S101-K105 WeakPolarHBondContact OG-CB 3.29Å; S101-K105 PolarHBondContact OG-N 2.92Å; S101-K105 PolarHBondContact OG-O 3.46Å; S101-H155 WeakPolarHBondContact CA-O 3.36Å
102	E	91.9	Very high	90.5	Very high	94 Å²	94	32 Å²	32	44%	0.439	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.1	169	-81	173.9	-179	0	0	113.7	G104 Q125 H155	E102-G104 VanDerWaalsContact C-N 3.26Å; E102-G104 PolarHBondContact O-N 3.37Å; E102-Q125 WeakPolarHBondContact O-CG 3.38Å; E102-Q125 PolarHBondContact O-NE2 3.09Å; E102-H155 VanDerWaalsContact CD-CA 3.45Å; E102-H155 PolarHBondContact N-O 2.95Å; E102-H155 WeakPolarHBondContact OE1-CA 3.42Å; E102-H155 IonicContact OE1-ND1 3.9Å; E102-H155 IonicContact OE2-CE1 3.9Å; E102-H155 IonicContact OE2-CG 3.78Å; E102-H155 IonicContact OE2-ND1 2.89Å; E102-H155 PolarHBondContact OE2-ND1 2.94Å
103	A	89.4	Confident	91.2	Very high	49 Å²	49	31.4 Å²	31.4	41%	0.405	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	1.1	174.6	0	0	0	0	0	113.6	S101 K105	S101-A103 PolarHBondContact O-N 2.94Å; S101-A103 VanDerWaalsContact O-N 3.15Å; S101-A103 PolarHBondContact OG-N 2.75Å; A103-K105 VanDerWaalsContact C-N 3.33Å; A103-K105 PolarHBondContact O-N 3.09Å
104	G	90.8	Very high	92.1	Very high	5 Å²	5	26.2 Å²	26.2	5%	0.052	14%	0.144	C	C	.	.			trans	86.5	-1.3	179	0	0	0	0	0	114.4	S101 E102	S101-G104 PolarHBondContact O-N 3.3Å; E102-G104 VanDerWaalsContact C-N 3.26Å; E102-G104 PolarHBondContact O-N 3.37Å
105	K	91.1	Very high	92.3	Very high	74 Å²	74	25.4 Å²	25.4	32%	0.322	15%	0.145	S	C	.	.			trans	-68.3	132.1	179.5	-60.9	-166.8	169.5	-160	0	111.2	L100 S101 A103 N200	L100-K105 CarbonylContact C-O 3.59Å; L100-K105 VanDerWaalsContact CA-O 3.26Å; L100-K105 WeakPolarHBondContact CA-O 3.28Å; L100-K105 WeakPolarHBondContact CB-O 3.45Å; S101-K105 PolarHBondContact N-O 3.4Å; S101-K105 WeakPolarHBondContact OG-CB 3.29Å; S101-K105 PolarHBondContact OG-N 2.92Å; S101-K105 PolarHBondContact OG-O 3.46Å; A103-K105 VanDerWaalsContact C-N 3.33Å; A103-K105 PolarHBondContact O-N 3.09Å; K105-N200 WeakPolarHBondContact CD-O 3.44Å; K105-N200 VanDerWaalsContact CE-O 3.22Å; K105-N200 WeakPolarHBondContact CE-O 3.32Å; K105-N200 PolarHBondContact NZ-O 3.14Å
106	P	92.5	Very high	92.1	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.065	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.3	-179.3	32.9	-37.9	0	0	0	110.8	E114 M121 R204	P106-E114 HydrophobicContact CB-CB 4.07Å; P106-E114 HydrophobicContact CG-CB 4.47Å; P106-M121 WeakPolarHBondContact CA-SD 3.46Å; P106-M121 HydrophobicContact CB-CE 4.05Å; P106-M121 HydrophobicContact CB-SD 3.31Å; P106-M121 WeakPolarHBondContact CB-SD 3.16Å; P106-R204 VanDerWaalsContact O-CD 3.29Å; P106-R204 WeakPolarHBondContact O-CD 3.19Å; P106-R204 PolarHBondContact O-NE 3.43Å
107	I	92	Very high	91.9	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-43.4	179.7	-63.3	170.2	0	0	0	110.8	V99 L156 F195 L203 R204 L207	V99-I107 HydrophobicContact CB-CB 4.26Å; V99-I107 HydrophobicContact CG1-CB 4.06Å; V99-I107 HydrophobicContact CG1-CD1 4.3Å; V99-I107 HydrophobicContact CG1-CG2 4.17Å; V99-I107 WeakPolarHBondContact O-CA 3.12Å; V99-I107 WeakPolarHBondContact O-CB 3.49Å; V99-I107 PolarHBondContact O-N 3.33Å; I107-L156 HydrophobicContact CD1-CD2 3.47Å; I107-L156 VanDerWaalsContact CD1-CD2 3.47Å; I107-F195 HydrophobicContact CD1-CZ 4.47Å; I107-L203 HydrophobicContact CD1-CB 4.16Å; I107-L203 HydrophobicContact CD1-CD1 3.93Å; I107-L203 HydrophobicContact CD1-CG 4.45Å; I107-L203 HydrophobicContact CG1-CB 4.21Å; I107-L203 HydrophobicContact CG2-CB 4.24Å; I107-R204 WeakPolarHBondContact O-CG 3.39Å; I107-L207 HydrophobicContact CG2-CD1 3.75Å
108	Y	93.8	Very high	91.7	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	144.2	179.4	171.5	-100.2	0	0	0	111.1	F98 V99 R110 M121 N211 L214 S215 I218	F98-Y108 WeakPolarHBondContact CA-O 3.06Å; V99-Y108 HydrophobicContact CG2-CD1 4.18Å; V99-Y108 PolarHBondContact N-O 3.49Å; V99-Y108 PolarHBondContact O-N 2.88Å; Y108-R110 HydrophobicContact CE1-CB 4.09Å; Y108-R110 WeakPolarHBondContact OH-CA 3.44Å; Y108-M121 VanDerWaalsContact O-CE 3.26Å; Y108-M121 WeakPolarHBondContact O-CE 3.42Å; Y108-N211 HydrophobicContact CE2-CB 4.35Å; Y108-L214 HydrophobicContact CD1-CB 4.42Å; Y108-L214 HydrophobicContact CD1-CD1 4.16Å; Y108-L214 HydrophobicContact CD2-CB 3.99Å; Y108-L214 HydrophobicContact CD2-CD1 3.65Å; Y108-L214 HydrophobicContact CD2-CG 4.44Å; Y108-L214 HydrophobicContact CE1-CB 4.15Å; Y108-L214 HydrophobicContact CE2-CB 3.69Å; Y108-L214 HydrophobicContact CE2-CD1 4.25Å; Y108-L214 HydrophobicContact CG-CB 4.33Å; Y108-L214 HydrophobicContact CG-CD1 3.58Å; Y108-S215 VanDerWaalsContact OH-CA 3.31Å; Y108-S215 WeakPolarHBondContact OH-CA 3.48Å; Y108-S215 PolarHBondContact OH-N 3.32Å; Y108-S215 PolarHBondContact OH-OG 3.4Å; Y108-I218 HydrophobicContact CE1-CD1 3.72Å
109	S	93.3	Very high	91.6	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.6	167.9	-171.7	0	0	0	0	109.9	H96 Y111 E114 L117	H96-S109 PolarHBondContact CE1-OG 3.14Å; H96-S109 PolarHBondContact NE2-OG 3.28Å; S109-Y111 VanDerWaalsContact C-N 3.3Å; S109-Y111 PolarHBondContact O-N 3.15Å; S109-Y111 PolarHBondContact OG-O 3.16Å; S109-E114 PolarHBondContact N-OE1 3.33Å; S109-L117 WeakPolarHBondContact OG-CD1 3.15Å
110	R	92.6	Very high	91.5	Very high	21 Å²	21	38.9 Å²	38.9	8%	0.079	23%	0.226	C	C	.	.	S	Bend	trans	-64.4	-35.3	179.6	-172	-172.9	-174.3	-175.4	1.5	113.2	L95 I97 Y108 I218 N219 E222	L95-R110 VanDerWaalsContact O-CD 3.29Å; L95-R110 WeakPolarHBondContact O-CD 3.44Å; L95-R110 PolarHBondContact O-NH1 3.46Å; I97-R110 HydrophobicContact CB-CB 4.39Å; I97-R110 PolarHBondContact O-N 3.18Å; Y108-R110 HydrophobicContact CE1-CB 4.09Å; Y108-R110 WeakPolarHBondContact OH-CA 3.44Å; R110-I218 HydrophobicContact CB-CD1 4.35Å; R110-I218 HydrophobicContact CG-CD1 4.17Å; R110-N219 PolarHBondContact NH2-OD1 3.41Å; R110-E222 IonicContact CZ-OE1 3.51Å; R110-E222 IonicContact CZ-OE2 2.61Å; R110-E222 VanDerWaalsContact NH1-CD 3.28Å; R110-E222 IonicContact NH1-OE1 3.25Å; R110-E222 PolarHBondContact NH1-OE1 2.99Å; R110-E222 IonicContact NH1-OE2 3.71Å; R110-E222 PolarHBondContact NH1-OE2 2.76Å; R110-E222 IonicContact NH2-OE1 3.54Å; R110-E222 IonicContact NH2-OE2 3.58Å; R110-E222 PolarHBondContact NH2-OE2 2.84Å
111	Y	91	Very high	91.5	Very high	64 Å²	64	38.9 Å²	38.9	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-135.7	137.7	-175.8	-56.3	-54.2	0	0	0	108.9	W90 L94 L95 H96 S109 L117	W90-Y111 HydrophobicContact CB-CD2 4.46Å; L94-Y111 HydrophobicContact CB-CE2 3.9Å; L94-Y111 HydrophobicContact CD1-CE2 4.35Å; L95-Y111 WeakPolarHBondContact O-CE2 3.12Å; H96-Y111 HydrophobicContact CB-CD2 4.09Å; H96-Y111 HydrophobicContact CB-CE2 4.47Å; H96-Y111 PolarHBondContact CE1-N 2.96Å; H96-Y111 PolarHBondContact CE1-O 3.08Å; H96-Y111 AromaticContact CG-CD2 4Å; H96-Y111 AromaticContact ND1-CD2 3.39Å; H96-Y111 WeakPolarHBondContact ND1-CD2 3.33Å; H96-Y111 AromaticContact ND1-CG 3.88Å; H96-Y111 PolarHBondContact ND1-N 2.84Å; S109-Y111 VanDerWaalsContact C-N 3.3Å; S109-Y111 PolarHBondContact O-N 3.15Å; S109-Y111 PolarHBondContact OG-O 3.16Å; Y111-L117 WeakPolarHBondContact O-CD1 3.31Å
112	G	88.3	Confident	91.6	Very high	33 Å²	33	41.2 Å²	41.2	34%	0.34	24%	0.243	S	C	.	.	S	Bend	trans	77.3	172.3	-172.9	0	0	0	0	0	113.3
113	N	88.2	Confident	91.9	Very high	74 Å²	74	41 Å²	41	40%	0.396	25%	0.248	S	C	.	.			trans	-86.7	139.2	179.1	-170.8	-77.3	0	0	0	110.8	S115 D116 L117	N113-S115 VanDerWaalsContact C-N 3.26Å; N113-S115 PolarHBondContact O-N 3.43Å; N113-S115 WeakPolarHBondContact OD1-CB 3.43Å; N113-S115 PolarHBondContact OD1-N 3.19Å; N113-S115 PolarHBondContact OD1-OG 2.91Å; N113-D116 HydrophobicContact CB-CB 4.36Å; N113-D116 WeakPolarHBondContact CB-OD2 3.3Å; N113-D116 PolarHBondContact O-N 3.29Å; N113-L117 WeakPolarHBondContact O-CG 3.47Å; N113-L117 PolarHBondContact O-N 2.88Å
114	E	89.4	Confident	92.2	Very high	18 Å²	18	39.1 Å²	39.1	8%	0.084	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.2	178.8	-68.8	85.8	174.4	0	0	113.2	P106 S109 L117 S118 N211	P106-E114 HydrophobicContact CB-CB 4.07Å; P106-E114 HydrophobicContact CG-CB 4.47Å; S109-E114 PolarHBondContact N-OE1 3.33Å; E114-L117 PolarHBondContact O-N 3.33Å; E114-S118 PolarHBondContact O-N 2.93Å; E114-N211 PolarHBondContact OE1-ND2 3.47Å
115	S	88.2	Confident	92.5	Very high	71 Å²	71	41.1 Å²	41.1	50%	0.497	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-39.5	-178.9	-49.9	0	0	0	0	111.7	N113 L117 S118	N113-S115 VanDerWaalsContact C-N 3.26Å; N113-S115 PolarHBondContact O-N 3.43Å; N113-S115 WeakPolarHBondContact OD1-CB 3.43Å; N113-S115 PolarHBondContact OD1-N 3.19Å; N113-S115 PolarHBondContact OD1-OG 2.91Å; S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 3.33Å; S115-S118 VanDerWaalsContact O-CB 3.28Å; S115-S118 WeakPolarHBondContact O-CB 3.49Å; S115-S118 PolarHBondContact O-N 3.31Å
116	D	89.6	Confident	92.9	Very high	110 Å²	110	40 Å²	40	59%	0.588	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-28.7	178.2	-61.1	-22	0	0	0	111.8	N113	N113-D116 HydrophobicContact CB-CB 4.36Å; N113-D116 WeakPolarHBondContact CB-OD2 3.3Å; N113-D116 PolarHBondContact O-N 3.29Å
117	L	91.1	Very high	93.1	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.047	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	6.2	-178.1	-60.9	175.1	0	0	0	113.6	F98 S109 Y111 N113 E114 S115 S119 I120 M121	F98-L117 HydrophobicContact CE1-CD1 4.3Å; S109-L117 WeakPolarHBondContact OG-CD1 3.15Å; Y111-L117 WeakPolarHBondContact O-CD1 3.31Å; N113-L117 WeakPolarHBondContact O-CG 3.47Å; N113-L117 PolarHBondContact O-N 2.88Å; E114-L117 PolarHBondContact O-N 3.33Å; S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 3.33Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 2.79Å; L117-I120 HydrophobicContact CD2-CD1 3.74Å; L117-I120 PolarHBondContact O-N 2.99Å; L117-M121 PolarHBondContact O-N 3.49Å
118	S	92.4	Very high	93.4	Very high	42 Å²	42	43.7 Å²	43.7	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-38.5	-177.3	-176.9	0	0	0	0	113.1	E114 S115 M121 S122	E114-S118 PolarHBondContact O-N 2.93Å; S115-S118 VanDerWaalsContact O-CB 3.28Å; S115-S118 WeakPolarHBondContact O-CB 3.49Å; S115-S118 PolarHBondContact O-N 3.31Å; S118-M121 PolarHBondContact O-N 3.48Å; S118-S122 WeakPolarHBondContact O-CB 3.35Å; S118-S122 PolarHBondContact O-N 2.89Å; S118-S122 PolarHBondContact O-OG 3.18Å
119	S	94.4	Very high	93.5	Very high	82 Å²	82	45.7 Å²	45.7	57%	0.573	28%	0.277	S	S	*	.	H	α-helix	trans	-63.7	-43.4	178.1	57.7	0	0	0	0	112.1	L117 S122 V123	L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 2.79Å; S119-S122 WeakPolarHBondContact O-CB 3.48Å; S119-S122 PolarHBondContact O-N 3Å; S119-V123 WeakPolarHBondContact O-CG2 3.43Å; S119-V123 PolarHBondContact O-N 3.27Å
120	I	93.7	Very high	93.7	Very high	47 Å²	47	52.9 Å²	52.9	24%	0.241	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-46.2	178	-68.3	154.7	0	0	0	110.5	W90 F98 L117 S122 V123 M124	W90-I120 HydrophobicContact CZ2-CD1 3.79Å; W90-I120 HydrophobicContact CZ2-CG2 4.34Å; F98-I120 HydrophobicContact CE1-CG2 4.45Å; L117-I120 HydrophobicContact CD2-CD1 3.74Å; L117-I120 PolarHBondContact O-N 2.99Å; I120-S122 VanDerWaalsContact C-N 3.28Å; I120-S122 PolarHBondContact O-N 3Å; I120-V123 PolarHBondContact O-N 3.48Å; I120-M124 HydrophobicContact CG2-CE 3.65Å; I120-M124 HydrophobicContact CG2-SD 4.38Å; I120-M124 WeakPolarHBondContact O-CG 3.49Å; I120-M124 PolarHBondContact O-N 2.96Å
121	M	95.4	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-37	176.4	-70.2	-166.7	-166.1	0	0	111.6	F98 L100 P106 Y108 L117 S118 V123 M124 Q125	F98-M121 HydrophobicContact CB-CE 4.12Å; F98-M121 HydrophobicContact CD1-CE 3.59Å; F98-M121 HydrophobicContact CD1-CG 3.95Å; F98-M121 HydrophobicContact CD1-SD 4.47Å; F98-M121 HydrophobicContact CG-CE 4.35Å; L100-M121 HydrophobicContact CB-CB 4.38Å; L100-M121 HydrophobicContact CB-SD 4.02Å; L100-M121 HydrophobicContact CD1-CB 3.97Å; L100-M121 WeakPolarHBondContact CD1-O 3.41Å; P106-M121 WeakPolarHBondContact CA-SD 3.46Å; P106-M121 HydrophobicContact CB-CE 4.05Å; P106-M121 HydrophobicContact CB-SD 3.31Å; P106-M121 WeakPolarHBondContact CB-SD 3.16Å; Y108-M121 VanDerWaalsContact O-CE 3.26Å; Y108-M121 WeakPolarHBondContact O-CE 3.42Å; L117-M121 PolarHBondContact O-N 3.49Å; S118-M121 PolarHBondContact O-N 3.48Å; M121-V123 PolarHBondContact O-N 3.02Å; M121-M124 WeakPolarHBondContact O-CB 3.43Å; M121-M124 PolarHBondContact O-N 3.43Å; M121-Q125 PolarHBondContact O-N 3.47Å
122	S	95.1	Very high	94.3	Very high	50 Å²	50	52.9 Å²	52.9	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-40.8	174.4	-59.6	0	0	0	0	112.1	S118 S119 I120 Q125 A126	S118-S122 WeakPolarHBondContact O-CB 3.35Å; S118-S122 PolarHBondContact O-N 2.89Å; S118-S122 PolarHBondContact O-OG 3.18Å; S119-S122 WeakPolarHBondContact O-CB 3.48Å; S119-S122 PolarHBondContact O-N 3Å; I120-S122 VanDerWaalsContact C-N 3.28Å; I120-S122 PolarHBondContact O-N 3Å; S122-Q125 PolarHBondContact O-N 3.39Å; S122-A126 WeakPolarHBondContact O-CB 3.27Å; S122-A126 PolarHBondContact O-N 3.35Å
123	V	96.8	Very high	94.6	Very high	90 Å²	90	57.7 Å²	57.7	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174	173.8	0	0	0	0	111.2	S119 I120 M121 Q125 A126 L127	S119-V123 WeakPolarHBondContact O-CG2 3.43Å; S119-V123 PolarHBondContact O-N 3.27Å; I120-V123 PolarHBondContact O-N 3.48Å; M121-V123 PolarHBondContact O-N 3.02Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.03Å; V123-A126 PolarHBondContact O-N 3.4Å; V123-L127 HydrophobicContact CG1-CD1 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.23Å; V123-L127 PolarHBondContact O-N 2.83Å
124	M	97.5	Very high	95	Very high	9 Å²	9	58.5 Å²	58.5	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-57.9	-45.9	175.1	-71.7	173.3	179.4	0	0	111.7	F98 I120 M121 L127 V128 F148 F150 V159	F98-M124 HydrophobicContact CD2-CE 3.92Å; F98-M124 HydrophobicContact CD2-SD 4.24Å; F98-M124 HydrophobicContact CE1-CE 4.36Å; F98-M124 HydrophobicContact CE2-CE 3.66Å; F98-M124 HydrophobicContact CG-CE 4.36Å; F98-M124 HydrophobicContact CG-SD 4.23Å; F98-M124 HydrophobicContact CZ-CE 3.88Å; I120-M124 HydrophobicContact CG2-CE 3.65Å; I120-M124 HydrophobicContact CG2-SD 4.38Å; I120-M124 WeakPolarHBondContact O-CG 3.49Å; I120-M124 PolarHBondContact O-N 2.96Å; M121-M124 WeakPolarHBondContact O-CB 3.43Å; M121-M124 PolarHBondContact O-N 3.43Å; M124-L127 PolarHBondContact O-N 3.44Å; M124-V128 WeakPolarHBondContact O-CG2 3.41Å; M124-V128 PolarHBondContact O-N 2.82Å; M124-F148 HydrophobicContact CE-CD1 3.99Å; M124-F148 HydrophobicContact CE-CE1 3.72Å; M124-F150 HydrophobicContact CB-CE1 4.09Å; M124-F150 HydrophobicContact CG-CE1 4.19Å; M124-V159 HydrophobicContact CE-CG1 4.39Å; M124-V159 HydrophobicContact SD-CB 4.27Å; M124-V159 HydrophobicContact SD-CG1 4.16Å; M124-V159 HydrophobicContact SD-CG2 4.07Å
125	Q	97	Very high	95.4	Very high	47 Å²	47	61.3 Å²	61.3	22%	0.22	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-43.5	175.8	-175.6	-83.3	-18.4	0	0	111.7	L100 E102 M121 S122 V123 L127 V128 S129 I157	L100-Q125 HydrophobicContact CD1-CB 3.84Å; E102-Q125 WeakPolarHBondContact O-CG 3.38Å; E102-Q125 PolarHBondContact O-NE2 3.09Å; M121-Q125 PolarHBondContact O-N 3.47Å; S122-Q125 PolarHBondContact O-N 3.39Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 3.03Å; Q125-L127 VanDerWaalsContact C-N 3.3Å; Q125-L127 PolarHBondContact O-N 2.96Å; Q125-V128 PolarHBondContact O-N 3.36Å; Q125-S129 WeakPolarHBondContact O-CB 3.39Å; Q125-S129 PolarHBondContact O-N 3.13Å; Q125-I157 HydrophobicContact CB-CD1 4.28Å; Q125-I157 HydrophobicContact CG-CD1 3.99Å
126	A	97.9	Very high	95.8	Very high	52 Å²	52	63.2 Å²	63.2	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-61.1	-40	178.8	0	0	0	0	0	111.8	S122 V123 F130	S122-A126 WeakPolarHBondContact O-CB 3.27Å; S122-A126 PolarHBondContact O-N 3.35Å; V123-A126 PolarHBondContact O-N 3.4Å; A126-F130 VanDerWaalsContact O-CB 3.28Å; A126-F130 WeakPolarHBondContact O-CB 3.16Å; A126-F130 PolarHBondContact O-N 2.84Å
127	L	97.9	Very high	96.1	Very high	76 Å²	76	62.1 Å²	62.1	40%	0.398	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-47.6	174.7	-69.4	172.8	0	0	0	112	V123 M124 Q125 S129 F130 V131 L138 I141	V123-L127 HydrophobicContact CG1-CD1 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.23Å; V123-L127 PolarHBondContact O-N 2.83Å; M124-L127 PolarHBondContact O-N 3.44Å; Q125-L127 VanDerWaalsContact C-N 3.3Å; Q125-L127 PolarHBondContact O-N 2.96Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.86Å; L127-F130 PolarHBondContact O-N 3.11Å; L127-V131 WeakPolarHBondContact O-CG2 3.1Å; L127-V131 PolarHBondContact O-N 2.83Å; L127-V131 VanDerWaalsContact O-N 3.11Å; L127-L138 HydrophobicContact CB-CD2 3.9Å; L127-I141 HydrophobicContact CD1-CD1 4.27Å
128	V	97.8	Very high	96.4	Very high	16 Å²	16	62.8 Å²	62.8	10%	0.097	39%	0.385	C	S	.	.	H	α-helix	trans	-58.8	-47.3	176.9	170.3	0	0	0	0	110.5	M124 Q125 V131 A132 L138 F150 I157	M124-V128 WeakPolarHBondContact O-CG2 3.41Å; M124-V128 PolarHBondContact O-N 2.82Å; Q125-V128 PolarHBondContact O-N 3.36Å; V128-V131 PolarHBondContact O-N 2.82Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.71Å; V128-L138 HydrophobicContact CG2-CB 4.49Å; V128-L138 HydrophobicContact CG2-CD2 4.01Å; V128-F150 HydrophobicContact CG2-CD1 3.68Å; V128-F150 HydrophobicContact CG2-CE1 4.14Å; V128-F150 HydrophobicContact CG2-CG 4.41Å; V128-I157 HydrophobicContact CB-CD1 4.25Å; V128-I157 HydrophobicContact CG1-CD1 4.07Å; V128-I157 HydrophobicContact CG2-CD1 4.47Å; V128-I157 HydrophobicContact CG2-CG2 4.12Å
129	S	96.9	Very high	96.7	Very high	43 Å²	43	66.2 Å²	66.2	30%	0.301	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-42.8	178.6	179.7	0	0	0	0	112.4	Q125 L127 V131 A132 N133	Q125-S129 WeakPolarHBondContact O-CB 3.39Å; Q125-S129 PolarHBondContact O-N 3.13Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.86Å; S129-V131 PolarHBondContact O-N 3.07Å; S129-A132 PolarHBondContact O-N 2.98Å; S129-N133 PolarHBondContact O-N 3.15Å; S129-N133 PolarHBondContact O-ND2 2.89Å; S129-N133 VanDerWaalsContact O-ND2 3.16Å
130	F	97.6	Very high	96.8	Very high	157 Å²	157	65.3 Å²	65.3	69%	0.689	39%	0.385	S	S	*	.	H	α-helix	trans	-58.8	-46.5	177.2	176	-97	0	0	0	112.2	A126 L127 N133	A126-F130 VanDerWaalsContact O-CB 3.28Å; A126-F130 WeakPolarHBondContact O-CB 3.16Å; A126-F130 PolarHBondContact O-N 2.84Å; L127-F130 PolarHBondContact O-N 3.11Å; F130-N133 PolarHBondContact O-N 2.98Å
131	V	97.8	Very high	97	Very high	28 Å²	28	65.9 Å²	65.9	17%	0.17	39%	0.388	C	S	.	.	H	α-helix	trans	-68.8	-41.7	178.1	179.1	0	0	0	0	110.9	L127 V128 S129 N133 S134 D136 L138	L127-V131 WeakPolarHBondContact O-CG2 3.1Å; L127-V131 PolarHBondContact O-N 2.83Å; L127-V131 VanDerWaalsContact O-N 3.11Å; V128-V131 PolarHBondContact O-N 2.82Å; S129-V131 PolarHBondContact O-N 3.07Å; V131-N133 VanDerWaalsContact C-N 3.28Å; V131-N133 PolarHBondContact O-N 3.44Å; V131-S134 WeakPolarHBondContact O-CA 3.14Å; V131-S134 WeakPolarHBondContact O-CB 3.18Å; V131-S134 PolarHBondContact O-N 2.97Å; V131-S134 PolarHBondContact O-OG 2.93Å; V131-D136 CarbonylContact C-O 3.28Å; V131-D136 HydrophobicContact CG1-CB 3.82Å; V131-D136 PolarHBondContact O-N 3.32Å; V131-L138 HydrophobicContact CB-CB 4.06Å; V131-L138 HydrophobicContact CG1-CB 4.21Å; V131-L138 HydrophobicContact CG2-CB 4.08Å; V131-L138 HydrophobicContact CG2-CD1 4.42Å
132	A	96.6	Very high	97	Very high	56 Å²	56	70.2 Å²	70.2	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-58.5	-37.9	176.1	0	0	0	0	0	112.7	V128 S129 S134 G135 D136	V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.71Å; S129-A132 PolarHBondContact O-N 2.98Å; A132-S134 PolarHBondContact O-N 3.14Å; A132-G135 PolarHBondContact O-N 2.88Å; A132-D136 WeakPolarHBondContact CA-O 3.38Å
133	N	96	Very high	97	Very high	135 Å²	135	70.9 Å²	70.9	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20	175.6	-70.2	-29.1	0	0	0	113.4	S129 F130 V131 G135	S129-N133 PolarHBondContact O-N 3.15Å; S129-N133 PolarHBondContact O-ND2 2.89Å; S129-N133 VanDerWaalsContact O-ND2 3.16Å; F130-N133 PolarHBondContact O-N 2.98Å; V131-N133 VanDerWaalsContact C-N 3.28Å; V131-N133 PolarHBondContact O-N 3.44Å; N133-G135 VanDerWaalsContact C-N 3.33Å
134	S	96.5	Very high	96.8	Very high	90 Å²	90	73.4 Å²	73.4	63%	0.629	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.1	173.2	74.5	0	0	0	0	113.8	V131 A132	V131-S134 WeakPolarHBondContact O-CA 3.14Å; V131-S134 WeakPolarHBondContact O-CB 3.18Å; V131-S134 PolarHBondContact O-N 2.97Å; V131-S134 PolarHBondContact O-OG 2.93Å; A132-S134 PolarHBondContact O-N 3.14Å
135	G	96.3	Very high	96.5	Very high	77 Å²	77	77.3 Å²	77.3	79%	0.794	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	17.3	-175.9	0	0	0	0	0	114	A132 N133	A132-G135 PolarHBondContact O-N 2.88Å; N133-G135 VanDerWaalsContact C-N 3.33Å
136	D	97.6	Very high	96.4	Very high	111 Å²	111	75.9 Å²	75.9	59%	0.594	44%	0.443	S	S	*	.			trans	-117.4	169.4	179.2	-162.1	5.4	0	0	0	110.8	V131 A132	V131-D136 CarbonylContact C-O 3.28Å; V131-D136 HydrophobicContact CG1-CB 3.82Å; V131-D136 PolarHBondContact O-N 3.32Å; A132-D136 WeakPolarHBondContact CA-O 3.38Å
137	E	96.6	Very high	96.3	Very high	87 Å²	87	73.7 Å²	73.7	41%	0.407	42%	0.424	S	S	.	.			trans	-116.1	121.6	178.2	-173.4	-174.9	-162.4	0	0	110.3	Q139	E137-Q139 HydrophobicContact CB-CG 4.44Å; E137-Q139 HydrophobicContact CG-CG 4.16Å; E137-Q139 PolarHBondContact O-N 2.73Å; E137-Q139 PolarHBondContact OE2-NE2 3.33Å; E137-Q139 VanDerWaalsContact OE2-NE2 3.13Å
138	L	97.7	Very high	96.3	Very high	24 Å²	24	72 Å²	72	13%	0.126	41%	0.413	C	S	.	.			trans	-68.6	108	170.9	-179.4	61.6	0	0	0	108.9	L127 V128 V131 I141 F150	L127-L138 HydrophobicContact CB-CD2 3.9Å; V128-L138 HydrophobicContact CG2-CB 4.49Å; V128-L138 HydrophobicContact CG2-CD2 4.01Å; V131-L138 HydrophobicContact CB-CB 4.06Å; V131-L138 HydrophobicContact CG1-CB 4.21Å; V131-L138 HydrophobicContact CG2-CB 4.08Å; V131-L138 HydrophobicContact CG2-CD1 4.42Å; L138-I141 HydrophobicContact CD1-CD1 4.27Å; L138-I141 HydrophobicContact CD1-CG1 3.95Å; L138-I141 HydrophobicContact CD2-CD1 4.28Å; L138-F150 HydrophobicContact CD2-CD1 4.29Å; L138-F150 HydrophobicContact CD2-CD2 4.01Å; L138-F150 HydrophobicContact CD2-CE1 4.21Å; L138-F150 HydrophobicContact CD2-CE2 3.92Å; L138-F150 HydrophobicContact CD2-CG 4.21Å; L138-F150 HydrophobicContact CD2-CZ 4.03Å; L138-F150 HydrophobicContact CG-CD2 3.91Å; L138-F150 HydrophobicContact CG-CE2 4.21Å; L138-F150 HydrophobicContact CG-CG 4.21Å; L138-F150 VanDerWaalsContact O-CB 3.24Å; L138-F150 WeakPolarHBondContact O-CB 3.34Å
139	Q	97.3	Very high	96.3	Very high	114 Å²	114	71.6 Å²	71.6	53%	0.533	41%	0.41	S	S	.	.			trans	-102.1	-48.3	180	-67.8	-178.4	-8.5	0	0	112.5	E137 L149 F150	E137-Q139 HydrophobicContact CB-CG 4.44Å; E137-Q139 HydrophobicContact CG-CG 4.16Å; E137-Q139 PolarHBondContact O-N 2.73Å; E137-Q139 PolarHBondContact OE2-NE2 3.33Å; E137-Q139 VanDerWaalsContact OE2-NE2 3.13Å; Q139-L149 WeakPolarHBondContact O-CA 3.17Å; Q139-L149 WeakPolarHBondContact O-CD1 3.49Å; Q139-F150 PolarHBondContact O-N 3.35Å
140	L	97.5	Very high	96.4	Very high	63 Å²	63	69.8 Å²	69.8	33%	0.33	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	131.2	-169.4	-175	69.9	0	0	0	111.6	N142 K147 F148 L149	L140-N142 VanDerWaalsContact CD2-ND2 3.33Å; L140-N142 WeakPolarHBondContact CD2-ND2 3.29Å; L140-K147 HydrophobicContact CD1-CB 4.18Å; L140-K147 HydrophobicContact CD1-CD 3.97Å; L140-F148 CarbonylContact C-O 3.58Å; L140-F148 WeakPolarHBondContact CA-O 3.47Å; L140-F148 WeakPolarHBondContact CD1-O 3.02Å; L140-L149 HydrophobicContact CD1-CB 4.34Å; L140-L149 HydrophobicContact CD1-CD1 4.27Å
141	I	97.3	Very high	96.4	Very high	59 Å²	59	62.8 Å²	62.8	30%	0.303	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.1	165.8	-56.7	175.7	0	0	0	107.4	L127 L138 K147 F148 F150	L127-I141 HydrophobicContact CD1-CD1 4.27Å; L138-I141 HydrophobicContact CD1-CD1 4.27Å; L138-I141 HydrophobicContact CD1-CG1 3.95Å; L138-I141 HydrophobicContact CD2-CD1 4.28Å; I141-K147 CarbonylContact O-C 3.43Å; I141-K147 WeakPolarHBondContact O-CA 3.4Å; I141-K147 WeakPolarHBondContact O-CB 3.46Å; I141-F148 HydrophobicContact CB-CB 4.24Å; I141-F148 HydrophobicContact CB-CD2 4.46Å; I141-F148 PolarHBondContact N-O 3.36Å; I141-F148 PolarHBondContact O-N 3.24Å; I141-F150 HydrophobicContact CD1-CE2 3.75Å; I141-F150 HydrophobicContact CD1-CZ 4.1Å; I141-F150 HydrophobicContact CG1-CE2 3.96Å
142	N	96.2	Very high	96.3	Very high	91 Å²	91	63.1 Å²	63.1	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.3	174.5	-65.5	-49.4	0	0	0	110.1	L140 K147 I164	L140-N142 VanDerWaalsContact CD2-ND2 3.33Å; L140-N142 WeakPolarHBondContact CD2-ND2 3.29Å; N142-K147 VanDerWaalsContact OD1-CB 3.3Å; N142-K147 WeakPolarHBondContact OD1-CB 3.31Å; N142-I164 HydrophobicContact CB-CD1 4.21Å
143	T	94	Very high	96.2	Very high	64 Å²	64	65.2 Å²	65.2	39%	0.393	37%	0.366	S	S	.	.			trans	-103.3	-171.8	162.9	74	0	0	0	0	109	D145 K146	T143-D145 VanDerWaalsContact C-N 3.31Å; T143-D145 PolarHBondContact O-N 2.83Å; T143-D145 PolarHBondContact OG1-OD1 3.36Å; T143-K146 PolarHBondContact N-O 3.17Å; T143-K146 WeakPolarHBondContact OG1-CA 3.5Å; T143-K146 WeakPolarHBondContact OG1-CB 3.38Å; T143-K146 PolarHBondContact OG1-N 3.24Å; T143-K146 PolarHBondContact OG1-O 3.06Å; T143-K146 VanDerWaalsContact OG1-O 3.07Å
144	T	92.5	Very high	96	Very high	142 Å²	142	60.5 Å²	60.5	87%	0.871	34%	0.343	S	S	*	.	S	Bend	trans	-60.3	-39.8	177.2	-53.6	0	0	0	0	112.7
145	D	92.2	Very high	95.8	Very high	91 Å²	91	58.6 Å²	58.6	49%	0.487	33%	0.325	S	S	.	.	S	Bend	trans	-129.3	-14.8	-167.8	66.7	-39.3	0	0	0	113.8	T143 I164	T143-D145 VanDerWaalsContact C-N 3.31Å; T143-D145 PolarHBondContact O-N 2.83Å; T143-D145 PolarHBondContact OG1-OD1 3.36Å; D145-I164 WeakPolarHBondContact O-CB 3.17Å; D145-I164 WeakPolarHBondContact O-CG2 3.37Å; D145-I164 PolarHBondContact O-N 2.98Å
146	K	94.3	Very high	95.7	Very high	18 Å²	18	55 Å²	55	8%	0.078	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	171.8	-179.6	-52.9	-66.8	-175.1	170.5	0	111.1	T91 N92 D93 T143 F161 S162	T91-K146 PolarHBondContact O-NZ 2.81Å; N92-K146 PolarHBondContact O-NZ 3.39Å; D93-K146 IonicContact OD1-NZ 3.27Å; D93-K146 PolarHBondContact OD1-NZ 3.23Å; T143-K146 PolarHBondContact N-O 3.17Å; T143-K146 WeakPolarHBondContact OG1-CA 3.5Å; T143-K146 WeakPolarHBondContact OG1-CB 3.38Å; T143-K146 PolarHBondContact OG1-N 3.24Å; T143-K146 PolarHBondContact OG1-O 3.06Å; T143-K146 VanDerWaalsContact OG1-O 3.07Å; K146-F161 HydrophobicContact CB-CE2 3.64Å; K146-F161 HydrophobicContact CB-CZ 3.93Å; K146-F161 HydrophobicContact CD-CE1 4.34Å; K146-F161 HydrophobicContact CD-CE2 4.44Å; K146-F161 HydrophobicContact CD-CZ 3.85Å; K146-F161 HydrophobicContact CG-CE2 3.94Å; K146-F161 HydrophobicContact CG-CZ 3.68Å; K146-S162 CarbonylContact C-O 3.56Å; K146-S162 VanDerWaalsContact CA-O 3.27Å; K146-S162 WeakPolarHBondContact CA-O 3.36Å
147	K	95.5	Very high	95.7	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155.1	169.8	58.4	176.5	167.6	-174.4	0	112.2	L140 I141 N142 F161 S162 I164 E166 T168 L171	L140-K147 HydrophobicContact CD1-CB 4.18Å; L140-K147 HydrophobicContact CD1-CD 3.97Å; I141-K147 CarbonylContact O-C 3.43Å; I141-K147 WeakPolarHBondContact O-CA 3.4Å; I141-K147 WeakPolarHBondContact O-CB 3.46Å; N142-K147 VanDerWaalsContact OD1-CB 3.3Å; N142-K147 WeakPolarHBondContact OD1-CB 3.31Å; K147-F161 WeakPolarHBondContact O-CA 3.17Å; K147-S162 WeakPolarHBondContact CE-OG 3.44Å; K147-S162 PolarHBondContact N-O 3.42Å; K147-S162 PolarHBondContact O-N 2.71Å; K147-I164 HydrophobicContact CB-CD1 4.15Å; K147-I164 HydrophobicContact CD-CD1 4.22Å; K147-I164 HydrophobicContact CG-CD1 4.42Å; K147-E166 WeakPolarHBondContact CE-O 3.5Å; K147-E166 PolarHBondContact NZ-O 3.42Å; K147-T168 PolarHBondContact NZ-OG1 3.49Å; K147-L171 HydrophobicContact CD-CD1 4.25Å; K147-L171 VanDerWaalsContact CE-CD1 3.44Å
148	F	97.5	Very high	95.8	Very high	41 Å²	41	45.7 Å²	45.7	18%	0.18	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.8	170.1	-62.2	-97.6	0	0	0	109	M124 L140 I141 F150 V159 A160 F161	M124-F148 HydrophobicContact CE-CD1 3.99Å; M124-F148 HydrophobicContact CE-CE1 3.72Å; L140-F148 CarbonylContact C-O 3.58Å; L140-F148 WeakPolarHBondContact CA-O 3.47Å; L140-F148 WeakPolarHBondContact CD1-O 3.02Å; I141-F148 HydrophobicContact CB-CB 4.24Å; I141-F148 HydrophobicContact CB-CD2 4.46Å; I141-F148 PolarHBondContact N-O 3.36Å; I141-F148 PolarHBondContact O-N 3.24Å; F148-F150 HydrophobicContact CB-CD2 4.28Å; F148-F150 HydrophobicContact CB-CE2 3.45Å; F148-F150 VanDerWaalsContact CB-CE2 3.45Å; F148-F150 HydrophobicContact CB-CZ 3.93Å; F148-F150 HydrophobicContact CG-CE2 4.48Å; F148-V159 HydrophobicContact CB-CG1 4.47Å; F148-V159 HydrophobicContact CD1-CG1 4.2Å; F148-A160 CarbonylContact C-O 3.57Å; F148-A160 VanDerWaalsContact CA-O 3.3Å; F148-A160 WeakPolarHBondContact CA-O 3.18Å; F148-F161 HydrophobicContact CD1-CB 4.12Å; F148-F161 AromaticContact CD1-CD2 3.82Å; F148-F161 HydrophobicContact CD1-CD2 3.82Å; F148-F161 HydrophobicContact CD1-CG 4.43Å; F148-F161 HydrophobicContact CD2-CD2 4.11Å; F148-F161 HydrophobicContact CE1-CB 4.05Å; F148-F161 AromaticContact CE1-CD2 3.35Å; F148-F161 HydrophobicContact CE1-CD2 3.35Å; F148-F161 HydrophobicContact CE1-CE2 4.09Å; F148-F161 HydrophobicContact CE1-CG 4.02Å; F148-F161 AromaticContact CE2-CD2 3.67Å; F148-F161 HydrophobicContact CE2-CD2 3.67Å; F148-F161 AromaticContact CE2-CE2 3.77Å; F148-F161 HydrophobicContact CE2-CE2 3.77Å; F148-F161 HydrophobicContact CG-CD2 4.17Å; F148-F161 AromaticContact CZ-CD2 3.27Å; F148-F161 HydrophobicContact CZ-CD2 3.27Å; F148-F161 AromaticContact CZ-CE2 3.52Å; F148-F161 HydrophobicContact CZ-CE2 3.52Å; F148-F161 HydrophobicContact CZ-CG 4.3Å
149	L	98.1	Very high	95.8	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.7	171.7	177	78	0	0	0	108.5	Q139 L140 V159 A160 T168 L171 L172 L175	Q139-L149 WeakPolarHBondContact O-CA 3.17Å; Q139-L149 WeakPolarHBondContact O-CD1 3.49Å; L140-L149 HydrophobicContact CD1-CB 4.34Å; L140-L149 HydrophobicContact CD1-CD1 4.27Å; L149-V159 CarbonylContact O-C 3.52Å; L149-V159 VanDerWaalsContact O-CA 3.28Å; L149-V159 WeakPolarHBondContact O-CA 3.39Å; L149-A160 HydrophobicContact CB-CB 4.33Å; L149-A160 PolarHBondContact N-O 2.85Å; L149-A160 PolarHBondContact O-N 2.86Å; L149-T168 HydrophobicContact CD1-CG2 3.89Å; L149-L171 HydrophobicContact CD2-CB 3.46Å; L149-L171 VanDerWaalsContact CD2-CB 3.46Å; L149-L172 HydrophobicContact CD1-CD2 4.14Å; L149-L172 HydrophobicContact CD1-CG 4.4Å; L149-L172 HydrophobicContact CD2-CB 4.43Å; L149-L172 HydrophobicContact CD2-CD2 3.8Å; L149-L172 HydrophobicContact CD2-CG 3.76Å; L149-L172 HydrophobicContact CG-CD2 4.32Å; L149-L175 HydrophobicContact CD2-CD1 3.86Å; L149-L175 HydrophobicContact CG-CD1 4.14Å
150	F	98.5	Very high	95.8	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.1	-178.1	-64	-99	0	0	0	110	M124 V128 L138 Q139 I141 F148 I157 L158 V159	M124-F150 HydrophobicContact CB-CE1 4.09Å; M124-F150 HydrophobicContact CG-CE1 4.19Å; V128-F150 HydrophobicContact CG2-CD1 3.68Å; V128-F150 HydrophobicContact CG2-CE1 4.14Å; V128-F150 HydrophobicContact CG2-CG 4.41Å; L138-F150 HydrophobicContact CD2-CD1 4.29Å; L138-F150 HydrophobicContact CD2-CD2 4.01Å; L138-F150 HydrophobicContact CD2-CE1 4.21Å; L138-F150 HydrophobicContact CD2-CE2 3.92Å; L138-F150 HydrophobicContact CD2-CG 4.21Å; L138-F150 HydrophobicContact CD2-CZ 4.03Å; L138-F150 HydrophobicContact CG-CD2 3.91Å; L138-F150 HydrophobicContact CG-CE2 4.21Å; L138-F150 HydrophobicContact CG-CG 4.21Å; L138-F150 VanDerWaalsContact O-CB 3.24Å; L138-F150 WeakPolarHBondContact O-CB 3.34Å; Q139-F150 PolarHBondContact O-N 3.35Å; I141-F150 HydrophobicContact CD1-CE2 3.75Å; I141-F150 HydrophobicContact CD1-CZ 4.1Å; I141-F150 HydrophobicContact CG1-CE2 3.96Å; F148-F150 HydrophobicContact CB-CD2 4.28Å; F148-F150 HydrophobicContact CB-CE2 3.45Å; F148-F150 VanDerWaalsContact CB-CE2 3.45Å; F148-F150 HydrophobicContact CB-CZ 3.93Å; F148-F150 HydrophobicContact CG-CE2 4.48Å; F150-I157 HydrophobicContact CD1-CG2 4.45Å; F150-L158 WeakPolarHBondContact CA-O 3.44Å; F150-V159 HydrophobicContact CD1-CB 4.37Å; F150-V159 HydrophobicContact CD1-CG1 4Å; F150-V159 HydrophobicContact CD1-CG2 3.55Å; F150-V159 HydrophobicContact CE1-CB 4.44Å; F150-V159 HydrophobicContact CE1-CG1 3.8Å; F150-V159 HydrophobicContact CE1-CG2 3.72Å; F150-V159 HydrophobicContact CE2-CG1 4.49Å; F150-V159 HydrophobicContact CG-CG1 4.42Å; F150-V159 HydrophobicContact CG-CG2 4.45Å; F150-V159 HydrophobicContact CZ-CG1 4.06Å
151	V	98	Very high	95.8	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	118.2	175.5	173.6	0	0	0	0	108.5	R153 L158 L172 L175	V151-R153 HydrophobicContact CG1-CG 3.91Å; V151-L158 PolarHBondContact N-O 3.3Å; V151-L158 WeakPolarHBondContact O-CD1 3.43Å; V151-L158 PolarHBondContact O-N 3.09Å; V151-L172 HydrophobicContact CG2-CD2 3.68Å; V151-L175 HydrophobicContact CB-CD1 4.09Å; V151-L175 HydrophobicContact CG2-CB 4.32Å; V151-L175 HydrophobicContact CG2-CD1 3.62Å
152	C	96.7	Very high	95.7	Very high	36 Å²	36	33.9 Å²	33.9	24%	0.243	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129	176.5	-58.7	0	0	0	0	110.7	L156	C152-L156 CarbonylContact C-O 3.52Å; C152-L156 WeakPolarHBondContact CA-O 3.45Å
153	R	94.8	Very high	95.6	Very high	100 Å²	100	30.4 Å²	30.4	38%	0.377	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	120.1	-179.3	-64.4	-66.8	-179.3	-95.5	1.4	111.2	V151 H155 L156 L158 Y179	V151-R153 HydrophobicContact CG1-CG 3.91Å; R153-H155 PolarHBondContact O-N 3.4Å; R153-L156 PolarHBondContact N-O 2.89Å; R153-L156 WeakPolarHBondContact O-CA 3.47Å; R153-L156 VanDerWaalsContact O-CB 3.31Å; R153-L156 WeakPolarHBondContact O-CB 3.42Å; R153-L156 PolarHBondContact O-N 2.9Å; R153-L158 HydrophobicContact CB-CD1 4.35Å; R153-L158 HydrophobicContact CG-CD1 4.46Å; R153-Y179 HydrophobicContact CB-CD2 3.74Å; R153-Y179 HydrophobicContact CB-CE1 4.37Å; R153-Y179 HydrophobicContact CB-CE2 3.38Å; R153-Y179 HydrophobicContact CB-CG 4.36Å; R153-Y179 HydrophobicContact CG-CD2 4.3Å; R153-Y179 HydrophobicContact CG-CE2 4.29Å; R153-Y179 HydrophobicContact CG-CG 4.47Å
154	S	90.4	Very high	95.4	Very high	35 Å²	35	30.8 Å²	30.8	25%	0.245	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.8	61	170.4	-55.2	0	0	0	0	113.9	L156 Y179 L188 V191 E192	S154-L156 VanDerWaalsContact C-N 3.28Å; S154-L156 PolarHBondContact O-N 3.1Å; S154-Y179 PolarHBondContact OG-OH 2.96Å; S154-L188 VanDerWaalsContact OG-CD1 3.23Å; S154-L188 WeakPolarHBondContact OG-CD1 3.42Å; S154-V191 WeakPolarHBondContact O-CG1 3.44Å; S154-E192 PolarHBondContact OG-OE1 2.94Å
155	H	92.5	Very high	95.3	Very high	51 Å²	51	26.6 Å²	26.6	24%	0.236	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	3.4	-178.5	-47.7	-67.2	0	0	0	117.6	S101 E102 R153 F195	S101-H155 WeakPolarHBondContact CA-O 3.36Å; E102-H155 VanDerWaalsContact CD-CA 3.45Å; E102-H155 PolarHBondContact N-O 2.95Å; E102-H155 WeakPolarHBondContact OE1-CA 3.42Å; E102-H155 IonicContact OE1-ND1 3.9Å; E102-H155 IonicContact OE2-CE1 3.9Å; E102-H155 IonicContact OE2-CG 3.78Å; E102-H155 IonicContact OE2-ND1 2.89Å; E102-H155 PolarHBondContact OE2-ND1 2.94Å; R153-H155 PolarHBondContact O-N 3.4Å; H155-F195 HydrophobicContact CB-CB 3.84Å; H155-F195 HydrophobicContact CB-CD1 4.19Å; H155-F195 HydrophobicContact CB-CD2 3.38Å; H155-F195 HydrophobicContact CB-CE2 3.82Å; H155-F195 HydrophobicContact CB-CG 3.55Å; H155-F195 HydrophobicContact CB-CZ 4.42Å; H155-F195 AromaticContact CG-CD2 4Å; H155-F195 AromaticContact CG-CG 3.92Å
156	L	94.8	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.7	174.8	-53.1	-177.1	0	0	0	110.7	I107 C152 R153 S154 L158 Y179 I182 F195 L203	I107-L156 HydrophobicContact CD1-CD2 3.47Å; I107-L156 VanDerWaalsContact CD1-CD2 3.47Å; C152-L156 CarbonylContact C-O 3.52Å; C152-L156 WeakPolarHBondContact CA-O 3.45Å; R153-L156 PolarHBondContact N-O 2.89Å; R153-L156 WeakPolarHBondContact O-CA 3.47Å; R153-L156 VanDerWaalsContact O-CB 3.31Å; R153-L156 WeakPolarHBondContact O-CB 3.42Å; R153-L156 PolarHBondContact O-N 2.9Å; S154-L156 VanDerWaalsContact C-N 3.28Å; S154-L156 PolarHBondContact O-N 3.1Å; L156-L158 HydrophobicContact CB-CD1 4.02Å; L156-Y179 HydrophobicContact CD1-CD2 4.01Å; L156-Y179 HydrophobicContact CD1-CE2 4.05Å; L156-I182 HydrophobicContact CD1-CD1 4.13Å; L156-I182 HydrophobicContact CD1-CG2 4.23Å; L156-F195 HydrophobicContact CD2-CE2 3.8Å; L156-F195 HydrophobicContact CD2-CZ 4.01Å; L156-L203 HydrophobicContact CD2-CD1 3.74Å
157	I	97.1	Very high	95.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.3	164.6	-54.3	170.7	0	0	0	105.8	L100 Q125 V128 F150 V159	L100-I157 HydrophobicContact CD1-CD1 4.49Å; L100-I157 HydrophobicContact CD2-CB 3.77Å; L100-I157 HydrophobicContact CD2-CG2 3.88Å; L100-I157 VanDerWaalsContact CD2-O 3.29Å; L100-I157 WeakPolarHBondContact CD2-O 3.33Å; L100-I157 HydrophobicContact CG-CB 3.9Å; L100-I157 HydrophobicContact CG-CG2 4.44Å; L100-I157 PolarHBondContact N-O 2.93Å; L100-I157 PolarHBondContact O-N 3.45Å; Q125-I157 HydrophobicContact CB-CD1 4.28Å; Q125-I157 HydrophobicContact CG-CD1 3.99Å; V128-I157 HydrophobicContact CB-CD1 4.25Å; V128-I157 HydrophobicContact CG1-CD1 4.07Å; V128-I157 HydrophobicContact CG2-CD1 4.47Å; V128-I157 HydrophobicContact CG2-CG2 4.12Å; F150-I157 HydrophobicContact CD1-CG2 4.45Å; I157-V159 HydrophobicContact CG2-CG2 3.96Å
158	L	98.2	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.7	175.7	-57	94	0	0	0	108.3	V99 F150 V151 R153 L156 L175 V178 Y179	V99-L158 HydrophobicContact CG1-CG 4.44Å; V99-L158 HydrophobicContact CG2-CD2 4.3Å; V99-L158 HydrophobicContact CG2-CG 4.45Å; F150-L158 WeakPolarHBondContact CA-O 3.44Å; V151-L158 PolarHBondContact N-O 3.3Å; V151-L158 WeakPolarHBondContact O-CD1 3.43Å; V151-L158 PolarHBondContact O-N 3.09Å; R153-L158 HydrophobicContact CB-CD1 4.35Å; R153-L158 HydrophobicContact CG-CD1 4.46Å; L156-L158 HydrophobicContact CB-CD1 4.02Å; L158-L175 HydrophobicContact CB-CB 4.37Å; L158-L175 HydrophobicContact CB-CD2 3.98Å; L158-L175 WeakPolarHBondContact CD2-O 3.46Å; L158-V178 HydrophobicContact CD2-CB 4.28Å; L158-V178 HydrophobicContact CD2-CG1 4Å; L158-Y179 HydrophobicContact CD1-CD2 4.14Å
159	V	98.3	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.5	-175.7	-168.5	0	0	0	0	110	I97 F98 L100 M124 F148 L149 F150 I157	I97-V159 WeakPolarHBondContact CA-O 3.42Å; F98-V159 HydrophobicContact CB-CB 4.18Å; F98-V159 HydrophobicContact CD2-CB 4.27Å; F98-V159 PolarHBondContact N-O 2.7Å; F98-V159 PolarHBondContact O-N 3.2Å; L100-V159 HydrophobicContact CD2-CG2 3.99Å; M124-V159 HydrophobicContact CE-CG1 4.39Å; M124-V159 HydrophobicContact SD-CB 4.27Å; M124-V159 HydrophobicContact SD-CG1 4.16Å; M124-V159 HydrophobicContact SD-CG2 4.07Å; F148-V159 HydrophobicContact CB-CG1 4.47Å; F148-V159 HydrophobicContact CD1-CG1 4.2Å; L149-V159 CarbonylContact O-C 3.52Å; L149-V159 VanDerWaalsContact O-CA 3.28Å; L149-V159 WeakPolarHBondContact O-CA 3.39Å; F150-V159 HydrophobicContact CD1-CB 4.37Å; F150-V159 HydrophobicContact CD1-CG1 4Å; F150-V159 HydrophobicContact CD1-CG2 3.55Å; F150-V159 HydrophobicContact CE1-CB 4.44Å; F150-V159 HydrophobicContact CE1-CG1 3.8Å; F150-V159 HydrophobicContact CE1-CG2 3.72Å; F150-V159 HydrophobicContact CE2-CG1 4.49Å; F150-V159 HydrophobicContact CG-CG1 4.42Å; F150-V159 HydrophobicContact CG-CG2 4.45Å; F150-V159 HydrophobicContact CZ-CG1 4.06Å; I157-V159 HydrophobicContact CG2-CG2 3.96Å
160	A	98	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.4	168.2	0	0	0	0	0	109.8	L95 I97 F148 L149 L171 L175	L95-A160 HydrophobicContact CD1-CB 4.07Å; I97-A160 HydrophobicContact CD1-CB 3.72Å; F148-A160 CarbonylContact C-O 3.57Å; F148-A160 VanDerWaalsContact CA-O 3.3Å; F148-A160 WeakPolarHBondContact CA-O 3.18Å; L149-A160 HydrophobicContact CB-CB 4.33Å; L149-A160 PolarHBondContact N-O 2.85Å; L149-A160 PolarHBondContact O-N 2.86Å; A160-L171 HydrophobicContact CB-CB 4.33Å; A160-L171 HydrophobicContact CB-CD2 4.41Å; A160-L175 HydrophobicContact CB-CD1 4.02Å; A160-L175 HydrophobicContact CB-CD2 3.93Å; A160-L175 HydrophobicContact CB-CG 4.07Å
161	F	97.2	Very high	94.9	Very high	12 Å²	12	24 Å²	24	5%	0.053	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.7	166.9	174	-102.9	0	0	0	109.1	W90 H96 F98 K146 K147 F148	W90-F161 AromaticContact CE3-CD1 3.71Å; W90-F161 HydrophobicContact CE3-CD1 3.71Å; W90-F161 AromaticContact CE3-CE1 3.94Å; W90-F161 HydrophobicContact CE3-CE1 3.94Å; W90-F161 HydrophobicContact CE3-CG 4.25Å; W90-F161 HydrophobicContact CZ3-CB 4.49Å; W90-F161 AromaticContact CZ3-CD1 3.67Å; W90-F161 HydrophobicContact CZ3-CD1 3.67Å; W90-F161 HydrophobicContact CZ3-CD2 4.18Å; W90-F161 AromaticContact CZ3-CE1 3.8Å; W90-F161 HydrophobicContact CZ3-CE1 3.8Å; W90-F161 HydrophobicContact CZ3-CE2 4.27Å; W90-F161 AromaticContact CZ3-CG 3.84Å; W90-F161 HydrophobicContact CZ3-CG 3.84Å; W90-F161 HydrophobicContact CZ3-CZ 4.07Å; H96-F161 HydrophobicContact CB-CB 4.32Å; H96-F161 HydrophobicContact CB-CD1 4.23Å; H96-F161 PolarHBondContact N-O 3.46Å; H96-F161 PolarHBondContact O-N 3.4Å; F98-F161 HydrophobicContact CE2-CB 4.13Å; K146-F161 HydrophobicContact CB-CE2 3.64Å; K146-F161 HydrophobicContact CB-CZ 3.93Å; K146-F161 HydrophobicContact CD-CE1 4.34Å; K146-F161 HydrophobicContact CD-CE2 4.44Å; K146-F161 HydrophobicContact CD-CZ 3.85Å; K146-F161 HydrophobicContact CG-CE2 3.94Å; K146-F161 HydrophobicContact CG-CZ 3.68Å; K147-F161 WeakPolarHBondContact O-CA 3.17Å; F148-F161 HydrophobicContact CD1-CB 4.12Å; F148-F161 AromaticContact CD1-CD2 3.82Å; F148-F161 HydrophobicContact CD1-CD2 3.82Å; F148-F161 HydrophobicContact CD1-CG 4.43Å; F148-F161 HydrophobicContact CD2-CD2 4.11Å; F148-F161 HydrophobicContact CE1-CB 4.05Å; F148-F161 AromaticContact CE1-CD2 3.35Å; F148-F161 HydrophobicContact CE1-CD2 3.35Å; F148-F161 HydrophobicContact CE1-CE2 4.09Å; F148-F161 HydrophobicContact CE1-CG 4.02Å; F148-F161 AromaticContact CE2-CD2 3.67Å; F148-F161 HydrophobicContact CE2-CD2 3.67Å; F148-F161 AromaticContact CE2-CE2 3.77Å; F148-F161 HydrophobicContact CE2-CE2 3.77Å; F148-F161 HydrophobicContact CG-CD2 4.17Å; F148-F161 AromaticContact CZ-CD2 3.27Å; F148-F161 HydrophobicContact CZ-CD2 3.27Å; F148-F161 AromaticContact CZ-CE2 3.52Å; F148-F161 HydrophobicContact CZ-CE2 3.52Å; F148-F161 HydrophobicContact CZ-CG 4.3Å
162	S	95.2	Very high	94.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	164.2	-175.2	80.5	0	0	0	0	112.5	K146 K147 L171	K146-S162 CarbonylContact C-O 3.56Å; K146-S162 VanDerWaalsContact CA-O 3.27Å; K146-S162 WeakPolarHBondContact CA-O 3.36Å; K147-S162 WeakPolarHBondContact CE-OG 3.44Å; K147-S162 PolarHBondContact N-O 3.42Å; K147-S162 PolarHBondContact O-N 2.71Å; S162-L171 VanDerWaalsContact OG-CD1 3.26Å; S162-L171 WeakPolarHBondContact OG-CD1 3.44Å
163	P	92.8	Very high	94.9	Very high	18 Å²	18	27.8 Å²	27.8	12%	0.117	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	145.3	160.2	-24.3	34.6	0	0	0	111.3	D93 S165 E166	D93-P163 HydrophobicContact CB-CG 4.43Å; D93-P163 WeakPolarHBondContact O-CG 3.19Å; P163-S165 PolarHBondContact O-N 3.2Å; P163-S165 VanDerWaalsContact O-N 3.08Å; P163-E166 PolarHBondContact O-N 3.01Å
164	I	91.8	Very high	95	Very high	73 Å²	73	23 Å²	23	37%	0.374	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.5	177.7	-166	64.9	0	0	0	111.9	N142 D145 K147 E166	N142-I164 HydrophobicContact CB-CD1 4.21Å; D145-I164 WeakPolarHBondContact O-CB 3.17Å; D145-I164 WeakPolarHBondContact O-CG2 3.37Å; D145-I164 PolarHBondContact O-N 2.98Å; K147-I164 HydrophobicContact CB-CD1 4.15Å; K147-I164 HydrophobicContact CD-CD1 4.22Å; K147-I164 HydrophobicContact CG-CD1 4.42Å; I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 PolarHBondContact O-N 3.47Å
165	S	89.1	Confident	95.4	Very high	54 Å²	54	21.4 Å²	21.4	38%	0.378	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.2	-176.1	97.7	0	0	0	0	114.3	P163 R447	P163-S165 PolarHBondContact O-N 3.2Å; P163-S165 VanDerWaalsContact O-N 3.08Å; S165-R447 PolarHBondContact O-NE 3.03Å; S165-R447 PolarHBondContact O-NH2 2.8Å; S165-R447 PolarHBondContact OG-NH2 2.94Å
166	E	92.9	Very high	95.6	Very high	22 Å²	22	21.4 Å²	21.4	10%	0.103	12%	0.12	C	C	.	.	S	Bend	trans	-71.9	136.5	176.9	-78	-60.4	153.6	0	0	111.4	K147 P163 I164 T168 L171 L443	K147-E166 WeakPolarHBondContact CE-O 3.5Å; K147-E166 PolarHBondContact NZ-O 3.42Å; P163-E166 PolarHBondContact O-N 3.01Å; I164-E166 VanDerWaalsContact C-N 3.26Å; I164-E166 PolarHBondContact O-N 3.47Å; E166-T168 PolarHBondContact O-N 3.37Å; E166-L171 HydrophobicContact CB-CD1 4.36Å; E166-L171 HydrophobicContact CB-CD2 4.25Å; E166-L171 HydrophobicContact CB-CG 4.41Å; E166-L443 WeakPolarHBondContact OE2-CD1 3.43Å
167	P	93.8	Very high	95.8	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.032	12%	0.122	C	C	.	.			trans	-65	125.5	176.7	-23.8	35.8	0	0	0	112.4	S169 H170 L171 K446 R447 M450	P167-S169 PolarHBondContact O-N 2.85Å; P167-H170 HydrophobicContact CB-CB 4.14Å; P167-H170 WeakPolarHBondContact O-CB 3.4Å; P167-H170 PolarHBondContact O-N 3.49Å; P167-L171 PolarHBondContact O-N 2.9Å; P167-K446 HydrophobicContact CG-CB 4.23Å; P167-R447 HydrophobicContact CG-CG 3.69Å; P167-M450 VanDerWaalsContact CA-CE 3.44Å; P167-M450 HydrophobicContact CB-CB 4.21Å; P167-M450 HydrophobicContact CB-CE 3.53Å; P167-M450 HydrophobicContact CB-CG 4.37Å; P167-M450 HydrophobicContact CB-SD 3.91Å
168	T	94.6	Very high	95.8	Very high	40 Å²	40	21.7 Å²	21.7	25%	0.245	12%	0.121	C	C	.	.	H	α-helix	trans	-54.6	-38.4	177.6	-56.3	0	0	0	0	113.1	K147 L149 E166 H170 L171 L172	K147-T168 PolarHBondContact NZ-OG1 3.49Å; L149-T168 HydrophobicContact CD1-CG2 3.89Å; E166-T168 PolarHBondContact O-N 3.37Å; T168-H170 VanDerWaalsContact C-N 3.26Å; T168-H170 PolarHBondContact O-N 3.01Å; T168-L171 PolarHBondContact O-N 3.49Å; T168-L172 PolarHBondContact O-N 2.87Å
169	S	94.1	Very high	95.7	Very high	41 Å²	41	22.8 Å²	22.8	29%	0.287	13%	0.125	S	C	.	.	H	α-helix	trans	-61.1	-32.9	175.2	60.7	0	0	0	0	113.2	P167 I173 M450	P167-S169 PolarHBondContact O-N 2.85Å; S169-I173 WeakPolarHBondContact O-CG1 3.31Å; S169-I173 PolarHBondContact O-N 3.29Å; S169-M450 WeakPolarHBondContact OG-CG 3.46Å
170	H	95	Very high	95.7	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.028	13%	0.127	C	C	.	.	H	α-helix	trans	-75.2	-36.7	178.2	-176.3	56.8	0	0	0	111.7	P167 T168 L172 I173 C174 V221 K446	P167-H170 HydrophobicContact CB-CB 4.14Å; P167-H170 WeakPolarHBondContact O-CB 3.4Å; P167-H170 PolarHBondContact O-N 3.49Å; T168-H170 VanDerWaalsContact C-N 3.26Å; T168-H170 PolarHBondContact O-N 3.01Å; H170-L172 VanDerWaalsContact C-N 3.35Å; H170-I173 WeakPolarHBondContact O-CB 3.47Å; H170-I173 PolarHBondContact O-N 3.45Å; H170-C174 PolarHBondContact O-N 3.38Å; H170-V221 VanDerWaalsContact CE1-CG1 3.46Å; H170-V221 WeakPolarHBondContact CE1-CG1 3.49Å; H170-V221 PolarHBondContact CE1-O 3.5Å; H170-K446 VanDerWaalsContact CE1-CE 3.45Å; H170-K446 WeakPolarHBondContact CE1-CE 3.43Å; H170-K446 PolarHBondContact CE1-NZ 3.31Å; H170-K446 WeakPolarHBondContact NE2-CE 3.31Å; H170-K446 PolarHBondContact NE2-NZ 3.36Å
171	L	96.8	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-40.7	174.1	-60.6	176.9	0	0	0	111.6	L95 K147 L149 A160 S162 E166 P167 T168 I173 C174 L175	L95-L171 HydrophobicContact CD1-CD2 3.54Å; L95-L171 HydrophobicContact CD2-CD2 4.24Å; K147-L171 HydrophobicContact CD-CD1 4.25Å; K147-L171 VanDerWaalsContact CE-CD1 3.44Å; L149-L171 HydrophobicContact CD2-CB 3.46Å; L149-L171 VanDerWaalsContact CD2-CB 3.46Å; A160-L171 HydrophobicContact CB-CB 4.33Å; A160-L171 HydrophobicContact CB-CD2 4.41Å; S162-L171 VanDerWaalsContact OG-CD1 3.26Å; S162-L171 WeakPolarHBondContact OG-CD1 3.44Å; E166-L171 HydrophobicContact CB-CD1 4.36Å; E166-L171 HydrophobicContact CB-CD2 4.25Å; E166-L171 HydrophobicContact CB-CG 4.41Å; P167-L171 PolarHBondContact O-N 2.9Å; T168-L171 PolarHBondContact O-N 3.49Å; L171-I173 VanDerWaalsContact C-N 3.31Å; L171-I173 PolarHBondContact O-N 3.21Å; L171-C174 WeakPolarHBondContact O-CB 3.15Å; L171-C174 PolarHBondContact O-N 2.97Å; L171-C174 VanDerWaalsContact O-N 3.13Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.02Å
172	L	97.4	Very high	95.5	Very high	79 Å²	79	22.6 Å²	22.6	41%	0.414	13%	0.125	S	C	.	.	H	α-helix	trans	-58	-43.6	172	-74.7	169.5	0	0	0	111.6	L149 V151 T168 H170 L175 E176	L149-L172 HydrophobicContact CD1-CD2 4.14Å; L149-L172 HydrophobicContact CD1-CG 4.4Å; L149-L172 HydrophobicContact CD2-CB 4.43Å; L149-L172 HydrophobicContact CD2-CD2 3.8Å; L149-L172 HydrophobicContact CD2-CG 3.76Å; L149-L172 HydrophobicContact CG-CD2 4.32Å; V151-L172 HydrophobicContact CG2-CD2 3.68Å; T168-L172 PolarHBondContact O-N 2.87Å; H170-L172 VanDerWaalsContact C-N 3.35Å; L172-L175 PolarHBondContact O-N 2.89Å; L172-E176 WeakPolarHBondContact O-CB 3.19Å; L172-E176 PolarHBondContact O-N 3.08Å
173	I	97.3	Very high	95.5	Very high	44 Å²	44	22.7 Å²	22.7	23%	0.226	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-44.9	174.4	-68.6	166.9	0	0	0	110.5	S169 H170 L171 L175 E176 Y177 V227	S169-I173 WeakPolarHBondContact O-CG1 3.31Å; S169-I173 PolarHBondContact O-N 3.29Å; H170-I173 WeakPolarHBondContact O-CB 3.47Å; H170-I173 PolarHBondContact O-N 3.45Å; L171-I173 VanDerWaalsContact C-N 3.31Å; L171-I173 PolarHBondContact O-N 3.21Å; I173-L175 PolarHBondContact O-N 2.71Å; I173-E176 PolarHBondContact O-N 3.37Å; I173-Y177 HydrophobicContact CG2-CD2 3.84Å; I173-Y177 HydrophobicContact CG2-CE2 3.84Å; I173-Y177 VanDerWaalsContact O-CD2 3.25Å; I173-Y177 WeakPolarHBondContact O-CD2 3.34Å; I173-Y177 PolarHBondContact O-N 2.89Å; I173-V227 HydrophobicContact CG2-CG1 3.63Å
174	C	97.6	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-49.9	177.9	-170.3	0	0	0	0	112.1	H170 L171 E176 Y177 V178 V221	H170-C174 PolarHBondContact O-N 3.38Å; L171-C174 WeakPolarHBondContact O-CB 3.15Å; L171-C174 PolarHBondContact O-N 2.97Å; L171-C174 VanDerWaalsContact O-N 3.13Å; C174-E176 VanDerWaalsContact C-N 3.35Å; C174-E176 PolarHBondContact O-N 2.96Å; C174-Y177 PolarHBondContact O-N 3.38Å; C174-Y177 VanDerWaalsContact O-N 3.15Å; C174-V178 WeakPolarHBondContact O-CG2 3.33Å; C174-V178 PolarHBondContact O-N 2.85Å; C174-V221 HydrophobicContact CB-CG1 3.81Å
175	L	98.3	Very high	95.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-62.8	-40.2	179	-63.7	178.3	0	0	0	112.1	I97 L149 V151 L158 A160 L171 L172 I173 Y177 V178 Y179	I97-L175 HydrophobicContact CD1-CD2 3.88Å; I97-L175 HydrophobicContact CG2-CD2 4.09Å; L149-L175 HydrophobicContact CD2-CD1 3.86Å; L149-L175 HydrophobicContact CG-CD1 4.14Å; V151-L175 HydrophobicContact CB-CD1 4.09Å; V151-L175 HydrophobicContact CG2-CB 4.32Å; V151-L175 HydrophobicContact CG2-CD1 3.62Å; L158-L175 HydrophobicContact CB-CB 4.37Å; L158-L175 HydrophobicContact CB-CD2 3.98Å; L158-L175 WeakPolarHBondContact CD2-O 3.46Å; A160-L175 HydrophobicContact CB-CD1 4.02Å; A160-L175 HydrophobicContact CB-CD2 3.93Å; A160-L175 HydrophobicContact CB-CG 4.07Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.02Å; L172-L175 PolarHBondContact O-N 2.89Å; I173-L175 PolarHBondContact O-N 2.71Å; L175-Y177 VanDerWaalsContact C-N 3.32Å; L175-Y177 PolarHBondContact O-N 2.82Å; L175-V178 PolarHBondContact O-N 2.94Å; L175-Y179 WeakPolarHBondContact O-CB 3.12Å; L175-Y179 PolarHBondContact O-N 2.8Å
176	E	97.8	Very high	95.6	Very high	51 Å²	51	18.4 Å²	18.4	24%	0.238	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-38.5	174.5	177.5	68.6	-169.1	0	0	111.9	L172 I173 C174 N180 K312	L172-E176 WeakPolarHBondContact O-CB 3.19Å; L172-E176 PolarHBondContact O-N 3.08Å; I173-E176 PolarHBondContact O-N 3.37Å; C174-E176 VanDerWaalsContact C-N 3.35Å; C174-E176 PolarHBondContact O-N 2.96Å; E176-N180 VanDerWaalsContact O-CB 3.29Å; E176-N180 WeakPolarHBondContact O-CB 3.38Å; E176-N180 PolarHBondContact O-N 3.27Å; E176-N180 PolarHBondContact O-ND2 3.28Å; E176-N180 PolarHBondContact OE1-ND2 3.07Å; E176-N180 VanDerWaalsContact OE1-ND2 3.12Å; E176-K312 IonicContact OE1-NZ 2.88Å; E176-K312 PolarHBondContact OE1-NZ 3.21Å
177	Y	98.1	Very high	95.6	Very high	10 Å²	10	17.5 Å²	17.5	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-70.7	-38.4	176.5	-90.6	-106.4	0	0	0	112.8	I173 C174 L175 N180 Q181 I217 V221 V227 H286	I173-Y177 HydrophobicContact CG2-CD2 3.84Å; I173-Y177 HydrophobicContact CG2-CE2 3.84Å; I173-Y177 VanDerWaalsContact O-CD2 3.25Å; I173-Y177 WeakPolarHBondContact O-CD2 3.34Å; I173-Y177 PolarHBondContact O-N 2.89Å; C174-Y177 PolarHBondContact O-N 3.38Å; C174-Y177 VanDerWaalsContact O-N 3.15Å; L175-Y177 VanDerWaalsContact C-N 3.32Å; L175-Y177 PolarHBondContact O-N 2.82Å; Y177-N180 PolarHBondContact O-N 2.95Å; Y177-Q181 WeakPolarHBondContact O-CB 3.43Å; Y177-Q181 PolarHBondContact O-N 3.17Å; Y177-I217 HydrophobicContact CD1-CD1 4.03Å; Y177-I217 HydrophobicContact CD1-CG1 4.08Å; Y177-V221 HydrophobicContact CD1-CG2 4.41Å; Y177-V221 HydrophobicContact CG-CG2 4.12Å; Y177-V227 HydrophobicContact CD1-CG1 4.41Å; Y177-V227 HydrophobicContact CD2-CG1 4.08Å; Y177-V227 HydrophobicContact CE1-CG1 4.12Å; Y177-V227 HydrophobicContact CE1-CG2 4.02Å; Y177-V227 HydrophobicContact CE2-CG1 3.77Å; Y177-V227 HydrophobicContact CG-CG1 4.38Å; Y177-H286 HydrophobicContact CE1-CB 3.68Å; Y177-H286 AromaticContact CE1-ND1 3.62Å; Y177-H286 AromaticContact CZ-ND1 3.64Å; Y177-H286 PolarHBondContact OH-ND1 3.07Å
178	V	97.2	Very high	95.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.5	-46.9	172.7	171.5	0	0	0	0	110.3	I97 V99 L158 C174 L175 Q181 I182 L214 I217 I218	I97-V178 HydrophobicContact CG2-CG1 4.45Å; I97-V178 HydrophobicContact CG2-CG2 4.35Å; V99-V178 HydrophobicContact CG2-CG1 3.76Å; L158-V178 HydrophobicContact CD2-CB 4.28Å; L158-V178 HydrophobicContact CD2-CG1 4Å; C174-V178 WeakPolarHBondContact O-CG2 3.33Å; C174-V178 PolarHBondContact O-N 2.85Å; L175-V178 PolarHBondContact O-N 2.94Å; V178-Q181 PolarHBondContact O-N 3.45Å; V178-I182 HydrophobicContact CG1-CD1 4.49Å; V178-I182 WeakPolarHBondContact O-CG1 3.31Å; V178-I182 PolarHBondContact O-N 3.23Å; V178-I182 VanDerWaalsContact O-N 3.11Å; V178-L214 HydrophobicContact CG1-CD2 4.37Å; V178-I217 HydrophobicContact CG2-CG2 4.16Å; V178-I218 HydrophobicContact CG2-CD1 4.03Å; V178-I218 HydrophobicContact CG2-CG1 3.56Å
179	Y	97.3	Very high	95.5	Very high	22 Å²	22	19.6 Å²	19.6	9%	0.086	10%	0.104	C	C	.	.	H	α-helix	trans	-58.9	-50.6	174.8	179.4	-102.6	0	0	0	111.8	R153 S154 L156 L158 L175 Q181 I182 I183 L188	R153-Y179 HydrophobicContact CB-CD2 3.74Å; R153-Y179 HydrophobicContact CB-CE1 4.37Å; R153-Y179 HydrophobicContact CB-CE2 3.38Å; R153-Y179 HydrophobicContact CB-CG 4.36Å; R153-Y179 HydrophobicContact CG-CD2 4.3Å; R153-Y179 HydrophobicContact CG-CE2 4.29Å; R153-Y179 HydrophobicContact CG-CG 4.47Å; S154-Y179 PolarHBondContact OG-OH 2.96Å; L156-Y179 HydrophobicContact CD1-CD2 4.01Å; L156-Y179 HydrophobicContact CD1-CE2 4.05Å; L158-Y179 HydrophobicContact CD1-CD2 4.14Å; L175-Y179 WeakPolarHBondContact O-CB 3.12Å; L175-Y179 PolarHBondContact O-N 2.8Å; Y179-Q181 PolarHBondContact O-N 2.99Å; Y179-I182 WeakPolarHBondContact O-CB 3.43Å; Y179-I182 PolarHBondContact O-N 3.42Å; Y179-I183 HydrophobicContact CD1-CG1 4.01Å; Y179-I183 HydrophobicContact CD2-CG1 4.46Å; Y179-I183 HydrophobicContact CE1-CD1 4.25Å; Y179-I183 HydrophobicContact CE1-CG1 3.58Å; Y179-I183 HydrophobicContact CE2-CD1 4.02Å; Y179-I183 HydrophobicContact CE2-CG1 4.09Å; Y179-I183 HydrophobicContact CG-CG1 4.43Å; Y179-I183 WeakPolarHBondContact O-CG1 3.4Å; Y179-I183 PolarHBondContact O-N 2.96Å; Y179-L188 WeakPolarHBondContact OH-CD1 3.35Å
180	N	97.2	Very high	95.4	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-60.9	-32.9	179.2	-75.3	-32.5	0	0	0	112.5	E176 Y177 I183 S184 V287 P311	E176-N180 VanDerWaalsContact O-CB 3.29Å; E176-N180 WeakPolarHBondContact O-CB 3.38Å; E176-N180 PolarHBondContact O-N 3.27Å; E176-N180 PolarHBondContact O-ND2 3.28Å; E176-N180 PolarHBondContact OE1-ND2 3.07Å; E176-N180 VanDerWaalsContact OE1-ND2 3.12Å; Y177-N180 PolarHBondContact O-N 2.95Å; N180-I183 PolarHBondContact O-N 3.19Å; N180-S184 WeakPolarHBondContact O-CB 3.33Å; N180-S184 PolarHBondContact O-N 2.93Å; N180-V287 HydrophobicContact CB-CG2 4.24Å; N180-P311 HydrophobicContact CB-CB 4.42Å; N180-P311 HydrophobicContact CB-CG 3.97Å; N180-P311 WeakPolarHBondContact O-CG 3.08Å; N180-P311 WeakPolarHBondContact OD1-CB 3.29Å
181	Q	95.8	Very high	95.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-67.4	-40.9	174.2	-168.2	65.8	71.9	0	0	111.9	Y177 V178 Y179 S184 S185 L213 L214 I217 N290	Y177-Q181 WeakPolarHBondContact O-CB 3.43Å; Y177-Q181 PolarHBondContact O-N 3.17Å; V178-Q181 PolarHBondContact O-N 3.45Å; Y179-Q181 PolarHBondContact O-N 2.99Å; Q181-S184 PolarHBondContact NE2-OG 2.93Å; Q181-S184 PolarHBondContact O-N 3.35Å; Q181-S184 PolarHBondContact O-OG 3.01Å; Q181-S185 PolarHBondContact O-N 3.47Å; Q181-L213 HydrophobicContact CG-CD1 4.37Å; Q181-L213 HydrophobicContact CG-CD2 3.89Å; Q181-L213 HydrophobicContact CG-CG 3.62Å; Q181-L213 VanDerWaalsContact NE2-CD2 3.35Å; Q181-L214 HydrophobicContact CB-CD2 3.96Å; Q181-L214 HydrophobicContact CG-CD2 3.92Å; Q181-I217 HydrophobicContact CB-CG2 4.13Å; Q181-I217 HydrophobicContact CG-CB 4.49Å; Q181-I217 HydrophobicContact CG-CG2 4.31Å; Q181-N290 PolarHBondContact OE1-ND2 3.34Å
182	I	94.7	Very high	94.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-47.6	173	-64.8	169.4	0	0	0	110.4	V99 L156 V178 Y179 S184 S185 L186 L207 L214	V99-I182 HydrophobicContact CG1-CD1 3.97Å; V99-I182 HydrophobicContact CG2-CD1 4.42Å; L156-I182 HydrophobicContact CD1-CD1 4.13Å; L156-I182 HydrophobicContact CD1-CG2 4.23Å; V178-I182 HydrophobicContact CG1-CD1 4.49Å; V178-I182 WeakPolarHBondContact O-CG1 3.31Å; V178-I182 PolarHBondContact O-N 3.23Å; V178-I182 VanDerWaalsContact O-N 3.11Å; Y179-I182 WeakPolarHBondContact O-CB 3.43Å; Y179-I182 PolarHBondContact O-N 3.42Å; I182-S184 PolarHBondContact O-N 3.43Å; I182-S185 PolarHBondContact O-N 2.64Å; I182-L186 HydrophobicContact CG2-CD1 4.43Å; I182-L186 PolarHBondContact O-N 3.12Å; I182-L186 VanDerWaalsContact O-N 3.17Å; I182-L207 HydrophobicContact CG1-CD1 4.47Å; I182-L207 HydrophobicContact CG2-CD1 4.43Å; I182-L207 HydrophobicContact CG2-CD2 4.39Å; I182-L214 HydrophobicContact CG1-CD1 4.36Å; I182-L214 HydrophobicContact CG1-CD2 3.83Å
183	I	95.1	Very high	94.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-32.3	177.7	-61.9	-47.7	0	0	0	111.1	Y179 N180 S185 L186 T187 L188 V191 C309 P311	Y179-I183 HydrophobicContact CD1-CG1 4.01Å; Y179-I183 HydrophobicContact CD2-CG1 4.46Å; Y179-I183 HydrophobicContact CE1-CD1 4.25Å; Y179-I183 HydrophobicContact CE1-CG1 3.58Å; Y179-I183 HydrophobicContact CE2-CD1 4.02Å; Y179-I183 HydrophobicContact CE2-CG1 4.09Å; Y179-I183 HydrophobicContact CG-CG1 4.43Å; Y179-I183 WeakPolarHBondContact O-CG1 3.4Å; Y179-I183 PolarHBondContact O-N 2.96Å; N180-I183 PolarHBondContact O-N 3.19Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.16Å; I183-L186 PolarHBondContact O-N 3.33Å; I183-T187 VanDerWaalsContact O-CA 3.31Å; I183-T187 WeakPolarHBondContact O-CA 3.4Å; I183-T187 PolarHBondContact O-N 3.16Å; I183-L188 HydrophobicContact CG2-CB 4.41Å; I183-V191 HydrophobicContact CD1-CG2 3.97Å; I183-C309 WeakPolarHBondContact O-CB 3.42Å; I183-P311 HydrophobicContact CB-CG 4.06Å; I183-P311 HydrophobicContact CG2-CB 4.12Å; I183-P311 HydrophobicContact CG2-CG 3.88Å
184	S	94.7	Very high	94.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-31	178.8	78.2	0	0	0	0	114.1	N180 Q181 I182 C309	N180-S184 WeakPolarHBondContact O-CB 3.33Å; N180-S184 PolarHBondContact O-N 2.93Å; Q181-S184 PolarHBondContact NE2-OG 2.93Å; Q181-S184 PolarHBondContact O-N 3.35Å; Q181-S184 PolarHBondContact O-OG 3.01Å; I182-S184 PolarHBondContact O-N 3.43Å; S184-C309 WeakPolarHBondContact CA-O 3.5Å; S184-C309 WeakPolarHBondContact CB-O 3.24Å; S184-C309 WeakPolarHBondContact O-CB 3.28Å; S184-C309 PolarHBondContact O-N 2.95Å
185	S	90.9	Very high	93.6	Very high	36 Å²	36	26.4 Å²	26.4	25%	0.252	12%	0.122	S	C	.	.	H	α-helix	trans	-82.2	-36.1	176.4	-58.6	0	0	0	0	112.1	Q181 I182 I183 D210 F318	Q181-S185 PolarHBondContact O-N 3.47Å; I182-S185 PolarHBondContact O-N 2.64Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.16Å; S185-D210 PolarHBondContact OG-OD2 3.03Å; S185-F318 WeakPolarHBondContact O-CZ 3.49Å
186	L	91.2	Very high	93.1	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.084	16%	0.155	C	C	.	.	H	α-helix	trans	-110.5	-27.5	-169.2	-63.7	177.8	0	0	0	115.5	I182 I183 R190 V191 L203 L206 L207	I182-L186 HydrophobicContact CG2-CD1 4.43Å; I182-L186 PolarHBondContact O-N 3.12Å; I182-L186 VanDerWaalsContact O-N 3.17Å; I183-L186 PolarHBondContact O-N 3.33Å; L186-R190 WeakPolarHBondContact O-CB 3.36Å; L186-R190 WeakPolarHBondContact O-CD 3.38Å; L186-R190 VanDerWaalsContact O-CG 3.27Å; L186-R190 WeakPolarHBondContact O-CG 3.45Å; L186-V191 HydrophobicContact CB-CG2 3.98Å; L186-V191 HydrophobicContact CD1-CG2 4.12Å; L186-L203 HydrophobicContact CD1-CD2 4.25Å; L186-L206 HydrophobicContact CD1-CB 4.3Å; L186-L206 HydrophobicContact CD2-CB 3.98Å; L186-L207 HydrophobicContact CD1-CD2 3.87Å; L186-L207 HydrophobicContact CD1-CG 4.36Å; L186-L207 HydrophobicContact CG-CD2 4.19Å
187	T	93.3	Very high	92.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	17%	0.17	C	C	.	.			trans	68.9	150.9	-158.3	73.2	0	0	0	0	113.7	I183 R190 V191 C309 A315 F318	I183-T187 VanDerWaalsContact O-CA 3.31Å; I183-T187 WeakPolarHBondContact O-CA 3.4Å; I183-T187 PolarHBondContact O-N 3.16Å; T187-R190 PolarHBondContact O-N 3.46Å; T187-R190 WeakPolarHBondContact OG1-CG 3.45Å; T187-R190 PolarHBondContact OG1-N 3.42Å; T187-V191 WeakPolarHBondContact O-CG2 3.25Å; T187-V191 PolarHBondContact O-N 3.05Å; T187-C309 HydrophobicContact CG2-CB 3.65Å; T187-A315 WeakPolarHBondContact CA-O 3.37Å; T187-A315 WeakPolarHBondContact CB-O 3.39Å; T187-F318 HydrophobicContact CG2-CD1 4.45Å; T187-F318 HydrophobicContact CG2-CD2 3.69Å; T187-F318 HydrophobicContact CG2-CE1 4.18Å; T187-F318 HydrophobicContact CG2-CE2 3.32Å; T187-F318 HydrophobicContact CG2-CG 4.24Å; T187-F318 HydrophobicContact CG2-CZ 3.62Å
188	L	94.6	Very high	91.9	Very high	34 Å²	34	41 Å²	41	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-49.6	176.3	173.3	61.2	0	0	0	111.1	S154 Y179 I183 R190 V191 E192 A315	S154-L188 VanDerWaalsContact OG-CD1 3.23Å; S154-L188 WeakPolarHBondContact OG-CD1 3.42Å; Y179-L188 WeakPolarHBondContact OH-CD1 3.35Å; I183-L188 HydrophobicContact CG2-CB 4.41Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.87Å; L188-V191 PolarHBondContact O-N 3.25Å; L188-V191 VanDerWaalsContact O-N 3.08Å; L188-E192 HydrophobicContact CD1-CG 4.05Å; L188-E192 PolarHBondContact O-N 2.86Å; L188-A315 HydrophobicContact CB-CB 4.02Å; L188-A315 WeakPolarHBondContact CB-O 3.28Å; L188-A315 HydrophobicContact CD2-CB 4.26Å; L188-A315 PolarHBondContact N-O 2.96Å
189	Q	91.9	Very high	91	Very high	55 Å²	55	44.1 Å²	44.1	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-57.2	-40.3	179.6	-172.5	177.7	28.8	0	0	112.8	K193 N316	Q189-K193 WeakPolarHBondContact O-CB 3.43Å; Q189-K193 PolarHBondContact O-N 3.3Å; Q189-N316 HydrophobicContact CB-CB 4.38Å; Q189-N316 PolarHBondContact N-OD1 3.26Å
190	R	90.5	Very high	90.1	Very high	111 Å²	111	48.4 Å²	48.4	42%	0.419	24%	0.243	S	C	.	.	H	α-helix	trans	-68.8	-40.6	176.7	-67.2	-169.2	-176.7	162.8	-5.4	111.5	L186 T187 L188 K193 Q194 F318	L186-R190 WeakPolarHBondContact O-CB 3.36Å; L186-R190 WeakPolarHBondContact O-CD 3.38Å; L186-R190 VanDerWaalsContact O-CG 3.27Å; L186-R190 WeakPolarHBondContact O-CG 3.45Å; T187-R190 PolarHBondContact O-N 3.46Å; T187-R190 WeakPolarHBondContact OG1-CG 3.45Å; T187-R190 PolarHBondContact OG1-N 3.42Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.87Å; R190-K193 PolarHBondContact O-N 2.92Å; R190-Q194 WeakPolarHBondContact O-CB 3.44Å; R190-Q194 WeakPolarHBondContact O-CG 3.11Å; R190-Q194 PolarHBondContact O-N 3.11Å; R190-F318 VanDerWaalsContact CZ-CE2 3.43Å; R190-F318 VanDerWaalsContact NH1-CE2 3.34Å
191	V	90.9	Very high	89.3	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-51.8	176.1	172.2	0	0	0	0	110.4	S154 I183 L186 T187 L188 Q194 F195	S154-V191 WeakPolarHBondContact O-CG1 3.44Å; I183-V191 HydrophobicContact CD1-CG2 3.97Å; L186-V191 HydrophobicContact CB-CG2 3.98Å; L186-V191 HydrophobicContact CD1-CG2 4.12Å; T187-V191 WeakPolarHBondContact O-CG2 3.25Å; T187-V191 PolarHBondContact O-N 3.05Å; L188-V191 PolarHBondContact O-N 3.25Å; L188-V191 VanDerWaalsContact O-N 3.08Å; V191-Q194 PolarHBondContact O-N 3.49Å; V191-F195 HydrophobicContact CG1-CD2 3.88Å; V191-F195 HydrophobicContact CG1-CE2 3.96Å; V191-F195 WeakPolarHBondContact O-CD2 3.37Å; V191-F195 PolarHBondContact O-N 3.27Å; V191-F195 VanDerWaalsContact O-N 3.09Å
192	E	91.9	Very high	88.4	Confident	76 Å²	76	50.9 Å²	50.9	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-46.7	-179.8	-68.6	179.1	161.7	0	0	112.4	S154 L188 Q194 F195 T196	S154-E192 PolarHBondContact OG-OE1 2.94Å; L188-E192 HydrophobicContact CD1-CG 4.05Å; L188-E192 PolarHBondContact O-N 2.86Å; E192-Q194 VanDerWaalsContact C-N 3.3Å; E192-Q194 PolarHBondContact O-N 3.25Å; E192-F195 PolarHBondContact O-N 2.9Å; E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 PolarHBondContact O-N 2.88Å; E192-T196 PolarHBondContact O-OG1 3.39Å
193	K	89.7	Confident	87.8	Confident	58 Å²	58	50.9 Å²	50.9	25%	0.252	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-40	178.6	-177.4	-179.8	176.2	-172.9	0	111.8	Q189 R190 R197	Q189-K193 WeakPolarHBondContact O-CB 3.43Å; Q189-K193 PolarHBondContact O-N 3.3Å; R190-K193 PolarHBondContact O-N 2.92Å; K193-R197 WeakPolarHBondContact O-CG 3.32Å; K193-R197 PolarHBondContact O-N 3.2Å; K193-R197 VanDerWaalsContact O-N 3.15Å
194	Q	86.9	Confident	87.1	Confident	56 Å²	56	54.5 Å²	54.5	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-70	-44.7	-178.1	-76.2	-63.3	-8.5	0	0	112.1	R190 V191 E192 R197 H198 L201 L206	R190-Q194 WeakPolarHBondContact O-CB 3.44Å; R190-Q194 WeakPolarHBondContact O-CG 3.11Å; R190-Q194 PolarHBondContact O-N 3.11Å; V191-Q194 PolarHBondContact O-N 3.49Å; E192-Q194 VanDerWaalsContact C-N 3.3Å; E192-Q194 PolarHBondContact O-N 3.25Å; Q194-R197 PolarHBondContact O-N 3.35Å; Q194-H198 PolarHBondContact O-N 3.02Å; Q194-L201 HydrophobicContact CB-CD2 3.6Å; Q194-L201 HydrophobicContact CG-CD2 4.31Å; Q194-L206 HydrophobicContact CG-CD1 4.27Å
195	F	88.7	Confident	86.2	Confident	11 Å²	11	60.1 Å²	60.1	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-33.5	175.4	-79.7	-66.2	0	0	0	113.4	I107 H155 L156 V191 E192 R197 H198 A199 L201 L203	I107-F195 HydrophobicContact CD1-CZ 4.47Å; H155-F195 HydrophobicContact CB-CB 3.84Å; H155-F195 HydrophobicContact CB-CD1 4.19Å; H155-F195 HydrophobicContact CB-CD2 3.38Å; H155-F195 HydrophobicContact CB-CE2 3.82Å; H155-F195 HydrophobicContact CB-CG 3.55Å; H155-F195 HydrophobicContact CB-CZ 4.42Å; H155-F195 AromaticContact CG-CD2 4Å; H155-F195 AromaticContact CG-CG 3.92Å; L156-F195 HydrophobicContact CD2-CE2 3.8Å; L156-F195 HydrophobicContact CD2-CZ 4.01Å; V191-F195 HydrophobicContact CG1-CD2 3.88Å; V191-F195 HydrophobicContact CG1-CE2 3.96Å; V191-F195 WeakPolarHBondContact O-CD2 3.37Å; V191-F195 PolarHBondContact O-N 3.27Å; V191-F195 VanDerWaalsContact O-N 3.09Å; E192-F195 PolarHBondContact O-N 2.9Å; F195-R197 VanDerWaalsContact C-N 3.29Å; F195-R197 PolarHBondContact O-N 3.16Å; F195-H198 CarbonylContact O-C 3.58Å; F195-H198 VanDerWaalsContact O-C 3.28Å; F195-H198 PolarHBondContact O-N 3.25Å; F195-A199 WeakPolarHBondContact O-CA 3.5Å; F195-A199 PolarHBondContact O-N 3.26Å; F195-A199 VanDerWaalsContact O-N 3.16Å; F195-L201 HydrophobicContact CD1-CB 4.47Å; F195-L201 HydrophobicContact CE1-CB 4.44Å; F195-L203 HydrophobicContact CE1-CG 4.49Å; F195-L203 HydrophobicContact CE2-CD1 3.35Å; F195-L203 HydrophobicContact CE2-CD2 4.39Å; F195-L203 HydrophobicContact CE2-CG 3.85Å; F195-L203 HydrophobicContact CZ-CD1 3.45Å; F195-L203 VanDerWaalsContact CZ-CD1 3.45Å; F195-L203 HydrophobicContact CZ-CD2 4.48Å; F195-L203 HydrophobicContact CZ-CG 3.61Å
196	T	87.7	Confident	85.3	Confident	113 Å²	113	61.9 Å²	61.9	69%	0.693	30%	0.3	S	S	*	.	H	α-helix	trans	-63.1	-36.7	173.9	-57.4	0	0	0	0	111.7	E192	E192-T196 WeakPolarHBondContact O-CB 3.36Å; E192-T196 PolarHBondContact O-N 2.88Å; E192-T196 PolarHBondContact O-OG1 3.39Å
197	R	85.8	Confident	84.5	Confident	144 Å²	144	61.6 Å²	61.6	54%	0.543	30%	0.298	S	S	.	.	H	α-helix	trans	-78.7	-39.3	177.7	-73.6	176.7	174.3	-167.9	-6.6	112.7	K193 Q194 F195	K193-R197 WeakPolarHBondContact O-CG 3.32Å; K193-R197 PolarHBondContact O-N 3.2Å; K193-R197 VanDerWaalsContact O-N 3.15Å; Q194-R197 PolarHBondContact O-N 3.35Å; F195-R197 VanDerWaalsContact C-N 3.29Å; F195-R197 PolarHBondContact O-N 3.16Å
198	H	83.5	Confident	82.6	Confident	111 Å²	111	67.1 Å²	67.1	51%	0.514	33%	0.332	S	S	.	.			trans	-136.1	87	-175.1	-58.9	-64.5	0	0	0	109.4	Q194 F195 N200 L201	Q194-H198 PolarHBondContact O-N 3.02Å; F195-H198 CarbonylContact O-C 3.58Å; F195-H198 VanDerWaalsContact O-C 3.28Å; F195-H198 PolarHBondContact O-N 3.25Å; H198-N200 PolarHBondContact O-N 2.83Å; H198-N200 VanDerWaalsContact O-N 3.1Å; H198-L201 HydrophobicContact CB-CB 3.99Å; H198-L201 WeakPolarHBondContact O-CB 3.35Å; H198-L201 PolarHBondContact O-N 3.02Å
199	A	79.2	Confident	81	Confident	67 Å²	67	68.4 Å²	68.4	55%	0.554	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.9	179.7	0	0	0	0	0	112.8	F195 L201	F195-A199 WeakPolarHBondContact O-CA 3.5Å; F195-A199 PolarHBondContact O-N 3.26Å; F195-A199 VanDerWaalsContact O-N 3.16Å; A199-L201 VanDerWaalsContact C-N 3.34Å
200	N	78.8	Confident	79.7	Confident	111 Å²	111	67.5 Å²	67.5	59%	0.594	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	22.8	176.8	-68.9	-27	0	0	0	113.1	K105 H198 D202	K105-N200 WeakPolarHBondContact CD-O 3.44Å; K105-N200 VanDerWaalsContact CE-O 3.22Å; K105-N200 WeakPolarHBondContact CE-O 3.32Å; K105-N200 PolarHBondContact NZ-O 3.14Å; H198-N200 PolarHBondContact O-N 2.83Å; H198-N200 VanDerWaalsContact O-N 3.1Å; N200-D202 PolarHBondContact O-N 3.49Å
201	L	80.3	Confident	79.2	Confident	32 Å²	32	65.5 Å²	65.5	17%	0.168	35%	0.348	C	S	.	.			trans	-62.6	136.3	179.1	-177.5	64.9	0	0	0	111.4	Q194 F195 H198 A199 L203 L206	Q194-L201 HydrophobicContact CB-CD2 3.6Å; Q194-L201 HydrophobicContact CG-CD2 4.31Å; F195-L201 HydrophobicContact CD1-CB 4.47Å; F195-L201 HydrophobicContact CE1-CB 4.44Å; H198-L201 HydrophobicContact CB-CB 3.99Å; H198-L201 WeakPolarHBondContact O-CB 3.35Å; H198-L201 PolarHBondContact O-N 3.02Å; A199-L201 VanDerWaalsContact C-N 3.34Å; L201-L203 HydrophobicContact CD2-CD2 3.83Å; L201-L203 PolarHBondContact O-N 3.46Å; L201-L206 HydrophobicContact CD2-CD1 4.16Å
202	D	77	Confident	79	Confident	29 Å²	29	73.5 Å²	73.5	16%	0.155	38%	0.378	C	S	.	.			trans	-90.4	97.6	166.5	-171.8	-7.4	0	0	0	110	N200 R204 K205	N200-D202 PolarHBondContact O-N 3.49Å; D202-R204 PolarHBondContact O-N 2.83Å; D202-R204 VanDerWaalsContact O-N 3.14Å; D202-R204 WeakPolarHBondContact OD1-CB 3.45Å; D202-R204 VanDerWaalsContact OD1-CG 3.23Å; D202-R204 WeakPolarHBondContact OD1-CG 3.43Å; D202-R204 IonicContact OD1-CZ 3.98Å; D202-R204 PolarHBondContact OD1-N 2.99Å; D202-R204 IonicContact OD1-NE 3.87Å; D202-R204 PolarHBondContact OD1-NE 3.03Å; D202-R204 IonicContact OD1-NH2 3.18Å; D202-R204 IonicContact OD2-CZ 2.84Å; D202-R204 VanDerWaalsContact OD2-CZ 3.29Å; D202-R204 IonicContact OD2-NE 2.86Å; D202-R204 PolarHBondContact OD2-NE 3.49Å; D202-R204 VanDerWaalsContact OD2-NE 3.07Å; D202-R204 IonicContact OD2-NH2 3.67Å; D202-R204 PolarHBondContact OD2-NH2 2.89Å; D202-K205 PolarHBondContact O-N 3.15Å
203	L	82.1	Confident	78.9	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62	-17.2	178.4	-82.9	-172.8	0	0	0	113.8	I107 L156 L186 F195 L201 K205 L206 L207	I107-L203 HydrophobicContact CD1-CB 4.16Å; I107-L203 HydrophobicContact CD1-CD1 3.93Å; I107-L203 HydrophobicContact CD1-CG 4.45Å; I107-L203 HydrophobicContact CG1-CB 4.21Å; I107-L203 HydrophobicContact CG2-CB 4.24Å; L156-L203 HydrophobicContact CD2-CD1 3.74Å; L186-L203 HydrophobicContact CD1-CD2 4.25Å; F195-L203 HydrophobicContact CE1-CG 4.49Å; F195-L203 HydrophobicContact CE2-CD1 3.35Å; F195-L203 HydrophobicContact CE2-CD2 4.39Å; F195-L203 HydrophobicContact CE2-CG 3.85Å; F195-L203 HydrophobicContact CZ-CD1 3.45Å; F195-L203 VanDerWaalsContact CZ-CD1 3.45Å; F195-L203 HydrophobicContact CZ-CD2 4.48Å; F195-L203 HydrophobicContact CZ-CG 3.61Å; L201-L203 HydrophobicContact CD2-CD2 3.83Å; L201-L203 PolarHBondContact O-N 3.46Å; L203-K205 PolarHBondContact O-N 3.13Å; L203-K205 VanDerWaalsContact O-N 3.16Å; L203-L206 HydrophobicContact CD2-CB 4.48Å; L203-L206 HydrophobicContact CD2-CD1 3.76Å; L203-L206 HydrophobicContact CD2-CG 4.48Å; L203-L206 WeakPolarHBondContact O-CA 3.19Å; L203-L206 PolarHBondContact O-N 2.92Å; L203-L207 PolarHBondContact O-N 3.06Å
204	R	79.8	Confident	79.2	Confident	78 Å²	78	67.5 Å²	67.5	29%	0.294	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.4	176.6	-63.2	177.3	-66	178.3	1.5	111.6	P106 I107 D202 L206 L207 V208	P106-R204 VanDerWaalsContact O-CD 3.29Å; P106-R204 WeakPolarHBondContact O-CD 3.19Å; P106-R204 PolarHBondContact O-NE 3.43Å; I107-R204 WeakPolarHBondContact O-CG 3.39Å; D202-R204 PolarHBondContact O-N 2.83Å; D202-R204 VanDerWaalsContact O-N 3.14Å; D202-R204 WeakPolarHBondContact OD1-CB 3.45Å; D202-R204 VanDerWaalsContact OD1-CG 3.23Å; D202-R204 WeakPolarHBondContact OD1-CG 3.43Å; D202-R204 IonicContact OD1-CZ 3.98Å; D202-R204 PolarHBondContact OD1-N 2.99Å; D202-R204 IonicContact OD1-NE 3.87Å; D202-R204 PolarHBondContact OD1-NE 3.03Å; D202-R204 IonicContact OD1-NH2 3.18Å; D202-R204 IonicContact OD2-CZ 2.84Å; D202-R204 VanDerWaalsContact OD2-CZ 3.29Å; D202-R204 IonicContact OD2-NE 2.86Å; D202-R204 PolarHBondContact OD2-NE 3.49Å; D202-R204 VanDerWaalsContact OD2-NE 3.07Å; D202-R204 IonicContact OD2-NH2 3.67Å; D202-R204 PolarHBondContact OD2-NH2 2.89Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 2.67Å; R204-L207 CarbonylContact O-C 3.56Å; R204-L207 PolarHBondContact O-N 3.03Å; R204-V208 VanDerWaalsContact O-CG2 3.29Å; R204-V208 WeakPolarHBondContact O-CG2 3.16Å; R204-V208 PolarHBondContact O-N 3.04Å; R204-V208 VanDerWaalsContact O-N 3.16Å
205	K	75.7	Confident	79.4	Confident	119 Å²	119	66.5 Å²	66.5	52%	0.517	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-66.8	-24.6	175.7	-62.9	-174.3	-179.3	-178.8	0	113.2	E19 D202 L203 V208	E19-K205 IonicContact OE2-NZ 3.98Å; D202-K205 PolarHBondContact O-N 3.15Å; L203-K205 PolarHBondContact O-N 3.13Å; L203-K205 VanDerWaalsContact O-N 3.16Å; K205-V208 VanDerWaalsContact O-CG2 3.25Å; K205-V208 WeakPolarHBondContact O-CG2 3.34Å
206	L	72.2	Confident	79.7	Confident	74 Å²	74	67.4 Å²	67.4	39%	0.387	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-18.9	175.5	-61.3	-176.3	0	0	0	112.7	L186 Q194 L201 L203 R204	L186-L206 HydrophobicContact CD1-CB 4.3Å; L186-L206 HydrophobicContact CD2-CB 3.98Å; Q194-L206 HydrophobicContact CG-CD1 4.27Å; L201-L206 HydrophobicContact CD2-CD1 4.16Å; L203-L206 HydrophobicContact CD2-CB 4.48Å; L203-L206 HydrophobicContact CD2-CD1 3.76Å; L203-L206 HydrophobicContact CD2-CG 4.48Å; L203-L206 WeakPolarHBondContact O-CA 3.19Å; L203-L206 PolarHBondContact O-N 2.92Å; R204-L206 VanDerWaalsContact C-N 3.26Å; R204-L206 PolarHBondContact O-N 2.67Å
207	L	74.6	Confident	80.1	Confident	9 Å²	9	62 Å²	62	5%	0.047	33%	0.325	C	S	.	.	S	Bend	trans	-102.8	20.7	177.5	-62.5	176.4	0	0	0	112.5	I107 I182 L186 L203 R204 G209 D210	I107-L207 HydrophobicContact CG2-CD1 3.75Å; I182-L207 HydrophobicContact CG1-CD1 4.47Å; I182-L207 HydrophobicContact CG2-CD1 4.43Å; I182-L207 HydrophobicContact CG2-CD2 4.39Å; L186-L207 HydrophobicContact CD1-CD2 3.87Å; L186-L207 HydrophobicContact CD1-CG 4.36Å; L186-L207 HydrophobicContact CG-CD2 4.19Å; L203-L207 PolarHBondContact O-N 3.06Å; R204-L207 CarbonylContact O-C 3.56Å; R204-L207 PolarHBondContact O-N 3.03Å; L207-G209 PolarHBondContact O-N 2.86Å; L207-D210 HydrophobicContact CB-CB 4.29Å; L207-D210 WeakPolarHBondContact O-CB 3.36Å; L207-D210 PolarHBondContact O-N 3.39Å
208	V	52.9	Low	80.6	Confident	120 Å²	120	55.1 Å²	55.1	73%	0.727	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	111.8	-173.8	176.3	0	0	0	0	110.5	R204 K205	R204-V208 VanDerWaalsContact O-CG2 3.29Å; R204-V208 WeakPolarHBondContact O-CG2 3.16Å; R204-V208 PolarHBondContact O-N 3.04Å; R204-V208 VanDerWaalsContact O-N 3.16Å; K205-V208 VanDerWaalsContact O-CG2 3.25Å; K205-V208 WeakPolarHBondContact O-CG2 3.34Å
209	G	60.3	Low	81.1	Confident	61 Å²	61	52.7 Å²	52.7	63%	0.629	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.6	-14.1	-178.2	0	0	0	0	0	115.3	L207 N211	L207-G209 PolarHBondContact O-N 2.86Å; G209-N211 VanDerWaalsContact C-N 3.32Å; G209-N211 PolarHBondContact O-N 3.25Å
210	D	66.2	Low	81.9	Confident	35 Å²	35	51 Å²	51	19%	0.187	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	0.5	-173.9	-81.3	-12.4	0	0	0	114.5	S185 L207 R212 L213 L214	S185-D210 PolarHBondContact OG-OD2 3.03Å; L207-D210 HydrophobicContact CB-CB 4.29Å; L207-D210 WeakPolarHBondContact O-CB 3.36Å; L207-D210 PolarHBondContact O-N 3.39Å; D210-R212 PolarHBondContact O-N 3.05Å; D210-L213 HydrophobicContact CB-CB 4.11Å; D210-L213 HydrophobicContact CB-CD2 4.3Å; D210-L213 WeakPolarHBondContact O-CA 3.29Å; D210-L213 VanDerWaalsContact O-CB 3.3Å; D210-L213 WeakPolarHBondContact O-CB 3.38Å; D210-L213 PolarHBondContact O-N 2.62Å; D210-L213 WeakPolarHBondContact OD1-CD2 3.45Å; D210-L214 PolarHBondContact O-N 2.94Å
211	N	79.8	Confident	82.7	Confident	70 Å²	70	45.8 Å²	45.8	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-35.9	171.9	-80.4	9.4	0	0	0	111.5	Y108 E114 G209 S215	Y108-N211 HydrophobicContact CE2-CB 4.35Å; E114-N211 PolarHBondContact OE1-ND2 3.47Å; G209-N211 VanDerWaalsContact C-N 3.32Å; G209-N211 PolarHBondContact O-N 3.25Å; N211-S215 VanDerWaalsContact O-CB 3.23Å; N211-S215 WeakPolarHBondContact O-CB 3.41Å; N211-S215 PolarHBondContact O-N 2.92Å; N211-S215 PolarHBondContact O-OG 2.85Å
212	R	86.1	Confident	83.3	Confident	169 Å²	169	46.1 Å²	46.1	64%	0.638	24%	0.242	S	C	*	.	H	α-helix	trans	-67.3	-39.1	173.4	-67.6	-178.4	-178.4	173.2	1.7	111.9	D210 S215 S216	D210-R212 PolarHBondContact O-N 3.05Å; R212-S215 PolarHBondContact O-N 3.45Å; R212-S216 WeakPolarHBondContact O-CB 3.25Å; R212-S216 PolarHBondContact O-N 3.11Å
213	L	90.5	Very high	84	Confident	5 Å²	5	51 Å²	51	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-45.8	179.7	-174	65.9	0	0	0	111.4	Q181 D210 S216 I217 N290 L291	Q181-L213 HydrophobicContact CG-CD1 4.37Å; Q181-L213 HydrophobicContact CG-CD2 3.89Å; Q181-L213 HydrophobicContact CG-CG 3.62Å; Q181-L213 VanDerWaalsContact NE2-CD2 3.35Å; D210-L213 HydrophobicContact CB-CB 4.11Å; D210-L213 HydrophobicContact CB-CD2 4.3Å; D210-L213 WeakPolarHBondContact O-CA 3.29Å; D210-L213 VanDerWaalsContact O-CB 3.3Å; D210-L213 WeakPolarHBondContact O-CB 3.38Å; D210-L213 PolarHBondContact O-N 2.62Å; D210-L213 WeakPolarHBondContact OD1-CD2 3.45Å; L213-S216 PolarHBondContact O-N 3.34Å; L213-I217 PolarHBondContact O-N 3.46Å; L213-N290 VanDerWaalsContact CD1-ND2 3.34Å; L213-N290 WeakPolarHBondContact CD1-ND2 3.4Å; L213-N290 PolarHBondContact O-ND2 3.26Å; L213-L291 HydrophobicContact CD1-CB 4.14Å; L213-L291 HydrophobicContact CD1-CD1 3.84Å; L213-L291 HydrophobicContact CD2-CD1 3.95Å
214	L	94.2	Very high	84.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-41.3	175.3	-62.3	-176.6	0	0	0	111.8	Y108 V178 Q181 I182 D210 S216 I217 I218	Y108-L214 HydrophobicContact CD1-CB 4.42Å; Y108-L214 HydrophobicContact CD1-CD1 4.16Å; Y108-L214 HydrophobicContact CD2-CB 3.99Å; Y108-L214 HydrophobicContact CD2-CD1 3.65Å; Y108-L214 HydrophobicContact CD2-CG 4.44Å; Y108-L214 HydrophobicContact CE1-CB 4.15Å; Y108-L214 HydrophobicContact CE2-CB 3.69Å; Y108-L214 HydrophobicContact CE2-CD1 4.25Å; Y108-L214 HydrophobicContact CG-CB 4.33Å; Y108-L214 HydrophobicContact CG-CD1 3.58Å; V178-L214 HydrophobicContact CG1-CD2 4.37Å; Q181-L214 HydrophobicContact CB-CD2 3.96Å; Q181-L214 HydrophobicContact CG-CD2 3.92Å; I182-L214 HydrophobicContact CG1-CD1 4.36Å; I182-L214 HydrophobicContact CG1-CD2 3.83Å; D210-L214 PolarHBondContact O-N 2.94Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 2.88Å; L214-I217 VanDerWaalsContact O-CG2 3.3Å; L214-I217 WeakPolarHBondContact O-CG2 3.47Å; L214-I217 PolarHBondContact O-N 3.28Å; L214-I218 WeakPolarHBondContact O-CD1 3.43Å; L214-I218 VanDerWaalsContact O-CG1 3.25Å; L214-I218 WeakPolarHBondContact O-CG1 3.47Å; L214-I218 PolarHBondContact O-N 3.2Å
215	S	92.8	Very high	85.4	Confident	34 Å²	34	49.7 Å²	49.7	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-40.3	175.9	-55.2	0	0	0	0	111.7	Y108 N211 R212 I218 N219	Y108-S215 VanDerWaalsContact OH-CA 3.31Å; Y108-S215 WeakPolarHBondContact OH-CA 3.48Å; Y108-S215 PolarHBondContact OH-N 3.32Å; Y108-S215 PolarHBondContact OH-OG 3.4Å; N211-S215 VanDerWaalsContact O-CB 3.23Å; N211-S215 WeakPolarHBondContact O-CB 3.41Å; N211-S215 PolarHBondContact O-N 2.92Å; N211-S215 PolarHBondContact O-OG 2.85Å; R212-S215 PolarHBondContact O-N 3.45Å; S215-I218 PolarHBondContact O-N 3.32Å; S215-N219 PolarHBondContact O-N 3.5Å; S215-N219 PolarHBondContact O-ND2 2.84Å; S215-N219 PolarHBondContact O-OD1 3.05Å
216	S	94	Very high	86.4	Confident	30 Å²	30	44 Å²	44	21%	0.21	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-38.6	179	-171.5	0	0	0	0	112.3	R212 L213 L214 I218 N219 R220 N290 S294	R212-S216 WeakPolarHBondContact O-CB 3.25Å; R212-S216 PolarHBondContact O-N 3.11Å; L213-S216 PolarHBondContact O-N 3.34Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 2.88Å; S216-I218 VanDerWaalsContact C-N 3.33Å; S216-I218 PolarHBondContact O-N 3.16Å; S216-N219 PolarHBondContact O-N 3.47Å; S216-R220 WeakPolarHBondContact O-CB 3.36Å; S216-R220 PolarHBondContact O-N 3.38Å; S216-N290 VanDerWaalsContact CB-OD1 3.29Å; S216-N290 WeakPolarHBondContact CB-OD1 3.43Å; S216-N290 PolarHBondContact O-OD1 3.48Å; S216-N290 PolarHBondContact OG-OD1 2.77Å; S216-S294 WeakPolarHBondContact CB-OG 3.47Å; S216-S294 PolarHBondContact OG-OG 2.99Å
217	I	96.3	Very high	87.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-36.8	176.7	-159.9	68.2	0	0	0	111.3	Y177 V178 Q181 L213 L214 R220 V221 N290	Y177-I217 HydrophobicContact CD1-CD1 4.03Å; Y177-I217 HydrophobicContact CD1-CG1 4.08Å; V178-I217 HydrophobicContact CG2-CG2 4.16Å; Q181-I217 HydrophobicContact CB-CG2 4.13Å; Q181-I217 HydrophobicContact CG-CB 4.49Å; Q181-I217 HydrophobicContact CG-CG2 4.31Å; L213-I217 PolarHBondContact O-N 3.46Å; L214-I217 VanDerWaalsContact O-CG2 3.3Å; L214-I217 WeakPolarHBondContact O-CG2 3.47Å; L214-I217 PolarHBondContact O-N 3.28Å; I217-R220 WeakPolarHBondContact O-CB 3.42Å; I217-R220 PolarHBondContact O-N 3.26Å; I217-V221 WeakPolarHBondContact O-CG2 3.2Å; I217-V221 PolarHBondContact O-N 3.21Å; I217-N290 WeakPolarHBondContact CA-OD1 3.39Å; I217-N290 WeakPolarHBondContact CB-ND2 3.32Å; I217-N290 HydrophobicContact CD1-CB 3.54Å; I217-N290 PolarHBondContact N-OD1 2.93Å; I217-N290 VanDerWaalsContact N-OD1 3.11Å
218	I	96.2	Very high	88.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-46.5	175.8	-61.9	161.1	0	0	0	110.3	L95 I97 Y108 R110 V178 L214 S215 S216 R220 V221 E222	L95-I218 HydrophobicContact CD2-CG2 4.46Å; I97-I218 HydrophobicContact CB-CD1 3.84Å; I97-I218 HydrophobicContact CG1-CD1 3.69Å; I97-I218 HydrophobicContact CG1-CG1 4.13Å; I97-I218 HydrophobicContact CG1-CG2 4.29Å; I97-I218 HydrophobicContact CG2-CD1 4.31Å; Y108-I218 HydrophobicContact CE1-CD1 3.72Å; R110-I218 HydrophobicContact CB-CD1 4.35Å; R110-I218 HydrophobicContact CG-CD1 4.17Å; V178-I218 HydrophobicContact CG2-CD1 4.03Å; V178-I218 HydrophobicContact CG2-CG1 3.56Å; L214-I218 WeakPolarHBondContact O-CD1 3.43Å; L214-I218 VanDerWaalsContact O-CG1 3.25Å; L214-I218 WeakPolarHBondContact O-CG1 3.47Å; L214-I218 PolarHBondContact O-N 3.2Å; S215-I218 PolarHBondContact O-N 3.32Å; S216-I218 VanDerWaalsContact C-N 3.33Å; S216-I218 PolarHBondContact O-N 3.16Å; I218-R220 VanDerWaalsContact C-N 3.27Å; I218-R220 PolarHBondContact O-N 2.86Å; I218-V221 WeakPolarHBondContact O-CB 3.22Å; I218-V221 PolarHBondContact O-N 3.04Å; I218-V221 VanDerWaalsContact O-N 3.15Å; I218-E222 PolarHBondContact O-N 3.31Å
219	N	94.3	Very high	90.7	Very high	59 Å²	59	34.8 Å²	34.8	32%	0.316	19%	0.185	S	C	.	.	H	α-helix	trans	-58.3	-42.6	175.9	-65.4	-12.5	0	0	0	111	R110 S215 S216 V221 E222 E223	R110-N219 PolarHBondContact NH2-OD1 3.41Å; S215-N219 PolarHBondContact O-N 3.5Å; S215-N219 PolarHBondContact O-ND2 2.84Å; S215-N219 PolarHBondContact O-OD1 3.05Å; S216-N219 PolarHBondContact O-N 3.47Å; N219-V221 PolarHBondContact O-N 3.14Å; N219-E222 PolarHBondContact O-N 3.27Å; N219-E222 VanDerWaalsContact O-N 3.11Å; N219-E223 WeakPolarHBondContact O-CB 3.45Å; N219-E223 VanDerWaalsContact O-CG 3.31Å; N219-E223 WeakPolarHBondContact O-CG 3.43Å; N219-E223 PolarHBondContact O-N 3.41Å
220	R	95.3	Very high	92.5	Very high	33 Å²	33	35.9 Å²	35.9	13%	0.125	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-41.7	175.9	178.8	168.5	-84.5	84.2	5.2	112.8	S216 I217 I218 E222 E223 T224 V227 D267 N290	S216-R220 WeakPolarHBondContact O-CB 3.36Å; S216-R220 PolarHBondContact O-N 3.38Å; I217-R220 WeakPolarHBondContact O-CB 3.42Å; I217-R220 PolarHBondContact O-N 3.26Å; I218-R220 VanDerWaalsContact C-N 3.27Å; I218-R220 PolarHBondContact O-N 2.86Å; R220-E222 VanDerWaalsContact C-N 3.26Å; R220-E222 PolarHBondContact O-N 3.02Å; R220-E223 PolarHBondContact O-N 3.24Å; R220-T224 HydrophobicContact CG-CG2 3.93Å; R220-T224 WeakPolarHBondContact O-CB 3.48Å; R220-T224 WeakPolarHBondContact O-CG2 3.33Å; R220-T224 PolarHBondContact O-N 3.33Å; R220-T224 PolarHBondContact O-OG1 3.19Å; R220-V227 HydrophobicContact CG-CG2 4.21Å; R220-D267 IonicContact CZ-OD2 3.86Å; R220-D267 IonicContact NE-OD2 2.92Å; R220-D267 IonicContact NH2-OD2 3.85Å; R220-D267 PolarHBondContact NH2-OD2 2.99Å; R220-N290 PolarHBondContact NH1-OD1 3.03Å
221	V	95.5	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-38.7	174.6	174.4	0	0	0	0	111	H170 C174 Y177 I217 I218 N219 V227 K446	H170-V221 VanDerWaalsContact CE1-CG1 3.46Å; H170-V221 WeakPolarHBondContact CE1-CG1 3.49Å; H170-V221 PolarHBondContact CE1-O 3.5Å; C174-V221 HydrophobicContact CB-CG1 3.81Å; Y177-V221 HydrophobicContact CD1-CG2 4.41Å; Y177-V221 HydrophobicContact CG-CG2 4.12Å; I217-V221 WeakPolarHBondContact O-CG2 3.2Å; I217-V221 PolarHBondContact O-N 3.21Å; I218-V221 WeakPolarHBondContact O-CB 3.22Å; I218-V221 PolarHBondContact O-N 3.04Å; I218-V221 VanDerWaalsContact O-N 3.15Å; N219-V221 PolarHBondContact O-N 3.14Å; V221-V227 HydrophobicContact CB-CG1 4.07Å; V221-V227 HydrophobicContact CG1-CG1 3.92Å; V221-V227 HydrophobicContact CG2-CG1 3.79Å; V221-K446 PolarHBondContact O-NZ 3.34Å
222	E	92.7	Very high	94.9	Very high	40 Å²	40	31.6 Å²	31.6	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-72.4	-42.3	-179.9	-73.5	-177.5	144.5	0	0	112.9	L95 R110 I218 N219 R220 K446	L95-E222 WeakPolarHBondContact CB-OE1 3.33Å; L95-E222 HydrophobicContact CD2-CG 4.39Å; R110-E222 IonicContact CZ-OE1 3.51Å; R110-E222 IonicContact CZ-OE2 2.61Å; R110-E222 VanDerWaalsContact NH1-CD 3.28Å; R110-E222 IonicContact NH1-OE1 3.25Å; R110-E222 PolarHBondContact NH1-OE1 2.99Å; R110-E222 IonicContact NH1-OE2 3.71Å; R110-E222 PolarHBondContact NH1-OE2 2.76Å; R110-E222 IonicContact NH2-OE1 3.54Å; R110-E222 IonicContact NH2-OE2 3.58Å; R110-E222 PolarHBondContact NH2-OE2 2.84Å; I218-E222 PolarHBondContact O-N 3.31Å; N219-E222 PolarHBondContact O-N 3.27Å; N219-E222 VanDerWaalsContact O-N 3.11Å; R220-E222 VanDerWaalsContact C-N 3.26Å; R220-E222 PolarHBondContact O-N 3.02Å; E222-K446 PolarHBondContact O-NZ 2.84Å
223	E	92	Very high	95.4	Very high	131 Å²	131	24 Å²	24	61%	0.612	13%	0.127	S	C	*	.	H	α-helix	trans	-95.4	-21.3	-166.1	-66.2	173.5	177.8	0	0	114.3	N219 R220	N219-E223 WeakPolarHBondContact O-CB 3.45Å; N219-E223 VanDerWaalsContact O-CG 3.31Å; N219-E223 WeakPolarHBondContact O-CG 3.43Å; N219-E223 PolarHBondContact O-N 3.41Å; R220-E223 PolarHBondContact O-N 3.24Å
224	T	94.3	Very high	95.7	Very high	36 Å²	36	23.8 Å²	23.8	22%	0.221	13%	0.126	C	C	.	.			trans	-106.4	147.7	-173.1	71.2	0	0	0	0	113.6	R220 V227	R220-T224 HydrophobicContact CG-CG2 3.93Å; R220-T224 WeakPolarHBondContact O-CB 3.48Å; R220-T224 WeakPolarHBondContact O-CG2 3.33Å; R220-T224 PolarHBondContact O-N 3.33Å; R220-T224 PolarHBondContact O-OG1 3.19Å; T224-V227 WeakPolarHBondContact OG1-CG2 3.42Å
225	F	97.3	Very high	95.9	Very high	15 Å²	15	23.7 Å²	23.7	7%	0.066	13%	0.125	C	C	.	.	H	α-helix	trans	-76.6	-35.3	176	-58	-73.3	0	0	0	112.7	V227 F228 L229 H386 V388 Y397 A399 W402 L442 Y445	F225-V227 PolarHBondContact O-N 3.29Å; F225-F228 HydrophobicContact CB-CE1 4.16Å; F225-F228 AromaticContact CD1-CE1 3.77Å; F225-F228 HydrophobicContact CD1-CE1 3.77Å; F225-F228 HydrophobicContact CD1-CZ 4.08Å; F225-F228 HydrophobicContact CG-CE1 4.44Å; F225-F228 WeakPolarHBondContact O-CD1 3.34Å; F225-F228 PolarHBondContact O-N 3.23Å; F225-L229 HydrophobicContact CB-CD1 3.99Å; F225-L229 VanDerWaalsContact O-CB 3.29Å; F225-L229 WeakPolarHBondContact O-CB 3.26Å; F225-L229 VanDerWaalsContact O-CG 3.25Å; F225-L229 WeakPolarHBondContact O-CG 3.41Å; F225-L229 PolarHBondContact O-N 3.27Å; F225-L229 VanDerWaalsContact O-N 3.12Å; F225-H386 AromaticContact CE2-CE1 3.96Å; F225-H386 AromaticContact CZ-CE1 3.44Å; F225-H386 VanDerWaalsContact CZ-CE1 3.44Å; F225-H386 WeakPolarHBondContact CZ-CE1 3.48Å; F225-H386 AromaticContact CZ-NE2 3.89Å; F225-V388 HydrophobicContact CB-CG1 4.18Å; F225-V388 HydrophobicContact CD1-CG2 3.65Å; F225-V388 HydrophobicContact CD2-CG2 3.99Å; F225-V388 HydrophobicContact CE1-CG2 3.69Å; F225-V388 HydrophobicContact CE2-CG2 4Å; F225-V388 HydrophobicContact CG-CG1 4.28Å; F225-V388 HydrophobicContact CG-CG2 3.82Å; F225-V388 HydrophobicContact CZ-CG2 3.87Å; F225-Y397 HydrophobicContact CB-CD2 4.2Å; F225-Y397 HydrophobicContact CB-CE2 3.75Å; F225-Y397 HydrophobicContact CD2-CE2 4.39Å; F225-A399 HydrophobicContact CD2-CB 4Å; F225-A399 HydrophobicContact CE2-CB 4.07Å; F225-W402 HydrophobicContact CE2-CZ2 4.04Å; F225-W402 AromaticContact CZ-CH2 3.75Å; F225-W402 HydrophobicContact CZ-CH2 3.75Å; F225-W402 AromaticContact CZ-CZ2 3.64Å; F225-W402 HydrophobicContact CZ-CZ2 3.64Å; F225-L442 HydrophobicContact CD1-CD2 3.67Å; F225-L442 HydrophobicContact CE1-CD2 3.38Å; F225-L442 HydrophobicContact CE1-CG 3.96Å; F225-L442 HydrophobicContact CG-CD2 4.38Å; F225-L442 HydrophobicContact CZ-CD2 3.9Å; F225-L442 HydrophobicContact CZ-CG 4.26Å; F225-Y445 HydrophobicContact CD1-CD2 4.26Å; F225-Y445 AromaticContact CE1-CD2 3.79Å; F225-Y445 HydrophobicContact CE1-CD2 3.79Å; F225-Y445 HydrophobicContact CE1-CE2 4.14Å
226	G	97.3	Very high	96.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-34	-173.4	0	0	0	0	0	114.3	N230 A231 H286 Y397	G226-N230 VanDerWaalsContact O-CA 3.32Å; G226-N230 WeakPolarHBondContact O-CA 3.32Å; G226-N230 PolarHBondContact O-N 3.49Å; G226-A231 CarbonylContact C-O 3.58Å; G226-A231 WeakPolarHBondContact CA-O 3.22Å; G226-A231 PolarHBondContact O-N 2.84Å; G226-H286 PolarHBondContact O-CE1 3.01Å; G226-Y397 PolarHBondContact N-OH 2.96Å
227	V	96.8	Very high	96.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-56.6	-178.3	172.5	0	0	0	0	111.9	I173 Y177 R220 V221 T224 F225 L229 N230	I173-V227 HydrophobicContact CG2-CG1 3.63Å; Y177-V227 HydrophobicContact CD1-CG1 4.41Å; Y177-V227 HydrophobicContact CD2-CG1 4.08Å; Y177-V227 HydrophobicContact CE1-CG1 4.12Å; Y177-V227 HydrophobicContact CE1-CG2 4.02Å; Y177-V227 HydrophobicContact CE2-CG1 3.77Å; Y177-V227 HydrophobicContact CG-CG1 4.38Å; R220-V227 HydrophobicContact CG-CG2 4.21Å; V221-V227 HydrophobicContact CB-CG1 4.07Å; V221-V227 HydrophobicContact CG1-CG1 3.92Å; V221-V227 HydrophobicContact CG2-CG1 3.79Å; T224-V227 WeakPolarHBondContact OG1-CG2 3.42Å; F225-V227 PolarHBondContact O-N 3.29Å; V227-L229 VanDerWaalsContact C-N 3.27Å; V227-L229 PolarHBondContact O-N 2.75Å; V227-N230 PolarHBondContact O-N 3.5Å; V227-N230 VanDerWaalsContact O-N 3.11Å
228	F	95.5	Very high	96.3	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	12%	0.123	C	C	.	.	H	α-helix	trans	-71.9	-26.2	-178.8	79.6	-98.4	0	0	0	112.3	F225 N230 K446 H449	F225-F228 HydrophobicContact CB-CE1 4.16Å; F225-F228 AromaticContact CD1-CE1 3.77Å; F225-F228 HydrophobicContact CD1-CE1 3.77Å; F225-F228 HydrophobicContact CD1-CZ 4.08Å; F225-F228 HydrophobicContact CG-CE1 4.44Å; F225-F228 WeakPolarHBondContact O-CD1 3.34Å; F225-F228 PolarHBondContact O-N 3.23Å; F228-N230 VanDerWaalsContact C-N 3.27Å; F228-K446 HydrophobicContact CB-CG 4.49Å; F228-K446 HydrophobicContact CD1-CG 3.9Å; F228-K446 HydrophobicContact CE1-CG 4.19Å; F228-K446 HydrophobicContact CG-CG 4.08Å; F228-H449 HydrophobicContact CD2-CB 3.99Å; F228-H449 AromaticContact CD2-CD2 3.79Å; F228-H449 AromaticContact CD2-CG 3.74Å; F228-H449 HydrophobicContact CE2-CB 3.97Å; F228-H449 PolarHBondContact O-CE1 2.8Å; F228-H449 VanDerWaalsContact O-CE1 3.28Å; F228-H449 PolarHBondContact O-NE2 3.01Å
229	L	97.7	Very high	96.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-76.5	-13.2	172.8	-69.5	176.6	0	0	0	112.9	F225 V227 A231 V388 K390 Y397 Y482	F225-L229 HydrophobicContact CB-CD1 3.99Å; F225-L229 VanDerWaalsContact O-CB 3.29Å; F225-L229 WeakPolarHBondContact O-CB 3.26Å; F225-L229 VanDerWaalsContact O-CG 3.25Å; F225-L229 WeakPolarHBondContact O-CG 3.41Å; F225-L229 PolarHBondContact O-N 3.27Å; F225-L229 VanDerWaalsContact O-N 3.12Å; V227-L229 VanDerWaalsContact C-N 3.27Å; V227-L229 PolarHBondContact O-N 2.75Å; L229-A231 VanDerWaalsContact C-N 3.29Å; L229-A231 HydrophobicContact CB-CB 4.14Å; L229-A231 PolarHBondContact O-N 2.97Å; L229-V388 HydrophobicContact CD1-CG1 3.57Å; L229-K390 HydrophobicContact CB-CD 4.13Å; L229-K390 HydrophobicContact CD1-CB 4.43Å; L229-K390 HydrophobicContact CD2-CB 4.44Å; L229-K390 HydrophobicContact CD2-CD 4.21Å; L229-K390 WeakPolarHBondContact O-CD 3.3Å; L229-K390 WeakPolarHBondContact O-CE 3.31Å; L229-K390 PolarHBondContact O-NZ 3.38Å; L229-Y397 HydrophobicContact CD1-CD2 4.29Å; L229-Y397 HydrophobicContact CD1-CG 4.06Å; L229-Y482 HydrophobicContact CD2-CD2 4.26Å; L229-Y482 HydrophobicContact CD2-CE2 3.67Å
230	N	97.5	Very high	96.2	Very high	85 Å²	85	32.6 Å²	32.6	46%	0.455	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	52.9	-167.8	-171	37.9	0	0	0	111.9	G226 V227 F228	G226-N230 VanDerWaalsContact O-CA 3.32Å; G226-N230 WeakPolarHBondContact O-CA 3.32Å; G226-N230 PolarHBondContact O-N 3.49Å; V227-N230 PolarHBondContact O-N 3.5Å; V227-N230 VanDerWaalsContact O-N 3.11Å; F228-N230 VanDerWaalsContact C-N 3.27Å
231	A	98.2	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.			trans	-146.4	153.7	-174.8	0	0	0	0	0	111	G226 L229 H286 K390 G395 Y397	G226-A231 CarbonylContact C-O 3.58Å; G226-A231 WeakPolarHBondContact CA-O 3.22Å; G226-A231 PolarHBondContact O-N 2.84Å; L229-A231 VanDerWaalsContact C-N 3.29Å; L229-A231 HydrophobicContact CB-CB 4.14Å; L229-A231 PolarHBondContact O-N 2.97Å; A231-H286 PolarHBondContact O-CE1 2.93Å; A231-H286 PolarHBondContact O-NE2 2.89Å; A231-K390 HydrophobicContact CB-CD 4.36Å; A231-K390 HydrophobicContact CB-CG 4.06Å; A231-G395 CarbonylContact C-O 3.58Å; A231-G395 WeakPolarHBondContact CA-O 3.42Å; A231-G395 WeakPolarHBondContact CB-O 3.24Å; A231-Y397 HydrophobicContact CB-CD1 3.89Å; A231-Y397 WeakPolarHBondContact O-CD1 3.28Å; A231-Y397 WeakPolarHBondContact O-CE1 3.46Å
232	I	97.9	Very high	96.3	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.077	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	153	177.8	59.5	165	0	0	0	112.2	I269 P282 I285 G395 Q396 Y397	I232-I269 HydrophobicContact CD1-CD1 3.49Å; I232-I269 VanDerWaalsContact CD1-CD1 3.49Å; I232-I269 HydrophobicContact CD1-CG1 4.16Å; I232-P282 HydrophobicContact CG2-CB 3.89Å; I232-P282 HydrophobicContact CG2-CG 4.47Å; I232-I285 HydrophobicContact CD1-CD1 4.28Å; I232-I285 HydrophobicContact CG2-CB 4.06Å; I232-I285 HydrophobicContact CG2-CD1 3.76Å; I232-I285 HydrophobicContact CG2-CG1 4.5Å; I232-I285 HydrophobicContact CG2-CG2 3.99Å; I232-G395 PolarHBondContact N-O 3.04Å; I232-Q396 HydrophobicContact CD1-CG 4.13Å; I232-Q396 HydrophobicContact CG1-CB 4.45Å; I232-Q396 HydrophobicContact CG1-CG 3.76Å; I232-Q396 CarbonylContact O-C 3.51Å; I232-Q396 WeakPolarHBondContact O-CA 3.36Å; I232-Y397 VanDerWaalsContact C-CD1 3.48Å; I232-Y397 WeakPolarHBondContact O-CD1 3.38Å; I232-Y397 PolarHBondContact O-N 3.1Å
233	S	97.5	Very high	96.5	Very high	10 Å²	10	34 Å²	34	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146.4	170.1	-178	0	0	0	0	110.7	D268 I269	S233-D268 WeakPolarHBondContact CB-OD1 3.41Å; S233-D268 PolarHBondContact OG-OD1 2.85Å; S233-I269 PolarHBondContact O-N 2.88Å
234	C	97.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-124.6	139.7	-179.9	-63.7	0	0	0	0	109.9	P236 I269 Q396 I514	C234-P236 VanDerWaalsContact O-CD 3.23Å; C234-P236 WeakPolarHBondContact O-CD 3.46Å; C234-I269 CarbonylContact C-O 3.58Å; C234-I269 VanDerWaalsContact CA-O 3.27Å; C234-I269 WeakPolarHBondContact CA-O 3.48Å; C234-Q396 VanDerWaalsContact SG-CD 3.59Å; C234-Q396 PolarHBondContact SG-OE1 3.46Å; C234-I514 HydrophobicContact CB-CG1 4.26Å
235	T	98.1	Very high	96.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	16%	0.157	C	C	.	.			trans	-61.8	121.4	177.6	-51.4	0	0	0	0	109.4	L237 R242 D268 I269 V270 S371	T235-L237 PolarHBondContact O-N 2.91Å; T235-R242 PolarHBondContact O-NH1 3.24Å; T235-R242 PolarHBondContact O-NH2 2.93Å; T235-D268 WeakPolarHBondContact OG1-CB 3.37Å; T235-I269 PolarHBondContact N-O 2.95Å; T235-V270 HydrophobicContact CG2-CG2 4.46Å; T235-V270 WeakPolarHBondContact OG1-CG2 3.36Å; T235-S371 VanDerWaalsContact CG2-OG 3.26Å; T235-S371 WeakPolarHBondContact CG2-OG 3.37Å
236	P	97.8	Very high	96.8	Very high	3 Å²	3	27 Å²	27	2%	0.019	16%	0.156	C	C	.	.			trans	-61.6	102.9	180	-28.7	38.1	0	0	0	113.3	C234 S371 F373 I398 R511 F512	C234-P236 VanDerWaalsContact O-CD 3.23Å; C234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-S371 WeakPolarHBondContact CD-OG 3.25Å; P236-S371 PolarHBondContact O-OG 2.88Å; P236-F373 HydrophobicContact CG-CD1 3.95Å; P236-F373 HydrophobicContact CG-CD2 4.47Å; P236-F373 HydrophobicContact CG-CE1 4Å; P236-F373 HydrophobicContact CG-CG 4.17Å; P236-F373 HydrophobicContact CG-CZ 4.28Å; P236-I398 HydrophobicContact CG-CD1 4.05Å; P236-R511 HydrophobicContact CB-CG 4.44Å; P236-F512 HydrophobicContact CB-CD1 4.12Å; P236-F512 HydrophobicContact CB-CE1 4.38Å; P236-F512 HydrophobicContact CG-CD1 4.37Å
237	L	97.4	Very high	96.7	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.031	18%	0.18	C	C	.	.			trans	-137.9	138.2	-170.4	-169.3	67.2	0	0	0	110.6	T235 N241 R242 I245 V270 A367 R511	T235-L237 PolarHBondContact O-N 2.91Å; L237-N241 HydrophobicContact CD1-CB 3.82Å; L237-N241 HydrophobicContact CD2-CB 3.89Å; L237-N241 HydrophobicContact CG-CB 3.74Å; L237-R242 HydrophobicContact CD2-CB 4.06Å; L237-I245 HydrophobicContact CD2-CD1 3.61Å; L237-V270 HydrophobicContact CD2-CG1 4.17Å; L237-A367 HydrophobicContact CD1-CB 3.74Å; L237-R511 PolarHBondContact N-O 2.75Å; L237-R511 VanDerWaalsContact O-CA 3.28Å; L237-R511 WeakPolarHBondContact O-CA 3.46Å
238	S	95.7	Very high	96.7	Very high	51 Å²	51	32.8 Å²	32.8	36%	0.357	18%	0.183	S	C	.	.			trans	-55.9	145.3	175.3	62.1	0	0	0	0	111.3	N240 N241 R242	S238-N240 VanDerWaalsContact C-N 3.28Å; S238-N240 PolarHBondContact O-N 2.64Å; S238-N241 PolarHBondContact O-N 3.31Å; S238-N241 VanDerWaalsContact O-N 3.14Å; S238-N241 WeakPolarHBondContact OG-CB 3.36Å; S238-N241 PolarHBondContact OG-N 2.86Å; S238-N241 PolarHBondContact OG-ND2 3.01Å; S238-R242 PolarHBondContact O-N 3.04Å
239	E	94.5	Very high	96.8	Very high	116 Å²	116	32.6 Å²	32.6	54%	0.542	18%	0.182	S	C	.	.	H	α-helix	trans	-50.6	-45.2	179.3	-172.9	170.5	-177.4	0	0	113.1	N241 R242 A243	E239-N241 PolarHBondContact O-N 3.39Å; E239-R242 PolarHBondContact O-N 2.84Å; E239-A243 VanDerWaalsContact O-CB 3.31Å; E239-A243 WeakPolarHBondContact O-CB 3.34Å; E239-A243 PolarHBondContact O-N 3.47Å
240	N	94.6	Very high	96.7	Very high	133 Å²	133	33.6 Å²	33.6	71%	0.711	19%	0.189	S	C	*	.	H	α-helix	trans	-59.5	-49.5	179.1	-66.4	-14.5	0	0	0	113	S238 A243 A244	S238-N240 VanDerWaalsContact C-N 3.28Å; S238-N240 PolarHBondContact O-N 2.64Å; N240-A243 PolarHBondContact O-N 3.22Å; N240-A244 WeakPolarHBondContact O-CB 3.27Å; N240-A244 PolarHBondContact O-N 3.49Å
241	N	96	Very high	96.5	Very high	34 Å²	34	34.9 Å²	34.9	18%	0.182	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-43.9	177.7	-78.5	-38.2	0	0	0	111.3	L237 S238 E239 A244 I245 H364 A367	L237-N241 HydrophobicContact CD1-CB 3.82Å; L237-N241 HydrophobicContact CD2-CB 3.89Å; L237-N241 HydrophobicContact CG-CB 3.74Å; S238-N241 PolarHBondContact O-N 3.31Å; S238-N241 VanDerWaalsContact O-N 3.14Å; S238-N241 WeakPolarHBondContact OG-CB 3.36Å; S238-N241 PolarHBondContact OG-N 2.86Å; S238-N241 PolarHBondContact OG-ND2 3.01Å; E239-N241 PolarHBondContact O-N 3.39Å; N241-A244 PolarHBondContact O-N 3.33Å; N241-I245 VanDerWaalsContact O-CD1 3.32Å; N241-I245 WeakPolarHBondContact O-CD1 3.44Å; N241-I245 VanDerWaalsContact O-CG1 3.22Å; N241-I245 WeakPolarHBondContact O-CG1 3.4Å; N241-I245 PolarHBondContact O-N 2.98Å; N241-H364 PolarHBondContact OD1-CE1 2.88Å; N241-H364 PolarHBondContact OD1-ND1 2.86Å; N241-A367 WeakPolarHBondContact ND2-CB 3.4Å
242	R	96.5	Very high	96.3	Very high	14 Å²	14	36 Å²	36	5%	0.053	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-47.1	179.5	-165.7	-175.7	-60.7	-78.8	3.7	111.3	T235 L237 S238 E239 A244 I245 S246 V270 R511	T235-R242 PolarHBondContact O-NH1 3.24Å; T235-R242 PolarHBondContact O-NH2 2.93Å; L237-R242 HydrophobicContact CD2-CB 4.06Å; S238-R242 PolarHBondContact O-N 3.04Å; E239-R242 PolarHBondContact O-N 2.84Å; R242-A244 PolarHBondContact O-N 3.35Å; R242-I245 PolarHBondContact O-N 3.28Å; R242-S246 WeakPolarHBondContact O-CB 3.49Å; R242-S246 PolarHBondContact O-N 3.03Å; R242-S246 PolarHBondContact O-OG 3.09Å; R242-V270 PolarHBondContact NH1-O 3.2Å; R242-R511 PolarHBondContact NH2-O 2.83Å
243	A	95.6	Very high	96	Very high	56 Å²	56	35.3 Å²	35.3	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-59.8	-44.8	177.8	0	0	0	0	0	112	E239 N240 S246 Q247	E239-A243 VanDerWaalsContact O-CB 3.31Å; E239-A243 WeakPolarHBondContact O-CB 3.34Å; E239-A243 PolarHBondContact O-N 3.47Å; N240-A243 PolarHBondContact O-N 3.22Å; A243-S246 PolarHBondContact O-N 2.86Å; A243-Q247 VanDerWaalsContact O-CB 3.31Å; A243-Q247 WeakPolarHBondContact O-CB 3.37Å; A243-Q247 PolarHBondContact O-N 3.43Å
244	A	95.9	Very high	95.6	Very high	25 Å²	25	40.5 Å²	40.5	21%	0.207	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-44.9	176.9	0	0	0	0	0	112.3	N240 N241 R242 Q247 I248	N240-A244 WeakPolarHBondContact O-CB 3.27Å; N240-A244 PolarHBondContact O-N 3.49Å; N241-A244 PolarHBondContact O-N 3.33Å; R242-A244 PolarHBondContact O-N 3.35Å; A244-Q247 PolarHBondContact O-N 3.36Å; A244-I248 WeakPolarHBondContact O-CG1 3.36Å; A244-I248 PolarHBondContact O-N 3.32Å
245	I	97.1	Very high	95.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-48	176.2	-67.6	159.5	0	0	0	110.7	L237 N241 R242 Q247 I248 I249 L263 V270 L356 H364 I368	L237-I245 HydrophobicContact CD2-CD1 3.61Å; N241-I245 VanDerWaalsContact O-CD1 3.32Å; N241-I245 WeakPolarHBondContact O-CD1 3.44Å; N241-I245 VanDerWaalsContact O-CG1 3.22Å; N241-I245 WeakPolarHBondContact O-CG1 3.4Å; N241-I245 PolarHBondContact O-N 2.98Å; R242-I245 PolarHBondContact O-N 3.28Å; I245-Q247 PolarHBondContact O-N 2.89Å; I245-I248 PolarHBondContact O-N 3.47Å; I245-I249 HydrophobicContact CG2-CD1 3.95Å; I245-I249 WeakPolarHBondContact O-CG1 3.3Å; I245-I249 PolarHBondContact O-N 2.89Å; I245-L263 HydrophobicContact CG2-CD2 3.68Å; I245-V270 HydrophobicContact CD1-CG1 3.9Å; I245-V270 HydrophobicContact CG2-CG1 4.31Å; I245-L356 HydrophobicContact CB-CD2 4.43Å; I245-L356 HydrophobicContact CG1-CD2 3.86Å; I245-L356 HydrophobicContact CG2-CD2 4.26Å; I245-H364 HydrophobicContact CD1-CB 4.23Å; I245-H364 HydrophobicContact CG1-CB 3.97Å; I245-I368 HydrophobicContact CD1-CD1 3.87Å; I245-I368 HydrophobicContact CD1-CG1 4.1Å
246	S	96.9	Very high	95	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-38.4	177.6	-61.2	0	0	0	0	111.6	R242 A243 I249 C250 S271	R242-S246 WeakPolarHBondContact O-CB 3.49Å; R242-S246 PolarHBondContact O-N 3.03Å; R242-S246 PolarHBondContact O-OG 3.09Å; A243-S246 PolarHBondContact O-N 2.86Å; S246-I249 PolarHBondContact O-N 3.1Å; S246-C250 WeakPolarHBondContact O-CB 3.23Å; S246-C250 PolarHBondContact O-N 2.98Å; S246-S271 WeakPolarHBondContact CA-OG 3.49Å; S246-S271 WeakPolarHBondContact CB-OG 3.29Å; S246-S271 PolarHBondContact OG-OG 3.33Å
247	Q	95.9	Very high	94.8	Very high	110 Å²	110	47.8 Å²	47.8	51%	0.514	25%	0.25	S	C	.	.	H	α-helix	trans	-67	-43.8	175.5	-176.4	177.4	-7.7	0	0	112.2	A243 A244 I245 I249 C250 Q251	A243-Q247 VanDerWaalsContact O-CB 3.31Å; A243-Q247 WeakPolarHBondContact O-CB 3.37Å; A243-Q247 PolarHBondContact O-N 3.43Å; A244-Q247 PolarHBondContact O-N 3.36Å; I245-Q247 PolarHBondContact O-N 2.89Å; Q247-I249 VanDerWaalsContact C-N 3.32Å; Q247-I249 PolarHBondContact O-N 2.81Å; Q247-C250 PolarHBondContact O-N 2.79Å; Q247-Q251 HydrophobicContact CG-CG 4.18Å; Q247-Q251 WeakPolarHBondContact O-CB 3.32Å; Q247-Q251 VanDerWaalsContact O-CG 3.28Å; Q247-Q251 WeakPolarHBondContact O-CG 3.5Å; Q247-Q251 PolarHBondContact O-N 2.86Å
248	I	96.7	Very high	94.8	Very high	15 Å²	15	47.7 Å²	47.7	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-57.5	-47	175	-70.6	166.2	0	0	0	110.2	A244 I245 N252 V352 L355 L356 T359	A244-I248 WeakPolarHBondContact O-CG1 3.36Å; A244-I248 PolarHBondContact O-N 3.32Å; I245-I248 PolarHBondContact O-N 3.47Å; I248-N252 WeakPolarHBondContact O-CB 3.22Å; I248-N252 PolarHBondContact O-N 3.24Å; I248-N252 PolarHBondContact O-ND2 3.43Å; I248-V352 HydrophobicContact CG2-CG1 4.18Å; I248-L355 HydrophobicContact CG2-CB 3.74Å; I248-L355 HydrophobicContact CG2-CD1 4.08Å; I248-L356 HydrophobicContact CD1-CD2 4.01Å; I248-T359 HydrophobicContact CD1-CG2 4.47Å
249	I	97	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-52	178.2	-62.4	165.2	0	0	0	109.9	I245 S246 Q247 Q251 N252 A253 L263 V273 M332 V352	I245-I249 HydrophobicContact CG2-CD1 3.95Å; I245-I249 WeakPolarHBondContact O-CG1 3.3Å; I245-I249 PolarHBondContact O-N 2.89Å; S246-I249 PolarHBondContact O-N 3.1Å; Q247-I249 VanDerWaalsContact C-N 3.32Å; Q247-I249 PolarHBondContact O-N 2.81Å; I249-Q251 VanDerWaalsContact C-N 3.34Å; I249-Q251 PolarHBondContact O-N 3.28Å; I249-N252 PolarHBondContact O-N 2.81Å; I249-A253 HydrophobicContact CG2-CB 4.24Å; I249-A253 WeakPolarHBondContact O-CB 3.29Å; I249-A253 PolarHBondContact O-N 2.92Å; I249-L263 HydrophobicContact CD1-CB 3.93Å; I249-V273 HydrophobicContact CB-CG2 3.8Å; I249-V273 HydrophobicContact CG2-CB 4.09Å; I249-V273 HydrophobicContact CG2-CG2 3.48Å; I249-V273 VanDerWaalsContact CG2-CG2 3.48Å; I249-M332 HydrophobicContact CG2-CE 3.96Å; I249-V352 HydrophobicContact CG1-CG1 4.01Å
250	C	95.4	Very high	95	Very high	22 Å²	22	39.8 Å²	39.8	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-38.3	-176.1	-175.6	0	0	0	0	113.5	S246 Q247 N252 V273 P518 T519	S246-C250 WeakPolarHBondContact O-CB 3.23Å; S246-C250 PolarHBondContact O-N 2.98Å; Q247-C250 PolarHBondContact O-N 2.79Å; C250-N252 VanDerWaalsContact C-N 3.34Å; C250-V273 HydrophobicContact CB-CG1 4.09Å; C250-V273 HydrophobicContact CB-CG2 4.41Å; C250-P518 HydrophobicContact CB-CG 4.46Å; C250-T519 PolarHBondContact SG-O 3.46Å
251	Q	94.2	Very high	95.1	Very high	112 Å²	112	33.4 Å²	33.4	52%	0.523	17%	0.172	S	C	.	.	H	α-helix	trans	-73.3	-26.2	-179.6	-72.1	-178.4	-11.5	0	0	113.2	Q247 I249	Q247-Q251 HydrophobicContact CG-CG 4.18Å; Q247-Q251 WeakPolarHBondContact O-CB 3.32Å; Q247-Q251 VanDerWaalsContact O-CG 3.28Å; Q247-Q251 WeakPolarHBondContact O-CG 3.5Å; Q247-Q251 PolarHBondContact O-N 2.86Å; I249-Q251 VanDerWaalsContact C-N 3.34Å; I249-Q251 PolarHBondContact O-N 3.28Å
252	N	94.1	Very high	95.2	Very high	24 Å²	24	31.8 Å²	31.8	13%	0.128	16%	0.164	C	C	.	.	H	α-helix	trans	-106.2	-28.9	-173.4	-68.8	-76.6	0	0	0	113.7	I248 I249 C250 K254 K351 V352 L355	I248-N252 WeakPolarHBondContact O-CB 3.22Å; I248-N252 PolarHBondContact O-N 3.24Å; I248-N252 PolarHBondContact O-ND2 3.43Å; I249-N252 PolarHBondContact O-N 2.81Å; C250-N252 VanDerWaalsContact C-N 3.34Å; N252-K254 PolarHBondContact O-N 2.74Å; N252-K351 HydrophobicContact CB-CD 4.46Å; N252-K351 VanDerWaalsContact OD1-CD 3.29Å; N252-K351 WeakPolarHBondContact OD1-CD 3.43Å; N252-K351 WeakPolarHBondContact OD1-CE 3.5Å; N252-K351 PolarHBondContact OD1-NZ 2.78Å; N252-V352 HydrophobicContact CB-CG2 3.91Å; N252-L355 WeakPolarHBondContact ND2-CD1 3.1Å
253	A	92	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.			trans	-85	53.6	178.8	0	0	0	0	0	111.7	I249 L258 I348 F520	I249-A253 HydrophobicContact CG2-CB 4.24Å; I249-A253 WeakPolarHBondContact O-CB 3.29Å; I249-A253 PolarHBondContact O-N 2.92Å; A253-L258 HydrophobicContact CB-CD2 3.82Å; A253-L258 VanDerWaalsContact O-CD2 3.29Å; A253-L258 WeakPolarHBondContact O-CD2 3.5Å; A253-I348 HydrophobicContact CB-CG2 3.8Å; A253-F520 HydrophobicContact CB-CD1 4.21Å; A253-F520 HydrophobicContact CB-CE1 3.71Å; A253-F520 WeakPolarHBondContact O-CD1 3.18Å; A253-F520 WeakPolarHBondContact O-CE1 3.44Å
254	K	87.9	Confident	95.4	Very high	120 Å²	120	28.5 Å²	28.5	52%	0.522	14%	0.139	S	C	.	.			trans	-100.5	90.2	176.5	-68.1	-173.3	175.9	-175.5	0	109.6	N252	N252-K254 PolarHBondContact O-N 2.74Å
255	L	92.9	Very high	95.5	Very high	47 Å²	47	27.8 Å²	27.8	25%	0.246	13%	0.132	C	C	.	.			trans	-134.8	136.5	175.9	-168	69.2	0	0	0	110.1	G257 L258 K341 P344 L345 I348	L255-G257 PolarHBondContact O-N 3.12Å; L255-L258 HydrophobicContact CB-CB 4.25Å; L255-L258 VanDerWaalsContact O-CB 3.25Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 2.82Å; L255-L258 VanDerWaalsContact O-N 3.16Å; L255-K341 HydrophobicContact CD2-CB 3.81Å; L255-K341 HydrophobicContact CD2-CD 4.22Å; L255-K341 HydrophobicContact CD2-CG 4.01Å; L255-P344 HydrophobicContact CD1-CB 4.1Å; L255-P344 HydrophobicContact CD2-CB 3.96Å; L255-L345 HydrophobicContact CD2-CD2 3.55Å; L255-L345 HydrophobicContact CD2-CG 3.78Å; L255-I348 HydrophobicContact CB-CD1 3.92Å; L255-I348 HydrophobicContact CD2-CD1 4.37Å
256	R	91	Very high	95.3	Very high	101 Å²	101	33.6 Å²	33.6	38%	0.381	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	135.2	174.7	-178.3	178	179.6	156.7	-6.4	110.1	S44 E45 M47 L258	S44-R256 VanDerWaalsContact C-NH2 3.29Å; S44-R256 PolarHBondContact O-NE 2.89Å; S44-R256 PolarHBondContact O-NH2 3.11Å; E45-R256 PolarHBondContact O-NH2 3.11Å; M47-R256 PolarHBondContact O-NH1 2.94Å; M47-R256 PolarHBondContact O-NH2 3.41Å; R256-L258 PolarHBondContact O-N 2.95Å
257	G	93.5	Very high	95.2	Very high	9 Å²	9	36.8 Å²	36.8	9%	0.093	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-6.4	-178.1	0	0	0	0	0	114.9	L255 V259 T336 V337	L255-G257 PolarHBondContact O-N 3.12Å; G257-V259 WeakPolarHBondContact O-CG2 3.37Å; G257-V259 PolarHBondContact O-N 3.41Å; G257-T336 WeakPolarHBondContact O-CA 3.14Å; G257-T336 PolarHBondContact O-OG1 3.4Å; G257-T336 VanDerWaalsContact O-OG1 3.08Å; G257-V337 PolarHBondContact O-N 2.83Å; G257-V337 VanDerWaalsContact O-N 3.16Å
258	L	96.5	Very high	95.3	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.8	172.8	-177.6	67.6	0	0	0	110.2	A253 L255 R256 L334 L335 L345 F520	A253-L258 HydrophobicContact CB-CD2 3.82Å; A253-L258 VanDerWaalsContact O-CD2 3.29Å; A253-L258 WeakPolarHBondContact O-CD2 3.5Å; L255-L258 HydrophobicContact CB-CB 4.25Å; L255-L258 VanDerWaalsContact O-CB 3.25Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 2.82Å; L255-L258 VanDerWaalsContact O-N 3.16Å; R256-L258 PolarHBondContact O-N 2.95Å; L258-L334 HydrophobicContact CD1-CB 3.91Å; L258-L334 HydrophobicContact CD1-CD2 4.2Å; L258-L334 HydrophobicContact CD2-CD2 4.4Å; L258-L335 WeakPolarHBondContact CD1-O 3.38Å; L258-L345 HydrophobicContact CD1-CD2 3.81Å; L258-F520 HydrophobicContact CB-CE2 4.49Å; L258-F520 HydrophobicContact CD2-CD1 4.25Å; L258-F520 HydrophobicContact CD2-CE1 3.6Å; L258-F520 HydrophobicContact CD2-CE2 3.91Å; L258-F520 HydrophobicContact CD2-CZ 3.4Å; L258-F520 VanDerWaalsContact CD2-CZ 3.4Å; L258-F520 HydrophobicContact CG-CE1 4.39Å; L258-F520 HydrophobicContact CG-CE2 3.8Å; L258-F520 HydrophobicContact CG-CZ 3.7Å
259	V	97.1	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-44.8	-174.6	-167.2	0	0	0	0	111.4	I40 G257 R274 M275 Q278 F313 L319 L335 V337	I40-V259 HydrophobicContact CD1-CG1 4.33Å; I40-V259 HydrophobicContact CD1-CG2 4.35Å; I40-V259 HydrophobicContact CG2-CG2 4.47Å; G257-V259 WeakPolarHBondContact O-CG2 3.37Å; G257-V259 PolarHBondContact O-N 3.41Å; V259-R274 CarbonylContact O-C 3.48Å; V259-R274 WeakPolarHBondContact O-CA 3.48Å; V259-M275 PolarHBondContact O-N 3.44Å; V259-Q278 HydrophobicContact CG1-CB 4.27Å; V259-Q278 HydrophobicContact CG1-CG 4.16Å; V259-F313 HydrophobicContact CG1-CE2 4.13Å; V259-F313 HydrophobicContact CG1-CZ 3.75Å; V259-L319 HydrophobicContact CG2-CD2 3.99Å; V259-L335 WeakPolarHBondContact CA-O 3.18Å; V259-L335 WeakPolarHBondContact CB-O 3.39Å; V259-L335 PolarHBondContact N-O 3.4Å; V259-V337 HydrophobicContact CG2-CG1 3.82Å
260	F	97.9	Very high	95.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.3	-179.5	-55.7	-74.8	0	0	0	111.4	I262 V273 R274 Q278 L280 F313 L334 L335	F260-I262 HydrophobicContact CB-CD1 4.36Å; F260-I262 HydrophobicContact CB-CG1 4.23Å; F260-V273 WeakPolarHBondContact CA-O 3.32Å; F260-R274 HydrophobicContact CD1-CB 3.66Å; F260-R274 HydrophobicContact CE1-CB 3.9Å; F260-Q278 HydrophobicContact CE1-CB 4.1Å; F260-Q278 HydrophobicContact CZ-CB 3.97Å; F260-L280 HydrophobicContact CD1-CB 4.24Å; F260-L280 HydrophobicContact CE1-CB 3.78Å; F260-L280 HydrophobicContact CE2-CB 4.27Å; F260-L280 HydrophobicContact CE2-CD1 4.25Å; F260-L280 HydrophobicContact CZ-CB 3.79Å; F260-F313 AromaticContact CE2-CD2 3.93Å; F260-F313 HydrophobicContact CE2-CD2 3.93Å; F260-F313 AromaticContact CE2-CE2 3.75Å; F260-F313 HydrophobicContact CE2-CE2 3.75Å; F260-F313 HydrophobicContact CE2-CZ 4.22Å; F260-F313 AromaticContact CZ-CD2 3.95Å; F260-F313 HydrophobicContact CZ-CD2 3.95Å; F260-F313 AromaticContact CZ-CE2 3.75Å; F260-F313 HydrophobicContact CZ-CE2 3.75Å; F260-L334 WeakPolarHBondContact O-CA 3.35Å; F260-L335 HydrophobicContact CB-CB 4.17Å; F260-L335 HydrophobicContact CB-CD1 4.09Å; F260-L335 HydrophobicContact CD2-CB 4.21Å; F260-L335 HydrophobicContact CD2-CD1 3.81Å; F260-L335 HydrophobicContact CG-CD1 4.35Å; F260-L335 PolarHBondContact N-O 3.17Å; F260-L335 PolarHBondContact O-N 3.23Å
261	G	97.5	Very high	95.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.3	168.5	0	0	0	0	0	109.3	V273 L334	G261-V273 PolarHBondContact N-O 3.44Å; G261-V273 PolarHBondContact O-N 2.97Å; G261-L334 VanDerWaalsContact CA-CD2 3.47Å
262	I	98.2	Very high	95.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124	-169.9	-42.5	177.1	0	0	0	108.6	F260 F264 I269 S271 I272 L280 M332 V333	F260-I262 HydrophobicContact CB-CD1 4.36Å; F260-I262 HydrophobicContact CB-CG1 4.23Å; I262-F264 HydrophobicContact CB-CD2 4.28Å; I262-F264 HydrophobicContact CB-CE2 3.64Å; I262-F264 HydrophobicContact CB-CZ 4.12Å; I262-F264 HydrophobicContact CD1-CE2 4.4Å; I262-F264 HydrophobicContact CD1-CZ 4.32Å; I262-F264 HydrophobicContact CG2-CD1 4.5Å; I262-F264 HydrophobicContact CG2-CD2 3.92Å; I262-F264 HydrophobicContact CG2-CE1 4.02Å; I262-F264 HydrophobicContact CG2-CE2 3.35Å; I262-F264 HydrophobicContact CG2-CG 4.47Å; I262-F264 HydrophobicContact CG2-CZ 3.42Å; I262-F264 VanDerWaalsContact CG2-CZ 3.42Å; I262-I269 HydrophobicContact CG2-CD1 4.08Å; I262-I269 HydrophobicContact CG2-CG1 4.45Å; I262-I269 HydrophobicContact CG2-CG2 4.03Å; I262-S271 WeakPolarHBondContact CA-O 3.04Å; I262-I272 HydrophobicContact CD1-CD1 4.15Å; I262-I272 HydrophobicContact CG1-CD1 4.11Å; I262-I272 HydrophobicContact CG1-CG1 4.1Å; I262-I272 HydrophobicContact CG2-CB 4.47Å; I262-L280 HydrophobicContact CD1-CD2 3.56Å; I262-M332 CarbonylContact O-C 3.53Å; I262-M332 WeakPolarHBondContact O-CA 3.4Å; I262-V333 PolarHBondContact N-O 3.38Å; I262-V333 PolarHBondContact O-N 3.26Å
263	L	98.1	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.7	171.6	-176.7	69.5	0	0	0	108.6	I245 I249 V270 S271 T330 M332 F353 L356 I368	I245-L263 HydrophobicContact CG2-CD2 3.68Å; I249-L263 HydrophobicContact CD1-CB 3.93Å; L263-V270 HydrophobicContact CB-CB 4.31Å; L263-V270 HydrophobicContact CD2-CB 4.01Å; L263-V270 HydrophobicContact CD2-CG1 3.9Å; L263-V270 HydrophobicContact CG-CB 4.08Å; L263-V270 HydrophobicContact CG-CG2 4.41Å; L263-V270 WeakPolarHBondContact O-CB 3.49Å; L263-V270 PolarHBondContact O-N 3.5Å; L263-S271 PolarHBondContact N-O 3.22Å; L263-S271 PolarHBondContact O-N 3.46Å; L263-T330 HydrophobicContact CD1-CG2 4.17Å; L263-M332 HydrophobicContact CD1-CB 4.07Å; L263-F353 HydrophobicContact CD1-CE1 4.05Å; L263-L356 HydrophobicContact CD2-CD1 4.04Å; L263-I368 HydrophobicContact CD2-CD1 4.13Å
264	F	98	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.7	177.7	-67.5	-84.7	0	0	0	110.9	I262 D268 I269 I285 L289 T330 F331 V333	I262-F264 HydrophobicContact CB-CD2 4.28Å; I262-F264 HydrophobicContact CB-CE2 3.64Å; I262-F264 HydrophobicContact CB-CZ 4.12Å; I262-F264 HydrophobicContact CD1-CE2 4.4Å; I262-F264 HydrophobicContact CD1-CZ 4.32Å; I262-F264 HydrophobicContact CG2-CD1 4.5Å; I262-F264 HydrophobicContact CG2-CD2 3.92Å; I262-F264 HydrophobicContact CG2-CE1 4.02Å; I262-F264 HydrophobicContact CG2-CE2 3.35Å; I262-F264 HydrophobicContact CG2-CG 4.47Å; I262-F264 HydrophobicContact CG2-CZ 3.42Å; I262-F264 VanDerWaalsContact CG2-CZ 3.42Å; F264-D268 WeakPolarHBondContact CA-O 3.4Å; F264-I269 HydrophobicContact CD1-CG1 4.01Å; F264-I269 HydrophobicContact CE1-CD1 4.05Å; F264-I269 HydrophobicContact CE1-CG1 3.63Å; F264-I269 HydrophobicContact CZ-CD1 4.48Å; F264-I269 HydrophobicContact CZ-CG1 4.47Å; F264-I285 HydrophobicContact CE1-CG2 4.14Å; F264-I285 HydrophobicContact CZ-CG2 4.27Å; F264-L289 HydrophobicContact CD1-CD1 4.49Å; F264-L289 HydrophobicContact CD1-CD2 3.72Å; F264-L289 HydrophobicContact CD1-CG 4.46Å; F264-L289 HydrophobicContact CE1-CD1 4.04Å; F264-L289 HydrophobicContact CE1-CD2 3.69Å; F264-L289 HydrophobicContact CE1-CG 3.97Å; F264-L289 HydrophobicContact CG-CD2 4.21Å; F264-L289 HydrophobicContact CZ-CD2 4.16Å; F264-L289 HydrophobicContact CZ-CG 4.38Å; F264-T330 WeakPolarHBondContact O-CA 3.03Å; F264-F331 HydrophobicContact CB-CD1 4.21Å; F264-F331 HydrophobicContact CB-CD2 4.14Å; F264-F331 HydrophobicContact CB-CE1 3.75Å; F264-F331 HydrophobicContact CB-CE2 3.67Å; F264-F331 HydrophobicContact CB-CG 4.39Å; F264-F331 HydrophobicContact CB-CZ 3.45Å; F264-F331 VanDerWaalsContact CB-CZ 3.45Å; F264-F331 HydrophobicContact CD2-CD2 4.16Å; F264-F331 AromaticContact CD2-CE2 3.57Å; F264-F331 HydrophobicContact CD2-CE2 3.57Å; F264-F331 HydrophobicContact CD2-CZ 4.1Å; F264-F331 HydrophobicContact CE2-CE2 4.4Å; F264-F331 AromaticContact CG-CE2 3.81Å; F264-F331 HydrophobicContact CG-CE2 3.81Å; F264-F331 AromaticContact CG-CZ 3.85Å; F264-F331 HydrophobicContact CG-CZ 3.85Å; F264-F331 PolarHBondContact N-O 3.2Å; F264-F331 PolarHBondContact O-N 3.28Å; F264-F331 VanDerWaalsContact O-N 3.1Å; F264-V333 HydrophobicContact CD2-CG2 3.94Å; F264-V333 HydrophobicContact CE2-CB 4.22Å; F264-V333 HydrophobicContact CE2-CG2 3.79Å
265	H	96.8	Very high	96.3	Very high	11 Å²	11	25 Å²	25	5%	0.051	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.1	162	-177.8	74.8	0	0	0	107.5	D267 D268 V270 T329 T330 I368	H265-D267 PolarHBondContact O-N 3.43Å; H265-D268 PolarHBondContact N-O 3.16Å; H265-D268 WeakPolarHBondContact O-CB 3.42Å; H265-D268 PolarHBondContact O-N 3.15Å; H265-V270 HydrophobicContact CB-CG2 3.64Å; H265-T329 CarbonylContact C-O 3.53Å; H265-T329 WeakPolarHBondContact CA-O 3.37Å; H265-T329 PolarHBondContact CE1-OG1 2.89Å; H265-T329 PolarHBondContact ND1-OG1 2.98Å; H265-T330 PolarHBondContact ND1-OG1 3.07Å; H265-I368 HydrophobicContact CB-CG2 3.66Å
266	K	93.7	Very high	96.3	Very high	122 Å²	122	29.8 Å²	29.8	53%	0.53	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-123.4	-166.7	-53.4	173.4	-175.5	174	0	109.2	T329 F331	K266-T329 HydrophobicContact CG-CG2 4.34Å; K266-T329 PolarHBondContact N-O 3.08Å; K266-F331 VanDerWaalsContact O-CE1 3.32Å; K266-F331 WeakPolarHBondContact O-CE1 3.42Å
267	D	94.7	Very high	96.3	Very high	76 Å²	76	31.7 Å²	31.7	41%	0.406	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.6	177.9	-76.6	13.2	0	0	0	112.3	R220 H265 L289	R220-D267 IonicContact CZ-OD2 3.86Å; R220-D267 IonicContact NE-OD2 2.92Å; R220-D267 IonicContact NH2-OD2 3.85Å; R220-D267 PolarHBondContact NH2-OD2 2.99Å; H265-D267 PolarHBondContact O-N 3.43Å; D267-L289 HydrophobicContact CB-CD1 4.42Å; D267-L289 WeakPolarHBondContact O-CD1 3.36Å
268	D	97.4	Very high	96.4	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.2	-173.6	-54.4	-62.5	0	0	0	112.8	S233 T235 F264 H265 V270 F373	S233-D268 WeakPolarHBondContact CB-OD1 3.41Å; S233-D268 PolarHBondContact OG-OD1 2.85Å; T235-D268 WeakPolarHBondContact OG1-CB 3.37Å; F264-D268 WeakPolarHBondContact CA-O 3.4Å; H265-D268 PolarHBondContact N-O 3.16Å; H265-D268 WeakPolarHBondContact O-CB 3.42Å; H265-D268 PolarHBondContact O-N 3.15Å; D268-V270 PolarHBondContact O-N 3.41Å; D268-F373 HydrophobicContact CB-CZ 4.4Å; D268-F373 VanDerWaalsContact CG-CZ 3.47Å; D268-F373 WeakPolarHBondContact OD1-CZ 3.23Å; D268-F373 VanDerWaalsContact OD2-CE2 3.24Å; D268-F373 WeakPolarHBondContact OD2-CE2 3.42Å; D268-F373 VanDerWaalsContact OD2-CZ 3.27Å; D268-F373 WeakPolarHBondContact OD2-CZ 3.39Å
269	I	98.3	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.1	176.9	-53.6	-161.5	0	0	0	110.7	I232 S233 C234 T235 I262 F264 I272 I285 I514	I232-I269 HydrophobicContact CD1-CD1 3.49Å; I232-I269 VanDerWaalsContact CD1-CD1 3.49Å; I232-I269 HydrophobicContact CD1-CG1 4.16Å; S233-I269 PolarHBondContact O-N 2.88Å; C234-I269 CarbonylContact C-O 3.58Å; C234-I269 VanDerWaalsContact CA-O 3.27Å; C234-I269 WeakPolarHBondContact CA-O 3.48Å; T235-I269 PolarHBondContact N-O 2.95Å; I262-I269 HydrophobicContact CG2-CD1 4.08Å; I262-I269 HydrophobicContact CG2-CG1 4.45Å; I262-I269 HydrophobicContact CG2-CG2 4.03Å; F264-I269 HydrophobicContact CD1-CG1 4.01Å; F264-I269 HydrophobicContact CE1-CD1 4.05Å; F264-I269 HydrophobicContact CE1-CG1 3.63Å; F264-I269 HydrophobicContact CZ-CD1 4.48Å; F264-I269 HydrophobicContact CZ-CG1 4.47Å; I269-I272 HydrophobicContact CG2-CB 4.35Å; I269-I285 HydrophobicContact CD1-CD1 4.01Å; I269-I285 HydrophobicContact CD1-CG2 4.23Å; I269-I514 HydrophobicContact CB-CD1 4.09Å; I269-I514 HydrophobicContact CG2-CD1 3.53Å
270	V	98.2	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-50.8	168.5	-179.3	0	0	0	0	109.9	T235 L237 R242 I245 L263 H265 D268 I368	T235-V270 HydrophobicContact CG2-CG2 4.46Å; T235-V270 WeakPolarHBondContact OG1-CG2 3.36Å; L237-V270 HydrophobicContact CD2-CG1 4.17Å; R242-V270 PolarHBondContact NH1-O 3.2Å; I245-V270 HydrophobicContact CD1-CG1 3.9Å; I245-V270 HydrophobicContact CG2-CG1 4.31Å; L263-V270 HydrophobicContact CB-CB 4.31Å; L263-V270 HydrophobicContact CD2-CB 4.01Å; L263-V270 HydrophobicContact CD2-CG1 3.9Å; L263-V270 HydrophobicContact CG-CB 4.08Å; L263-V270 HydrophobicContact CG-CG2 4.41Å; L263-V270 WeakPolarHBondContact O-CB 3.49Å; L263-V270 PolarHBondContact O-N 3.5Å; H265-V270 HydrophobicContact CB-CG2 3.64Å; D268-V270 PolarHBondContact O-N 3.41Å; V270-I368 HydrophobicContact CG1-CD1 3.83Å; V270-I368 HydrophobicContact CG1-CG1 3.9Å; V270-I368 HydrophobicContact CG2-CD1 4.41Å; V270-I368 HydrophobicContact CG2-CG1 4.36Å; V270-I368 HydrophobicContact CG2-CG2 4.05Å
271	S	97.5	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	146.3	-179	175.4	0	0	0	0	110.9	S246 I262 L263	S246-S271 WeakPolarHBondContact CA-OG 3.49Å; S246-S271 WeakPolarHBondContact CB-OG 3.29Å; S246-S271 PolarHBondContact OG-OG 3.33Å; I262-S271 WeakPolarHBondContact CA-O 3.04Å; L263-S271 PolarHBondContact N-O 3.22Å; L263-S271 PolarHBondContact O-N 3.46Å
272	I	96.8	Very high	96.1	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.092	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.7	173.5	-179.1	163.2	0	0	0	109.8	I262 I269 I514 S517	I262-I272 HydrophobicContact CD1-CD1 4.15Å; I262-I272 HydrophobicContact CG1-CD1 4.11Å; I262-I272 HydrophobicContact CG1-CG1 4.1Å; I262-I272 HydrophobicContact CG2-CB 4.47Å; I269-I272 HydrophobicContact CG2-CB 4.35Å; I272-I514 HydrophobicContact CG2-CD1 4.28Å; I272-I514 HydrophobicContact CG2-CG2 4.46Å; I272-S517 WeakPolarHBondContact CG2-OG 3.17Å; I272-S517 WeakPolarHBondContact O-CB 3.22Å
273	V	97.3	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141	171.4	-170.3	0	0	0	0	107.5	I249 C250 F260 G261 P518 F520	I249-V273 HydrophobicContact CB-CG2 3.8Å; I249-V273 HydrophobicContact CG2-CB 4.09Å; I249-V273 HydrophobicContact CG2-CG2 3.48Å; I249-V273 VanDerWaalsContact CG2-CG2 3.48Å; C250-V273 HydrophobicContact CB-CG1 4.09Å; C250-V273 HydrophobicContact CB-CG2 4.41Å; F260-V273 WeakPolarHBondContact CA-O 3.32Å; G261-V273 PolarHBondContact N-O 3.44Å; G261-V273 PolarHBondContact O-N 2.97Å; V273-P518 WeakPolarHBondContact CA-O 3.21Å; V273-P518 HydrophobicContact CG1-CG 4.26Å; V273-P518 WeakPolarHBondContact CG1-O 3.24Å; V273-P518 HydrophobicContact CG2-CG 3.94Å; V273-F520 HydrophobicContact CB-CD1 4.36Å; V273-F520 HydrophobicContact CB-CE1 3.79Å; V273-F520 HydrophobicContact CB-CZ 4.14Å; V273-F520 HydrophobicContact CG1-CD1 3.47Å; V273-F520 VanDerWaalsContact CG1-CD1 3.47Å; V273-F520 HydrophobicContact CG1-CE1 3.4Å; V273-F520 VanDerWaalsContact CG1-CE1 3.4Å; V273-F520 HydrophobicContact CG1-CG 4.1Å; V273-F520 HydrophobicContact CG1-CZ 4Å
274	R	96.1	Very high	96.1	Very high	75 Å²	75	40.9 Å²	40.9	28%	0.283	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.8	-171.1	64.8	-169.7	-177.1	150	-12	113.1	V259 F260 Q278 P518 T519 F520	V259-R274 CarbonylContact O-C 3.48Å; V259-R274 WeakPolarHBondContact O-CA 3.48Å; F260-R274 HydrophobicContact CD1-CB 3.66Å; F260-R274 HydrophobicContact CE1-CB 3.9Å; R274-Q278 VanDerWaalsContact CD-O 3.3Å; R274-Q278 WeakPolarHBondContact CD-O 3.42Å; R274-Q278 PolarHBondContact NH1-O 3.47Å; R274-P518 PolarHBondContact N-O 3.33Å; R274-T519 HydrophobicContact CG-CG2 4.4Å; R274-T519 WeakPolarHBondContact O-CA 3.43Å; R274-T519 WeakPolarHBondContact O-CB 3.49Å; R274-F520 PolarHBondContact O-N 2.86Å
275	M	95.7	Very high	96.1	Very high	40 Å²	40	41.1 Å²	41.1	20%	0.197	20%	0.198	C	C	.	.			trans	-66.2	144.9	166.9	-167.2	-179.5	86.6	0	0	109.9	I40 V259 N277 Q278	I40-M275 HydrophobicContact CB-CE 4.34Å; I40-M275 HydrophobicContact CD1-CE 3.71Å; I40-M275 HydrophobicContact CG1-CE 3.52Å; I40-M275 HydrophobicContact CG2-CE 3.93Å; I40-M275 HydrophobicContact CG2-SD 3.91Å; V259-M275 PolarHBondContact O-N 3.44Å; M275-N277 PolarHBondContact O-N 2.96Å; M275-Q278 HydrophobicContact CB-CB 4.38Å; M275-Q278 HydrophobicContact CB-CG 3.84Å; M275-Q278 HydrophobicContact CE-CG 3.35Å; M275-Q278 VanDerWaalsContact CE-NE2 3.33Å; M275-Q278 HydrophobicContact CG-CG 4.32Å; M275-Q278 WeakPolarHBondContact O-CB 3.34Å; M275-Q278 PolarHBondContact O-N 3.13Å; M275-Q278 VanDerWaalsContact O-N 3.11Å; M275-Q278 HydrophobicContact SD-CG 4.5Å
276	K	92.4	Very high	96.2	Very high	148 Å²	148	41.2 Å²	41.2	64%	0.643	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	139.4	-179.9	-172.1	178.2	179.4	-179.5	0	110.9	Q278 T519	K276-Q278 PolarHBondContact O-N 2.9Å; K276-Q278 VanDerWaalsContact O-N 3.1Å; K276-T519 HydrophobicContact CB-CG2 4.39Å
277	N	91.4	Very high	96.3	Very high	141 Å²	141	35.5 Å²	35.5	75%	0.754	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	6.5	-178.6	-54.5	-27.6	0	0	0	115.6	M275	M275-N277 PolarHBondContact O-N 2.96Å
278	Q	94.6	Very high	96.4	Very high	26 Å²	26	32 Å²	32	12%	0.121	16%	0.155	C	C	.	.			trans	-94.8	142.4	173.8	-55.3	-52.2	-39.7	0	0	110.4	I40 V259 F260 R274 M275 K276 F313	I40-Q278 HydrophobicContact CD1-CG 4.36Å; V259-Q278 HydrophobicContact CG1-CB 4.27Å; V259-Q278 HydrophobicContact CG1-CG 4.16Å; F260-Q278 HydrophobicContact CE1-CB 4.1Å; F260-Q278 HydrophobicContact CZ-CB 3.97Å; R274-Q278 VanDerWaalsContact CD-O 3.3Å; R274-Q278 WeakPolarHBondContact CD-O 3.42Å; R274-Q278 PolarHBondContact NH1-O 3.47Å; M275-Q278 HydrophobicContact CB-CB 4.38Å; M275-Q278 HydrophobicContact CB-CG 3.84Å; M275-Q278 HydrophobicContact CE-CG 3.35Å; M275-Q278 VanDerWaalsContact CE-NE2 3.33Å; M275-Q278 HydrophobicContact CG-CG 4.32Å; M275-Q278 WeakPolarHBondContact O-CB 3.34Å; M275-Q278 PolarHBondContact O-N 3.13Å; M275-Q278 VanDerWaalsContact O-N 3.11Å; M275-Q278 HydrophobicContact SD-CG 4.5Å; K276-Q278 PolarHBondContact O-N 2.9Å; K276-Q278 VanDerWaalsContact O-N 3.1Å; Q278-F313 HydrophobicContact CB-CE2 4.35Å
279	H	93.1	Very high	96.3	Very high	122 Å²	122	31.3 Å²	31.3	57%	0.565	15%	0.151	S	C	*	.			trans	-131.6	141.5	177.4	177.6	-88.3	0	0	0	108.8
280	L	95.6	Very high	96.2	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.058	15%	0.151	C	C	.	.			trans	-111.6	123.2	176.7	-175.8	60.9	0	0	0	108.7	F260 I262 D284 I285 L310	F260-L280 HydrophobicContact CD1-CB 4.24Å; F260-L280 HydrophobicContact CE1-CB 3.78Å; F260-L280 HydrophobicContact CE2-CB 4.27Å; F260-L280 HydrophobicContact CE2-CD1 4.25Å; F260-L280 HydrophobicContact CZ-CB 3.79Å; I262-L280 HydrophobicContact CD1-CD2 3.56Å; L280-D284 HydrophobicContact CD1-CB 3.61Å; L280-D284 HydrophobicContact CG-CB 4.43Å; L280-I285 HydrophobicContact CD2-CD1 4Å; L280-I285 HydrophobicContact CD2-CG1 3.49Å; L280-I285 VanDerWaalsContact CD2-CG1 3.49Å; L280-I285 HydrophobicContact CG-CD1 4.08Å; L280-I285 HydrophobicContact CG-CG1 3.73Å; L280-L310 HydrophobicContact CD1-CD1 3.63Å
281	S	97	Very high	95.9	Very high	16 Å²	16	32.1 Å²	32.1	11%	0.112	16%	0.156	C	C	.	.			trans	-71.9	151	-177.1	75.2	0	0	0	0	111.8	S283 D284 I285 K312	S281-S283 VanDerWaalsContact C-N 3.26Å; S281-S283 PolarHBondContact O-N 3.43Å; S281-S283 PolarHBondContact OG-OG 3.33Å; S281-D284 PolarHBondContact O-N 3.22Å; S281-D284 VanDerWaalsContact O-N 3.16Å; S281-D284 WeakPolarHBondContact OG-CB 3.3Å; S281-D284 PolarHBondContact OG-N 2.97Å; S281-D284 VanDerWaalsContact OG-N 3.07Å; S281-D284 PolarHBondContact OG-OD2 3.39Å; S281-I285 PolarHBondContact O-N 2.91Å; S281-I285 VanDerWaalsContact O-N 3.16Å; S281-K312 WeakPolarHBondContact OG-CB 3.26Å
282	P	97.8	Very high	95.6	Very high	19 Å²	19	32.4 Å²	32.4	12%	0.123	16%	0.157	C	C	.	.	H	α-helix	trans	-54.8	-41.4	172.1	-29.1	37.2	0	0	0	113.2	I232 D284 I285 H286	I232-P282 HydrophobicContact CG2-CB 3.89Å; I232-P282 HydrophobicContact CG2-CG 4.47Å; P282-D284 VanDerWaalsContact C-N 3.35Å; P282-D284 PolarHBondContact O-N 3.05Å; P282-I285 PolarHBondContact O-N 2.9Å; P282-H286 PolarHBondContact O-CD2 2.88Å; P282-H286 PolarHBondContact O-N 3.01Å; P282-H286 PolarHBondContact O-ND1 2.99Å
283	S	97.8	Very high	95.3	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-40	176.8	47.3	0	0	0	0	113.2	S281 I285 H286 V287 K312	S281-S283 VanDerWaalsContact C-N 3.26Å; S281-S283 PolarHBondContact O-N 3.43Å; S281-S283 PolarHBondContact OG-OG 3.33Å; S283-I285 VanDerWaalsContact C-N 3.33Å; S283-H286 PolarHBondContact O-N 3.29Å; S283-V287 WeakPolarHBondContact O-CG2 3.45Å; S283-V287 PolarHBondContact O-N 2.83Å; S283-K312 WeakPolarHBondContact OG-CG 3.42Å
284	D	98.4	Very high	94.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-35.3	177.2	-65.2	-32.3	0	0	0	111.4	L280 S281 P282 V287 L288 L310 P311 K312 F313	L280-D284 HydrophobicContact CD1-CB 3.61Å; L280-D284 HydrophobicContact CG-CB 4.43Å; S281-D284 PolarHBondContact O-N 3.22Å; S281-D284 VanDerWaalsContact O-N 3.16Å; S281-D284 WeakPolarHBondContact OG-CB 3.3Å; S281-D284 PolarHBondContact OG-N 2.97Å; S281-D284 VanDerWaalsContact OG-N 3.07Å; S281-D284 PolarHBondContact OG-OD2 3.39Å; P282-D284 VanDerWaalsContact C-N 3.35Å; P282-D284 PolarHBondContact O-N 3.05Å; D284-V287 PolarHBondContact O-N 2.9Å; D284-L288 WeakPolarHBondContact O-CB 3.29Å; D284-L288 PolarHBondContact O-N 2.7Å; D284-L310 HydrophobicContact CB-CB 4.11Å; D284-L310 HydrophobicContact CB-CD2 4.2Å; D284-P311 WeakPolarHBondContact OD1-CD 3.49Å; D284-K312 PolarHBondContact OD1-N 3.25Å; D284-K312 WeakPolarHBondContact OD2-CB 3.39Å; D284-F313 PolarHBondContact OD2-N 2.83Å; D284-F313 VanDerWaalsContact OD2-N 3.14Å
285	I	98.1	Very high	93.8	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-41.9	174.8	-67	163	0	0	0	110.5	I232 F264 I269 L280 S281 P282 S283 L288 L289	I232-I285 HydrophobicContact CD1-CD1 4.28Å; I232-I285 HydrophobicContact CG2-CB 4.06Å; I232-I285 HydrophobicContact CG2-CD1 3.76Å; I232-I285 HydrophobicContact CG2-CG1 4.5Å; I232-I285 HydrophobicContact CG2-CG2 3.99Å; F264-I285 HydrophobicContact CE1-CG2 4.14Å; F264-I285 HydrophobicContact CZ-CG2 4.27Å; I269-I285 HydrophobicContact CD1-CD1 4.01Å; I269-I285 HydrophobicContact CD1-CG2 4.23Å; L280-I285 HydrophobicContact CD2-CD1 4Å; L280-I285 HydrophobicContact CD2-CG1 3.49Å; L280-I285 VanDerWaalsContact CD2-CG1 3.49Å; L280-I285 HydrophobicContact CG-CD1 4.08Å; L280-I285 HydrophobicContact CG-CG1 3.73Å; S281-I285 PolarHBondContact O-N 2.91Å; S281-I285 VanDerWaalsContact O-N 3.16Å; P282-I285 PolarHBondContact O-N 2.9Å; S283-I285 VanDerWaalsContact C-N 3.33Å; I285-L288 PolarHBondContact O-N 2.86Å; I285-L289 HydrophobicContact CG2-CD1 4.04Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.25Å; I285-L289 WeakPolarHBondContact O-CG 3.37Å; I285-L289 PolarHBondContact O-N 2.86Å
286	H	98.1	Very high	92.4	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-41.9	176.4	-60.6	152.4	0	0	0	112.3	Y177 G226 A231 P282 S283 L289 N290	Y177-H286 HydrophobicContact CE1-CB 3.68Å; Y177-H286 AromaticContact CE1-ND1 3.62Å; Y177-H286 AromaticContact CZ-ND1 3.64Å; Y177-H286 PolarHBondContact OH-ND1 3.07Å; G226-H286 PolarHBondContact O-CE1 3.01Å; A231-H286 PolarHBondContact O-CE1 2.93Å; A231-H286 PolarHBondContact O-NE2 2.89Å; P282-H286 PolarHBondContact O-CD2 2.88Å; P282-H286 PolarHBondContact O-N 3.01Å; P282-H286 PolarHBondContact O-ND1 2.99Å; S283-H286 PolarHBondContact O-N 3.29Å; H286-L289 PolarHBondContact O-N 3.5Å; H286-N290 VanDerWaalsContact O-CB 3.24Å; H286-N290 WeakPolarHBondContact O-CB 3.33Å; H286-N290 PolarHBondContact O-N 2.93Å
287	V	96.5	Very high	91	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-45.1	174.9	166.4	0	0	0	0	110.8	N180 S283 D284 N290 L291	N180-V287 HydrophobicContact CB-CG2 4.24Å; S283-V287 WeakPolarHBondContact O-CG2 3.45Å; S283-V287 PolarHBondContact O-N 2.83Å; D284-V287 PolarHBondContact O-N 2.9Å; V287-N290 PolarHBondContact O-N 3.44Å; V287-L291 PolarHBondContact O-N 2.98Å
288	L	96.6	Very high	89.7	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-49.8	176.3	175.8	65.2	0	0	0	111.9	D284 I285 N290 L291 I292 I308 V333 L335	D284-L288 WeakPolarHBondContact O-CB 3.29Å; D284-L288 PolarHBondContact O-N 2.7Å; I285-L288 PolarHBondContact O-N 2.86Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 3.38Å; L288-L291 PolarHBondContact O-N 3.21Å; L288-I292 HydrophobicContact CD1-CD1 3.84Å; L288-I292 HydrophobicContact CD1-CG1 4.37Å; L288-I292 HydrophobicContact CG-CD1 3.95Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 2.97Å; L288-I308 HydrophobicContact CB-CD1 4.32Å; L288-I308 HydrophobicContact CD1-CD1 3.72Å; L288-V333 HydrophobicContact CD1-CG1 4.38Å; L288-V333 HydrophobicContact CD2-CG1 4.13Å; L288-L335 HydrophobicContact CD2-CD1 4.45Å
289	L	95.8	Very high	88.2	Confident	8 Å²	8	33.4 Å²	33.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-40	177.6	-78.3	174.1	0	0	0	111.9	F264 D267 I285 H286 I292 G293 F331	F264-L289 HydrophobicContact CD1-CD1 4.49Å; F264-L289 HydrophobicContact CD1-CD2 3.72Å; F264-L289 HydrophobicContact CD1-CG 4.46Å; F264-L289 HydrophobicContact CE1-CD1 4.04Å; F264-L289 HydrophobicContact CE1-CD2 3.69Å; F264-L289 HydrophobicContact CE1-CG 3.97Å; F264-L289 HydrophobicContact CG-CD2 4.21Å; F264-L289 HydrophobicContact CZ-CD2 4.16Å; F264-L289 HydrophobicContact CZ-CG 4.38Å; D267-L289 HydrophobicContact CB-CD1 4.42Å; D267-L289 WeakPolarHBondContact O-CD1 3.36Å; I285-L289 HydrophobicContact CG2-CD1 4.04Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CB 3.25Å; I285-L289 WeakPolarHBondContact O-CG 3.37Å; I285-L289 PolarHBondContact O-N 2.86Å; H286-L289 PolarHBondContact O-N 3.5Å; L289-I292 PolarHBondContact O-N 3.01Å; L289-G293 PolarHBondContact O-N 3.03Å; L289-F331 HydrophobicContact CD2-CZ 3.95Å
290	N	95.1	Very high	87	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-42.4	177.1	-173.9	67.6	0	0	0	112.1	Q181 L213 S216 I217 R220 H286 V287 L288 G293 S294	Q181-N290 PolarHBondContact OE1-ND2 3.34Å; L213-N290 VanDerWaalsContact CD1-ND2 3.34Å; L213-N290 WeakPolarHBondContact CD1-ND2 3.4Å; L213-N290 PolarHBondContact O-ND2 3.26Å; S216-N290 VanDerWaalsContact CB-OD1 3.29Å; S216-N290 WeakPolarHBondContact CB-OD1 3.43Å; S216-N290 PolarHBondContact O-OD1 3.48Å; S216-N290 PolarHBondContact OG-OD1 2.77Å; I217-N290 WeakPolarHBondContact CA-OD1 3.39Å; I217-N290 WeakPolarHBondContact CB-ND2 3.32Å; I217-N290 HydrophobicContact CD1-CB 3.54Å; I217-N290 PolarHBondContact N-OD1 2.93Å; I217-N290 VanDerWaalsContact N-OD1 3.11Å; R220-N290 PolarHBondContact NH1-OD1 3.03Å; H286-N290 VanDerWaalsContact O-CB 3.24Å; H286-N290 WeakPolarHBondContact O-CB 3.33Å; H286-N290 PolarHBondContact O-N 2.93Å; V287-N290 PolarHBondContact O-N 3.44Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 3.38Å; N290-G293 PolarHBondContact O-N 3.11Å; N290-S294 WeakPolarHBondContact O-CB 3.3Å; N290-S294 PolarHBondContact O-N 3.23Å; N290-S294 PolarHBondContact O-OG 3.12Å
291	L	92.7	Very high	85.9	Confident	18 Å²	18	34.5 Å²	34.5	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-46.6	174.8	-178.2	62.3	0	0	0	111.9	L213 V287 L288 S294 S295 L306 I308	L213-L291 HydrophobicContact CD1-CB 4.14Å; L213-L291 HydrophobicContact CD1-CD1 3.84Å; L213-L291 HydrophobicContact CD2-CD1 3.95Å; V287-L291 PolarHBondContact O-N 2.98Å; L288-L291 PolarHBondContact O-N 3.21Å; L291-S294 PolarHBondContact O-N 2.95Å; L291-S295 WeakPolarHBondContact O-CB 3.29Å; L291-S295 PolarHBondContact O-N 3.08Å; L291-S295 PolarHBondContact O-OG 2.99Å; L291-L306 HydrophobicContact CD2-CD1 3.38Å; L291-L306 HydrophobicContact CG-CD1 4.08Å; L291-I308 HydrophobicContact CD2-CB 4.48Å; L291-I308 HydrophobicContact CD2-CD1 3.63Å; L291-I308 HydrophobicContact CD2-CG1 4.05Å
292	I	91.5	Very high	85.3	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-44.6	179.1	-65.8	170.3	0	0	0	111	L288 L289 S294 F298 V323 Y325 F331 V333	L288-I292 HydrophobicContact CD1-CD1 3.84Å; L288-I292 HydrophobicContact CD1-CG1 4.37Å; L288-I292 HydrophobicContact CG-CD1 3.95Å; L288-I292 WeakPolarHBondContact O-CG1 3.43Å; L288-I292 PolarHBondContact O-N 2.97Å; L289-I292 PolarHBondContact O-N 3.01Å; I292-S294 PolarHBondContact O-N 3.37Å; I292-F298 HydrophobicContact CB-CD2 4.38Å; I292-F298 HydrophobicContact CG1-CE2 4.37Å; I292-F298 HydrophobicContact CG2-CD2 4.31Å; I292-F298 WeakPolarHBondContact O-CD2 3.39Å; I292-V323 HydrophobicContact CD1-CG1 4.23Å; I292-V323 HydrophobicContact CD1-CG2 3.97Å; I292-V323 HydrophobicContact CG1-CG1 4.49Å; I292-V323 HydrophobicContact CG1-CG2 4.2Å; I292-V323 HydrophobicContact CG2-CG1 4.32Å; I292-Y325 VanDerWaalsContact CG2-OH 3.23Å; I292-Y325 WeakPolarHBondContact CG2-OH 3.42Å; I292-F331 HydrophobicContact CD1-CE2 4.02Å; I292-F331 HydrophobicContact CG2-CE2 4.02Å; I292-F331 HydrophobicContact CG2-CZ 4.27Å; I292-V333 HydrophobicContact CD1-CG2 3.58Å
293	G	89.1	Confident	84.8	Confident	47 Å²	47	39.4 Å²	39.4	49%	0.485	23%	0.234	S	C	.	.	H	α-helix	trans	-70.2	-27.2	-179.2	0	0	0	0	0	114.5	L289 N290	L289-G293 PolarHBondContact O-N 3.03Å; N290-G293 PolarHBondContact O-N 3.11Å
294	S	86.6	Confident	84.5	Confident	21 Å²	21	40 Å²	40	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-91	-17.7	-174.1	-53.4	0	0	0	0	114	S216 N290 L291 I292 Q296	S216-S294 WeakPolarHBondContact CB-OG 3.47Å; S216-S294 PolarHBondContact OG-OG 2.99Å; N290-S294 WeakPolarHBondContact O-CB 3.3Å; N290-S294 PolarHBondContact O-N 3.23Å; N290-S294 PolarHBondContact O-OG 3.12Å; L291-S294 PolarHBondContact O-N 2.95Å; I292-S294 PolarHBondContact O-N 3.37Å; S294-Q296 PolarHBondContact O-N 3.04Å
295	S	76.3	Confident	84.2	Confident	32 Å²	32	43.4 Å²	43.4	22%	0.224	25%	0.248	C	C	.	.			trans	-86.2	109.4	-175.5	-61	0	0	0	0	111.1	L291 S297 F298	L291-S295 WeakPolarHBondContact O-CB 3.29Å; L291-S295 PolarHBondContact O-N 3.08Å; L291-S295 PolarHBondContact O-OG 2.99Å; S295-S297 PolarHBondContact O-N 3Å; S295-F298 WeakPolarHBondContact O-CB 3.34Å; S295-F298 PolarHBondContact O-N 3.06Å; S295-F298 VanDerWaalsContact O-N 3.07Å; S295-F298 WeakPolarHBondContact OG-CE2 3.41Å
296	Q	65.3	Low	83.9	Confident	111 Å²	111	44.4 Å²	44.4	52%	0.519	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-62.1	-33.3	179.2	-64.7	-65.6	-6.6	0	0	112.4	S294 F298 K299	S294-Q296 PolarHBondContact O-N 3.04Å; Q296-F298 PolarHBondContact O-N 3.12Å; Q296-F298 VanDerWaalsContact O-N 3.12Å; Q296-K299 PolarHBondContact O-N 3.27Å; Q296-K299 VanDerWaalsContact O-N 3.08Å
297	S	64	Low	83.7	Confident	84 Å²	84	47.2 Å²	47.2	59%	0.587	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-57.2	-26.2	176	-49.7	0	0	0	0	112.5	S295 K299 S300 H304	S295-S297 PolarHBondContact O-N 3Å; S297-K299 PolarHBondContact O-N 3.13Å; S297-S300 PolarHBondContact O-N 3.39Å; S297-S300 PolarHBondContact O-OG 3.04Å; S297-S300 VanDerWaalsContact O-OG 3.07Å; S297-H304 PolarHBondContact O-CE1 2.99Å
298	F	63.7	Low	83.7	Confident	18 Å²	18	47.2 Å²	47.2	8%	0.079	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-71.9	-17.2	-180	-64.6	-25.5	0	0	0	114.6	I292 S295 Q296 H304 L306 Y325	I292-F298 HydrophobicContact CB-CD2 4.38Å; I292-F298 HydrophobicContact CG1-CE2 4.37Å; I292-F298 HydrophobicContact CG2-CD2 4.31Å; I292-F298 WeakPolarHBondContact O-CD2 3.39Å; S295-F298 WeakPolarHBondContact O-CB 3.34Å; S295-F298 PolarHBondContact O-N 3.06Å; S295-F298 VanDerWaalsContact O-N 3.07Å; S295-F298 WeakPolarHBondContact OG-CE2 3.41Å; Q296-F298 PolarHBondContact O-N 3.12Å; Q296-F298 VanDerWaalsContact O-N 3.12Å; F298-H304 VanDerWaalsContact CA-CE1 3.5Å; F298-H304 WeakPolarHBondContact CA-CE1 3.17Å; F298-H304 VanDerWaalsContact CA-NE2 3.29Å; F298-H304 WeakPolarHBondContact CA-NE2 3.46Å; F298-H304 HydrophobicContact CD1-CB 3.56Å; F298-H304 AromaticContact CD1-CD2 3.48Å; F298-H304 VanDerWaalsContact CD1-CD2 3.48Å; F298-H304 WeakPolarHBondContact CD1-CD2 3.29Å; F298-H304 AromaticContact CD1-CE1 3.85Å; F298-H304 AromaticContact CD1-CG 3.15Å; F298-H304 AromaticContact CD1-ND1 3.44Å; F298-H304 WeakPolarHBondContact CD1-ND1 3.23Å; F298-H304 AromaticContact CD1-NE2 3.91Å; F298-H304 HydrophobicContact CE1-CB 3.49Å; F298-H304 VanDerWaalsContact CE1-CB 3.49Å; F298-H304 AromaticContact CE1-CG 3.65Å; F298-H304 PolarHBondContact O-NE2 3Å; F298-L306 HydrophobicContact CE1-CD2 3.93Å; F298-L306 HydrophobicContact CZ-CD1 3.88Å; F298-L306 HydrophobicContact CZ-CD2 3.54Å; F298-L306 HydrophobicContact CZ-CG 4.29Å; F298-Y325 HydrophobicContact CB-CE2 4.15Å; F298-Y325 WeakPolarHBondContact O-CE2 3.02Å
299	K	63.7	Low	83.7	Confident	156 Å²	156	47.1 Å²	47.1	68%	0.678	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-86.2	-19.9	179.5	-61.7	-177.6	179.9	177.4	0	113.6	Q296 S297	Q296-K299 PolarHBondContact O-N 3.27Å; Q296-K299 VanDerWaalsContact O-N 3.08Å; S297-K299 PolarHBondContact O-N 3.13Å
300	S	66.5	Low	83.7	Confident	106 Å²	106	46.8 Å²	46.8	74%	0.741	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-31.3	-172.6	57.2	0	0	0	0	114	S297	S297-S300 PolarHBondContact O-N 3.39Å; S297-S300 PolarHBondContact O-OG 3.04Å; S297-S300 VanDerWaalsContact O-OG 3.07Å
301	A	74.2	Confident	83.8	Confident	50 Å²	50	47.4 Å²	47.4	41%	0.413	28%	0.275	S	S	.	.	S	Bend	trans	-113.6	154.3	175.2	0	0	0	0	0	111.7	H304	A301-H304 PolarHBondContact O-CE1 3.36Å; A301-H304 PolarHBondContact O-NE2 2.92Å
302	Q	83.9	Confident	84	Confident	119 Å²	119	52.1 Å²	52.1	56%	0.556	29%	0.294	S	S	*	.	S	Bend	trans	-75.1	-28.5	-177.8	-169.4	178.7	12.9	0	0	113.1	T324 Y325	Q302-T324 HydrophobicContact CG-CG2 4.48Å; Q302-T324 CarbonylContact O-C 3.56Å; Q302-T324 VanDerWaalsContact O-CA 3.3Å; Q302-T324 WeakPolarHBondContact O-CA 3.36Å; Q302-Y325 WeakPolarHBondContact CG-O 3.45Å; Q302-Y325 PolarHBondContact NE2-O 3.36Å; Q302-Y325 PolarHBondContact O-N 3.45Å
303	S	87.5	Confident	84.3	Confident	19 Å²	19	53 Å²	53	13%	0.133	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138	-175.8	-65.4	0	0	0	0	111.6	V323 T324	S303-V323 CarbonylContact C-O 3.49Å; S303-V323 WeakPolarHBondContact CA-O 3.41Å; S303-T324 VanDerWaalsContact OG-CG2 3.25Å; S303-T324 WeakPolarHBondContact OG-CG2 3.38Å; S303-T324 PolarHBondContact OG-OG1 2.67Å; S303-T324 VanDerWaalsContact OG-OG1 3.08Å
304	H	90.4	Very high	84.7	Confident	20 Å²	20	51.3 Å²	51.3	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.9	-176.4	-55.7	-75.8	0	0	0	111.7	S297 F298 A301 S322 V323	S297-H304 PolarHBondContact O-CE1 2.99Å; F298-H304 VanDerWaalsContact CA-CE1 3.5Å; F298-H304 WeakPolarHBondContact CA-CE1 3.17Å; F298-H304 VanDerWaalsContact CA-NE2 3.29Å; F298-H304 WeakPolarHBondContact CA-NE2 3.46Å; F298-H304 HydrophobicContact CD1-CB 3.56Å; F298-H304 AromaticContact CD1-CD2 3.48Å; F298-H304 VanDerWaalsContact CD1-CD2 3.48Å; F298-H304 WeakPolarHBondContact CD1-CD2 3.29Å; F298-H304 AromaticContact CD1-CE1 3.85Å; F298-H304 AromaticContact CD1-CG 3.15Å; F298-H304 AromaticContact CD1-ND1 3.44Å; F298-H304 WeakPolarHBondContact CD1-ND1 3.23Å; F298-H304 AromaticContact CD1-NE2 3.91Å; F298-H304 HydrophobicContact CE1-CB 3.49Å; F298-H304 VanDerWaalsContact CE1-CB 3.49Å; F298-H304 AromaticContact CE1-CG 3.65Å; F298-H304 PolarHBondContact O-NE2 3Å; A301-H304 PolarHBondContact O-CE1 3.36Å; A301-H304 PolarHBondContact O-NE2 2.92Å; H304-S322 WeakPolarHBondContact O-CA 3.24Å; H304-V323 HydrophobicContact CB-CB 4.33Å; H304-V323 PolarHBondContact N-O 2.97Å; H304-V323 PolarHBondContact O-N 3.3Å
305	W	92.6	Very high	85.1	Confident	75 Å²	75	51.5 Å²	51.5	28%	0.284	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.4	180	-174.1	-112.7	0	0	0	109.6	Y320 A321 T336 S339 F342 L345	W305-Y320 VanDerWaalsContact CH2-CB 3.41Å; W305-Y320 HydrophobicContact CH2-CG 4.38Å; W305-Y320 HydrophobicContact CZ2-CD1 4.07Å; W305-Y320 AromaticContact CZ2-CG 3.86Å; W305-Y320 HydrophobicContact CZ2-CG 3.86Å; W305-A321 WeakPolarHBondContact CA-O 3.33Å; W305-T336 HydrophobicContact CH2-CG2 3.63Å; W305-T336 HydrophobicContact CZ3-CG2 4.31Å; W305-S339 WeakPolarHBondContact CZ2-O 3.27Å; W305-F342 HydrophobicContact CB-CD2 3.49Å; W305-F342 VanDerWaalsContact CB-CD2 3.49Å; W305-F342 HydrophobicContact CB-CE2 3.71Å; W305-F342 HydrophobicContact CB-CG 4.42Å; W305-F342 HydrophobicContact CD2-CB 4.03Å; W305-F342 AromaticContact CD2-CD2 3.78Å; W305-F342 HydrophobicContact CD2-CD2 3.78Å; W305-F342 HydrophobicContact CD2-CG 4.35Å; W305-F342 HydrophobicContact CE3-CB 4.31Å; W305-F342 AromaticContact CE3-CD2 3.82Å; W305-F342 HydrophobicContact CE3-CD2 3.82Å; W305-F342 HydrophobicContact CG-CB 4.35Å; W305-F342 AromaticContact CG-CD2 3.69Å; W305-F342 HydrophobicContact CG-CD2 3.69Å; W305-F342 HydrophobicContact CG-CE2 4.41Å; W305-F342 HydrophobicContact CG-CG 4.32Å; W305-F342 HydrophobicContact CZ2-CB 4.44Å; W305-L345 HydrophobicContact CH2-CD1 3.86Å; W305-L345 HydrophobicContact CZ3-CD1 3.64Å
306	L	92.2	Very high	86	Confident	25 Å²	25	52 Å²	52	13%	0.131	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	145.9	179.1	61.8	153.7	0	0	0	112.5	L291 F298 A321 V323	L291-L306 HydrophobicContact CD2-CD1 3.38Å; L291-L306 HydrophobicContact CG-CD1 4.08Å; F298-L306 HydrophobicContact CE1-CD2 3.93Å; F298-L306 HydrophobicContact CZ-CD1 3.88Å; F298-L306 HydrophobicContact CZ-CD2 3.54Å; F298-L306 HydrophobicContact CZ-CG 4.29Å; L306-A321 HydrophobicContact CD2-CB 4.15Å; L306-A321 HydrophobicContact CG-CB 4.25Å; L306-A321 PolarHBondContact N-O 3.06Å; L306-A321 VanDerWaalsContact N-O 3.11Å; L306-A321 PolarHBondContact O-N 3.39Å; L306-V323 HydrophobicContact CD2-CG2 4.1Å
307	P	94.3	Very high	87.4	Confident	73 Å²	73	46.9 Å²	46.9	47%	0.474	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137.9	164	31.8	-33.3	0	0	0	109.7	F318 L319 Y320	P307-F318 HydrophobicContact CB-CB 4.33Å; P307-F318 HydrophobicContact CB-CD1 3.7Å; P307-F318 HydrophobicContact CB-CE1 4.22Å; P307-F318 HydrophobicContact CB-CG 4.09Å; P307-L319 CarbonylContact C-O 3.49Å; P307-L319 WeakPolarHBondContact CA-O 3.18Å; P307-Y320 HydrophobicContact CB-CD1 4.29Å; P307-Y320 HydrophobicContact CB-CE1 4.14Å
308	I	94.9	Very high	88.9	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.6	171.9	-171.1	176	0	0	0	110.3	L288 L291 L310 F318 L319 A321 L335	L288-I308 HydrophobicContact CB-CD1 4.32Å; L288-I308 HydrophobicContact CD1-CD1 3.72Å; L291-I308 HydrophobicContact CD2-CB 4.48Å; L291-I308 HydrophobicContact CD2-CD1 3.63Å; L291-I308 HydrophobicContact CD2-CG1 4.05Å; I308-L310 HydrophobicContact CD1-CD2 3.72Å; I308-L310 HydrophobicContact CG1-CD2 4.01Å; I308-L310 HydrophobicContact CG2-CD2 4.45Å; I308-F318 VanDerWaalsContact C-CD1 3.45Å; I308-L319 HydrophobicContact CG2-CB 4.46Å; I308-L319 PolarHBondContact N-O 2.71Å; I308-L319 PolarHBondContact O-N 3.01Å; I308-A321 HydrophobicContact CG2-CB 4.1Å; I308-L335 HydrophobicContact CG2-CD2 4.05Å
309	C	96.6	Very high	90.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.9	167.5	172.9	0	0	0	0	108.5	I183 S184 T187 P311 D314 A315 F318	I183-C309 WeakPolarHBondContact O-CB 3.42Å; S184-C309 WeakPolarHBondContact CA-O 3.5Å; S184-C309 WeakPolarHBondContact CB-O 3.24Å; S184-C309 WeakPolarHBondContact O-CB 3.28Å; S184-C309 PolarHBondContact O-N 2.95Å; T187-C309 HydrophobicContact CG2-CB 3.65Å; C309-P311 WeakPolarHBondContact O-CD 3.4Å; C309-D314 PolarHBondContact SG-O 3.31Å; C309-D314 VanDerWaalsContact SG-O 3.35Å; C309-A315 PolarHBondContact SG-O 2.94Å; C309-F318 HydrophobicContact CB-CD1 4.16Å; C309-F318 HydrophobicContact CB-CE1 4.03Å
310	L	97.6	Very high	92	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	98.2	176.3	-64.8	-175.7	0	0	0	107.7	L280 D284 I308 K312 F313 D314 L319 L335	L280-L310 HydrophobicContact CD1-CD1 3.63Å; D284-L310 HydrophobicContact CB-CB 4.11Å; D284-L310 HydrophobicContact CB-CD2 4.2Å; I308-L310 HydrophobicContact CD1-CD2 3.72Å; I308-L310 HydrophobicContact CG1-CD2 4.01Å; I308-L310 HydrophobicContact CG2-CD2 4.45Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 3.49Å; L310-K312 VanDerWaalsContact O-N 3.15Å; L310-F313 HydrophobicContact CB-CB 3.85Å; L310-F313 PolarHBondContact O-N 2.94Å; L310-D314 CarbonylContact O-C 3.46Å; L310-D314 PolarHBondContact O-N 2.81Å; L310-L319 HydrophobicContact CD1-CD1 3.63Å; L310-L319 HydrophobicContact CG-CD1 4.21Å; L310-L335 HydrophobicContact CD1-CD1 3.8Å
311	P	96.7	Very high	93.4	Very high	14 Å²	14	33.9 Å²	33.9	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-35.3	-162.2	-28.2	35.7	0	0	0	115.9	N180 I183 D284 C309 A315	N180-P311 HydrophobicContact CB-CB 4.42Å; N180-P311 HydrophobicContact CB-CG 3.97Å; N180-P311 WeakPolarHBondContact O-CG 3.08Å; N180-P311 WeakPolarHBondContact OD1-CB 3.29Å; I183-P311 HydrophobicContact CB-CG 4.06Å; I183-P311 HydrophobicContact CG2-CB 4.12Å; I183-P311 HydrophobicContact CG2-CG 3.88Å; D284-P311 WeakPolarHBondContact OD1-CD 3.49Å; C309-P311 WeakPolarHBondContact O-CD 3.4Å; P311-A315 WeakPolarHBondContact O-CB 3.47Å; P311-A315 PolarHBondContact O-N 2.97Å
312	K	97	Very high	94.4	Very high	117 Å²	117	31.5 Å²	31.5	51%	0.509	16%	0.156	S	C	.	.	H	α-helix	trans	-83.4	-25.7	177.5	-56.6	-61.5	-178.5	-163.3	0	112.7	E176 S281 S283 D284 L310	E176-K312 IonicContact OE1-NZ 2.88Å; E176-K312 PolarHBondContact OE1-NZ 3.21Å; S281-K312 WeakPolarHBondContact OG-CB 3.26Å; S283-K312 WeakPolarHBondContact OG-CG 3.42Å; D284-K312 PolarHBondContact OD1-N 3.25Å; D284-K312 WeakPolarHBondContact OD2-CB 3.39Å; L310-K312 VanDerWaalsContact C-N 3.33Å; L310-K312 PolarHBondContact O-N 3.49Å; L310-K312 VanDerWaalsContact O-N 3.15Å
313	F	97.5	Very high	94.9	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.105	13%	0.129	C	C	.	.	H	α-helix	trans	-73.8	-53.3	174.2	179.1	-98.3	0	0	0	111.4	A36 V37 I40 V259 F260 Q278 D284 L310 L319	A36-F313 HydrophobicContact CB-CE1 4.04Å; A36-F313 HydrophobicContact CB-CE2 4.46Å; A36-F313 HydrophobicContact CB-CZ 3.98Å; V37-F313 HydrophobicContact CG2-CE1 4.06Å; I40-F313 HydrophobicContact CD1-CE1 4.5Å; I40-F313 HydrophobicContact CD1-CZ 3.76Å; V259-F313 HydrophobicContact CG1-CE2 4.13Å; V259-F313 HydrophobicContact CG1-CZ 3.75Å; F260-F313 AromaticContact CE2-CD2 3.93Å; F260-F313 HydrophobicContact CE2-CD2 3.93Å; F260-F313 AromaticContact CE2-CE2 3.75Å; F260-F313 HydrophobicContact CE2-CE2 3.75Å; F260-F313 HydrophobicContact CE2-CZ 4.22Å; F260-F313 AromaticContact CZ-CD2 3.95Å; F260-F313 HydrophobicContact CZ-CD2 3.95Å; F260-F313 AromaticContact CZ-CE2 3.75Å; F260-F313 HydrophobicContact CZ-CE2 3.75Å; Q278-F313 HydrophobicContact CB-CE2 4.35Å; D284-F313 PolarHBondContact OD2-N 2.83Å; D284-F313 VanDerWaalsContact OD2-N 3.14Å; L310-F313 HydrophobicContact CB-CB 3.85Å; L310-F313 PolarHBondContact O-N 2.94Å; F313-L319 HydrophobicContact CD1-CD1 3.89Å; F313-L319 HydrophobicContact CD1-CG 4.48Å; F313-L319 HydrophobicContact CE1-CD1 3.92Å; F313-L319 HydrophobicContact CE1-CD2 4.13Å; F313-L319 HydrophobicContact CE1-CG 4.3Å
314	D	97.4	Very high	95.3	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.064	12%	0.123	C	C	.	.	H	α-helix	trans	-161.3	100.3	175.2	-166.9	-19	0	0	0	110	G35 A36 V37 C309 L310 N316 G317	G35-D314 WeakPolarHBondContact CA-OD2 3.32Å; A36-D314 HydrophobicContact CB-CB 4.34Å; A36-D314 PolarHBondContact N-OD2 2.89Å; V37-D314 WeakPolarHBondContact CB-OD2 3.4Å; V37-D314 HydrophobicContact CG2-CB 3.95Å; V37-D314 PolarHBondContact N-OD2 3.33Å; C309-D314 PolarHBondContact SG-O 3.31Å; C309-D314 VanDerWaalsContact SG-O 3.35Å; L310-D314 CarbonylContact O-C 3.46Å; L310-D314 PolarHBondContact O-N 2.81Å; D314-N316 PolarHBondContact O-N 3.06Å; D314-N316 VanDerWaalsContact O-N 3.16Å; D314-N316 PolarHBondContact OD1-N 3.32Å; D314-N316 VanDerWaalsContact OD1-N 3.11Å; D314-G317 PolarHBondContact O-N 3.44Å; D314-G317 PolarHBondContact OD1-N 3.11Å
315	A	96	Very high	95.4	Very high	24 Å²	24	25.7 Å²	25.7	20%	0.198	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-13.1	-179.6	0	0	0	0	0	114.5	T187 L188 C309 P311	T187-A315 WeakPolarHBondContact CA-O 3.37Å; T187-A315 WeakPolarHBondContact CB-O 3.39Å; L188-A315 HydrophobicContact CB-CB 4.02Å; L188-A315 WeakPolarHBondContact CB-O 3.28Å; L188-A315 HydrophobicContact CD2-CB 4.26Å; L188-A315 PolarHBondContact N-O 2.96Å; C309-A315 PolarHBondContact SG-O 2.94Å; P311-A315 WeakPolarHBondContact O-CB 3.47Å; P311-A315 PolarHBondContact O-N 2.97Å
316	N	95	Very high	95.4	Very high	44 Å²	44	23.8 Å²	23.8	24%	0.235	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-6.2	-175.8	-63.6	-44.8	0	0	0	113.1	Q189 D314	Q189-N316 HydrophobicContact CB-CB 4.38Å; Q189-N316 PolarHBondContact N-OD1 3.26Å; D314-N316 PolarHBondContact O-N 3.06Å; D314-N316 VanDerWaalsContact O-N 3.16Å; D314-N316 PolarHBondContact OD1-N 3.32Å; D314-N316 VanDerWaalsContact OD1-N 3.11Å
317	G	93.6	Very high	95.4	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.8	-174.8	0	0	0	0	0	112.1	D314	D314-G317 PolarHBondContact O-N 3.44Å; D314-G317 PolarHBondContact OD1-N 3.11Å
318	F	95.2	Very high	95.1	Very high	28 Å²	28	29 Å²	29	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.9	165.1	-78.8	-73.6	0	0	0	110.4	S185 T187 R190 P307 I308 C309	S185-F318 WeakPolarHBondContact O-CZ 3.49Å; T187-F318 HydrophobicContact CG2-CD1 4.45Å; T187-F318 HydrophobicContact CG2-CD2 3.69Å; T187-F318 HydrophobicContact CG2-CE1 4.18Å; T187-F318 HydrophobicContact CG2-CE2 3.32Å; T187-F318 HydrophobicContact CG2-CG 4.24Å; T187-F318 HydrophobicContact CG2-CZ 3.62Å; R190-F318 VanDerWaalsContact CZ-CE2 3.43Å; R190-F318 VanDerWaalsContact NH1-CE2 3.34Å; P307-F318 HydrophobicContact CB-CB 4.33Å; P307-F318 HydrophobicContact CB-CD1 3.7Å; P307-F318 HydrophobicContact CB-CE1 4.22Å; P307-F318 HydrophobicContact CB-CG 4.09Å; I308-F318 VanDerWaalsContact C-CD1 3.45Å; C309-F318 HydrophobicContact CB-CD1 4.16Å; C309-F318 HydrophobicContact CB-CE1 4.03Å
319	L	97	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	162.2	153.5	-66.6	171.4	0	0	0	108.6	V37 V259 P307 I308 L310 F313 L335 T336 V337	V37-L319 HydrophobicContact CG2-CD2 3.98Å; V37-L319 HydrophobicContact CG2-CG 4.27Å; V259-L319 HydrophobicContact CG2-CD2 3.99Å; P307-L319 CarbonylContact C-O 3.49Å; P307-L319 WeakPolarHBondContact CA-O 3.18Å; I308-L319 HydrophobicContact CG2-CB 4.46Å; I308-L319 PolarHBondContact N-O 2.71Å; I308-L319 PolarHBondContact O-N 3.01Å; L310-L319 HydrophobicContact CD1-CD1 3.63Å; L310-L319 HydrophobicContact CG-CD1 4.21Å; F313-L319 HydrophobicContact CD1-CD1 3.89Å; F313-L319 HydrophobicContact CD1-CG 4.48Å; F313-L319 HydrophobicContact CE1-CD1 3.92Å; F313-L319 HydrophobicContact CE1-CD2 4.13Å; F313-L319 HydrophobicContact CE1-CG 4.3Å; L319-L335 HydrophobicContact CB-CD2 4.49Å; L319-L335 HydrophobicContact CD1-CB 4.35Å; L319-L335 HydrophobicContact CD1-CD1 4.45Å; L319-T336 CarbonylContact C-O 3.49Å; L319-T336 WeakPolarHBondContact CA-O 3.41Å; L319-V337 HydrophobicContact CD2-CG1 3.74Å
320	Y	96.4	Very high	94.8	Very high	63 Å²	63	31 Å²	31	25%	0.247	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.7	171.4	-59.8	-91.4	0	0	0	109.3	W305 P307 L335 T336 S339	W305-Y320 VanDerWaalsContact CH2-CB 3.41Å; W305-Y320 HydrophobicContact CH2-CG 4.38Å; W305-Y320 HydrophobicContact CZ2-CD1 4.07Å; W305-Y320 AromaticContact CZ2-CG 3.86Å; W305-Y320 HydrophobicContact CZ2-CG 3.86Å; P307-Y320 HydrophobicContact CB-CD1 4.29Å; P307-Y320 HydrophobicContact CB-CE1 4.14Å; Y320-L335 WeakPolarHBondContact O-CA 3.48Å; Y320-T336 PolarHBondContact N-O 3.3Å; Y320-T336 PolarHBondContact O-N 3.48Å; Y320-S339 VanDerWaalsContact CE2-CB 3.49Å
321	A	96	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.1	-179.2	0	0	0	0	0	110.4	W305 L306 I308 V323 V333 L334 L335	W305-A321 WeakPolarHBondContact CA-O 3.33Å; L306-A321 HydrophobicContact CD2-CB 4.15Å; L306-A321 HydrophobicContact CG-CB 4.25Å; L306-A321 PolarHBondContact N-O 3.06Å; L306-A321 VanDerWaalsContact N-O 3.11Å; L306-A321 PolarHBondContact O-N 3.39Å; I308-A321 HydrophobicContact CG2-CB 4.1Å; A321-V323 HydrophobicContact CB-CG2 4.41Å; A321-V333 HydrophobicContact CB-CG1 4.35Å; A321-L334 WeakPolarHBondContact CA-O 3.34Å; A321-L335 HydrophobicContact CB-CD2 3.59Å
322	S	95.1	Very high	94.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	114.5	161.6	178.8	0	0	0	0	108.6	H304 V333 L334	H304-S322 WeakPolarHBondContact O-CA 3.24Å; S322-V333 CarbonylContact O-C 3.55Å; S322-V333 VanDerWaalsContact O-CA 3.32Å; S322-V333 WeakPolarHBondContact O-CA 3.46Å; S322-L334 PolarHBondContact N-O 2.91Å; S322-L334 PolarHBondContact O-N 3.43Å
323	V	95	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116	178.8	-175	0	0	0	0	108.3	I292 S303 H304 L306 A321 Y325 F331 M332 V333	I292-V323 HydrophobicContact CD1-CG1 4.23Å; I292-V323 HydrophobicContact CD1-CG2 3.97Å; I292-V323 HydrophobicContact CG1-CG1 4.49Å; I292-V323 HydrophobicContact CG1-CG2 4.2Å; I292-V323 HydrophobicContact CG2-CG1 4.32Å; S303-V323 CarbonylContact C-O 3.49Å; S303-V323 WeakPolarHBondContact CA-O 3.41Å; H304-V323 HydrophobicContact CB-CB 4.33Å; H304-V323 PolarHBondContact N-O 2.97Å; H304-V323 PolarHBondContact O-N 3.3Å; L306-V323 HydrophobicContact CD2-CG2 4.1Å; A321-V323 HydrophobicContact CB-CG2 4.41Å; V323-Y325 HydrophobicContact CG1-CE2 4Å; V323-F331 HydrophobicContact CG1-CD2 4.22Å; V323-M332 WeakPolarHBondContact CA-O 3.23Å; V323-V333 HydrophobicContact CG1-CG2 4.38Å; V323-V333 HydrophobicContact CG2-CG1 4.34Å; V323-V333 HydrophobicContact CG2-CG2 4.23Å
324	T	94.6	Very high	94.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.2	-179.8	-57.6	0	0	0	0	110.6	Q302 S303 F331 M332 T349 F353	Q302-T324 HydrophobicContact CG-CG2 4.48Å; Q302-T324 CarbonylContact O-C 3.56Å; Q302-T324 VanDerWaalsContact O-CA 3.3Å; Q302-T324 WeakPolarHBondContact O-CA 3.36Å; S303-T324 VanDerWaalsContact OG-CG2 3.25Å; S303-T324 WeakPolarHBondContact OG-CG2 3.38Å; S303-T324 PolarHBondContact OG-OG1 2.67Å; S303-T324 VanDerWaalsContact OG-OG1 3.08Å; T324-F331 WeakPolarHBondContact O-CA 3.44Å; T324-F331 WeakPolarHBondContact O-CB 3.33Å; T324-M332 PolarHBondContact N-O 2.84Å; T324-M332 PolarHBondContact O-N 2.84Å; T324-T349 HydrophobicContact CG2-CG2 3.88Å; T324-F353 HydrophobicContact CG2-CD2 4.47Å; T324-F353 HydrophobicContact CG2-CE2 3.87Å; T324-F353 WeakPolarHBondContact O-CZ 3.29Å
325	Y	93.4	Very high	94.8	Very high	37 Å²	37	23.6 Å²	23.6	15%	0.145	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.1	-179.9	-70.7	-96	0	0	0	111	I292 F298 Q302 V323 F331	I292-Y325 VanDerWaalsContact CG2-OH 3.23Å; I292-Y325 WeakPolarHBondContact CG2-OH 3.42Å; F298-Y325 HydrophobicContact CB-CE2 4.15Å; F298-Y325 WeakPolarHBondContact O-CE2 3.02Å; Q302-Y325 WeakPolarHBondContact CG-O 3.45Å; Q302-Y325 PolarHBondContact NE2-O 3.36Å; Q302-Y325 PolarHBondContact O-N 3.45Å; V323-Y325 HydrophobicContact CG1-CE2 4Å; Y325-F331 HydrophobicContact CD1-CB 3.57Å; Y325-F331 HydrophobicContact CD1-CD1 4.26Å; Y325-F331 HydrophobicContact CD1-CG 4.16Å; Y325-F331 HydrophobicContact CE1-CB 3.84Å; Y325-F331 AromaticContact CE1-CD1 3.88Å; Y325-F331 HydrophobicContact CE1-CD1 3.88Å; Y325-F331 AromaticContact CE1-CG 3.93Å; Y325-F331 HydrophobicContact CE1-CG 3.93Å; Y325-F331 HydrophobicContact CG-CB 3.94Å
326	L	92.9	Very high	94.8	Very high	35 Å²	35	22.5 Å²	22.5	18%	0.183	11%	0.114	C	C	.	.	S	Bend	trans	-81.7	-39.6	166.9	178	59.6	0	0	0	110	T330 F353 L365	L326-T330 HydrophobicContact CB-CG2 4.46Å; L326-T330 WeakPolarHBondContact CB-O 3.45Å; L326-T330 HydrophobicContact CD2-CG2 4.14Å; L326-T330 PolarHBondContact N-O 2.99Å; L326-F353 HydrophobicContact CB-CD1 4.24Å; L326-F353 HydrophobicContact CB-CD2 3.83Å; L326-F353 HydrophobicContact CB-CE1 4.01Å; L326-F353 HydrophobicContact CB-CE2 3.57Å; L326-F353 HydrophobicContact CB-CG 4.16Å; L326-F353 HydrophobicContact CB-CZ 3.67Å; L326-F353 HydrophobicContact CD1-CB 3.83Å; L326-F353 HydrophobicContact CD1-CD1 4.33Å; L326-F353 HydrophobicContact CD1-CD2 3.82Å; L326-F353 HydrophobicContact CD1-CE2 4.45Å; L326-F353 HydrophobicContact CD1-CG 3.75Å; L326-F353 HydrophobicContact CD2-CD1 4.34Å; L326-F353 HydrophobicContact CG-CD2 4.39Å; L326-F353 HydrophobicContact CG-CG 4.38Å; L326-F353 VanDerWaalsContact N-CE2 3.29Å; L326-L365 HydrophobicContact CD2-CD1 3.55Å; L326-L365 HydrophobicContact CD2-CD2 3.95Å; L326-L365 HydrophobicContact CD2-CG 4.4Å
327	N	90.8	Very high	94.9	Very high	43 Å²	43	20.8 Å²	20.8	23%	0.23	11%	0.105	C	C	.	.	S	Bend	trans	-159.1	-177.8	175	59.2	58.3	0	0	0	109.2	T329 T330	N327-T329 PolarHBondContact O-N 2.82Å; N327-T329 PolarHBondContact OD1-N 2.57Å; N327-T329 PolarHBondContact OD1-OG1 3.46Å; N327-T330 PolarHBondContact N-O 3.07Å; N327-T330 PolarHBondContact O-N 3.12Å; N327-T330 WeakPolarHBondContact OD1-CB 3.5Å; N327-T330 PolarHBondContact OD1-N 3.32Å; N327-T330 PolarHBondContact OD1-OG1 2.8Å
328	D	88.1	Confident	94.9	Very high	163 Å²	163	22.3 Å²	22.3	87%	0.872	11%	0.113	S	C	*	.	S	Bend	trans	-57.3	-20	-176.7	-60.2	-14.5	0	0	0	115
329	T	91.3	Very high	94.8	Very high	45 Å²	45	23.7 Å²	23.7	28%	0.276	13%	0.125	S	C	.	.	S	Bend	trans	-115.6	-22.6	-176.9	62.1	0	0	0	0	113.4	H265 K266 N327	H265-T329 CarbonylContact C-O 3.53Å; H265-T329 WeakPolarHBondContact CA-O 3.37Å; H265-T329 PolarHBondContact CE1-OG1 2.89Å; H265-T329 PolarHBondContact ND1-OG1 2.98Å; K266-T329 HydrophobicContact CG-CG2 4.34Å; K266-T329 PolarHBondContact N-O 3.08Å; N327-T329 PolarHBondContact O-N 2.82Å; N327-T329 PolarHBondContact OD1-N 2.57Å; N327-T329 PolarHBondContact OD1-OG1 3.46Å
330	T	95	Very high	94.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.4	-170.6	-49.8	0	0	0	0	109.2	L263 F264 H265 L326 N327	L263-T330 HydrophobicContact CD1-CG2 4.17Å; F264-T330 WeakPolarHBondContact O-CA 3.03Å; H265-T330 PolarHBondContact ND1-OG1 3.07Å; L326-T330 HydrophobicContact CB-CG2 4.46Å; L326-T330 WeakPolarHBondContact CB-O 3.45Å; L326-T330 HydrophobicContact CD2-CG2 4.14Å; L326-T330 PolarHBondContact N-O 2.99Å; N327-T330 PolarHBondContact N-O 3.07Å; N327-T330 PolarHBondContact O-N 3.12Å; N327-T330 WeakPolarHBondContact OD1-CB 3.5Å; N327-T330 PolarHBondContact OD1-N 3.32Å; N327-T330 PolarHBondContact OD1-OG1 2.8Å
331	F	95.6	Very high	94.4	Very high	12 Å²	12	30.8 Å²	30.8	5%	0.053	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157	-176.1	62	-85.2	0	0	0	110.7	F264 K266 L289 I292 V323 T324 Y325 V333	F264-F331 HydrophobicContact CB-CD1 4.21Å; F264-F331 HydrophobicContact CB-CD2 4.14Å; F264-F331 HydrophobicContact CB-CE1 3.75Å; F264-F331 HydrophobicContact CB-CE2 3.67Å; F264-F331 HydrophobicContact CB-CG 4.39Å; F264-F331 HydrophobicContact CB-CZ 3.45Å; F264-F331 VanDerWaalsContact CB-CZ 3.45Å; F264-F331 HydrophobicContact CD2-CD2 4.16Å; F264-F331 AromaticContact CD2-CE2 3.57Å; F264-F331 HydrophobicContact CD2-CE2 3.57Å; F264-F331 HydrophobicContact CD2-CZ 4.1Å; F264-F331 HydrophobicContact CE2-CE2 4.4Å; F264-F331 AromaticContact CG-CE2 3.81Å; F264-F331 HydrophobicContact CG-CE2 3.81Å; F264-F331 AromaticContact CG-CZ 3.85Å; F264-F331 HydrophobicContact CG-CZ 3.85Å; F264-F331 PolarHBondContact N-O 3.2Å; F264-F331 PolarHBondContact O-N 3.28Å; F264-F331 VanDerWaalsContact O-N 3.1Å; K266-F331 VanDerWaalsContact O-CE1 3.32Å; K266-F331 WeakPolarHBondContact O-CE1 3.42Å; L289-F331 HydrophobicContact CD2-CZ 3.95Å; I292-F331 HydrophobicContact CD1-CE2 4.02Å; I292-F331 HydrophobicContact CG2-CE2 4.02Å; I292-F331 HydrophobicContact CG2-CZ 4.27Å; V323-F331 HydrophobicContact CG1-CD2 4.22Å; T324-F331 WeakPolarHBondContact O-CA 3.44Å; T324-F331 WeakPolarHBondContact O-CB 3.33Å; Y325-F331 HydrophobicContact CD1-CB 3.57Å; Y325-F331 HydrophobicContact CD1-CD1 4.26Å; Y325-F331 HydrophobicContact CD1-CG 4.16Å; Y325-F331 HydrophobicContact CE1-CB 3.84Å; Y325-F331 AromaticContact CE1-CD1 3.88Å; Y325-F331 HydrophobicContact CE1-CD1 3.88Å; Y325-F331 AromaticContact CE1-CG 3.93Å; Y325-F331 HydrophobicContact CE1-CG 3.93Å; Y325-F331 HydrophobicContact CG-CB 3.94Å; F331-V333 HydrophobicContact CD2-CG2 4.04Å; F331-V333 HydrophobicContact CE2-CG2 4.04Å
332	M	96.6	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.8	-178.3	-179.5	164.1	169.2	0	0	109.8	I249 I262 L263 V323 T324 L334 T349 V352 F353	I249-M332 HydrophobicContact CG2-CE 3.96Å; I262-M332 CarbonylContact O-C 3.53Å; I262-M332 WeakPolarHBondContact O-CA 3.4Å; L263-M332 HydrophobicContact CD1-CB 4.07Å; V323-M332 WeakPolarHBondContact CA-O 3.23Å; T324-M332 PolarHBondContact N-O 2.84Å; T324-M332 PolarHBondContact O-N 2.84Å; M332-L334 HydrophobicContact CE-CD1 4.18Å; M332-L334 HydrophobicContact CE-CD2 3.29Å; M332-L334 HydrophobicContact CE-CG 3.89Å; M332-T349 HydrophobicContact CB-CG2 3.81Å; M332-T349 HydrophobicContact CG-CG2 4.09Å; M332-T349 HydrophobicContact SD-CG2 3.94Å; M332-V352 HydrophobicContact CE-CG1 4.5Å; M332-V352 HydrophobicContact CE-CG2 4.34Å; M332-V352 HydrophobicContact SD-CB 4.25Å; M332-V352 HydrophobicContact SD-CG1 3.85Å; M332-F353 HydrophobicContact CB-CE1 3.76Å; M332-F353 HydrophobicContact CB-CZ 3.7Å; M332-F353 HydrophobicContact SD-CE1 4.34Å
333	V	97	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.9	175.6	-173.7	0	0	0	0	108.8	I262 F264 L288 I292 A321 S322 V323 F331 L335	I262-V333 PolarHBondContact N-O 3.38Å; I262-V333 PolarHBondContact O-N 3.26Å; F264-V333 HydrophobicContact CD2-CG2 3.94Å; F264-V333 HydrophobicContact CE2-CB 4.22Å; F264-V333 HydrophobicContact CE2-CG2 3.79Å; L288-V333 HydrophobicContact CD1-CG1 4.38Å; L288-V333 HydrophobicContact CD2-CG1 4.13Å; I292-V333 HydrophobicContact CD1-CG2 3.58Å; A321-V333 HydrophobicContact CB-CG1 4.35Å; S322-V333 CarbonylContact O-C 3.55Å; S322-V333 VanDerWaalsContact O-CA 3.32Å; S322-V333 WeakPolarHBondContact O-CA 3.46Å; V323-V333 HydrophobicContact CG1-CG2 4.38Å; V323-V333 HydrophobicContact CG2-CG1 4.34Å; V323-V333 HydrophobicContact CG2-CG2 4.23Å; F331-V333 HydrophobicContact CD2-CG2 4.04Å; F331-V333 HydrophobicContact CE2-CG2 4.04Å; V333-L335 HydrophobicContact CG1-CD2 4.17Å; V333-L335 HydrophobicContact CG1-CG 4.17Å
334	L	97.8	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.2	169.5	-64.3	-178.3	0	0	0	109.3	L258 F260 G261 A321 S322 M332 L345 I348 T349	L258-L334 HydrophobicContact CD1-CB 3.91Å; L258-L334 HydrophobicContact CD1-CD2 4.2Å; L258-L334 HydrophobicContact CD2-CD2 4.4Å; F260-L334 WeakPolarHBondContact O-CA 3.35Å; G261-L334 VanDerWaalsContact CA-CD2 3.47Å; A321-L334 WeakPolarHBondContact CA-O 3.34Å; S322-L334 PolarHBondContact N-O 2.91Å; S322-L334 PolarHBondContact O-N 3.43Å; M332-L334 HydrophobicContact CE-CD1 4.18Å; M332-L334 HydrophobicContact CE-CD2 3.29Å; M332-L334 HydrophobicContact CE-CG 3.89Å; L334-L345 HydrophobicContact CB-CD2 4.02Å; L334-L345 HydrophobicContact CD1-CB 4.09Å; L334-L345 HydrophobicContact CD1-CD2 3.66Å; L334-L345 HydrophobicContact CD1-CG 4.45Å; L334-L345 HydrophobicContact CG-CD2 4.44Å; L334-I348 HydrophobicContact CD1-CB 4.25Å; L334-I348 HydrophobicContact CD1-CG2 3.81Å; L334-T349 WeakPolarHBondContact CD1-OG1 3.25Å
335	L	97.8	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.2	-179.9	-65.7	171.2	0	0	0	110.1	L258 V259 F260 L288 I308 L310 L319 Y320 A321 V333	L258-L335 WeakPolarHBondContact CD1-O 3.38Å; V259-L335 WeakPolarHBondContact CA-O 3.18Å; V259-L335 WeakPolarHBondContact CB-O 3.39Å; V259-L335 PolarHBondContact N-O 3.4Å; F260-L335 HydrophobicContact CB-CB 4.17Å; F260-L335 HydrophobicContact CB-CD1 4.09Å; F260-L335 HydrophobicContact CD2-CB 4.21Å; F260-L335 HydrophobicContact CD2-CD1 3.81Å; F260-L335 HydrophobicContact CG-CD1 4.35Å; F260-L335 PolarHBondContact N-O 3.17Å; F260-L335 PolarHBondContact O-N 3.23Å; L288-L335 HydrophobicContact CD2-CD1 4.45Å; I308-L335 HydrophobicContact CG2-CD2 4.05Å; L310-L335 HydrophobicContact CD1-CD1 3.8Å; L319-L335 HydrophobicContact CB-CD2 4.49Å; L319-L335 HydrophobicContact CD1-CB 4.35Å; L319-L335 HydrophobicContact CD1-CD1 4.45Å; Y320-L335 WeakPolarHBondContact O-CA 3.48Å; A321-L335 HydrophobicContact CB-CD2 3.59Å; V333-L335 HydrophobicContact CG1-CD2 4.17Å; V333-L335 HydrophobicContact CG1-CG 4.17Å
336	T	97.2	Very high	94.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.9	179.3	-177.9	0	0	0	0	111.4	G257 W305 L319 Y320 D338 K341 L345	G257-T336 WeakPolarHBondContact O-CA 3.14Å; G257-T336 PolarHBondContact O-OG1 3.4Å; G257-T336 VanDerWaalsContact O-OG1 3.08Å; W305-T336 HydrophobicContact CH2-CG2 3.63Å; W305-T336 HydrophobicContact CZ3-CG2 4.31Å; L319-T336 CarbonylContact C-O 3.49Å; L319-T336 WeakPolarHBondContact CA-O 3.41Å; Y320-T336 PolarHBondContact N-O 3.3Å; Y320-T336 PolarHBondContact O-N 3.48Å; T336-D338 VanDerWaalsContact C-N 3.3Å; T336-D338 WeakPolarHBondContact CG2-O 3.28Å; T336-D338 PolarHBondContact OG1-N 3.43Å; T336-K341 HydrophobicContact CG2-CB 4.47Å; T336-L345 HydrophobicContact CG2-CD1 3.58Å
337	V	96.3	Very high	94.3	Very high	8 Å²	8	47.3 Å²	47.3	5%	0.048	24%	0.241	C	C	.	.	S	Bend	trans	-81.6	-11.3	169.3	-62.6	0	0	0	0	113.2	V37 I40 L41 G257 V259 L319	V37-V337 HydrophobicContact CB-CG1 4.38Å; V37-V337 HydrophobicContact CG1-CB 4.19Å; V37-V337 HydrophobicContact CG1-CG1 3.97Å; V37-V337 HydrophobicContact CG2-CG1 4.49Å; I40-V337 HydrophobicContact CB-CG1 3.99Å; I40-V337 HydrophobicContact CD1-CG1 4.48Å; I40-V337 HydrophobicContact CG2-CG1 3.79Å; I40-V337 HydrophobicContact CG2-CG2 3.91Å; L41-V337 HydrophobicContact CB-CG2 4.43Å; L41-V337 HydrophobicContact CD1-CB 4.37Å; L41-V337 HydrophobicContact CD1-CG2 3.9Å; G257-V337 PolarHBondContact O-N 2.83Å; G257-V337 VanDerWaalsContact O-N 3.16Å; V259-V337 HydrophobicContact CG2-CG1 3.82Å; L319-V337 HydrophobicContact CD2-CG1 3.74Å
338	D	94.2	Very high	94.6	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	24%	0.235	C	C	.	.			trans	-104.1	118.2	-171.2	-172.9	-29.7	0	0	0	111.4	T336 E340 K341	T336-D338 VanDerWaalsContact C-N 3.3Å; T336-D338 WeakPolarHBondContact CG2-O 3.28Å; T336-D338 PolarHBondContact OG1-N 3.43Å; D338-E340 PolarHBondContact O-N 3.01Å; D338-E340 WeakPolarHBondContact OD1-CB 3.44Å; D338-E340 PolarHBondContact OD1-N 3.43Å; D338-K341 HydrophobicContact CB-CG 3.75Å; D338-K341 WeakPolarHBondContact OD2-CE 3.39Å; D338-K341 IonicContact OD2-NZ 3.82Å
339	S	92	Very high	95	Very high	56 Å²	56	38.4 Å²	38.4	39%	0.392	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.4	-175.4	66.2	0	0	0	0	114.2	W305 Y320	W305-S339 WeakPolarHBondContact CZ2-O 3.27Å; Y320-S339 VanDerWaalsContact CE2-CB 3.49Å
340	E	93.1	Very high	95.1	Very high	151 Å²	151	40.2 Å²	40.2	71%	0.706	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.4	-172.8	-57.1	-174.6	165.4	0	0	112.5	D338 F342	D338-E340 PolarHBondContact O-N 3.01Å; D338-E340 WeakPolarHBondContact OD1-CB 3.44Å; D338-E340 PolarHBondContact OD1-N 3.43Å; E340-F342 VanDerWaalsContact C-N 3.33Å; E340-F342 PolarHBondContact O-N 2.79Å
341	K	93.5	Very high	95.2	Very high	61 Å²	61	45.8 Å²	45.8	27%	0.265	22%	0.223	S	C	.	.			trans	-90.7	20	-172.8	-59.9	-56.1	169.9	-161.7	0	115.4	L255 T336 D338 Y343 P344 L345	L255-K341 HydrophobicContact CD2-CB 3.81Å; L255-K341 HydrophobicContact CD2-CD 4.22Å; L255-K341 HydrophobicContact CD2-CG 4.01Å; T336-K341 HydrophobicContact CG2-CB 4.47Å; D338-K341 HydrophobicContact CB-CG 3.75Å; D338-K341 WeakPolarHBondContact OD2-CE 3.39Å; D338-K341 IonicContact OD2-NZ 3.82Å; K341-Y343 PolarHBondContact O-N 2.81Å; K341-P344 HydrophobicContact CD-CG 4.38Å; K341-P344 WeakPolarHBondContact O-CD 3.32Å; K341-L345 HydrophobicContact CB-CD1 4.08Å; K341-L345 HydrophobicContact CB-CG 4.22Å; K341-L345 VanDerWaalsContact O-CB 3.31Å; K341-L345 WeakPolarHBondContact O-CB 3.03Å; K341-L345 WeakPolarHBondContact O-CD1 3.36Å; K341-L345 WeakPolarHBondContact O-CG 3.46Å; K341-L345 PolarHBondContact O-N 2.77Å; K341-L345 VanDerWaalsContact O-N 3.09Å
342	F	91.9	Very high	95.3	Very high	50 Å²	50	45.2 Å²	45.2	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-53.9	-57.8	178.2	174.8	-110.3	0	0	0	113.2	W305 E340 L345 K346	W305-F342 HydrophobicContact CB-CD2 3.49Å; W305-F342 VanDerWaalsContact CB-CD2 3.49Å; W305-F342 HydrophobicContact CB-CE2 3.71Å; W305-F342 HydrophobicContact CB-CG 4.42Å; W305-F342 HydrophobicContact CD2-CB 4.03Å; W305-F342 AromaticContact CD2-CD2 3.78Å; W305-F342 HydrophobicContact CD2-CD2 3.78Å; W305-F342 HydrophobicContact CD2-CG 4.35Å; W305-F342 HydrophobicContact CE3-CB 4.31Å; W305-F342 AromaticContact CE3-CD2 3.82Å; W305-F342 HydrophobicContact CE3-CD2 3.82Å; W305-F342 HydrophobicContact CG-CB 4.35Å; W305-F342 AromaticContact CG-CD2 3.69Å; W305-F342 HydrophobicContact CG-CD2 3.69Å; W305-F342 HydrophobicContact CG-CE2 4.41Å; W305-F342 HydrophobicContact CG-CG 4.32Å; W305-F342 HydrophobicContact CZ2-CB 4.44Å; E340-F342 VanDerWaalsContact C-N 3.33Å; E340-F342 PolarHBondContact O-N 2.79Å; F342-L345 PolarHBondContact O-N 3.46Å; F342-K346 HydrophobicContact CZ-CD 4.35Å; F342-K346 WeakPolarHBondContact O-CB 3.4Å; F342-K346 PolarHBondContact O-N 3Å
343	Y	93.8	Very high	95.3	Very high	180 Å²	180	45.6 Å²	45.6	71%	0.706	22%	0.222	S	C	*	.	H	α-helix	trans	-65.3	-45.4	-175.5	-63.1	-75.5	0	0	0	113.7	K341 L345 K346 S347	K341-Y343 PolarHBondContact O-N 2.81Å; Y343-L345 VanDerWaalsContact C-N 3.33Å; Y343-L345 PolarHBondContact O-N 3.19Å; Y343-K346 PolarHBondContact O-N 3.47Å; Y343-S347 PolarHBondContact O-N 3.43Å
344	P	95.5	Very high	95.2	Very high	49 Å²	49	49.6 Å²	49.6	32%	0.318	25%	0.247	S	C	.	.	H	α-helix	trans	-58.2	-41.6	174.1	-26.9	35.4	0	0	0	113.3	L255 K341 S347 I348	L255-P344 HydrophobicContact CD1-CB 4.1Å; L255-P344 HydrophobicContact CD2-CB 3.96Å; K341-P344 HydrophobicContact CD-CG 4.38Å; K341-P344 WeakPolarHBondContact O-CD 3.32Å; P344-S347 PolarHBondContact O-N 2.82Å; P344-I348 VanDerWaalsContact O-CG1 3.28Å; P344-I348 WeakPolarHBondContact O-CG1 3.11Å; P344-I348 PolarHBondContact O-N 3.11Å
345	L	95.7	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.6	-40.3	179.6	-69.7	174.2	0	0	0	112.3	L255 L258 W305 L334 T336 K341 F342 Y343 S347 I348 T349	L255-L345 HydrophobicContact CD2-CD2 3.55Å; L255-L345 HydrophobicContact CD2-CG 3.78Å; L258-L345 HydrophobicContact CD1-CD2 3.81Å; W305-L345 HydrophobicContact CH2-CD1 3.86Å; W305-L345 HydrophobicContact CZ3-CD1 3.64Å; L334-L345 HydrophobicContact CB-CD2 4.02Å; L334-L345 HydrophobicContact CD1-CB 4.09Å; L334-L345 HydrophobicContact CD1-CD2 3.66Å; L334-L345 HydrophobicContact CD1-CG 4.45Å; L334-L345 HydrophobicContact CG-CD2 4.44Å; T336-L345 HydrophobicContact CG2-CD1 3.58Å; K341-L345 HydrophobicContact CB-CD1 4.08Å; K341-L345 HydrophobicContact CB-CG 4.22Å; K341-L345 VanDerWaalsContact O-CB 3.31Å; K341-L345 WeakPolarHBondContact O-CB 3.03Å; K341-L345 WeakPolarHBondContact O-CD1 3.36Å; K341-L345 WeakPolarHBondContact O-CG 3.46Å; K341-L345 PolarHBondContact O-N 2.77Å; K341-L345 VanDerWaalsContact O-N 3.09Å; F342-L345 PolarHBondContact O-N 3.46Å; Y343-L345 VanDerWaalsContact C-N 3.33Å; Y343-L345 PolarHBondContact O-N 3.19Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 2.66Å; L345-I348 HydrophobicContact CD2-CD1 4.29Å; L345-I348 WeakPolarHBondContact O-CB 3.28Å; L345-I348 PolarHBondContact O-N 2.92Å; L345-T349 PolarHBondContact O-N 3.27Å; L345-T349 PolarHBondContact O-OG1 2.64Å; L345-T349 VanDerWaalsContact O-OG1 3.13Å
346	K	93.4	Very high	95.1	Very high	69 Å²	69	52 Å²	52	30%	0.3	26%	0.259	S	S	.	.	H	α-helix	trans	-57.6	-48	172.8	-175.8	-179.6	174.9	-172	0	111.1	F342 Y343 I348 T349 E350	F342-K346 HydrophobicContact CZ-CD 4.35Å; F342-K346 WeakPolarHBondContact O-CB 3.4Å; F342-K346 PolarHBondContact O-N 3Å; Y343-K346 PolarHBondContact O-N 3.47Å; K346-I348 VanDerWaalsContact C-N 3.35Å; K346-I348 PolarHBondContact O-N 3.37Å; K346-T349 PolarHBondContact O-N 3.17Å; K346-E350 WeakPolarHBondContact CE-OE1 3.41Å; K346-E350 IonicContact NZ-OE1 3.29Å; K346-E350 WeakPolarHBondContact O-CG 3.44Å; K346-E350 PolarHBondContact O-N 2.97Å
347	S	94.6	Very high	94.9	Very high	71 Å²	71	55.8 Å²	55.8	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-40.3	177.7	-177.5	0	0	0	0	112.6	Y343 P344 L345 T349 E350 K351	Y343-S347 PolarHBondContact O-N 3.43Å; P344-S347 PolarHBondContact O-N 2.82Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 2.66Å; S347-T349 VanDerWaalsContact C-N 3.35Å; S347-T349 PolarHBondContact O-N 2.88Å; S347-E350 PolarHBondContact O-N 2.94Å; S347-K351 WeakPolarHBondContact O-CB 3.34Å; S347-K351 PolarHBondContact O-N 3.4Å
348	I	96.5	Very high	94.8	Very high	19 Å²	19	59.5 Å²	59.5	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-58.1	-48.2	173.7	-74.8	165.6	0	0	0	110.5	A253 L255 L334 P344 L345 K346 K351 V352	A253-I348 HydrophobicContact CB-CG2 3.8Å; L255-I348 HydrophobicContact CB-CD1 3.92Å; L255-I348 HydrophobicContact CD2-CD1 4.37Å; L334-I348 HydrophobicContact CD1-CB 4.25Å; L334-I348 HydrophobicContact CD1-CG2 3.81Å; P344-I348 VanDerWaalsContact O-CG1 3.28Å; P344-I348 WeakPolarHBondContact O-CG1 3.11Å; P344-I348 PolarHBondContact O-N 3.11Å; L345-I348 HydrophobicContact CD2-CD1 4.29Å; L345-I348 WeakPolarHBondContact O-CB 3.28Å; L345-I348 PolarHBondContact O-N 2.92Å; K346-I348 VanDerWaalsContact C-N 3.35Å; K346-I348 PolarHBondContact O-N 3.37Å; I348-K351 PolarHBondContact O-N 3.48Å; I348-V352 WeakPolarHBondContact O-CG2 3.09Å; I348-V352 PolarHBondContact O-N 2.94Å
349	T	96	Very high	94.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-42.8	-177.9	-55	0	0	0	0	112.1	T324 M332 L334 L345 K346 S347 K351 V352 F353	T324-T349 HydrophobicContact CG2-CG2 3.88Å; M332-T349 HydrophobicContact CB-CG2 3.81Å; M332-T349 HydrophobicContact CG-CG2 4.09Å; M332-T349 HydrophobicContact SD-CG2 3.94Å; L334-T349 WeakPolarHBondContact CD1-OG1 3.25Å; L345-T349 PolarHBondContact O-N 3.27Å; L345-T349 PolarHBondContact O-OG1 2.64Å; L345-T349 VanDerWaalsContact O-OG1 3.13Å; K346-T349 PolarHBondContact O-N 3.17Å; S347-T349 VanDerWaalsContact C-N 3.35Å; S347-T349 PolarHBondContact O-N 2.88Å; T349-K351 VanDerWaalsContact C-N 3.29Å; T349-K351 PolarHBondContact O-N 3.21Å; T349-V352 PolarHBondContact O-N 3.47Å; T349-F353 HydrophobicContact CG2-CD1 4.33Å; T349-F353 HydrophobicContact CG2-CD2 4.09Å; T349-F353 HydrophobicContact CG2-CE1 3.97Å; T349-F353 HydrophobicContact CG2-CE2 3.7Å; T349-F353 HydrophobicContact CG2-CG 4.4Å; T349-F353 HydrophobicContact CG2-CZ 3.63Å; T349-F353 WeakPolarHBondContact O-CB 3.4Å; T349-F353 WeakPolarHBondContact O-CG 3.38Å; T349-F353 PolarHBondContact O-N 2.91Å
350	E	94.8	Very high	94.7	Very high	83 Å²	83	62.1 Å²	62.1	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-40.9	174.3	-72.8	171.6	173.5	0	0	111.9	K346 S347 F353 T354	K346-E350 WeakPolarHBondContact CE-OE1 3.41Å; K346-E350 IonicContact NZ-OE1 3.29Å; K346-E350 WeakPolarHBondContact O-CG 3.44Å; K346-E350 PolarHBondContact O-N 2.97Å; S347-E350 PolarHBondContact O-N 2.94Å; E350-F353 PolarHBondContact O-N 3.27Å; E350-T354 WeakPolarHBondContact O-CB 3.46Å; E350-T354 PolarHBondContact O-N 3.45Å; E350-T354 PolarHBondContact O-OG1 3.44Å
351	K	96.1	Very high	94.6	Very high	117 Å²	117	62 Å²	62	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-45.1	175.4	-170	-177.6	-175.6	-161.1	0	112	N252 S347 I348 T349 F353 T354 L355	N252-K351 HydrophobicContact CB-CD 4.46Å; N252-K351 VanDerWaalsContact OD1-CD 3.29Å; N252-K351 WeakPolarHBondContact OD1-CD 3.43Å; N252-K351 WeakPolarHBondContact OD1-CE 3.5Å; N252-K351 PolarHBondContact OD1-NZ 2.78Å; S347-K351 WeakPolarHBondContact O-CB 3.34Å; S347-K351 PolarHBondContact O-N 3.4Å; I348-K351 PolarHBondContact O-N 3.48Å; T349-K351 VanDerWaalsContact C-N 3.29Å; T349-K351 PolarHBondContact O-N 3.21Å; K351-F353 VanDerWaalsContact C-N 3.34Å; K351-F353 PolarHBondContact O-N 3.34Å; K351-T354 PolarHBondContact O-N 2.91Å; K351-L355 HydrophobicContact CG-CD1 4.4Å; K351-L355 WeakPolarHBondContact O-CG 3.22Å; K351-L355 PolarHBondContact O-N 2.94Å
352	V	97.1	Very high	94.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-46	175.8	167.1	0	0	0	0	110.5	I248 I249 N252 M332 I348 T349 L355 L356	I248-V352 HydrophobicContact CG2-CG1 4.18Å; I249-V352 HydrophobicContact CG1-CG1 4.01Å; N252-V352 HydrophobicContact CB-CG2 3.91Å; M332-V352 HydrophobicContact CE-CG1 4.5Å; M332-V352 HydrophobicContact CE-CG2 4.34Å; M332-V352 HydrophobicContact SD-CB 4.25Å; M332-V352 HydrophobicContact SD-CG1 3.85Å; I348-V352 WeakPolarHBondContact O-CG2 3.09Å; I348-V352 PolarHBondContact O-N 2.94Å; T349-V352 PolarHBondContact O-N 3.47Å; V352-L355 PolarHBondContact O-N 3.44Å; V352-L356 HydrophobicContact CG1-CD1 4.14Å; V352-L356 HydrophobicContact CG1-CG 4.38Å; V352-L356 WeakPolarHBondContact O-CG 3.4Å; V352-L356 PolarHBondContact O-N 2.99Å
353	F	96.7	Very high	94.5	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.039	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-41.7	178	-75.2	-2.8	0	0	0	113	L263 T324 L326 M332 T349 E350 K351 L355 L356 N357	L263-F353 HydrophobicContact CD1-CE1 4.05Å; T324-F353 HydrophobicContact CG2-CD2 4.47Å; T324-F353 HydrophobicContact CG2-CE2 3.87Å; T324-F353 WeakPolarHBondContact O-CZ 3.29Å; L326-F353 HydrophobicContact CB-CD1 4.24Å; L326-F353 HydrophobicContact CB-CD2 3.83Å; L326-F353 HydrophobicContact CB-CE1 4.01Å; L326-F353 HydrophobicContact CB-CE2 3.57Å; L326-F353 HydrophobicContact CB-CG 4.16Å; L326-F353 HydrophobicContact CB-CZ 3.67Å; L326-F353 HydrophobicContact CD1-CB 3.83Å; L326-F353 HydrophobicContact CD1-CD1 4.33Å; L326-F353 HydrophobicContact CD1-CD2 3.82Å; L326-F353 HydrophobicContact CD1-CE2 4.45Å; L326-F353 HydrophobicContact CD1-CG 3.75Å; L326-F353 HydrophobicContact CD2-CD1 4.34Å; L326-F353 HydrophobicContact CG-CD2 4.39Å; L326-F353 HydrophobicContact CG-CG 4.38Å; L326-F353 VanDerWaalsContact N-CE2 3.29Å; M332-F353 HydrophobicContact CB-CE1 3.76Å; M332-F353 HydrophobicContact CB-CZ 3.7Å; M332-F353 HydrophobicContact SD-CE1 4.34Å; T349-F353 HydrophobicContact CG2-CD1 4.33Å; T349-F353 HydrophobicContact CG2-CD2 4.09Å; T349-F353 HydrophobicContact CG2-CE1 3.97Å; T349-F353 HydrophobicContact CG2-CE2 3.7Å; T349-F353 HydrophobicContact CG2-CG 4.4Å; T349-F353 HydrophobicContact CG2-CZ 3.63Å; T349-F353 WeakPolarHBondContact O-CB 3.4Å; T349-F353 WeakPolarHBondContact O-CG 3.38Å; T349-F353 PolarHBondContact O-N 2.91Å; E350-F353 PolarHBondContact O-N 3.27Å; K351-F353 VanDerWaalsContact C-N 3.34Å; K351-F353 PolarHBondContact O-N 3.34Å; F353-L355 VanDerWaalsContact C-N 3.3Å; F353-L355 PolarHBondContact O-N 3.15Å; F353-L356 HydrophobicContact CD1-CD1 4.22Å; F353-L356 PolarHBondContact O-N 3.44Å; F353-N357 PolarHBondContact O-N 3.43Å; F353-N357 PolarHBondContact O-ND2 3.47Å
354	T	96.2	Very high	94.5	Very high	83 Å²	83	52.7 Å²	52.7	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-58.6	-44.3	173	-58.1	0	0	0	0	111	E350 K351 N357 T358	E350-T354 WeakPolarHBondContact O-CB 3.46Å; E350-T354 PolarHBondContact O-N 3.45Å; E350-T354 PolarHBondContact O-OG1 3.44Å; K351-T354 PolarHBondContact O-N 2.91Å; T354-N357 PolarHBondContact O-N 2.83Å; T354-T358 HydrophobicContact CG2-CG2 4.45Å; T354-T358 WeakPolarHBondContact O-CB 3.4Å; T354-T358 WeakPolarHBondContact O-CG2 3.46Å; T354-T358 PolarHBondContact O-N 2.92Å; T354-T358 PolarHBondContact O-OG1 2.87Å
355	L	96.8	Very high	94.4	Very high	51 Å²	51	51.2 Å²	51.2	27%	0.267	28%	0.277	S	S	.	.	H	α-helix	trans	-67.7	-36.8	177.5	-72	170.6	0	0	0	112.8	I248 N252 K351 V352 F353 N357 T358 T359	I248-L355 HydrophobicContact CG2-CB 3.74Å; I248-L355 HydrophobicContact CG2-CD1 4.08Å; N252-L355 WeakPolarHBondContact ND2-CD1 3.1Å; K351-L355 HydrophobicContact CG-CD1 4.4Å; K351-L355 WeakPolarHBondContact O-CG 3.22Å; K351-L355 PolarHBondContact O-N 2.94Å; V352-L355 PolarHBondContact O-N 3.44Å; F353-L355 VanDerWaalsContact C-N 3.3Å; F353-L355 PolarHBondContact O-N 3.15Å; L355-N357 VanDerWaalsContact C-N 3.3Å; L355-N357 PolarHBondContact O-N 3.4Å; L355-T358 PolarHBondContact O-N 3.19Å; L355-T359 WeakPolarHBondContact O-CB 3.27Å; L355-T359 PolarHBondContact O-N 3.42Å; L355-T359 PolarHBondContact O-OG1 3.18Å
356	L	95.7	Very high	94.5	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-34.8	174.7	-72.1	176.9	0	0	0	112.4	I245 I248 L263 V352 F353	I245-L356 HydrophobicContact CB-CD2 4.43Å; I245-L356 HydrophobicContact CG1-CD2 3.86Å; I245-L356 HydrophobicContact CG2-CD2 4.26Å; I248-L356 HydrophobicContact CD1-CD2 4.01Å; L263-L356 HydrophobicContact CD2-CD1 4.04Å; V352-L356 HydrophobicContact CG1-CD1 4.14Å; V352-L356 HydrophobicContact CG1-CG 4.38Å; V352-L356 WeakPolarHBondContact O-CG 3.4Å; V352-L356 PolarHBondContact O-N 2.99Å; F353-L356 HydrophobicContact CD1-CD1 4.22Å; F353-L356 PolarHBondContact O-N 3.44Å
357	N	93.9	Very high	94.6	Very high	80 Å²	80	51.5 Å²	51.5	43%	0.428	29%	0.289	S	S	.	.	H	α-helix	trans	-76.8	-31.6	177.2	-77.9	-34.2	0	0	0	113.5	F353 T354 L355 G362 L365	F353-N357 PolarHBondContact O-N 3.43Å; F353-N357 PolarHBondContact O-ND2 3.47Å; T354-N357 PolarHBondContact O-N 2.83Å; L355-N357 VanDerWaalsContact C-N 3.3Å; L355-N357 PolarHBondContact O-N 3.4Å; N357-G362 VanDerWaalsContact O-CA 3.26Å; N357-G362 WeakPolarHBondContact O-CA 3.46Å; N357-G362 PolarHBondContact O-N 3.32Å; N357-L365 WeakPolarHBondContact OD1-CD2 3.35Å
358	T	94.5	Very high	94.7	Very high	85 Å²	85	48.1 Å²	48.1	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-100.1	-35.3	-171.7	52.8	0	0	0	0	113.5	T354 L355 N360 N361	T354-T358 HydrophobicContact CG2-CG2 4.45Å; T354-T358 WeakPolarHBondContact O-CB 3.4Å; T354-T358 WeakPolarHBondContact O-CG2 3.46Å; T354-T358 PolarHBondContact O-N 2.92Å; T354-T358 PolarHBondContact O-OG1 2.87Å; L355-T358 PolarHBondContact O-N 3.19Å; T358-N360 PolarHBondContact O-N 2.62Å; T358-N361 PolarHBondContact O-N 3.21Å
359	T	92.5	Very high	94.7	Very high	51 Å²	51	52.6 Å²	52.6	31%	0.313	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-63.9	128.6	-178.1	-56.2	0	0	0	0	110	I248 L355 N361 G362	I248-T359 HydrophobicContact CD1-CG2 4.47Å; L355-T359 WeakPolarHBondContact O-CB 3.27Å; L355-T359 PolarHBondContact O-N 3.42Å; L355-T359 PolarHBondContact O-OG1 3.18Å; T359-N361 PolarHBondContact O-N 3.32Å; T359-G362 PolarHBondContact O-N 2.91Å
360	N	91.1	Very high	94.7	Very high	95 Å²	95	56.6 Å²	56.6	51%	0.508	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	50.6	42.4	-180	-162.4	17.8	0	0	0	111.9	T358 G362 N363	T358-N360 PolarHBondContact O-N 2.62Å; N360-G362 VanDerWaalsContact C-N 3.26Å; N360-G362 PolarHBondContact O-N 3.33Å; N360-N363 HydrophobicContact CB-CB 4.38Å; N360-N363 PolarHBondContact ND2-ND2 2.92Å; N360-N363 WeakPolarHBondContact O-CB 3.44Å; N360-N363 PolarHBondContact O-N 3.16Å; N360-N363 VanDerWaalsContact O-N 3.11Å; N360-N363 PolarHBondContact O-ND2 3.33Å; N360-N363 PolarHBondContact OD1-ND2 3.25Å
361	N	89.7	Confident	94.7	Very high	150 Å²	150	53.7 Å²	53.7	80%	0.802	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	56.3	31.7	-178.5	-57.8	-34.7	0	0	0	114.8	T358 T359 N363	T358-N361 PolarHBondContact O-N 3.21Å; T359-N361 PolarHBondContact O-N 3.32Å; N361-N363 VanDerWaalsContact C-N 3.26Å; N361-N363 PolarHBondContact O-N 2.9Å
362	G	90.2	Very high	94.5	Very high	11 Å²	11	54.7 Å²	54.7	11%	0.113	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	76.4	11.6	179.5	0	0	0	0	0	114.1	N357 T359 N360 H364 L365 S366	N357-G362 VanDerWaalsContact O-CA 3.26Å; N357-G362 WeakPolarHBondContact O-CA 3.46Å; N357-G362 PolarHBondContact O-N 3.32Å; T359-G362 PolarHBondContact O-N 2.91Å; N360-G362 VanDerWaalsContact C-N 3.26Å; N360-G362 PolarHBondContact O-N 3.33Å; G362-H364 PolarHBondContact O-N 2.81Å; G362-H364 VanDerWaalsContact O-N 3.12Å; G362-L365 PolarHBondContact O-N 3Å; G362-S366 PolarHBondContact O-N 3.2Å
363	N	93.7	Very high	94.5	Very high	71 Å²	71	56.7 Å²	56.7	38%	0.38	32%	0.317	S	S	.	.	H	α-helix	trans	-55.9	-30.2	-179	-78.6	-18.3	0	0	0	113.5	N360 N361 S366 A367	N360-N363 HydrophobicContact CB-CB 4.38Å; N360-N363 PolarHBondContact ND2-ND2 2.92Å; N360-N363 WeakPolarHBondContact O-CB 3.44Å; N360-N363 PolarHBondContact O-N 3.16Å; N360-N363 VanDerWaalsContact O-N 3.11Å; N360-N363 PolarHBondContact O-ND2 3.33Å; N360-N363 PolarHBondContact OD1-ND2 3.25Å; N361-N363 VanDerWaalsContact C-N 3.26Å; N361-N363 PolarHBondContact O-N 2.9Å; N363-S366 WeakPolarHBondContact CA-OG 3.45Å; N363-S366 PolarHBondContact O-OG 2.84Å; N363-A367 VanDerWaalsContact O-CB 3.24Å; N363-A367 WeakPolarHBondContact O-CB 3.49Å; N363-A367 PolarHBondContact O-N 2.97Å
364	H	94	Very high	94.4	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.06	32%	0.318	C	S	.	.	H	α-helix	trans	-70.4	-43.1	177.3	-58.3	-45.9	0	0	0	111.7	N241 I245 G362 A367 I368	N241-H364 PolarHBondContact OD1-CE1 2.88Å; N241-H364 PolarHBondContact OD1-ND1 2.86Å; I245-H364 HydrophobicContact CD1-CB 4.23Å; I245-H364 HydrophobicContact CG1-CB 3.97Å; G362-H364 PolarHBondContact O-N 2.81Å; G362-H364 VanDerWaalsContact O-N 3.12Å; H364-A367 PolarHBondContact O-N 2.82Å; H364-I368 WeakPolarHBondContact O-CG1 3.28Å; H364-I368 PolarHBondContact O-N 3.38Å
365	L	94.3	Very high	94.3	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-43.3	176.5	-179.5	61.2	0	0	0	111.3	L326 N357 G362 A367 I368 M369	L326-L365 HydrophobicContact CD2-CD1 3.55Å; L326-L365 HydrophobicContact CD2-CD2 3.95Å; L326-L365 HydrophobicContact CD2-CG 4.4Å; N357-L365 WeakPolarHBondContact OD1-CD2 3.35Å; G362-L365 PolarHBondContact O-N 3Å; L365-A367 VanDerWaalsContact C-N 3.26Å; L365-A367 PolarHBondContact O-N 3.06Å; L365-I368 WeakPolarHBondContact O-CB 3.46Å; L365-I368 PolarHBondContact O-N 3.26Å; L365-I368 VanDerWaalsContact O-N 3.12Å; L365-M369 HydrophobicContact CD1-CG 4.24Å; L365-M369 HydrophobicContact CD1-SD 4.29Å; L365-M369 HydrophobicContact CD2-SD 4.43Å; L365-M369 HydrophobicContact CG-CG 4.39Å; L365-M369 HydrophobicContact CG-SD 3.99Å; L365-M369 WeakPolarHBondContact O-CG 3.45Å; L365-M369 PolarHBondContact O-N 3Å
366	S	95.8	Very high	94.1	Very high	60 Å²	60	54.5 Å²	54.5	42%	0.42	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-37.7	176	67.3	0	0	0	0	111.4	G362 N363 M369 S370	G362-S366 PolarHBondContact O-N 3.2Å; N363-S366 WeakPolarHBondContact CA-OG 3.45Å; N363-S366 PolarHBondContact O-OG 2.84Å; S366-M369 PolarHBondContact O-N 3.33Å; S366-S370 VanDerWaalsContact O-CB 3.24Å; S366-S370 WeakPolarHBondContact O-CB 3.14Å; S366-S370 PolarHBondContact O-N 2.85Å; S366-S370 PolarHBondContact O-OG 3.3Å
367	A	96.7	Very high	93.9	Very high	16 Å²	16	58.7 Å²	58.7	13%	0.132	33%	0.33	C	S	.	.	H	α-helix	trans	-63.4	-40.4	173.5	0	0	0	0	0	112.9	L237 N241 N363 H364 L365 S370 S371	L237-A367 HydrophobicContact CD1-CB 3.74Å; N241-A367 WeakPolarHBondContact ND2-CB 3.4Å; N363-A367 VanDerWaalsContact O-CB 3.24Å; N363-A367 WeakPolarHBondContact O-CB 3.49Å; N363-A367 PolarHBondContact O-N 2.97Å; H364-A367 PolarHBondContact O-N 2.82Å; L365-A367 VanDerWaalsContact C-N 3.26Å; L365-A367 PolarHBondContact O-N 3.06Å; A367-S370 PolarHBondContact O-OG 3.2Å; A367-S371 PolarHBondContact O-N 3.3Å; A367-S371 VanDerWaalsContact O-N 3.13Å
368	I	97	Very high	93.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-51.8	172.7	-64.8	165	0	0	0	110	I245 L263 H265 V270 H364 L365 S370 S371	I245-I368 HydrophobicContact CD1-CD1 3.87Å; I245-I368 HydrophobicContact CD1-CG1 4.1Å; L263-I368 HydrophobicContact CD2-CD1 4.13Å; H265-I368 HydrophobicContact CB-CG2 3.66Å; V270-I368 HydrophobicContact CG1-CD1 3.83Å; V270-I368 HydrophobicContact CG1-CG1 3.9Å; V270-I368 HydrophobicContact CG2-CD1 4.41Å; V270-I368 HydrophobicContact CG2-CG1 4.36Å; V270-I368 HydrophobicContact CG2-CG2 4.05Å; H364-I368 WeakPolarHBondContact O-CG1 3.28Å; H364-I368 PolarHBondContact O-N 3.38Å; L365-I368 WeakPolarHBondContact O-CB 3.46Å; L365-I368 PolarHBondContact O-N 3.26Å; L365-I368 VanDerWaalsContact O-N 3.12Å; I368-S370 VanDerWaalsContact C-N 3.3Å; I368-S370 PolarHBondContact O-N 3.41Å; I368-S371 WeakPolarHBondContact O-CB 3.31Å; I368-S371 PolarHBondContact O-N 3.44Å; I368-S371 VanDerWaalsContact O-N 3.13Å
369	M	95.8	Very high	93.5	Very high	113 Å²	113	55.9 Å²	55.9	56%	0.557	31%	0.312	S	S	*	.	H	α-helix	trans	-66.4	-30.7	-175.6	-66.4	178.5	75.5	0	0	113	L365 S366	L365-M369 HydrophobicContact CD1-CG 4.24Å; L365-M369 HydrophobicContact CD1-SD 4.29Å; L365-M369 HydrophobicContact CD2-SD 4.43Å; L365-M369 HydrophobicContact CG-CG 4.39Å; L365-M369 HydrophobicContact CG-SD 3.99Å; L365-M369 WeakPolarHBondContact O-CG 3.45Å; L365-M369 PolarHBondContact O-N 3Å; S366-M369 PolarHBondContact O-N 3.33Å
370	S	95.2	Very high	93.5	Very high	83 Å²	83	56.7 Å²	56.7	58%	0.58	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.5	176.7	73.1	0	0	0	0	114	S366 A367 I368 K372	S366-S370 VanDerWaalsContact O-CB 3.24Å; S366-S370 WeakPolarHBondContact O-CB 3.14Å; S366-S370 PolarHBondContact O-N 2.85Å; S366-S370 PolarHBondContact O-OG 3.3Å; A367-S370 PolarHBondContact O-OG 3.2Å; I368-S370 VanDerWaalsContact C-N 3.3Å; I368-S370 PolarHBondContact O-N 3.41Å; S370-K372 PolarHBondContact O-N 2.96Å
371	S	95.5	Very high	93.7	Very high	23 Å²	23	52.7 Å²	52.7	16%	0.161	31%	0.309	C	S	.	.			trans	-62.5	131	-177.3	173.4	0	0	0	0	110.7	T235 P236 A367 I368	T235-S371 VanDerWaalsContact CG2-OG 3.26Å; T235-S371 WeakPolarHBondContact CG2-OG 3.37Å; P236-S371 WeakPolarHBondContact CD-OG 3.25Å; P236-S371 PolarHBondContact O-OG 2.88Å; A367-S371 PolarHBondContact O-N 3.3Å; A367-S371 VanDerWaalsContact O-N 3.13Å; I368-S371 WeakPolarHBondContact O-CB 3.31Å; I368-S371 PolarHBondContact O-N 3.44Å; I368-S371 VanDerWaalsContact O-N 3.13Å
372	K	93.3	Very high	93.8	Very high	138 Å²	138	53.5 Å²	53.5	60%	0.6	31%	0.305	S	S	*	.			trans	-123.2	141.4	176.2	-64.1	-171.2	179.3	-173	0	111	S370	S370-K372 PolarHBondContact O-N 2.96Å
373	F	95.5	Very high	94	Very high	42 Å²	42	55.3 Å²	55.3	18%	0.184	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-71.8	156.3	169.1	-78.8	-92.7	0	0	0	109.5	P236 D268 Q375 I398 E401	P236-F373 HydrophobicContact CG-CD1 3.95Å; P236-F373 HydrophobicContact CG-CD2 4.47Å; P236-F373 HydrophobicContact CG-CE1 4Å; P236-F373 HydrophobicContact CG-CG 4.17Å; P236-F373 HydrophobicContact CG-CZ 4.28Å; D268-F373 HydrophobicContact CB-CZ 4.4Å; D268-F373 VanDerWaalsContact CG-CZ 3.47Å; D268-F373 WeakPolarHBondContact OD1-CZ 3.23Å; D268-F373 VanDerWaalsContact OD2-CE2 3.24Å; D268-F373 WeakPolarHBondContact OD2-CE2 3.42Å; D268-F373 VanDerWaalsContact OD2-CZ 3.27Å; D268-F373 WeakPolarHBondContact OD2-CZ 3.39Å; F373-Q375 PolarHBondContact O-N 3.04Å; F373-I398 HydrophobicContact CD1-CD1 3.44Å; F373-I398 VanDerWaalsContact CD1-CD1 3.44Å; F373-I398 HydrophobicContact CE1-CD1 3.54Å; F373-E401 HydrophobicContact CB-CG 3.55Å; F373-E401 PolarHBondContact N-OE1 3.19Å
374	P	95.1	Very high	94.2	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.045	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.8	128	-173.2	25.2	-32	0	0	0	111.9	F387 I398 A399 S400 E401 W504 F512	P374-F387 HydrophobicContact CG-CE1 4.29Å; P374-F387 HydrophobicContact CG-CZ 3.93Å; P374-I398 HydrophobicContact CG-CG1 4.12Å; P374-A399 WeakPolarHBondContact CD-O 3.45Å; P374-S400 CarbonylContact O-C 3.54Å; P374-S400 WeakPolarHBondContact O-CA 3.24Å; P374-S400 WeakPolarHBondContact O-CB 3.23Å; P374-E401 PolarHBondContact O-N 3.41Å; P374-W504 HydrophobicContact CB-CH2 3.45Å; P374-W504 VanDerWaalsContact CB-CH2 3.45Å; P374-W504 HydrophobicContact CB-CZ2 4.12Å; P374-W504 HydrophobicContact CB-CZ3 4.42Å; P374-W504 HydrophobicContact CG-CH2 4.09Å; P374-F512 HydrophobicContact CB-CZ 4.33Å; P374-F512 HydrophobicContact CG-CE1 4.43Å; P374-F512 HydrophobicContact CG-CZ 4.27Å
375	Q	93.2	Very high	94.3	Very high	72 Å²	72	53.6 Å²	53.6	34%	0.336	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-87.3	150.2	169.9	-55.9	-163.1	-52.7	0	0	109.4	F373 S377 D378 I379 E401	F373-Q375 PolarHBondContact O-N 3.04Å; Q375-S377 PolarHBondContact O-N 3.32Å; Q375-D378 PolarHBondContact N-OD2 3.27Å; Q375-D378 WeakPolarHBondContact O-CB 3.38Å; Q375-D378 PolarHBondContact O-N 2.88Å; Q375-I379 WeakPolarHBondContact O-CG1 3.37Å; Q375-E401 HydrophobicContact CG-CB 4.39Å; Q375-E401 HydrophobicContact CG-CG 4.49Å; Q375-E401 WeakPolarHBondContact CG-OE2 3.48Å; Q375-E401 PolarHBondContact NE2-OE2 2.82Å
376	I	94	Very high	94.4	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.092	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.5	-34.8	179.9	-60.9	-53	0	0	0	112	D378 I379 L384 R385 F387 T403	I376-D378 PolarHBondContact O-N 3.45Å; I376-I379 HydrophobicContact CD1-CD1 3.88Å; I376-I379 WeakPolarHBondContact O-CB 3.26Å; I376-I379 PolarHBondContact O-N 3.49Å; I376-I379 VanDerWaalsContact O-N 3.14Å; I376-L384 HydrophobicContact CD1-CD2 4.12Å; I376-L384 HydrophobicContact CD1-CG 4.06Å; I376-L384 HydrophobicContact CG2-CB 4.29Å; I376-L384 HydrophobicContact CG2-CG 4.33Å; I376-L384 WeakPolarHBondContact CG2-O 3.3Å; I376-R385 WeakPolarHBondContact CG1-O 3.4Å; I376-F387 HydrophobicContact CD1-CD1 4.08Å; I376-T403 HydrophobicContact CB-CG2 4.35Å; I376-T403 HydrophobicContact CG1-CG2 4.19Å
377	S	90.7	Very high	94.5	Very high	87 Å²	87	50 Å²	50	61%	0.608	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-56.6	-36.7	173.2	47.1	0	0	0	0	113	Q375 I379 G380	Q375-S377 PolarHBondContact O-N 3.32Å; S377-I379 PolarHBondContact O-N 2.97Å; S377-G380 PolarHBondContact O-N 2.86Å
378	D	87.7	Confident	94.6	Very high	89 Å²	89	49.2 Å²	49.2	48%	0.476	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-74	-12.9	-178	-53.4	-27.5	0	0	0	113	Q375 I376 W504	Q375-D378 PolarHBondContact N-OD2 3.27Å; Q375-D378 WeakPolarHBondContact O-CB 3.38Å; Q375-D378 PolarHBondContact O-N 2.88Å; I376-D378 PolarHBondContact O-N 3.45Å; D378-W504 PolarHBondContact O-NE1 2.99Å
379	I	92.6	Very high	94.7	Very high	18 Å²	18	49.3 Å²	49.3	9%	0.092	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-33.5	180	-42.6	176.9	0	0	0	110.2	Q375 I376 S377 I381 L384 F387 L501 W504	Q375-I379 WeakPolarHBondContact O-CG1 3.37Å; I376-I379 HydrophobicContact CD1-CD1 3.88Å; I376-I379 WeakPolarHBondContact O-CB 3.26Å; I376-I379 PolarHBondContact O-N 3.49Å; I376-I379 VanDerWaalsContact O-N 3.14Å; S377-I379 PolarHBondContact O-N 2.97Å; I379-I381 HydrophobicContact CG2-CB 4.36Å; I379-I381 HydrophobicContact CG2-CD1 3.52Å; I379-I381 HydrophobicContact CG2-CG1 3.73Å; I379-I381 PolarHBondContact O-N 3.34Å; I379-L384 HydrophobicContact CD1-CD2 3.83Å; I379-F387 HydrophobicContact CD1-CD1 3.76Å; I379-F387 HydrophobicContact CD1-CE1 3.37Å; I379-F387 HydrophobicContact CD1-CZ 4.38Å; I379-L501 HydrophobicContact CD1-CD1 4.41Å; I379-L501 HydrophobicContact CG2-CD1 4.3Å; I379-W504 HydrophobicContact CB-CD2 4.46Å; I379-W504 HydrophobicContact CB-CZ2 4.46Å; I379-W504 HydrophobicContact CD1-CH2 4.44Å; I379-W504 HydrophobicContact CG1-CD2 4.37Å; I379-W504 HydrophobicContact CG1-CH2 4.05Å; I379-W504 HydrophobicContact CG1-CZ2 3.75Å; I379-W504 HydrophobicContact CG1-CZ3 4.43Å; I379-W504 HydrophobicContact CG2-CB 4.27Å; I379-W504 HydrophobicContact CG2-CD2 3.74Å; I379-W504 HydrophobicContact CG2-CE3 4.18Å; I379-W504 HydrophobicContact CG2-CG 3.76Å
380	G	92.1	Very high	94.8	Very high	67 Å²	67	44.9 Å²	44.9	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	14.2	-179.2	0	0	0	0	0	114.5	S377	S377-G380 PolarHBondContact O-N 2.86Å
381	I	94.7	Very high	95	Very high	12 Å²	12	41 Å²	41	6%	0.062	22%	0.221	C	C	.	.			trans	-89.5	116.2	177.9	-62.4	174.4	0	0	0	109.3	I379 L384 I497 Q500 L501	I379-I381 HydrophobicContact CG2-CB 4.36Å; I379-I381 HydrophobicContact CG2-CD1 3.52Å; I379-I381 HydrophobicContact CG2-CG1 3.73Å; I379-I381 PolarHBondContact O-N 3.34Å; I381-L384 HydrophobicContact CB-CB 4.29Å; I381-L384 HydrophobicContact CB-CD2 4.25Å; I381-L384 HydrophobicContact CD1-CD2 4.48Å; I381-L384 HydrophobicContact CG2-CB 4.06Å; I381-I497 HydrophobicContact CG2-CB 4.32Å; I381-I497 HydrophobicContact CG2-CG1 3.94Å; I381-I497 HydrophobicContact CG2-CG2 4.01Å; I381-Q500 HydrophobicContact CD1-CB 3.72Å; I381-Q500 HydrophobicContact CG1-CB 4.07Å; I381-L501 VanDerWaalsContact CD1-CA 3.46Å; I381-L501 HydrophobicContact CD1-CB 3.74Å; I381-L501 HydrophobicContact CD1-CD1 4.26Å; I381-L501 VanDerWaalsContact CD1-N 3.32Å
382	K	92.7	Very high	95	Very high	167 Å²	167	42.5 Å²	42.5	73%	0.726	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	145.2	177.9	-167	-175.8	174.5	-177.1	0	110.9	L384	K382-L384 PolarHBondContact O-N 3.4Å; K382-L384 VanDerWaalsContact O-N 3.09Å
383	N	94.3	Very high	95.1	Very high	49 Å²	49	40.5 Å²	40.5	26%	0.262	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	-0.8	176.5	-51.1	-34.4	0	0	0	116.1	L485 E486 I489	N383-L485 CarbonylContact O-C 3.45Å; N383-L485 WeakPolarHBondContact O-CA 3.49Å; N383-L485 WeakPolarHBondContact O-CB 3.26Å; N383-E486 HydrophobicContact CB-CB 4.02Å; N383-E486 HydrophobicContact CB-CG 3.81Å; N383-E486 PolarHBondContact O-N 3.13Å; N383-I489 HydrophobicContact CB-CD1 3.61Å; N383-I489 HydrophobicContact CB-CG1 4.13Å
384	L	97.2	Very high	95.1	Very high	10 Å²	10	41.1 Å²	41.1	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.8	168.7	179.5	63.5	0	0	0	108.9	I376 I379 I381 K382 F387 A483 L485 L501	I376-L384 HydrophobicContact CD1-CD2 4.12Å; I376-L384 HydrophobicContact CD1-CG 4.06Å; I376-L384 HydrophobicContact CG2-CB 4.29Å; I376-L384 HydrophobicContact CG2-CG 4.33Å; I376-L384 WeakPolarHBondContact CG2-O 3.3Å; I379-L384 HydrophobicContact CD1-CD2 3.83Å; I381-L384 HydrophobicContact CB-CB 4.29Å; I381-L384 HydrophobicContact CB-CD2 4.25Å; I381-L384 HydrophobicContact CD1-CD2 4.48Å; I381-L384 HydrophobicContact CG2-CB 4.06Å; K382-L384 PolarHBondContact O-N 3.4Å; K382-L384 VanDerWaalsContact O-N 3.09Å; L384-F387 HydrophobicContact CD1-CB 4.45Å; L384-F387 HydrophobicContact CD2-CD1 4.47Å; L384-A483 HydrophobicContact CD1-CB 3.99Å; L384-L485 HydrophobicContact CB-CD2 4.13Å; L384-L485 HydrophobicContact CD1-CD2 3.4Å; L384-L485 VanDerWaalsContact CD1-CD2 3.4Å; L384-L485 HydrophobicContact CG-CD2 4.36Å; L384-L501 HydrophobicContact CD1-CD2 4.28Å; L384-L501 HydrophobicContact CD2-CD1 4.04Å; L384-L501 HydrophobicContact CD2-CD2 4.31Å
385	R	96.1	Very high	95.2	Very high	38 Å²	38	41.5 Å²	41.5	14%	0.143	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-31.4	178	-61.1	-176.1	168.2	-179.7	3	113.8	I376 T403 Y406 T468 E469 T484 E486	I376-R385 WeakPolarHBondContact CG1-O 3.4Å; R385-T403 PolarHBondContact O-OG1 2.96Å; R385-Y406 HydrophobicContact CB-CE2 3.83Å; R385-T468 PolarHBondContact NH1-O 3.3Å; R385-E469 IonicContact NH1-OE1 3.81Å; R385-T484 WeakPolarHBondContact CA-O 3.41Å; R385-T484 WeakPolarHBondContact CB-O 3.22Å; R385-T484 PolarHBondContact N-O 3.49Å; R385-E486 IonicContact CZ-OE1 3.68Å; R385-E486 VanDerWaalsContact CZ-OE1 3.27Å; R385-E486 IonicContact CZ-OE2 2.69Å; R385-E486 VanDerWaalsContact NE-CD 3.32Å; R385-E486 IonicContact NE-OE1 2.99Å; R385-E486 PolarHBondContact NE-OE1 3.09Å; R385-E486 IonicContact NE-OE2 2.81Å; R385-E486 IonicContact NH2-OE1 3.54Å; R385-E486 PolarHBondContact NH2-OE1 3.17Å; R385-E486 IonicContact NH2-OE2 3.63Å; R385-E486 PolarHBondContact NH2-OE2 2.86Å
386	H	97.7	Very high	95.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	150.9	178.2	-177.7	-94.7	0	0	0	110	F225 S400 W402 Y406 Y445 A483 T484	F225-H386 AromaticContact CE2-CE1 3.96Å; F225-H386 AromaticContact CZ-CE1 3.44Å; F225-H386 VanDerWaalsContact CZ-CE1 3.44Å; F225-H386 WeakPolarHBondContact CZ-CE1 3.48Å; F225-H386 AromaticContact CZ-NE2 3.89Å; H386-S400 WeakPolarHBondContact CA-OG 3.36Å; H386-S400 PolarHBondContact CD2-OG 3.01Å; H386-S400 PolarHBondContact NE2-O 2.79Å; H386-W402 AromaticContact CD2-CE3 3.62Å; H386-W402 AromaticContact CD2-CZ3 3.66Å; H386-W402 AromaticContact CG-CZ3 3.95Å; H386-W402 AromaticContact NE2-CE3 3.98Å; H386-W402 AromaticContact NE2-CZ3 3.83Å; H386-Y406 HydrophobicContact CB-CE2 4.44Å; H386-Y445 AromaticContact CE1-CE2 3.87Å; H386-Y445 AromaticContact ND1-CE2 3.53Å; H386-Y445 AromaticContact ND1-CZ 3.71Å; H386-Y445 PolarHBondContact ND1-OH 3.27Å; H386-Y445 PolarHBondContact O-OH 3.35Å; H386-A483 CarbonylContact O-C 3.57Å; H386-A483 VanDerWaalsContact O-CA 3.27Å; H386-A483 WeakPolarHBondContact O-CA 3.33Å; H386-A483 WeakPolarHBondContact O-CB 3.18Å; H386-T484 PolarHBondContact N-O 3.02Å; H386-T484 VanDerWaalsContact N-O 3.17Å; H386-T484 PolarHBondContact O-N 3.15Å
387	F	98.2	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	158.3	169.8	80.6	-83.9	0	0	0	113.3	P374 I376 I379 L384 I398 A399 S400 L481 Y482 A483 L501 W504 I505	P374-F387 HydrophobicContact CG-CE1 4.29Å; P374-F387 HydrophobicContact CG-CZ 3.93Å; I376-F387 HydrophobicContact CD1-CD1 4.08Å; I379-F387 HydrophobicContact CD1-CD1 3.76Å; I379-F387 HydrophobicContact CD1-CE1 3.37Å; I379-F387 HydrophobicContact CD1-CZ 4.38Å; L384-F387 HydrophobicContact CD1-CB 4.45Å; L384-F387 HydrophobicContact CD2-CD1 4.47Å; F387-I398 HydrophobicContact CE2-CG2 4.28Å; F387-A399 WeakPolarHBondContact O-CA 3.48Å; F387-S400 PolarHBondContact N-OG 2.89Å; F387-S400 PolarHBondContact O-N 3.1Å; F387-S400 PolarHBondContact O-OG 3.35Å; F387-L481 HydrophobicContact CD2-CD1 4.24Å; F387-Y482 CarbonylContact C-O 3.5Å; F387-Y482 VanDerWaalsContact CA-O 3.26Å; F387-Y482 WeakPolarHBondContact CA-O 3.49Å; F387-A483 HydrophobicContact CB-CB 3.93Å; F387-L501 HydrophobicContact CB-CD2 3.87Å; F387-L501 HydrophobicContact CD1-CD1 4.12Å; F387-L501 HydrophobicContact CD2-CD1 4.29Å; F387-L501 HydrophobicContact CE1-CD1 4.42Å; F387-L501 HydrophobicContact CG-CD1 4.07Å; F387-L501 HydrophobicContact CG-CD2 4.19Å; F387-W504 HydrophobicContact CE1-CZ3 4.35Å; F387-W504 HydrophobicContact CZ-CH2 4.36Å; F387-W504 AromaticContact CZ-CZ3 3.8Å; F387-W504 HydrophobicContact CZ-CZ3 3.8Å; F387-I505 HydrophobicContact CD2-CD1 3.92Å; F387-I505 HydrophobicContact CE2-CD1 3.71Å; F387-I505 HydrophobicContact CE2-CG1 4.03Å; F387-I505 HydrophobicContact CZ-CG1 4.49Å
388	V	98.6	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.5	168.8	-175	0	0	0	0	108.8	F225 L229 Y397 I398 A399 Y445 L481 Y482	F225-V388 HydrophobicContact CB-CG1 4.18Å; F225-V388 HydrophobicContact CD1-CG2 3.65Å; F225-V388 HydrophobicContact CD2-CG2 3.99Å; F225-V388 HydrophobicContact CE1-CG2 3.69Å; F225-V388 HydrophobicContact CE2-CG2 4Å; F225-V388 HydrophobicContact CG-CG1 4.28Å; F225-V388 HydrophobicContact CG-CG2 3.82Å; F225-V388 HydrophobicContact CZ-CG2 3.87Å; L229-V388 HydrophobicContact CD1-CG1 3.57Å; V388-Y397 HydrophobicContact CG1-CD2 3.96Å; V388-I398 CarbonylContact C-O 3.57Å; V388-I398 WeakPolarHBondContact CA-O 3.43Å; V388-A399 HydrophobicContact CG1-CB 4.48Å; V388-A399 HydrophobicContact CG2-CB 3.87Å; V388-Y445 HydrophobicContact CB-CE2 4.39Å; V388-Y445 HydrophobicContact CG2-CD2 4.09Å; V388-Y445 HydrophobicContact CG2-CE2 3.75Å; V388-L481 WeakPolarHBondContact O-CA 3.26Å; V388-Y482 PolarHBondContact N-O 2.96Å; V388-Y482 PolarHBondContact O-N 2.93Å
389	Y	98.6	Very high	96.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134	175.6	173.7	-76.2	0	0	0	109.9	Y397 I398 F479 E480 L481 L502 I505 E506 F513	Y389-Y397 CarbonylContact O-C 3.5Å; Y389-Y397 WeakPolarHBondContact O-CA 3.26Å; Y389-Y397 VanDerWaalsContact O-CB 3.28Å; Y389-Y397 WeakPolarHBondContact O-CB 3.18Å; Y389-I398 HydrophobicContact CD1-CG2 4.43Å; Y389-I398 PolarHBondContact N-O 3.31Å; Y389-I398 PolarHBondContact O-N 2.77Å; Y389-F479 HydrophobicContact CD2-CB 4.38Å; Y389-F479 HydrophobicContact CD2-CD2 4.19Å; Y389-F479 HydrophobicContact CD2-CG 4.49Å; Y389-F479 HydrophobicContact CE1-CB 4.31Å; Y389-F479 HydrophobicContact CE2-CB 3.54Å; Y389-F479 HydrophobicContact CE2-CD1 4.44Å; Y389-F479 AromaticContact CE2-CD2 3.78Å; Y389-F479 HydrophobicContact CE2-CD2 3.78Å; Y389-F479 AromaticContact CE2-CG 3.68Å; Y389-F479 HydrophobicContact CE2-CG 3.68Å; Y389-F479 VanDerWaalsContact CZ-CB 3.5Å; Y389-F479 WeakPolarHBondContact OH-CB 3.34Å; Y389-E480 CarbonylContact C-O 3.57Å; Y389-E480 WeakPolarHBondContact CA-O 3.25Å; Y389-L481 HydrophobicContact CD2-CB 4.42Å; Y389-L481 HydrophobicContact CD2-CD1 4.32Å; Y389-L502 HydrophobicContact CE2-CD1 3.87Å; Y389-I505 HydrophobicContact CD1-CG2 3.94Å; Y389-I505 HydrophobicContact CD2-CD1 3.74Å; Y389-I505 HydrophobicContact CD2-CG2 3.9Å; Y389-I505 HydrophobicContact CE1-CG2 4.14Å; Y389-I505 HydrophobicContact CE2-CG2 4.07Å; Y389-I505 HydrophobicContact CG-CD1 3.96Å; Y389-I505 HydrophobicContact CG-CG2 3.83Å; Y389-E506 PolarHBondContact OH-OE1 3.41Å; Y389-F513 HydrophobicContact CD1-CE2 4.18Å; Y389-F513 AromaticContact CD1-CZ 3.63Å; Y389-F513 HydrophobicContact CD1-CZ 3.63Å; Y389-F513 AromaticContact CE1-CE2 3.93Å; Y389-F513 HydrophobicContact CE1-CE2 3.93Å; Y389-F513 AromaticContact CE1-CZ 3.78Å; Y389-F513 HydrophobicContact CE1-CZ 3.78Å
390	K	98.5	Very high	96.7	Very high	21 Å²	21	30.6 Å²	30.6	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.4	172.6	175.4	-166.2	172.9	-175.7	0	109.5	L229 A231 Q396 F479 E480	L229-K390 HydrophobicContact CB-CD 4.13Å; L229-K390 HydrophobicContact CD1-CB 4.43Å; L229-K390 HydrophobicContact CD2-CB 4.44Å; L229-K390 HydrophobicContact CD2-CD 4.21Å; L229-K390 WeakPolarHBondContact O-CD 3.3Å; L229-K390 WeakPolarHBondContact O-CE 3.31Å; L229-K390 PolarHBondContact O-NZ 3.38Å; A231-K390 HydrophobicContact CB-CD 4.36Å; A231-K390 HydrophobicContact CB-CG 4.06Å; K390-Q396 CarbonylContact C-O 3.54Å; K390-Q396 WeakPolarHBondContact CA-O 3.4Å; K390-F479 CarbonylContact O-C 3.52Å; K390-F479 WeakPolarHBondContact O-CA 3.37Å; K390-F479 WeakPolarHBondContact O-CB 3.41Å; K390-E480 HydrophobicContact CB-CB 4.22Å; K390-E480 HydrophobicContact CD-CG 4.26Å; K390-E480 WeakPolarHBondContact CD-OE1 3.25Å; K390-E480 PolarHBondContact N-O 2.82Å; K390-E480 IonicContact NZ-OE1 3.35Å; K390-E480 PolarHBondContact NZ-OE1 2.8Å; K390-E480 PolarHBondContact O-N 3.27Å
391	S	98	Very high	96.8	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112	164.2	-178.2	0	0	0	0	108.9	I394 G395 Q396	S391-I394 WeakPolarHBondContact OG-CG1 3.28Å; S391-G395 PolarHBondContact O-N 2.93Å; S391-Q396 PolarHBondContact N-O 2.88Å; S391-Q396 PolarHBondContact O-N 3.39Å
392	I	97.1	Very high	96.7	Very high	54 Å²	54	32.5 Å²	32.5	28%	0.277	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-49.6	-175.6	-64	170.6	0	0	0	111.6	I394 G395 T476 N478 E480	I392-I394 PolarHBondContact O-N 3.46Å; I392-G395 PolarHBondContact O-N 3.41Å; I392-T476 WeakPolarHBondContact CD1-O 3.42Å; I392-N478 PolarHBondContact N-O 2.84Å; I392-E480 HydrophobicContact CD1-CG 3.83Å; I392-E480 HydrophobicContact CG1-CG 3.97Å
393	P	95.5	Very high	96.6	Very high	96 Å²	96	26 Å²	26	62%	0.623	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.2	-175.4	-24.4	34.7	0	0	0	114.2	N478	P393-N478 WeakPolarHBondContact CD-O 3.29Å
394	I	94.2	Very high	96.3	Very high	55 Å²	55	28.9 Å²	28.9	28%	0.282	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-17.6	-174.3	-44.1	179.4	0	0	0	110.9	S391 I392 Q396 I514 L515	S391-I394 WeakPolarHBondContact OG-CG1 3.28Å; I392-I394 PolarHBondContact O-N 3.46Å; I394-Q396 VanDerWaalsContact C-N 3.33Å; I394-Q396 HydrophobicContact CB-CG 4.4Å; I394-Q396 HydrophobicContact CG2-CG 3.85Å; I394-I514 WeakPolarHBondContact CG2-O 3.04Å; I394-L515 HydrophobicContact CD1-CD2 3.4Å; I394-L515 VanDerWaalsContact CD1-CD2 3.4Å
395	G	96.6	Very high	96	Very high	15 Å²	15	30.8 Å²	30.8	16%	0.155	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	35.1	-177.6	0	0	0	0	0	112.9	A231 I232 S391 I392	A231-G395 CarbonylContact C-O 3.58Å; A231-G395 WeakPolarHBondContact CA-O 3.42Å; A231-G395 WeakPolarHBondContact CB-O 3.24Å; I232-G395 PolarHBondContact N-O 3.04Å; S391-G395 PolarHBondContact O-N 2.93Å; I392-G395 PolarHBondContact O-N 3.41Å
396	Q	98.3	Very high	95.8	Very high	10 Å²	10	29 Å²	29	5%	0.047	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.5	-178.6	-59.1	178.6	12.4	0	0	110.9	I232 C234 K390 S391 I394 F513 I514	I232-Q396 HydrophobicContact CD1-CG 4.13Å; I232-Q396 HydrophobicContact CG1-CB 4.45Å; I232-Q396 HydrophobicContact CG1-CG 3.76Å; I232-Q396 CarbonylContact O-C 3.51Å; I232-Q396 WeakPolarHBondContact O-CA 3.36Å; C234-Q396 VanDerWaalsContact SG-CD 3.59Å; C234-Q396 PolarHBondContact SG-OE1 3.46Å; K390-Q396 CarbonylContact C-O 3.54Å; K390-Q396 WeakPolarHBondContact CA-O 3.4Å; S391-Q396 PolarHBondContact N-O 2.88Å; S391-Q396 PolarHBondContact O-N 3.39Å; I394-Q396 VanDerWaalsContact C-N 3.33Å; I394-Q396 HydrophobicContact CB-CG 4.4Å; I394-Q396 HydrophobicContact CG2-CG 3.85Å; Q396-F513 HydrophobicContact CB-CD1 3.63Å; Q396-F513 HydrophobicContact CB-CE1 4.14Å; Q396-F513 VanDerWaalsContact OE1-CA 3.23Å; Q396-I514 PolarHBondContact NE2-O 3.15Å
397	Y	98.6	Very high	95.2	Very high	27 Å²	27	29.5 Å²	29.5	11%	0.106	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.1	176.8	80.4	-84.4	0	0	0	112.4	F225 G226 L229 A231 I232 V388 Y389 A399	F225-Y397 HydrophobicContact CB-CD2 4.2Å; F225-Y397 HydrophobicContact CB-CE2 3.75Å; F225-Y397 HydrophobicContact CD2-CE2 4.39Å; G226-Y397 PolarHBondContact N-OH 2.96Å; L229-Y397 HydrophobicContact CD1-CD2 4.29Å; L229-Y397 HydrophobicContact CD1-CG 4.06Å; A231-Y397 HydrophobicContact CB-CD1 3.89Å; A231-Y397 WeakPolarHBondContact O-CD1 3.28Å; A231-Y397 WeakPolarHBondContact O-CE1 3.46Å; I232-Y397 VanDerWaalsContact C-CD1 3.48Å; I232-Y397 WeakPolarHBondContact O-CD1 3.38Å; I232-Y397 PolarHBondContact O-N 3.1Å; V388-Y397 HydrophobicContact CG1-CD2 3.96Å; Y389-Y397 CarbonylContact O-C 3.5Å; Y389-Y397 WeakPolarHBondContact O-CA 3.26Å; Y389-Y397 VanDerWaalsContact O-CB 3.28Å; Y389-Y397 WeakPolarHBondContact O-CB 3.18Å; Y397-A399 HydrophobicContact CE2-CB 4.49Å
398	I	98.2	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.4	171.3	-171.8	67.2	0	0	0	108.3	P236 F373 P374 F387 V388 Y389 F512 F513	P236-I398 HydrophobicContact CG-CD1 4.05Å; F373-I398 HydrophobicContact CD1-CD1 3.44Å; F373-I398 VanDerWaalsContact CD1-CD1 3.44Å; F373-I398 HydrophobicContact CE1-CD1 3.54Å; P374-I398 HydrophobicContact CG-CG1 4.12Å; F387-I398 HydrophobicContact CE2-CG2 4.28Å; V388-I398 CarbonylContact C-O 3.57Å; V388-I398 WeakPolarHBondContact CA-O 3.43Å; Y389-I398 HydrophobicContact CD1-CG2 4.43Å; Y389-I398 PolarHBondContact N-O 3.31Å; Y389-I398 PolarHBondContact O-N 2.77Å; I398-F512 HydrophobicContact CB-CB 4.35Å; I398-F512 HydrophobicContact CD1-CB 4.47Å; I398-F512 HydrophobicContact CD1-CD1 4.12Å; I398-F512 HydrophobicContact CD1-CG 4.36Å; I398-F512 HydrophobicContact CG1-CB 4.29Å; I398-F512 HydrophobicContact CG1-CD1 4.13Å; I398-F512 HydrophobicContact CG1-CD2 4.33Å; I398-F512 HydrophobicContact CG1-CG 4.02Å; I398-F512 HydrophobicContact CG2-CD2 4.33Å; I398-F513 HydrophobicContact CB-CE1 4.26Å; I398-F513 HydrophobicContact CB-CZ 4.17Å; I398-F513 HydrophobicContact CG2-CE1 4.31Å; I398-F513 HydrophobicContact CG2-CZ 3.74Å
399	A	97.8	Very high	92.8	Very high	13 Å²	13	33.3 Å²	33.3	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.3	173	0	0	0	0	0	109.6	F225 P374 F387 V388 Y397	F225-A399 HydrophobicContact CD2-CB 4Å; F225-A399 HydrophobicContact CE2-CB 4.07Å; P374-A399 WeakPolarHBondContact CD-O 3.45Å; F387-A399 WeakPolarHBondContact O-CA 3.48Å; V388-A399 HydrophobicContact CG1-CB 4.48Å; V388-A399 HydrophobicContact CG2-CB 3.87Å; Y397-A399 HydrophobicContact CE2-CB 4.49Å
400	S	97.2	Very high	91.3	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.035	22%	0.224	C	C	.	.			trans	-66.7	152.5	163.8	49.9	0	0	0	0	111	P374 H386 F387	P374-S400 CarbonylContact O-C 3.54Å; P374-S400 WeakPolarHBondContact O-CA 3.24Å; P374-S400 WeakPolarHBondContact O-CB 3.23Å; H386-S400 WeakPolarHBondContact CA-OG 3.36Å; H386-S400 PolarHBondContact CD2-OG 3.01Å; H386-S400 PolarHBondContact NE2-O 2.79Å; F387-S400 PolarHBondContact N-OG 2.89Å; F387-S400 PolarHBondContact O-N 3.1Å; F387-S400 PolarHBondContact O-OG 3.35Å
401	E	94.3	Very high	89.8	Confident	61 Å²	61	43.2 Å²	43.2	29%	0.285	24%	0.239	S	C	.	.			trans	-61.3	151.9	164.9	-66	-171.3	167.4	0	0	111	F373 P374 Q375 T403	F373-E401 HydrophobicContact CB-CG 3.55Å; F373-E401 PolarHBondContact N-OE1 3.19Å; P374-E401 PolarHBondContact O-N 3.41Å; Q375-E401 HydrophobicContact CG-CB 4.39Å; Q375-E401 HydrophobicContact CG-CG 4.49Å; Q375-E401 WeakPolarHBondContact CG-OE2 3.48Å; Q375-E401 PolarHBondContact NE2-OE2 2.82Å; E401-T403 PolarHBondContact O-N 3.32Å
402	W	93.7	Very high	88	Confident	57 Å²	57	48.5 Å²	48.5	22%	0.216	27%	0.267	C	S	.	.			trans	-69	111.3	172.2	-63.6	114.6	0	0	0	110	F225 H386 Y406 A407 R438 V441 L442	F225-W402 HydrophobicContact CE2-CZ2 4.04Å; F225-W402 AromaticContact CZ-CH2 3.75Å; F225-W402 HydrophobicContact CZ-CH2 3.75Å; F225-W402 AromaticContact CZ-CZ2 3.64Å; F225-W402 HydrophobicContact CZ-CZ2 3.64Å; H386-W402 AromaticContact CD2-CE3 3.62Å; H386-W402 AromaticContact CD2-CZ3 3.66Å; H386-W402 AromaticContact CG-CZ3 3.95Å; H386-W402 AromaticContact NE2-CE3 3.98Å; H386-W402 AromaticContact NE2-CZ3 3.83Å; W402-Y406 HydrophobicContact CE3-CD2 4.21Å; W402-Y406 HydrophobicContact CE3-CG 4.02Å; W402-Y406 HydrophobicContact CZ3-CD2 4.46Å; W402-Y406 HydrophobicContact CZ3-CG 4.31Å; W402-A407 WeakPolarHBondContact O-CB 3.4Å; W402-R438 HydrophobicContact CD2-CG 4.02Å; W402-R438 HydrophobicContact CE3-CG 4.13Å; W402-R438 HydrophobicContact CH2-CB 4.3Å; W402-R438 HydrophobicContact CH2-CG 4.26Å; W402-R438 HydrophobicContact CZ2-CB 4.32Å; W402-R438 HydrophobicContact CZ2-CG 4.17Å; W402-R438 HydrophobicContact CZ3-CG 4.25Å; W402-V441 HydrophobicContact CH2-CB 4.18Å; W402-V441 HydrophobicContact CH2-CG1 4.02Å; W402-V441 HydrophobicContact CZ3-CB 4.16Å; W402-V441 HydrophobicContact CZ3-CG1 4Å; W402-V441 HydrophobicContact CZ3-CG2 4.38Å; W402-L442 HydrophobicContact CZ2-CD1 4.45Å
403	T	90.1	Very high	86.2	Confident	31 Å²	31	48.8 Å²	48.8	19%	0.19	27%	0.273	C	S	.	.			trans	-101.5	167.6	172.1	58.8	0	0	0	0	110.7	I376 R385 E401 Y406 A407	I376-T403 HydrophobicContact CB-CG2 4.35Å; I376-T403 HydrophobicContact CG1-CG2 4.19Å; R385-T403 PolarHBondContact O-OG1 2.96Å; E401-T403 PolarHBondContact O-N 3.32Å; T403-Y406 CarbonylContact O-C 3.59Å; T403-Y406 WeakPolarHBondContact O-CA 3.26Å; T403-Y406 WeakPolarHBondContact O-CB 3.49Å; T403-Y406 PolarHBondContact O-N 3.22Å; T403-A407 PolarHBondContact O-N 2.93Å
404	V	87	Confident	84.1	Confident	109 Å²	109	51.3 Å²	51.3	66%	0.661	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	133.1	172.1	178	0	0	0	0	109.9	L412	V404-L412 HydrophobicContact CG2-CD1 4.36Å
405	P	91.1	Very high	81.5	Confident	51 Å²	51	56 Å²	56	33%	0.331	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89	8.5	8.3	37.3	-36.9	0	0	0	115.5	L437	P405-L437 HydrophobicContact CB-CD1 4.36Å
406	Y	92.1	Very high	78.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-95.9	-1.7	-175.9	-46.1	-58.4	0	0	0	114.4	R385 H386 W402 T403 V434 L437 R438 V441 E469 T484	R385-Y406 HydrophobicContact CB-CE2 3.83Å; H386-Y406 HydrophobicContact CB-CE2 4.44Å; W402-Y406 HydrophobicContact CE3-CD2 4.21Å; W402-Y406 HydrophobicContact CE3-CG 4.02Å; W402-Y406 HydrophobicContact CZ3-CD2 4.46Å; W402-Y406 HydrophobicContact CZ3-CG 4.31Å; T403-Y406 CarbonylContact O-C 3.59Å; T403-Y406 WeakPolarHBondContact O-CA 3.26Å; T403-Y406 WeakPolarHBondContact O-CB 3.49Å; T403-Y406 PolarHBondContact O-N 3.22Å; Y406-V434 VanDerWaalsContact O-CG1 3.24Å; Y406-V434 WeakPolarHBondContact O-CG1 3.26Å; Y406-L437 HydrophobicContact CD1-CB 3.78Å; Y406-L437 HydrophobicContact CE1-CB 4.05Å; Y406-R438 VanDerWaalsContact O-CZ 3.26Å; Y406-R438 PolarHBondContact O-NE 3.41Å; Y406-R438 PolarHBondContact O-NH2 2.88Å; Y406-V441 HydrophobicContact CD1-CG2 4.21Å; Y406-V441 HydrophobicContact CE1-CG2 3.73Å; Y406-V441 HydrophobicContact CE2-CG2 4.36Å; Y406-E469 WeakPolarHBondContact OH-CG 3.44Å; Y406-E469 PolarHBondContact OH-OE1 3.37Å; Y406-T484 WeakPolarHBondContact OH-CG2 3.5Å
407	A	86.2	Confident	76.4	Confident	11 Å²	11	64.4 Å²	64.4	9%	0.091	36%	0.363	C	S	.	.			trans	-83.3	135.9	-179.6	0	0	0	0	0	111.4	W402 T403 L412	W402-A407 WeakPolarHBondContact O-CB 3.4Å; T403-A407 PolarHBondContact O-N 2.93Å; A407-L412 HydrophobicContact CB-CD1 3.96Å; A407-L412 HydrophobicContact CB-CD2 3.83Å; A407-L412 HydrophobicContact CB-CG 3.92Å
408	I	79	Confident	73.6	Confident	8 Å²	8	69.5 Å²	69.5	4%	0.041	40%	0.397	C	S	.	.			trans	-82.5	142.8	173	-57	172.1	0	0	0	108.7	Y410 E411 L412 D431 V434	I408-Y410 VanDerWaalsContact C-N 3.27Å; I408-Y410 HydrophobicContact CB-CD1 4.37Å; I408-Y410 HydrophobicContact CB-CE1 4.09Å; I408-Y410 HydrophobicContact CD1-CE1 4.34Å; I408-Y410 HydrophobicContact CG2-CD1 3.43Å; I408-Y410 VanDerWaalsContact CG2-CD1 3.43Å; I408-Y410 HydrophobicContact CG2-CE1 3.33Å; I408-Y410 HydrophobicContact CG2-CG 4.4Å; I408-Y410 PolarHBondContact O-N 3.2Å; I408-Y410 VanDerWaalsContact O-N 3.15Å; I408-E411 HydrophobicContact CB-CG 4.1Å; I408-E411 PolarHBondContact N-OE2 3.41Å; I408-E411 WeakPolarHBondContact O-CB 3.39Å; I408-E411 PolarHBondContact O-N 2.88Å; I408-L412 PolarHBondContact O-N 3.03Å; I408-D431 WeakPolarHBondContact CG2-OD1 3.33Å; I408-V434 HydrophobicContact CG1-CB 4.37Å; I408-V434 HydrophobicContact CG1-CG1 3.67Å
409	A	67.2	Low	71	Confident	71 Å²	71	73.1 Å²	73.1	59%	0.587	43%	0.434	S	S	*	.	H	α-helix	trans	-56.5	-36.2	-170.9	0	0	0	0	0	114.1	L412 S413	A409-L412 PolarHBondContact O-N 2.64Å; A409-S413 PolarHBondContact O-N 3.18Å
410	Y	66.1	Low	68.4	Low	145 Å²	145	78.1 Å²	78.1	57%	0.569	46%	0.457	S	S	*	.	H	α-helix	trans	-75.9	-24.7	178.5	72.4	-100.3	0	0	0	113.3	I408 L412 S413	I408-Y410 VanDerWaalsContact C-N 3.27Å; I408-Y410 HydrophobicContact CB-CD1 4.37Å; I408-Y410 HydrophobicContact CB-CE1 4.09Å; I408-Y410 HydrophobicContact CD1-CE1 4.34Å; I408-Y410 HydrophobicContact CG2-CD1 3.43Å; I408-Y410 VanDerWaalsContact CG2-CD1 3.43Å; I408-Y410 HydrophobicContact CG2-CE1 3.33Å; I408-Y410 HydrophobicContact CG2-CG 4.4Å; I408-Y410 PolarHBondContact O-N 3.2Å; I408-Y410 VanDerWaalsContact O-N 3.15Å; Y410-L412 PolarHBondContact O-N 3.39Å; Y410-S413 WeakPolarHBondContact CA-OG 3.48Å; Y410-S413 PolarHBondContact O-N 3.03Å; Y410-S413 PolarHBondContact O-OG 2.79Å
411	E	66.6	Low	65.8	Low	87 Å²	87	84.9 Å²	84.9	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-71.1	-22.5	175.1	-62.1	168.7	162.4	0	0	111.2	I408 R438	I408-E411 HydrophobicContact CB-CG 4.1Å; I408-E411 PolarHBondContact N-OE2 3.41Å; I408-E411 WeakPolarHBondContact O-CB 3.39Å; I408-E411 PolarHBondContact O-N 2.88Å; E411-R438 VanDerWaalsContact CD-NH2 3.34Å; E411-R438 IonicContact OE1-CZ 3.85Å; E411-R438 IonicContact OE1-NH1 3.24Å; E411-R438 PolarHBondContact OE1-NH1 3.31Å; E411-R438 IonicContact OE1-NH2 3.28Å; E411-R438 PolarHBondContact OE1-NH2 2.83Å; E411-R438 IonicContact OE2-CZ 2.85Å; E411-R438 IonicContact OE2-NH1 2.73Å; E411-R438 IonicContact OE2-NH2 2.73Å; E411-R438 PolarHBondContact OE2-NH2 3.11Å
412	L	62.1	Low	63.6	Low	113 Å²	113	86 Å²	86	59%	0.592	50%	0.5	S	S	*	.	H	α-helix	trans	-84.7	-22.3	175.6	-63.4	172.2	0	0	0	112.9	V404 A407 I408 A409 Y410	V404-L412 HydrophobicContact CG2-CD1 4.36Å; A407-L412 HydrophobicContact CB-CD1 3.96Å; A407-L412 HydrophobicContact CB-CD2 3.83Å; A407-L412 HydrophobicContact CB-CG 3.92Å; I408-L412 PolarHBondContact O-N 3.03Å; A409-L412 PolarHBondContact O-N 2.64Å; Y410-L412 PolarHBondContact O-N 3.39Å
413	S	57.4	Low	61.3	Low	60 Å²	60	91.3 Å²	91.3	42%	0.42	53%	0.527	S	S	.	.			trans	-88.9	123	-180	58.3	0	0	0	0	111.2	A409 Y410 E415	A409-S413 PolarHBondContact O-N 3.18Å; Y410-S413 WeakPolarHBondContact CA-OG 3.48Å; Y410-S413 PolarHBondContact O-N 3.03Å; Y410-S413 PolarHBondContact O-OG 2.79Å; S413-E415 PolarHBondContact O-N 3.36Å
414	T	51.6	Low	59.2	Low	149 Å²	149	96.2 Å²	96.2	91%	0.914	54%	0.542	S	S	*	.			trans	-77.3	-0.7	170.3	47.4	0	0	0	0	113.5
415	E	40	Very low	56.9	Low	153 Å²	153	98.3 Å²	98.3	72%	0.715	54%	0.543	S	S	*	.	S	Bend	trans	-98.4	132.8	-173.7	-66.9	-179.6	175.8	0	0	112	S413	S413-E415 PolarHBondContact O-N 3.36Å
416	S	41.6	Very low	54.6	Low	94 Å²	94	101.2 Å²	101.2	66%	0.657	56%	0.559	S	S	*	*			trans	-60.6	137	177.6	-178.3	0	0	0	0	111.4	V418	S416-V418 PolarHBondContact O-N 3.47Å
417	P	46.1	Very low	52.3	Low	107 Å²	107	109.1 Å²	109.1	70%	0.695	59%	0.594	S	S	*	*	S	Bend	trans	-75.4	25.5	-172.3	30.5	-35.7	0	0	0	115.3	G419	P417-G419 PolarHBondContact O-N 2.84Å
418	V	41.1	Very low	50.4	Low	135 Å²	135	114 Å²	114	82%	0.818	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	90.4	177.8	-173.6	0	0	0	0	109.1	S416	S416-V418 PolarHBondContact O-N 3.47Å
419	G	42	Very low	48.9	Very low	76 Å²	76	120.4 Å²	120.4	78%	0.784	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.6	22.5	170	0	0	0	0	0	117.5	P417	P417-G419 PolarHBondContact O-N 2.84Å
420	M	43.6	Very low	48.8	Very low	118 Å²	118	120.9 Å²	120.9	58%	0.581	64%	0.644	S	S	*	*			trans	-86.7	122.6	-173.9	-64.4	-138.3	-70.9	0	0	114.5	R424	M420-R424 WeakPolarHBondContact SD-CD 3.24Å; M420-R424 PolarHBondContact SD-NH1 3.4Å
421	E	42.7	Very low	49.4	Very low	146 Å²	146	116.9 Å²	116.9	68%	0.682	63%	0.632	S	S	*	*			trans	-59.3	152.3	174.1	-83.7	-75.4	151.5	0	0	114.4	E423 R424	E421-E423 VanDerWaalsContact C-N 3.26Å; E421-E423 PolarHBondContact O-N 2.99Å; E421-R424 PolarHBondContact O-N 2.92Å
422	P	47.9	Very low	50.1	Low	85 Å²	85	118.8 Å²	118.8	55%	0.552	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-61.4	-25.3	-176.5	-18.6	32.1	0	0	0	114.4	R424 K425	P422-R424 PolarHBondContact O-N 2.78Å; P422-K425 WeakPolarHBondContact O-CB 3.32Å; P422-K425 PolarHBondContact O-N 2.63Å
423	E	45.8	Very low	51.4	Low	168 Å²	168	116.6 Å²	116.6	79%	0.785	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-68.3	-16.9	-179.7	-66.5	-171.3	164.6	0	0	113.3	E421 K425 T426	E421-E423 VanDerWaalsContact C-N 3.26Å; E421-E423 PolarHBondContact O-N 2.99Å; E423-K425 VanDerWaalsContact C-N 3.29Å; E423-T426 PolarHBondContact O-N 3.19Å
424	R	46.8	Very low	52.9	Low	134 Å²	134	114.4 Å²	114.4	51%	0.506	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-75.4	-12.7	166.2	-88	-175.4	-174.1	179.1	3.8	113.2	M420 E421 P422 T426 K427 L428	M420-R424 WeakPolarHBondContact SD-CD 3.24Å; M420-R424 PolarHBondContact SD-NH1 3.4Å; E421-R424 PolarHBondContact O-N 2.92Å; P422-R424 PolarHBondContact O-N 2.78Å; R424-T426 PolarHBondContact O-N 3.33Å; R424-K427 HydrophobicContact CG-CD 4.33Å; R424-K427 WeakPolarHBondContact O-CA 3.35Å; R424-K427 WeakPolarHBondContact O-CB 3.31Å; R424-K427 PolarHBondContact O-N 2.82Å; R424-K427 VanDerWaalsContact O-N 3.1Å; R424-L428 PolarHBondContact O-N 2.81Å
425	K	38.3	Very low	54.7	Low	154 Å²	154	110.8 Å²	110.8	67%	0.67	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-63	-27.8	169.7	-72.2	-176.3	173.1	173.6	0	112.1	P422 E423 K427 L428	P422-K425 WeakPolarHBondContact O-CB 3.32Å; P422-K425 PolarHBondContact O-N 2.63Å; E423-K425 VanDerWaalsContact C-N 3.29Å; K425-K427 VanDerWaalsContact C-N 3.35Å; K425-L428 VanDerWaalsContact CA-CD1 3.43Å; K425-L428 HydrophobicContact CB-CD1 3.73Å; K425-L428 HydrophobicContact CG-CD1 3.86Å; K425-L428 WeakPolarHBondContact O-CB 3.32Å; K425-L428 VanDerWaalsContact O-CD1 3.22Å; K425-L428 WeakPolarHBondContact O-CD1 3.33Å; K425-L428 WeakPolarHBondContact O-CG 3.29Å; K425-L428 PolarHBondContact O-N 3.29Å; K425-L428 VanDerWaalsContact O-N 3.15Å
426	T	41.8	Very low	57.1	Low	111 Å²	111	110.3 Å²	110.3	68%	0.681	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-81.2	-19.3	176.4	-26	0	0	0	0	112.1	E423 R424 L428	E423-T426 PolarHBondContact O-N 3.19Å; R424-T426 PolarHBondContact O-N 3.33Å; T426-L428 PolarHBondContact O-N 3.36Å
427	K	44.8	Very low	59.5	Low	167 Å²	167	107.9 Å²	107.9	73%	0.726	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-75.8	-1	163.6	-79.6	-179.3	174.2	177.5	0	113.2	R424 K425 L429	R424-K427 HydrophobicContact CG-CD 4.33Å; R424-K427 WeakPolarHBondContact O-CA 3.35Å; R424-K427 WeakPolarHBondContact O-CB 3.31Å; R424-K427 PolarHBondContact O-N 2.82Å; R424-K427 VanDerWaalsContact O-N 3.1Å; K425-K427 VanDerWaalsContact C-N 3.35Å; K427-L429 PolarHBondContact O-N 3.08Å
428	L	45.1	Very low	61.8	Low	112 Å²	112	104.2 Å²	104.2	59%	0.586	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-71.9	0.3	171.2	-65	164.8	0	0	0	113.7	R424 K425 T426 N430	R424-L428 PolarHBondContact O-N 2.81Å; K425-L428 VanDerWaalsContact CA-CD1 3.43Å; K425-L428 HydrophobicContact CB-CD1 3.73Å; K425-L428 HydrophobicContact CG-CD1 3.86Å; K425-L428 WeakPolarHBondContact O-CB 3.32Å; K425-L428 VanDerWaalsContact O-CD1 3.22Å; K425-L428 WeakPolarHBondContact O-CD1 3.33Å; K425-L428 WeakPolarHBondContact O-CG 3.29Å; K425-L428 PolarHBondContact O-N 3.29Å; K425-L428 VanDerWaalsContact O-N 3.15Å; T426-L428 PolarHBondContact O-N 3.36Å; L428-N430 PolarHBondContact O-N 3.22Å
429	L	48	Very low	64.2	Low	143 Å²	143	101.5 Å²	101.5	75%	0.749	52%	0.521	S	S	*	.	S	Bend	trans	-61.9	86.5	158.4	-79.2	161.3	0	0	0	108.2	K427	K427-L429 PolarHBondContact O-N 3.08Å
430	N	65.4	Low	66.7	Low	81 Å²	81	101.5 Å²	101.5	43%	0.433	50%	0.503	S	S	.	.			trans	162.3	-1.2	132.7	-88.6	-13.8	0	0	0	117.7	L428 N432 V433 V434	L428-N430 PolarHBondContact O-N 3.22Å; N430-N432 PolarHBondContact O-N 3.2Å; N430-N432 VanDerWaalsContact O-N 3.11Å; N430-V433 HydrophobicContact CB-CB 4.07Å; N430-V433 CarbonylContact O-C 3.48Å; N430-V433 WeakPolarHBondContact O-CA 3.48Å; N430-V433 WeakPolarHBondContact O-CB 3.29Å; N430-V433 PolarHBondContact O-N 3.06Å; N430-V433 WeakPolarHBondContact OD1-CB 3.32Å; N430-V433 WeakPolarHBondContact OD1-CG2 3.36Å; N430-V434 HydrophobicContact CB-CG2 4.28Å; N430-V434 PolarHBondContact O-N 3.2Å
431	D	78.4	Confident	69.2	Low	61 Å²	61	96 Å²	96	33%	0.326	48%	0.476	S	S	.	.	H	α-helix	trans	-53.9	-41.9	-178.8	-71.5	2.3	0	0	0	112.4	I408 V433 V434 N435	I408-D431 WeakPolarHBondContact CG2-OD1 3.33Å; D431-V433 VanDerWaalsContact C-N 3.33Å; D431-V433 PolarHBondContact O-N 3.43Å; D431-V434 PolarHBondContact O-N 2.91Å; D431-N435 VanDerWaalsContact O-CB 3.26Å; D431-N435 WeakPolarHBondContact O-CB 3.47Å; D431-N435 PolarHBondContact O-N 3.28Å; D431-N435 PolarHBondContact O-ND2 2.89Å
432	N	82.7	Confident	71.7	Confident	128 Å²	128	89.5 Å²	89.5	68%	0.684	45%	0.446	S	S	*	.	H	α-helix	trans	-63.2	-35.4	173	-69.8	-22.9	0	0	0	113.3	N430 K436	N430-N432 PolarHBondContact O-N 3.2Å; N430-N432 VanDerWaalsContact O-N 3.11Å; N432-K436 WeakPolarHBondContact O-CB 3.17Å; N432-K436 VanDerWaalsContact O-CG 3.23Å; N432-K436 WeakPolarHBondContact O-CG 3.26Å; N432-K436 PolarHBondContact O-N 3.07Å
433	V	87.9	Confident	73.9	Confident	67 Å²	67	86.1 Å²	86.1	41%	0.406	42%	0.423	S	S	.	.	H	α-helix	trans	-72.6	-45.1	177.1	176.1	0	0	0	0	110.5	N430 D431 N435 K436 L437	N430-V433 HydrophobicContact CB-CB 4.07Å; N430-V433 CarbonylContact O-C 3.48Å; N430-V433 WeakPolarHBondContact O-CA 3.48Å; N430-V433 WeakPolarHBondContact O-CB 3.29Å; N430-V433 PolarHBondContact O-N 3.06Å; N430-V433 WeakPolarHBondContact OD1-CB 3.32Å; N430-V433 WeakPolarHBondContact OD1-CG2 3.36Å; D431-V433 VanDerWaalsContact C-N 3.33Å; D431-V433 PolarHBondContact O-N 3.43Å; V433-N435 VanDerWaalsContact C-N 3.34Å; V433-N435 PolarHBondContact O-N 3.45Å; V433-K436 CarbonylContact O-C 3.51Å; V433-K436 WeakPolarHBondContact O-CB 3.47Å; V433-K436 PolarHBondContact O-N 2.86Å; V433-K436 VanDerWaalsContact O-N 3.16Å; V433-L437 WeakPolarHBondContact O-CG 3.04Å; V433-L437 PolarHBondContact O-N 2.84Å
434	V	90	Very high	76.3	Confident	13 Å²	13	78.6 Å²	78.6	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-60.6	-44.5	175.3	174.6	0	0	0	0	110.3	Y406 I408 N430 D431 K436 L437 R438	Y406-V434 VanDerWaalsContact O-CG1 3.24Å; Y406-V434 WeakPolarHBondContact O-CG1 3.26Å; I408-V434 HydrophobicContact CG1-CB 4.37Å; I408-V434 HydrophobicContact CG1-CG1 3.67Å; N430-V434 HydrophobicContact CB-CG2 4.28Å; N430-V434 PolarHBondContact O-N 3.2Å; D431-V434 PolarHBondContact O-N 2.91Å; V434-K436 VanDerWaalsContact C-N 3.32Å; V434-K436 PolarHBondContact O-N 3.03Å; V434-L437 WeakPolarHBondContact O-CB 3.39Å; V434-L437 PolarHBondContact O-N 3.26Å; V434-L437 VanDerWaalsContact O-N 3.09Å; V434-R438 PolarHBondContact O-N 3.14Å
435	N	88.8	Confident	78.8	Confident	74 Å²	74	72.2 Å²	72.2	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-61.2	-40.3	175.1	-72.3	-23.3	0	0	0	111.7	D431 V433 R438 H439	D431-N435 VanDerWaalsContact O-CB 3.26Å; D431-N435 WeakPolarHBondContact O-CB 3.47Å; D431-N435 PolarHBondContact O-N 3.28Å; D431-N435 PolarHBondContact O-ND2 2.89Å; V433-N435 VanDerWaalsContact C-N 3.34Å; V433-N435 PolarHBondContact O-N 3.45Å; N435-R438 PolarHBondContact O-N 3.32Å; N435-H439 VanDerWaalsContact O-CB 3.26Å; N435-H439 WeakPolarHBondContact O-CB 3.14Å; N435-H439 PolarHBondContact O-N 3.16Å
436	K	89.7	Confident	81.5	Confident	143 Å²	143	65.3 Å²	65.3	62%	0.622	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-40.6	171.7	-76.8	174	-179.6	-173	0	112.3	N432 V433 V434 H439 N440	N432-K436 WeakPolarHBondContact O-CB 3.17Å; N432-K436 VanDerWaalsContact O-CG 3.23Å; N432-K436 WeakPolarHBondContact O-CG 3.26Å; N432-K436 PolarHBondContact O-N 3.07Å; V433-K436 CarbonylContact O-C 3.51Å; V433-K436 WeakPolarHBondContact O-CB 3.47Å; V433-K436 PolarHBondContact O-N 2.86Å; V433-K436 VanDerWaalsContact O-N 3.16Å; V434-K436 VanDerWaalsContact C-N 3.32Å; V434-K436 PolarHBondContact O-N 3.03Å; K436-H439 PolarHBondContact O-N 3.33Å; K436-N440 WeakPolarHBondContact O-CB 3.2Å; K436-N440 PolarHBondContact O-N 3.18Å; K436-N440 PolarHBondContact O-ND2 2.92Å
437	L	92.9	Very high	84.1	Confident	43 Å²	43	63.6 Å²	63.6	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-45.5	176.4	-67.8	174.5	0	0	0	111.8	P405 Y406 V433 V434 H439 N440 V441	P405-L437 HydrophobicContact CB-CD1 4.36Å; Y406-L437 HydrophobicContact CD1-CB 3.78Å; Y406-L437 HydrophobicContact CE1-CB 4.05Å; V433-L437 WeakPolarHBondContact O-CG 3.04Å; V433-L437 PolarHBondContact O-N 2.84Å; V434-L437 WeakPolarHBondContact O-CB 3.39Å; V434-L437 PolarHBondContact O-N 3.26Å; V434-L437 VanDerWaalsContact O-N 3.09Å; L437-H439 PolarHBondContact O-N 3.39Å; L437-N440 WeakPolarHBondContact O-CB 3.4Å; L437-N440 PolarHBondContact O-N 3.4Å; L437-V441 WeakPolarHBondContact O-CG2 3.21Å; L437-V441 PolarHBondContact O-N 3.29Å
438	R	94	Very high	86.6	Confident	29 Å²	29	56 Å²	56	11%	0.109	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-47.9	173.8	-73.1	-177.8	178.2	-175.2	-4.5	111.3	W402 Y406 E411 V434 N435 N440 V441 L442	W402-R438 HydrophobicContact CD2-CG 4.02Å; W402-R438 HydrophobicContact CE3-CG 4.13Å; W402-R438 HydrophobicContact CH2-CB 4.3Å; W402-R438 HydrophobicContact CH2-CG 4.26Å; W402-R438 HydrophobicContact CZ2-CB 4.32Å; W402-R438 HydrophobicContact CZ2-CG 4.17Å; W402-R438 HydrophobicContact CZ3-CG 4.25Å; Y406-R438 VanDerWaalsContact O-CZ 3.26Å; Y406-R438 PolarHBondContact O-NE 3.41Å; Y406-R438 PolarHBondContact O-NH2 2.88Å; E411-R438 VanDerWaalsContact CD-NH2 3.34Å; E411-R438 IonicContact OE1-CZ 3.85Å; E411-R438 IonicContact OE1-NH1 3.24Å; E411-R438 PolarHBondContact OE1-NH1 3.31Å; E411-R438 IonicContact OE1-NH2 3.28Å; E411-R438 PolarHBondContact OE1-NH2 2.83Å; E411-R438 IonicContact OE2-CZ 2.85Å; E411-R438 IonicContact OE2-NH1 2.73Å; E411-R438 IonicContact OE2-NH2 2.73Å; E411-R438 PolarHBondContact OE2-NH2 3.11Å; V434-R438 PolarHBondContact O-N 3.14Å; N435-R438 PolarHBondContact O-N 3.32Å; R438-N440 VanDerWaalsContact C-N 3.29Å; R438-N440 PolarHBondContact O-N 2.98Å; R438-V441 PolarHBondContact O-N 3.18Å; R438-V441 VanDerWaalsContact O-N 3.16Å; R438-L442 PolarHBondContact O-N 3.25Å
439	H	92	Very high	89	Confident	78 Å²	78	51.7 Å²	51.7	36%	0.361	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-42.9	176.2	178.7	84.6	0	0	0	111.4	N435 K436 L437 V441 L442 L443	N435-H439 VanDerWaalsContact O-CB 3.26Å; N435-H439 WeakPolarHBondContact O-CB 3.14Å; N435-H439 PolarHBondContact O-N 3.16Å; K436-H439 PolarHBondContact O-N 3.33Å; L437-H439 PolarHBondContact O-N 3.39Å; H439-V441 PolarHBondContact O-N 3.06Å; H439-L442 PolarHBondContact O-N 2.93Å; H439-L443 VanDerWaalsContact O-CB 3.25Å; H439-L443 WeakPolarHBondContact O-CB 3.43Å; H439-L443 PolarHBondContact O-N 3.12Å
440	N	93.5	Very high	91.3	Very high	77 Å²	77	48 Å²	48	41%	0.412	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-38.5	176.6	-72.5	-19.4	0	0	0	113.2	K436 L437 R438 S444	K436-N440 WeakPolarHBondContact O-CB 3.2Å; K436-N440 PolarHBondContact O-N 3.18Å; K436-N440 PolarHBondContact O-ND2 2.92Å; L437-N440 WeakPolarHBondContact O-CB 3.4Å; L437-N440 PolarHBondContact O-N 3.4Å; R438-N440 VanDerWaalsContact C-N 3.29Å; R438-N440 PolarHBondContact O-N 2.98Å; N440-S444 VanDerWaalsContact O-CB 3.25Å; N440-S444 WeakPolarHBondContact O-CB 3.44Å; N440-S444 PolarHBondContact O-N 3.14Å; N440-S444 PolarHBondContact O-OG 3.16Å
441	V	96.3	Very high	92.7	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-51.4	173.8	173.6	0	0	0	0	110.2	W402 Y406 L437 R438 H439 L443 S444 Y445 F471	W402-V441 HydrophobicContact CH2-CB 4.18Å; W402-V441 HydrophobicContact CH2-CG1 4.02Å; W402-V441 HydrophobicContact CZ3-CB 4.16Å; W402-V441 HydrophobicContact CZ3-CG1 4Å; W402-V441 HydrophobicContact CZ3-CG2 4.38Å; Y406-V441 HydrophobicContact CD1-CG2 4.21Å; Y406-V441 HydrophobicContact CE1-CG2 3.73Å; Y406-V441 HydrophobicContact CE2-CG2 4.36Å; L437-V441 WeakPolarHBondContact O-CG2 3.21Å; L437-V441 PolarHBondContact O-N 3.29Å; R438-V441 PolarHBondContact O-N 3.18Å; R438-V441 VanDerWaalsContact O-N 3.16Å; H439-V441 PolarHBondContact O-N 3.06Å; V441-L443 PolarHBondContact O-N 3.31Å; V441-S444 PolarHBondContact O-N 3.44Å; V441-Y445 HydrophobicContact CG1-CD2 4.4Å; V441-Y445 HydrophobicContact CG1-CE1 4.04Å; V441-Y445 HydrophobicContact CG1-CE2 3.92Å; V441-Y445 PolarHBondContact O-N 3.37Å; V441-F471 HydrophobicContact CG2-CE1 4.18Å
442	L	95.5	Very high	93.5	Very high	11 Å²	11	49 Å²	49	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-49.8	177.8	-82.3	151.6	0	0	0	111.7	F225 W402 R438 H439 S444 Y445 K446	F225-L442 HydrophobicContact CD1-CD2 3.67Å; F225-L442 HydrophobicContact CE1-CD2 3.38Å; F225-L442 HydrophobicContact CE1-CG 3.96Å; F225-L442 HydrophobicContact CG-CD2 4.38Å; F225-L442 HydrophobicContact CZ-CD2 3.9Å; F225-L442 HydrophobicContact CZ-CG 4.26Å; W402-L442 HydrophobicContact CZ2-CD1 4.45Å; R438-L442 PolarHBondContact O-N 3.25Å; H439-L442 PolarHBondContact O-N 2.93Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.36Å; L442-Y445 PolarHBondContact O-N 3.08Å; L442-K446 VanDerWaalsContact O-CG 3.29Å; L442-K446 WeakPolarHBondContact O-CG 3.27Å; L442-K446 PolarHBondContact O-N 3.17Å
443	L	94.4	Very high	94.1	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-39.6	178	-179.9	57.6	0	0	0	111.8	E166 H439 V441 K446 R447	E166-L443 WeakPolarHBondContact OE2-CD1 3.43Å; H439-L443 VanDerWaalsContact O-CB 3.25Å; H439-L443 WeakPolarHBondContact O-CB 3.43Å; H439-L443 PolarHBondContact O-N 3.12Å; V441-L443 PolarHBondContact O-N 3.31Å; L443-K446 PolarHBondContact O-N 2.83Å; L443-R447 WeakPolarHBondContact O-CG 3.39Å; L443-R447 PolarHBondContact O-N 3.39Å
444	S	96.6	Very high	94.3	Very high	11 Å²	11	45.5 Å²	45.5	8%	0.077	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-41.3	175.6	-63.5	0	0	0	0	111.7	N440 V441 L442 R447 L448	N440-S444 VanDerWaalsContact O-CB 3.25Å; N440-S444 WeakPolarHBondContact O-CB 3.44Å; N440-S444 PolarHBondContact O-N 3.14Å; N440-S444 PolarHBondContact O-OG 3.16Å; V441-S444 PolarHBondContact O-N 3.44Å; L442-S444 VanDerWaalsContact C-N 3.31Å; L442-S444 PolarHBondContact O-N 3.36Å; S444-R447 PolarHBondContact O-N 2.84Å; S444-L448 VanDerWaalsContact O-CG 3.32Å; S444-L448 WeakPolarHBondContact O-CG 3.41Å; S444-L448 PolarHBondContact O-N 3.22Å
445	Y	98	Very high	94.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-41.9	175.1	-70.2	2.7	0	0	0	112.1	F225 H386 V388 V441 L442 R447 L448 H449 F471 Y482 A483 T484	F225-Y445 HydrophobicContact CD1-CD2 4.26Å; F225-Y445 AromaticContact CE1-CD2 3.79Å; F225-Y445 HydrophobicContact CE1-CD2 3.79Å; F225-Y445 HydrophobicContact CE1-CE2 4.14Å; H386-Y445 AromaticContact CE1-CE2 3.87Å; H386-Y445 AromaticContact ND1-CE2 3.53Å; H386-Y445 AromaticContact ND1-CZ 3.71Å; H386-Y445 PolarHBondContact ND1-OH 3.27Å; H386-Y445 PolarHBondContact O-OH 3.35Å; V388-Y445 HydrophobicContact CB-CE2 4.39Å; V388-Y445 HydrophobicContact CG2-CD2 4.09Å; V388-Y445 HydrophobicContact CG2-CE2 3.75Å; V441-Y445 HydrophobicContact CG1-CD2 4.4Å; V441-Y445 HydrophobicContact CG1-CE1 4.04Å; V441-Y445 HydrophobicContact CG1-CE2 3.92Å; V441-Y445 PolarHBondContact O-N 3.37Å; L442-Y445 PolarHBondContact O-N 3.08Å; Y445-R447 VanDerWaalsContact C-N 3.3Å; Y445-R447 PolarHBondContact O-N 2.93Å; Y445-L448 HydrophobicContact CD1-CD1 4.37Å; Y445-L448 PolarHBondContact O-N 3.06Å; Y445-H449 VanDerWaalsContact O-CB 3.28Å; Y445-H449 WeakPolarHBondContact O-CB 3.19Å; Y445-H449 PolarHBondContact O-N 2.78Å; Y445-F471 HydrophobicContact CE1-CD1 4.1Å; Y445-Y482 HydrophobicContact CG-CG 4.36Å; Y445-A483 VanDerWaalsContact OH-C 3.23Å; Y445-A483 VanDerWaalsContact OH-CA 3.29Å; Y445-A483 WeakPolarHBondContact OH-CA 3.45Å; Y445-T484 WeakPolarHBondContact CE1-OG1 3.44Å; Y445-T484 PolarHBondContact OH-N 3.2Å; Y445-T484 PolarHBondContact OH-OG1 2.84Å
446	K	96.3	Very high	94.3	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-40.5	174.7	-70.2	167.7	-176.1	-174.4	0	111.8	P167 H170 V221 E222 F228 L442 L443 H449 M450	P167-K446 HydrophobicContact CG-CB 4.23Å; H170-K446 VanDerWaalsContact CE1-CE 3.45Å; H170-K446 WeakPolarHBondContact CE1-CE 3.43Å; H170-K446 PolarHBondContact CE1-NZ 3.31Å; H170-K446 WeakPolarHBondContact NE2-CE 3.31Å; H170-K446 PolarHBondContact NE2-NZ 3.36Å; V221-K446 PolarHBondContact O-NZ 3.34Å; E222-K446 PolarHBondContact O-NZ 2.84Å; F228-K446 HydrophobicContact CB-CG 4.49Å; F228-K446 HydrophobicContact CD1-CG 3.9Å; F228-K446 HydrophobicContact CE1-CG 4.19Å; F228-K446 HydrophobicContact CG-CG 4.08Å; L442-K446 VanDerWaalsContact O-CG 3.29Å; L442-K446 WeakPolarHBondContact O-CG 3.27Å; L442-K446 PolarHBondContact O-N 3.17Å; L443-K446 PolarHBondContact O-N 2.83Å; K446-H449 PolarHBondContact O-N 3.38Å; K446-M450 WeakPolarHBondContact O-CB 3.45Å; K446-M450 PolarHBondContact O-N 2.78Å
447	R	95.6	Very high	94.2	Very high	74 Å²	74	51.1 Å²	51.1	28%	0.279	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-43.6	174.8	-74.3	171.5	177.3	160.3	-0.6	112.7	S165 P167 L443 S444 Y445 H449 R451	S165-R447 PolarHBondContact O-NE 3.03Å; S165-R447 PolarHBondContact O-NH2 2.8Å; S165-R447 PolarHBondContact OG-NH2 2.94Å; P167-R447 HydrophobicContact CG-CG 3.69Å; L443-R447 WeakPolarHBondContact O-CG 3.39Å; L443-R447 PolarHBondContact O-N 3.39Å; S444-R447 PolarHBondContact O-N 2.84Å; Y445-R447 VanDerWaalsContact C-N 3.3Å; Y445-R447 PolarHBondContact O-N 2.93Å; R447-H449 VanDerWaalsContact C-N 3.33Å; R447-R451 WeakPolarHBondContact O-CG 3.35Å; R447-R451 PolarHBondContact O-N 2.81Å; R447-R451 VanDerWaalsContact O-N 3.16Å
448	L	97.2	Very high	94.1	Very high	9 Å²	9	54.7 Å²	54.7	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-44.1	174.5	-71.9	167.6	0	0	0	110.8	S444 Y445 R451 L452 I462 F471 Y482	S444-L448 VanDerWaalsContact O-CG 3.32Å; S444-L448 WeakPolarHBondContact O-CG 3.41Å; S444-L448 PolarHBondContact O-N 3.22Å; Y445-L448 HydrophobicContact CD1-CD1 4.37Å; Y445-L448 PolarHBondContact O-N 3.06Å; L448-R451 PolarHBondContact O-N 2.95Å; L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 VanDerWaalsContact O-CG 3.27Å; L448-L452 WeakPolarHBondContact O-CG 3.33Å; L448-L452 PolarHBondContact O-N 2.77Å; L448-I462 HydrophobicContact CD2-CB 3.86Å; L448-I462 HydrophobicContact CD2-CG2 3.61Å; L448-F471 HydrophobicContact CD1-CB 3.91Å; L448-Y482 HydrophobicContact CB-CD1 4.01Å; L448-Y482 HydrophobicContact CB-CE1 3.93Å; L448-Y482 HydrophobicContact CD1-CD1 4.46Å
449	H	96.8	Very high	94.1	Very high	21 Å²	21	55.3 Å²	55.3	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-53.1	176.1	178.2	-83.8	0	0	0	111.5	F228 Y445 K446 R447 R451 L452 H453 E480 Y482	F228-H449 HydrophobicContact CD2-CB 3.99Å; F228-H449 AromaticContact CD2-CD2 3.79Å; F228-H449 AromaticContact CD2-CG 3.74Å; F228-H449 HydrophobicContact CE2-CB 3.97Å; F228-H449 PolarHBondContact O-CE1 2.8Å; F228-H449 VanDerWaalsContact O-CE1 3.28Å; F228-H449 PolarHBondContact O-NE2 3.01Å; Y445-H449 VanDerWaalsContact O-CB 3.28Å; Y445-H449 WeakPolarHBondContact O-CB 3.19Å; Y445-H449 PolarHBondContact O-N 2.78Å; K446-H449 PolarHBondContact O-N 3.38Å; R447-H449 VanDerWaalsContact C-N 3.33Å; H449-R451 VanDerWaalsContact C-N 3.25Å; H449-R451 PolarHBondContact O-N 2.93Å; H449-L452 PolarHBondContact O-N 3.16Å; H449-L452 VanDerWaalsContact O-N 3.17Å; H449-H453 AromaticContact CD2-CD2 3.38Å; H449-H453 PolarHBondContact CD2-CD2 2.97Å; H449-H453 AromaticContact CD2-NE2 3.4Å; H449-H453 PolarHBondContact CD2-NE2 3.45Å; H449-H453 AromaticContact CE1-CD2 3.52Å; H449-H453 AromaticContact CE1-NE2 3.87Å; H449-H453 AromaticContact CG-CD2 3.71Å; H449-H453 AromaticContact ND1-CD2 3.78Å; H449-H453 AromaticContact NE2-CD2 3.26Å; H449-H453 PolarHBondContact NE2-CD2 3.47Å; H449-H453 VanDerWaalsContact NE2-CD2 3.26Å; H449-H453 AromaticContact NE2-CE1 4Å; H449-H453 AromaticContact NE2-NE2 3.17Å; H449-H453 PolarHBondContact NE2-NE2 2.81Å; H449-H453 VanDerWaalsContact NE2-NE2 3.17Å; H449-H453 WeakPolarHBondContact O-CB 3.42Å; H449-H453 PolarHBondContact O-CD2 3.2Å; H449-H453 VanDerWaalsContact O-CD2 3.23Å; H449-H453 PolarHBondContact O-N 2.89Å; H449-E480 IonicContact CD2-OE2 2.91Å; H449-E480 IonicContact NE2-OE2 3.97Å; H449-Y482 WeakPolarHBondContact CA-OH 3.48Å; H449-Y482 HydrophobicContact CB-CE1 4.1Å; H449-Y482 PolarHBondContact CD2-OH 3.28Å; H449-Y482 VanDerWaalsContact CD2-OH 3.27Å
450	M	94.5	Very high	94.3	Very high	66 Å²	66	59.8 Å²	59.8	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-50.1	-46.1	175.4	177.1	-153.3	-122.1	0	0	112.2	P167 S169 K446 S454	P167-M450 VanDerWaalsContact CA-CE 3.44Å; P167-M450 HydrophobicContact CB-CB 4.21Å; P167-M450 HydrophobicContact CB-CE 3.53Å; P167-M450 HydrophobicContact CB-CG 4.37Å; P167-M450 HydrophobicContact CB-SD 3.91Å; S169-M450 WeakPolarHBondContact OG-CG 3.46Å; K446-M450 WeakPolarHBondContact O-CB 3.45Å; K446-M450 PolarHBondContact O-N 2.78Å; M450-S454 PolarHBondContact O-N 3.33Å
451	R	95.1	Very high	94.4	Very high	158 Å²	158	58.8 Å²	58.8	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-71.2	-39.4	-178.4	-67.6	176.8	67.8	102.1	1.8	112.8	R447 L448 H449 H453 S454 I462	R447-R451 WeakPolarHBondContact O-CG 3.35Å; R447-R451 PolarHBondContact O-N 2.81Å; R447-R451 VanDerWaalsContact O-N 3.16Å; L448-R451 PolarHBondContact O-N 2.95Å; H449-R451 VanDerWaalsContact C-N 3.25Å; H449-R451 PolarHBondContact O-N 2.93Å; R451-H453 VanDerWaalsContact C-N 3.28Å; R451-H453 PolarHBondContact O-N 2.76Å; R451-S454 PolarHBondContact O-N 3.45Å; R451-I462 HydrophobicContact CB-CD1 3.38Å; R451-I462 HydrophobicContact CG-CD1 4.45Å
452	L	96.1	Very high	94.5	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-25	177.8	-71.4	170.6	0	0	0	113.1	L448 H449 T459 I462 K475 Y482	L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 VanDerWaalsContact O-CG 3.27Å; L448-L452 WeakPolarHBondContact O-CG 3.33Å; L448-L452 PolarHBondContact O-N 2.77Å; H449-L452 PolarHBondContact O-N 3.16Å; H449-L452 VanDerWaalsContact O-N 3.17Å; L452-T459 HydrophobicContact CD2-CG2 4.28Å; L452-T459 VanDerWaalsContact CD2-O 3.29Å; L452-T459 WeakPolarHBondContact CD2-O 3.47Å; L452-I462 HydrophobicContact CD2-CD1 3.99Å; L452-I462 HydrophobicContact CD2-CG1 3.92Å; L452-I462 HydrophobicContact CG-CD1 4.11Å; L452-I462 HydrophobicContact CG-CG1 4.45Å; L452-K475 HydrophobicContact CB-CB 4.32Å; L452-K475 HydrophobicContact CB-CD 4.33Å; L452-K475 HydrophobicContact CD1-CB 4.32Å; L452-K475 HydrophobicContact CD2-CB 4.38Å; L452-Y482 HydrophobicContact CD1-CE1 3.77Å
453	H	94.4	Very high	94.5	Very high	75 Å²	75	64.8 Å²	64.8	35%	0.347	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7.3	178.1	-72.3	-87.2	0	0	0	113.5	H449 R451 S455 K475 E480	H449-H453 AromaticContact CD2-CD2 3.38Å; H449-H453 PolarHBondContact CD2-CD2 2.97Å; H449-H453 AromaticContact CD2-NE2 3.4Å; H449-H453 PolarHBondContact CD2-NE2 3.45Å; H449-H453 AromaticContact CE1-CD2 3.52Å; H449-H453 AromaticContact CE1-NE2 3.87Å; H449-H453 AromaticContact CG-CD2 3.71Å; H449-H453 AromaticContact ND1-CD2 3.78Å; H449-H453 AromaticContact NE2-CD2 3.26Å; H449-H453 PolarHBondContact NE2-CD2 3.47Å; H449-H453 VanDerWaalsContact NE2-CD2 3.26Å; H449-H453 AromaticContact NE2-CE1 4Å; H449-H453 AromaticContact NE2-NE2 3.17Å; H449-H453 PolarHBondContact NE2-NE2 2.81Å; H449-H453 VanDerWaalsContact NE2-NE2 3.17Å; H449-H453 WeakPolarHBondContact O-CB 3.42Å; H449-H453 PolarHBondContact O-CD2 3.2Å; H449-H453 VanDerWaalsContact O-CD2 3.23Å; H449-H453 PolarHBondContact O-N 2.89Å; R451-H453 VanDerWaalsContact C-N 3.28Å; R451-H453 PolarHBondContact O-N 2.76Å; H453-S455 PolarHBondContact O-N 2.7Å; H453-K475 WeakPolarHBondContact CE1-CE 3.4Å; H453-K475 WeakPolarHBondContact ND1-CE 3.42Å; H453-E480 IonicContact CD2-OE2 3.88Å; H453-E480 IonicContact CE1-OE1 2.64Å; H453-E480 PolarHBondContact CE1-OE1 2.75Å; H453-E480 VanDerWaalsContact CE1-OE1 3.24Å; H453-E480 IonicContact CE1-OE2 2.7Å; H453-E480 IonicContact NE2-OE1 2.77Å; H453-E480 PolarHBondContact NE2-OE1 3.25Å; H453-E480 IonicContact NE2-OE2 3.86Å; H453-E480 PolarHBondContact NE2-OE2 2.85Å
454	S	92.4	Very high	94.6	Very high	46 Å²	46	68.9 Å²	68.9	32%	0.322	34%	0.342	S	S	.	.			trans	-67.3	124.6	171.9	-175.7	0	0	0	0	110.3	M450 R451 V456	M450-S454 PolarHBondContact O-N 3.33Å; R451-S454 PolarHBondContact O-N 3.45Å; S454-V456 VanDerWaalsContact C-N 3.25Å; S454-V456 PolarHBondContact O-N 2.88Å; S454-V456 PolarHBondContact OG-N 3.21Å
455	S	88.3	Confident	94.6	Very high	115 Å²	115	72 Å²	72	80%	0.804	36%	0.36	S	S	*	.	S	Bend	trans	-72.6	-19.8	172.7	53.6	0	0	0	0	113	H453	H453-S455 PolarHBondContact O-N 2.7Å
456	V	90.7	Very high	94.4	Very high	120 Å²	120	73.9 Å²	73.9	73%	0.727	37%	0.372	S	S	*	.	S	Bend	trans	-72.3	-42.2	-177.3	-175	0	0	0	0	111.1	S454	S454-V456 VanDerWaalsContact C-N 3.25Å; S454-V456 PolarHBondContact O-N 2.88Å; S454-V456 PolarHBondContact OG-N 3.21Å
457	I	88	Confident	94.3	Very high	114 Å²	114	78.9 Å²	78.9	59%	0.585	41%	0.408	S	S	*	.	S	Bend	trans	-129.4	94.8	179.4	-53.3	178.9	0	0	0	108.8	T459	I457-T459 PolarHBondContact O-N 2.76Å; I457-T459 PolarHBondContact O-OG1 3.05Å
458	P	89.8	Confident	94.2	Very high	118 Å²	118	78.8 Å²	78.8	77%	0.766	42%	0.416	S	S	*	.			trans	-58.9	102.3	178.1	-24.2	34.2	0	0	0	111.3
459	T	94.5	Very high	94.1	Very high	41 Å²	41	79 Å²	79	25%	0.252	42%	0.416	S	S	.	.			trans	-117.5	126.7	-176.1	-52.4	0	0	0	0	110	L452 I457 F461 I462	L452-T459 HydrophobicContact CD2-CG2 4.28Å; L452-T459 VanDerWaalsContact CD2-O 3.29Å; L452-T459 WeakPolarHBondContact CD2-O 3.47Å; I457-T459 PolarHBondContact O-N 2.76Å; I457-T459 PolarHBondContact O-OG1 3.05Å; T459-F461 WeakPolarHBondContact CG2-O 3.41Å; T459-I462 HydrophobicContact CG2-CD1 3.74Å; T459-I462 HydrophobicContact CG2-CG1 3.4Å
460	R	95.5	Very high	94.2	Very high	172 Å²	172	78 Å²	78	65%	0.649	41%	0.412	S	S	*	.	S	Bend	trans	-95.8	-25.9	178.8	-69.1	-176.4	173.6	-179.6	-5.2	113.3	W474 K475	R460-W474 CarbonylContact O-C 3.52Å; R460-W474 WeakPolarHBondContact O-CA 3.44Å; R460-K475 PolarHBondContact O-N 2.61Å
461	F	97.3	Very high	94.4	Very high	57 Å²	57	75.1 Å²	75.1	25%	0.25	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	134	-176.3	-176.8	-104.3	0	0	0	111.1	T459 Y463 F472 G473 W474 L494 R498	T459-F461 WeakPolarHBondContact CG2-O 3.41Å; F461-Y463 AromaticContact CE1-CD1 3.84Å; F461-Y463 HydrophobicContact CE1-CD1 3.84Å; F461-F472 HydrophobicContact CE2-CB 3.96Å; F461-F472 AromaticContact CE2-CD2 3.72Å; F461-F472 HydrophobicContact CE2-CD2 3.72Å; F461-F472 HydrophobicContact CE2-CG 4.05Å; F461-F472 HydrophobicContact CZ-CB 3.98Å; F461-F472 HydrophobicContact CZ-CD2 4.46Å; F461-F472 HydrophobicContact CZ-CG 4.35Å; F461-G473 WeakPolarHBondContact CA-O 3.27Å; F461-G473 WeakPolarHBondContact CD2-O 3.15Å; F461-W474 HydrophobicContact CD2-CB 3.81Å; F461-W474 HydrophobicContact CD2-CG 4.07Å; F461-W474 HydrophobicContact CE2-CB 4.31Å; F461-L494 HydrophobicContact CE1-CD2 4.35Å; F461-L494 HydrophobicContact CZ-CD2 4Å; F461-L494 HydrophobicContact CZ-CG 4.33Å; F461-R498 VanDerWaalsContact CE2-CD 3.42Å; F461-R498 HydrophobicContact CE2-CG 4.46Å; F461-R498 VanDerWaalsContact CE2-NH1 3.35Å
462	I	96.9	Very high	94.5	Very high	25 Å²	25	67.6 Å²	67.6	13%	0.128	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.4	176.5	-56.3	175.2	0	0	0	107.6	L448 R451 L452 T459 F472 G473	L448-I462 HydrophobicContact CD2-CB 3.86Å; L448-I462 HydrophobicContact CD2-CG2 3.61Å; R451-I462 HydrophobicContact CB-CD1 3.38Å; R451-I462 HydrophobicContact CG-CD1 4.45Å; L452-I462 HydrophobicContact CD2-CD1 3.99Å; L452-I462 HydrophobicContact CD2-CG1 3.92Å; L452-I462 HydrophobicContact CG-CD1 4.11Å; L452-I462 HydrophobicContact CG-CG1 4.45Å; T459-I462 HydrophobicContact CG2-CD1 3.74Å; T459-I462 HydrophobicContact CG2-CG1 3.4Å; I462-F472 CarbonylContact O-C 3.55Å; I462-F472 VanDerWaalsContact O-CA 3.24Å; I462-F472 WeakPolarHBondContact O-CA 3.48Å; I462-F472 WeakPolarHBondContact O-CB 3.36Å; I462-G473 PolarHBondContact N-O 3.09Å; I462-G473 PolarHBondContact O-N 3.31Å
463	Y	97.1	Very high	94.6	Very high	112 Å²	112	67.4 Å²	67.4	44%	0.439	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156	164.6	73.3	-80.7	0	0	0	110.5	F461 V465 L470 F471 L494	F461-Y463 AromaticContact CE1-CD1 3.84Å; F461-Y463 HydrophobicContact CE1-CD1 3.84Å; Y463-V465 HydrophobicContact CD2-CG2 4.07Å; Y463-V465 HydrophobicContact CE2-CG2 4.1Å; Y463-L470 HydrophobicContact CD2-CD1 4.47Å; Y463-F471 CarbonylContact C-O 3.42Å; Y463-F471 WeakPolarHBondContact CA-O 3.5Å; Y463-F471 WeakPolarHBondContact CB-O 3.48Å; Y463-L494 HydrophobicContact CD1-CD2 4.25Å; Y463-L494 HydrophobicContact CD2-CD2 4.33Å; Y463-L494 HydrophobicContact CG-CD2 3.97Å
464	K	95.8	Very high	94.8	Very high	99 Å²	99	65.8 Å²	65.8	43%	0.43	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.1	178.7	178.2	-174.3	176.4	-171.8	0	108.2	L470 F471	K464-L470 CarbonylContact O-C 3.59Å; K464-L470 WeakPolarHBondContact O-CA 3.31Å; K464-F471 PolarHBondContact N-O 3.37Å; K464-F471 PolarHBondContact O-N 3.27Å
465	V	96	Very high	95.1	Very high	76 Å²	76	66.2 Å²	66.2	46%	0.461	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.2	173.7	-173.3	0	0	0	0	108.7	Y463 L470	Y463-V465 HydrophobicContact CD2-CG2 4.07Å; Y463-V465 HydrophobicContact CE2-CG2 4.1Å; V465-L470 HydrophobicContact CG2-CD1 3.88Å; V465-L470 HydrophobicContact CG2-CG 3.99Å
466	T	94.9	Very high	95.5	Very high	41 Å²	41	62.3 Å²	62.3	25%	0.252	33%	0.327	S	S	.	.			trans	-116.5	179.9	167.9	69.6	0	0	0	0	108.9	T468 E469 F471	T466-T468 PolarHBondContact O-N 3.41Å; T466-T468 PolarHBondContact OG1-N 2.8Å; T466-T468 PolarHBondContact OG1-OG1 2.93Å; T466-E469 PolarHBondContact N-O 2.98Å; T466-E469 PolarHBondContact OG1-N 2.82Å; T466-E469 PolarHBondContact OG1-O 3.01Å; T466-E469 VanDerWaalsContact OG1-O 3.07Å; T466-F471 HydrophobicContact CG2-CD2 4.38Å; T466-F471 HydrophobicContact CG2-CE2 3.97Å
467	S	93.8	Very high	95.7	Very high	114 Å²	114	62.4 Å²	62.4	80%	0.797	32%	0.323	S	S	*	.	S	Bend	trans	-65.7	-19	173.1	48.8	0	0	0	0	113.5
468	T	92.8	Very high	96.2	Very high	71 Å²	71	62.1 Å²	62.1	44%	0.436	32%	0.323	S	S	.	.	S	Bend	trans	-119.5	-23.6	-169.5	44.7	0	0	0	0	114.1	R385 T466	R385-T468 PolarHBondContact NH1-O 3.3Å; T466-T468 PolarHBondContact O-N 3.41Å; T466-T468 PolarHBondContact OG1-N 2.8Å; T466-T468 PolarHBondContact OG1-OG1 2.93Å
469	E	96.5	Very high	96.5	Very high	13 Å²	13	57.3 Å²	57.3	6%	0.061	29%	0.29	C	S	.	.			trans	-148.3	159.1	-177	-69	88.5	-170.9	0	0	112.6	R385 Y406 T466 F471 T484 L485	R385-E469 IonicContact NH1-OE1 3.81Å; Y406-E469 WeakPolarHBondContact OH-CG 3.44Å; Y406-E469 PolarHBondContact OH-OE1 3.37Å; T466-E469 PolarHBondContact N-O 2.98Å; T466-E469 PolarHBondContact OG1-N 2.82Å; T466-E469 PolarHBondContact OG1-O 3.01Å; T466-E469 VanDerWaalsContact OG1-O 3.07Å; E469-F471 HydrophobicContact CB-CD2 4.19Å; E469-F471 HydrophobicContact CB-CE1 4.14Å; E469-F471 HydrophobicContact CB-CE2 3.52Å; E469-F471 HydrophobicContact CB-CZ 3.48Å; E469-F471 VanDerWaalsContact CB-CZ 3.48Å; E469-F471 HydrophobicContact CG-CE1 4.32Å; E469-F471 HydrophobicContact CG-CE2 4.31Å; E469-F471 HydrophobicContact CG-CZ 3.78Å; E469-T484 HydrophobicContact CB-CG2 3.95Å; E469-T484 HydrophobicContact CG-CG2 3.63Å; E469-L485 WeakPolarHBondContact CA-O 3.42Å
470	L	97.7	Very high	96.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.1	157.6	-175.7	162.2	0	0	0	109	Y463 K464 V465 F472 T484 L485 E486 I489 L494	Y463-L470 HydrophobicContact CD2-CD1 4.47Å; K464-L470 CarbonylContact O-C 3.59Å; K464-L470 WeakPolarHBondContact O-CA 3.31Å; V465-L470 HydrophobicContact CG2-CD1 3.88Å; V465-L470 HydrophobicContact CG2-CG 3.99Å; L470-F472 HydrophobicContact CD2-CB 4.47Å; L470-T484 CarbonylContact O-C 3.56Å; L470-T484 WeakPolarHBondContact O-CA 3.44Å; L470-L485 HydrophobicContact CB-CB 4.38Å; L470-L485 HydrophobicContact CD2-CD1 4.02Å; L470-L485 HydrophobicContact CD2-CG 4.36Å; L470-L485 PolarHBondContact N-O 3.48Å; L470-L485 PolarHBondContact O-N 2.87Å; L470-E486 WeakPolarHBondContact CB-O 3.21Å; L470-I489 HydrophobicContact CD1-CB 4.18Å; L470-L494 HydrophobicContact CD2-CD1 4.05Å; L470-L494 HydrophobicContact CD2-CD2 4.43Å
471	F	98.2	Very high	96.9	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.5	174	-54.3	-85.4	0	0	0	110	V441 Y445 L448 Y463 K464 T466 E469 A483 T484	V441-F471 HydrophobicContact CG2-CE1 4.18Å; Y445-F471 HydrophobicContact CE1-CD1 4.1Å; L448-F471 HydrophobicContact CD1-CB 3.91Å; Y463-F471 CarbonylContact C-O 3.42Å; Y463-F471 WeakPolarHBondContact CA-O 3.5Å; Y463-F471 WeakPolarHBondContact CB-O 3.48Å; K464-F471 PolarHBondContact N-O 3.37Å; K464-F471 PolarHBondContact O-N 3.27Å; T466-F471 HydrophobicContact CG2-CD2 4.38Å; T466-F471 HydrophobicContact CG2-CE2 3.97Å; E469-F471 HydrophobicContact CB-CD2 4.19Å; E469-F471 HydrophobicContact CB-CE1 4.14Å; E469-F471 HydrophobicContact CB-CE2 3.52Å; E469-F471 HydrophobicContact CB-CZ 3.48Å; E469-F471 VanDerWaalsContact CB-CZ 3.48Å; E469-F471 HydrophobicContact CG-CE1 4.32Å; E469-F471 HydrophobicContact CG-CE2 4.31Å; E469-F471 HydrophobicContact CG-CZ 3.78Å; F471-A483 WeakPolarHBondContact CA-O 3.49Å; F471-T484 HydrophobicContact CD1-CG2 3.9Å; F471-T484 WeakPolarHBondContact CD1-OG1 3.3Å; F471-T484 HydrophobicContact CE1-CG2 3.59Å; F471-T484 HydrophobicContact CZ-CG2 4.31Å
472	F	98.4	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154.1	166.9	77.6	-101.4	0	0	0	112.2	F461 I462 L470 W474 L481 Y482 A483 L485 L494 R498	F461-F472 HydrophobicContact CE2-CB 3.96Å; F461-F472 AromaticContact CE2-CD2 3.72Å; F461-F472 HydrophobicContact CE2-CD2 3.72Å; F461-F472 HydrophobicContact CE2-CG 4.05Å; F461-F472 HydrophobicContact CZ-CB 3.98Å; F461-F472 HydrophobicContact CZ-CD2 4.46Å; F461-F472 HydrophobicContact CZ-CG 4.35Å; I462-F472 CarbonylContact O-C 3.55Å; I462-F472 VanDerWaalsContact O-CA 3.24Å; I462-F472 WeakPolarHBondContact O-CA 3.48Å; I462-F472 WeakPolarHBondContact O-CB 3.36Å; L470-F472 HydrophobicContact CD2-CB 4.47Å; F472-W474 HydrophobicContact CD2-CB 4.49Å; F472-W474 HydrophobicContact CE2-CB 4.49Å; F472-L481 HydrophobicContact CE2-CD2 4.16Å; F472-L481 HydrophobicContact CE2-CG 4.07Å; F472-L481 HydrophobicContact CZ-CD2 4.33Å; F472-L481 HydrophobicContact CZ-CG 4.44Å; F472-Y482 WeakPolarHBondContact O-CA 3.5Å; F472-A483 HydrophobicContact CD1-CB 4.09Å; F472-A483 HydrophobicContact CE1-CB 3.46Å; F472-A483 VanDerWaalsContact CE1-CB 3.46Å; F472-A483 HydrophobicContact CE2-CB 4.25Å; F472-A483 HydrophobicContact CZ-CB 3.53Å; F472-A483 PolarHBondContact N-O 2.84Å; F472-A483 PolarHBondContact O-N 3.44Å; F472-L485 HydrophobicContact CD1-CD1 4.09Å; F472-L485 HydrophobicContact CD1-CG 4.36Å; F472-L485 HydrophobicContact CE1-CD1 4.09Å; F472-L485 HydrophobicContact CE1-CD2 4.31Å; F472-L485 HydrophobicContact CE1-CG 4.33Å; F472-L494 HydrophobicContact CB-CD1 4.42Å; F472-L494 HydrophobicContact CD1-CD1 3.53Å; F472-L494 HydrophobicContact CE1-CD1 4Å; F472-L494 HydrophobicContact CG-CD1 4.16Å; F472-R498 HydrophobicContact CD2-CG 4.39Å; F472-R498 HydrophobicContact CE1-CG 4.1Å; F472-R498 HydrophobicContact CE2-CG 3.86Å; F472-R498 HydrophobicContact CZ-CG 3.69Å
473	G	98.5	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136	169.8	0	0	0	0	0	109.7	F461 I462 L481	F461-G473 WeakPolarHBondContact CA-O 3.27Å; F461-G473 WeakPolarHBondContact CD2-O 3.15Å; I462-G473 PolarHBondContact N-O 3.09Å; I462-G473 PolarHBondContact O-N 3.31Å; G473-L481 CarbonylContact C-O 3.5Å; G473-L481 WeakPolarHBondContact CA-O 3.41Å
474	W	98.5	Very high	97.1	Very high	41 Å²	41	38.1 Å²	38.1	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120	-178.5	-175.7	13.1	0	0	0	109.5	R460 F461 F472 F479 E480 L481 R498 L502	R460-W474 CarbonylContact O-C 3.52Å; R460-W474 WeakPolarHBondContact O-CA 3.44Å; F461-W474 HydrophobicContact CD2-CB 3.81Å; F461-W474 HydrophobicContact CD2-CG 4.07Å; F461-W474 HydrophobicContact CE2-CB 4.31Å; F472-W474 HydrophobicContact CD2-CB 4.49Å; F472-W474 HydrophobicContact CE2-CB 4.49Å; W474-F479 AromaticContact CD2-CE2 3.9Å; W474-F479 HydrophobicContact CD2-CE2 3.9Å; W474-F479 AromaticContact CD2-CZ 3.91Å; W474-F479 HydrophobicContact CD2-CZ 3.91Å; W474-F479 AromaticContact CE2-CZ 3.8Å; W474-F479 AromaticContact CE3-CE2 3.91Å; W474-F479 HydrophobicContact CE3-CE2 3.91Å; W474-F479 AromaticContact CE3-CZ 3.97Å; W474-F479 HydrophobicContact CE3-CZ 3.97Å; W474-F479 HydrophobicContact CG-CE2 4.33Å; W474-F479 AromaticContact CH2-CZ 3.85Å; W474-F479 HydrophobicContact CH2-CZ 3.85Å; W474-F479 AromaticContact CZ2-CZ 3.79Å; W474-F479 HydrophobicContact CZ2-CZ 3.79Å; W474-F479 HydrophobicContact CZ3-CE2 4.26Å; W474-F479 AromaticContact CZ3-CZ 3.93Å; W474-F479 HydrophobicContact CZ3-CZ 3.93Å; W474-E480 CarbonylContact O-C 3.52Å; W474-E480 WeakPolarHBondContact O-CA 3.45Å; W474-L481 HydrophobicContact CB-CB 4.46Å; W474-L481 HydrophobicContact CE3-CD2 4.13Å; W474-L481 PolarHBondContact N-O 3.42Å; W474-L481 PolarHBondContact O-N 2.99Å; W474-R498 HydrophobicContact CE3-CB 4.36Å; W474-R498 HydrophobicContact CZ3-CB 4.19Å; W474-L502 HydrophobicContact CH2-CD2 3.59Å; W474-L502 HydrophobicContact CZ3-CB 4.24Å; W474-L502 HydrophobicContact CZ3-CD2 3.85Å
475	K	97.7	Very high	97.2	Very high	56 Å²	56	33.4 Å²	33.4	24%	0.243	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.6	178.6	177.2	169.7	178.1	-79.6	0	110.8	L452 H453 R460 E480	L452-K475 HydrophobicContact CB-CB 4.32Å; L452-K475 HydrophobicContact CB-CD 4.33Å; L452-K475 HydrophobicContact CD1-CB 4.32Å; L452-K475 HydrophobicContact CD2-CB 4.38Å; H453-K475 WeakPolarHBondContact CE1-CE 3.4Å; H453-K475 WeakPolarHBondContact ND1-CE 3.42Å; R460-K475 PolarHBondContact O-N 2.61Å; K475-E480 HydrophobicContact CD-CG 4.49Å; K475-E480 HydrophobicContact CG-CG 4.19Å
476	T	96.8	Very high	97.2	Very high	33 Å²	33	33.1 Å²	33.1	20%	0.202	18%	0.182	C	C	.	.			trans	-126.3	-171.2	168.6	68.9	0	0	0	0	108.9	I392 N478 F479	I392-T476 WeakPolarHBondContact CD1-O 3.42Å; T476-N478 VanDerWaalsContact C-N 3.31Å; T476-N478 PolarHBondContact OG1-N 3.21Å; T476-F479 HydrophobicContact CG2-CD1 4.25Å; T476-F479 HydrophobicContact CG2-CE1 3.62Å; T476-F479 HydrophobicContact CG2-CE2 4.29Å; T476-F479 HydrophobicContact CG2-CZ 3.64Å; T476-F479 PolarHBondContact N-O 2.97Å; T476-F479 WeakPolarHBondContact OG1-CD1 3.46Å; T476-F479 WeakPolarHBondContact OG1-CE1 3.15Å; T476-F479 PolarHBondContact OG1-N 2.84Å; T476-F479 VanDerWaalsContact OG1-N 3.09Å; T476-F479 PolarHBondContact OG1-O 3.27Å
477	D	95.5	Very high	97.1	Very high	122 Å²	122	32.3 Å²	32.3	65%	0.652	18%	0.178	S	C	*	.	S	Bend	trans	-77.6	-20.6	175	-54.5	-34.8	0	0	0	112.2
478	N	96.9	Very high	97.1	Very high	108 Å²	108	34.8 Å²	34.8	58%	0.578	18%	0.181	S	C	*	.	S	Bend	trans	-104.6	-26.1	-175.2	-66.3	-38.6	0	0	0	113.6	I392 P393 T476	I392-N478 PolarHBondContact N-O 2.84Å; P393-N478 WeakPolarHBondContact CD-O 3.29Å; T476-N478 VanDerWaalsContact C-N 3.31Å; T476-N478 PolarHBondContact OG1-N 3.21Å
479	F	98.1	Very high	97.2	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160.1	-176.7	74.1	-93.9	0	0	0	113.6	Y389 K390 W474 T476 L481 L502	Y389-F479 HydrophobicContact CD2-CB 4.38Å; Y389-F479 HydrophobicContact CD2-CD2 4.19Å; Y389-F479 HydrophobicContact CD2-CG 4.49Å; Y389-F479 HydrophobicContact CE1-CB 4.31Å; Y389-F479 HydrophobicContact CE2-CB 3.54Å; Y389-F479 HydrophobicContact CE2-CD1 4.44Å; Y389-F479 AromaticContact CE2-CD2 3.78Å; Y389-F479 HydrophobicContact CE2-CD2 3.78Å; Y389-F479 AromaticContact CE2-CG 3.68Å; Y389-F479 HydrophobicContact CE2-CG 3.68Å; Y389-F479 VanDerWaalsContact CZ-CB 3.5Å; Y389-F479 WeakPolarHBondContact OH-CB 3.34Å; K390-F479 CarbonylContact O-C 3.52Å; K390-F479 WeakPolarHBondContact O-CA 3.37Å; K390-F479 WeakPolarHBondContact O-CB 3.41Å; W474-F479 AromaticContact CD2-CE2 3.9Å; W474-F479 HydrophobicContact CD2-CE2 3.9Å; W474-F479 AromaticContact CD2-CZ 3.91Å; W474-F479 HydrophobicContact CD2-CZ 3.91Å; W474-F479 AromaticContact CE2-CZ 3.8Å; W474-F479 AromaticContact CE3-CE2 3.91Å; W474-F479 HydrophobicContact CE3-CE2 3.91Å; W474-F479 AromaticContact CE3-CZ 3.97Å; W474-F479 HydrophobicContact CE3-CZ 3.97Å; W474-F479 HydrophobicContact CG-CE2 4.33Å; W474-F479 AromaticContact CH2-CZ 3.85Å; W474-F479 HydrophobicContact CH2-CZ 3.85Å; W474-F479 AromaticContact CZ2-CZ 3.79Å; W474-F479 HydrophobicContact CZ2-CZ 3.79Å; W474-F479 HydrophobicContact CZ3-CE2 4.26Å; W474-F479 AromaticContact CZ3-CZ 3.93Å; W474-F479 HydrophobicContact CZ3-CZ 3.93Å; T476-F479 HydrophobicContact CG2-CD1 4.25Å; T476-F479 HydrophobicContact CG2-CE1 3.62Å; T476-F479 HydrophobicContact CG2-CE2 4.29Å; T476-F479 HydrophobicContact CG2-CZ 3.64Å; T476-F479 PolarHBondContact N-O 2.97Å; T476-F479 WeakPolarHBondContact OG1-CD1 3.46Å; T476-F479 WeakPolarHBondContact OG1-CE1 3.15Å; T476-F479 PolarHBondContact OG1-N 2.84Å; T476-F479 VanDerWaalsContact OG1-N 3.09Å; T476-F479 PolarHBondContact OG1-O 3.27Å; F479-L481 HydrophobicContact CD2-CB 4.06Å; F479-L481 HydrophobicContact CE2-CB 3.99Å; F479-L502 HydrophobicContact CD1-CD1 4.25Å; F479-L502 HydrophobicContact CD2-CD1 4.47Å; F479-L502 HydrophobicContact CE1-CD1 3.91Å; F479-L502 HydrophobicContact CE1-CD2 3.96Å; F479-L502 HydrophobicContact CE2-CD1 4.17Å; F479-L502 HydrophobicContact CZ-CD1 3.88Å; F479-L502 HydrophobicContact CZ-CD2 3.81Å; F479-L502 HydrophobicContact CZ-CG 4.49Å
480	E	98.2	Very high	97.1	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.3	165.6	-51.2	174.4	-146.1	0	0	108.7	Y389 K390 I392 H449 H453 W474 K475 Y482	Y389-E480 CarbonylContact C-O 3.57Å; Y389-E480 WeakPolarHBondContact CA-O 3.25Å; K390-E480 HydrophobicContact CB-CB 4.22Å; K390-E480 HydrophobicContact CD-CG 4.26Å; K390-E480 WeakPolarHBondContact CD-OE1 3.25Å; K390-E480 PolarHBondContact N-O 2.82Å; K390-E480 IonicContact NZ-OE1 3.35Å; K390-E480 PolarHBondContact NZ-OE1 2.8Å; K390-E480 PolarHBondContact O-N 3.27Å; I392-E480 HydrophobicContact CD1-CG 3.83Å; I392-E480 HydrophobicContact CG1-CG 3.97Å; H449-E480 IonicContact CD2-OE2 2.91Å; H449-E480 IonicContact NE2-OE2 3.97Å; H453-E480 IonicContact CD2-OE2 3.88Å; H453-E480 IonicContact CE1-OE1 2.64Å; H453-E480 PolarHBondContact CE1-OE1 2.75Å; H453-E480 VanDerWaalsContact CE1-OE1 3.24Å; H453-E480 IonicContact CE1-OE2 2.7Å; H453-E480 IonicContact NE2-OE1 2.77Å; H453-E480 PolarHBondContact NE2-OE1 3.25Å; H453-E480 IonicContact NE2-OE2 3.86Å; H453-E480 PolarHBondContact NE2-OE2 2.85Å; W474-E480 CarbonylContact O-C 3.52Å; W474-E480 WeakPolarHBondContact O-CA 3.45Å; K475-E480 HydrophobicContact CD-CG 4.49Å; K475-E480 HydrophobicContact CG-CG 4.19Å; E480-Y482 HydrophobicContact CB-CE2 3.85Å; E480-Y482 PolarHBondContact OE2-OH 3.49Å; E480-Y482 VanDerWaalsContact OE2-OH 3.1Å
481	L	98.6	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.4	-180	176	63.2	0	0	0	109.6	F387 V388 Y389 F472 G473 W474 F479 L501 I505	F387-L481 HydrophobicContact CD2-CD1 4.24Å; V388-L481 WeakPolarHBondContact O-CA 3.26Å; Y389-L481 HydrophobicContact CD2-CB 4.42Å; Y389-L481 HydrophobicContact CD2-CD1 4.32Å; F472-L481 HydrophobicContact CE2-CD2 4.16Å; F472-L481 HydrophobicContact CE2-CG 4.07Å; F472-L481 HydrophobicContact CZ-CD2 4.33Å; F472-L481 HydrophobicContact CZ-CG 4.44Å; G473-L481 CarbonylContact C-O 3.5Å; G473-L481 WeakPolarHBondContact CA-O 3.41Å; W474-L481 HydrophobicContact CB-CB 4.46Å; W474-L481 HydrophobicContact CE3-CD2 4.13Å; W474-L481 PolarHBondContact N-O 3.42Å; W474-L481 PolarHBondContact O-N 2.99Å; F479-L481 HydrophobicContact CD2-CB 4.06Å; F479-L481 HydrophobicContact CE2-CB 3.99Å; L481-L501 HydrophobicContact CD1-CD2 3.98Å; L481-L501 HydrophobicContact CD1-CG 4.41Å; L481-L501 HydrophobicContact CD2-CD2 4.1Å; L481-L501 HydrophobicContact CD2-CG 4.29Å; L481-L501 HydrophobicContact CG-CD2 4.48Å; L481-I505 HydrophobicContact CD1-CD1 3.98Å
482	Y	98.7	Very high	96.8	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.6	174.9	-56.8	-87.6	0	0	0	108.6	L229 F387 V388 Y445 L448 H449 L452 F472 E480	L229-Y482 HydrophobicContact CD2-CD2 4.26Å; L229-Y482 HydrophobicContact CD2-CE2 3.67Å; F387-Y482 CarbonylContact C-O 3.5Å; F387-Y482 VanDerWaalsContact CA-O 3.26Å; F387-Y482 WeakPolarHBondContact CA-O 3.49Å; V388-Y482 PolarHBondContact N-O 2.96Å; V388-Y482 PolarHBondContact O-N 2.93Å; Y445-Y482 HydrophobicContact CG-CG 4.36Å; L448-Y482 HydrophobicContact CB-CD1 4.01Å; L448-Y482 HydrophobicContact CB-CE1 3.93Å; L448-Y482 HydrophobicContact CD1-CD1 4.46Å; H449-Y482 WeakPolarHBondContact CA-OH 3.48Å; H449-Y482 HydrophobicContact CB-CE1 4.1Å; H449-Y482 PolarHBondContact CD2-OH 3.28Å; H449-Y482 VanDerWaalsContact CD2-OH 3.27Å; L452-Y482 HydrophobicContact CD1-CE1 3.77Å; F472-Y482 WeakPolarHBondContact O-CA 3.5Å; E480-Y482 HydrophobicContact CB-CE2 3.85Å; E480-Y482 PolarHBondContact OE2-OH 3.49Å; E480-Y482 VanDerWaalsContact OE2-OH 3.1Å
483	A	98.5	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157.6	175.3	0	0	0	0	0	112.6	L384 H386 F387 Y445 F471 F472 L485 L501	L384-A483 HydrophobicContact CD1-CB 3.99Å; H386-A483 CarbonylContact O-C 3.57Å; H386-A483 VanDerWaalsContact O-CA 3.27Å; H386-A483 WeakPolarHBondContact O-CA 3.33Å; H386-A483 WeakPolarHBondContact O-CB 3.18Å; F387-A483 HydrophobicContact CB-CB 3.93Å; Y445-A483 VanDerWaalsContact OH-C 3.23Å; Y445-A483 VanDerWaalsContact OH-CA 3.29Å; Y445-A483 WeakPolarHBondContact OH-CA 3.45Å; F471-A483 WeakPolarHBondContact CA-O 3.49Å; F472-A483 HydrophobicContact CD1-CB 4.09Å; F472-A483 HydrophobicContact CE1-CB 3.46Å; F472-A483 VanDerWaalsContact CE1-CB 3.46Å; F472-A483 HydrophobicContact CE2-CB 4.25Å; F472-A483 HydrophobicContact CZ-CB 3.53Å; F472-A483 PolarHBondContact N-O 2.84Å; F472-A483 PolarHBondContact O-N 3.44Å; A483-L485 HydrophobicContact CB-CD2 4.5Å; A483-L501 HydrophobicContact CB-CD2 4.29Å
484	T	98.3	Very high	96.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.6	175.7	-53.8	0	0	0	0	108.4	R385 H386 Y406 Y445 E469 L470 F471	R385-T484 WeakPolarHBondContact CA-O 3.41Å; R385-T484 WeakPolarHBondContact CB-O 3.22Å; R385-T484 PolarHBondContact N-O 3.49Å; H386-T484 PolarHBondContact N-O 3.02Å; H386-T484 VanDerWaalsContact N-O 3.17Å; H386-T484 PolarHBondContact O-N 3.15Å; Y406-T484 WeakPolarHBondContact OH-CG2 3.5Å; Y445-T484 WeakPolarHBondContact CE1-OG1 3.44Å; Y445-T484 PolarHBondContact OH-N 3.2Å; Y445-T484 PolarHBondContact OH-OG1 2.84Å; E469-T484 HydrophobicContact CB-CG2 3.95Å; E469-T484 HydrophobicContact CG-CG2 3.63Å; L470-T484 CarbonylContact O-C 3.56Å; L470-T484 WeakPolarHBondContact O-CA 3.44Å; F471-T484 HydrophobicContact CD1-CG2 3.9Å; F471-T484 WeakPolarHBondContact CD1-OG1 3.3Å; F471-T484 HydrophobicContact CE1-CG2 3.59Å; F471-T484 HydrophobicContact CZ-CG2 4.31Å
485	L	97.7	Very high	96.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	172.5	-177.3	-43.2	179.1	0	0	0	111.1	N383 L384 E469 L470 F472 A483 I489 L494 I497	N383-L485 CarbonylContact O-C 3.45Å; N383-L485 WeakPolarHBondContact O-CA 3.49Å; N383-L485 WeakPolarHBondContact O-CB 3.26Å; L384-L485 HydrophobicContact CB-CD2 4.13Å; L384-L485 HydrophobicContact CD1-CD2 3.4Å; L384-L485 VanDerWaalsContact CD1-CD2 3.4Å; L384-L485 HydrophobicContact CG-CD2 4.36Å; E469-L485 WeakPolarHBondContact CA-O 3.42Å; L470-L485 HydrophobicContact CB-CB 4.38Å; L470-L485 HydrophobicContact CD2-CD1 4.02Å; L470-L485 HydrophobicContact CD2-CG 4.36Å; L470-L485 PolarHBondContact N-O 3.48Å; L470-L485 PolarHBondContact O-N 2.87Å; F472-L485 HydrophobicContact CD1-CD1 4.09Å; F472-L485 HydrophobicContact CD1-CG 4.36Å; F472-L485 HydrophobicContact CE1-CD1 4.09Å; F472-L485 HydrophobicContact CE1-CD2 4.31Å; F472-L485 HydrophobicContact CE1-CG 4.33Å; A483-L485 HydrophobicContact CB-CD2 4.5Å; L485-I489 HydrophobicContact CB-CD1 3.26Å; L485-I489 HydrophobicContact CD1-CD1 3.61Å; L485-I489 HydrophobicContact CG-CD1 4.02Å; L485-L494 HydrophobicContact CD1-CD1 3.63Å; L485-I497 HydrophobicContact CD1-CD1 4.07Å; L485-I497 HydrophobicContact CD1-CG2 4.1Å; L485-I497 HydrophobicContact CD2-CG2 3.86Å
486	E	95.8	Very high	96.6	Very high	70 Å²	70	50 Å²	50	33%	0.327	27%	0.271	S	S	.	.			trans	-56.2	146.8	165.5	-66.1	-65	144.7	0	0	111.9	N383 R385 L470 L488 I489	N383-E486 HydrophobicContact CB-CB 4.02Å; N383-E486 HydrophobicContact CB-CG 3.81Å; N383-E486 PolarHBondContact O-N 3.13Å; R385-E486 IonicContact CZ-OE1 3.68Å; R385-E486 VanDerWaalsContact CZ-OE1 3.27Å; R385-E486 IonicContact CZ-OE2 2.69Å; R385-E486 VanDerWaalsContact NE-CD 3.32Å; R385-E486 IonicContact NE-OE1 2.99Å; R385-E486 PolarHBondContact NE-OE1 3.09Å; R385-E486 IonicContact NE-OE2 2.81Å; R385-E486 IonicContact NH2-OE1 3.54Å; R385-E486 PolarHBondContact NH2-OE1 3.17Å; R385-E486 IonicContact NH2-OE2 3.63Å; R385-E486 PolarHBondContact NH2-OE2 2.86Å; L470-E486 WeakPolarHBondContact CB-O 3.21Å; E486-L488 PolarHBondContact O-N 3.42Å; E486-I489 HydrophobicContact CB-CD1 4.18Å; E486-I489 HydrophobicContact CB-CG1 4.21Å; E486-I489 VanDerWaalsContact O-CD1 3.3Å; E486-I489 WeakPolarHBondContact O-CD1 3.38Å; E486-I489 VanDerWaalsContact O-CG1 3.3Å; E486-I489 WeakPolarHBondContact O-CG1 3.24Å
487	P	94.2	Very high	96.6	Very high	25 Å²	25	48.9 Å²	48.9	16%	0.162	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-29.2	-174.1	26	-32.7	0	0	0	114.2	I489	P487-I489 PolarHBondContact O-N 3.43Å
488	L	93.5	Very high	96.7	Very high	165 Å²	165	45.6 Å²	45.6	86%	0.864	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	27.1	-173	-61.2	-179.5	0	0	0	114.1	E486	E486-L488 PolarHBondContact O-N 3.42Å
489	I	94.6	Very high	96.7	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.092	24%	0.24	C	C	.	.			trans	-83.2	130.8	-178	-68.1	177.1	0	0	0	110.4	N383 L470 L485 E486 P487 E493 L494 I497	N383-I489 HydrophobicContact CB-CD1 3.61Å; N383-I489 HydrophobicContact CB-CG1 4.13Å; L470-I489 HydrophobicContact CD1-CB 4.18Å; L485-I489 HydrophobicContact CB-CD1 3.26Å; L485-I489 HydrophobicContact CD1-CD1 3.61Å; L485-I489 HydrophobicContact CG-CD1 4.02Å; E486-I489 HydrophobicContact CB-CD1 4.18Å; E486-I489 HydrophobicContact CB-CG1 4.21Å; E486-I489 VanDerWaalsContact O-CD1 3.3Å; E486-I489 WeakPolarHBondContact O-CD1 3.38Å; E486-I489 VanDerWaalsContact O-CG1 3.3Å; E486-I489 WeakPolarHBondContact O-CG1 3.24Å; P487-I489 PolarHBondContact O-N 3.43Å; I489-E493 HydrophobicContact CG2-CB 3.74Å; I489-L494 HydrophobicContact CG2-CB 4.08Å; I489-I497 HydrophobicContact CD1-CD1 3.93Å; I489-I497 HydrophobicContact CG2-CD1 4.35Å
490	T	95	Very high	96.7	Very high	73 Å²	73	50.2 Å²	50.2	45%	0.448	26%	0.258	S	S	.	.			trans	-73	157.7	173.9	64.7	0	0	0	0	111.5	T492 E493 L494	T490-T492 PolarHBondContact O-N 3.07Å; T490-E493 WeakPolarHBondContact CB-OE2 3.46Å; T490-E493 PolarHBondContact N-OE2 2.9Å; T490-E493 PolarHBondContact O-N 3.27Å; T490-E493 WeakPolarHBondContact OG1-CB 3.34Å; T490-E493 VanDerWaalsContact OG1-CD 3.31Å; T490-E493 WeakPolarHBondContact OG1-CG 3.3Å; T490-E493 PolarHBondContact OG1-N 3.35Å; T490-E493 PolarHBondContact OG1-OE2 3.04Å; T490-L494 PolarHBondContact O-N 3.16Å
491	I	93.8	Very high	96.7	Very high	120 Å²	120	50 Å²	50	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-60.7	-32.2	178.6	-160.6	166.5	0	0	0	112.7	G495	I491-G495 PolarHBondContact O-N 3.08Å; I491-G495 VanDerWaalsContact O-N 3.08Å
492	T	96.1	Very high	96.7	Very high	104 Å²	104	51.7 Å²	51.7	64%	0.638	27%	0.266	S	S	*	.	H	α-helix	trans	-67.4	-48.4	176.3	-52.8	0	0	0	0	111	T490 L494 G495 E496	T490-T492 PolarHBondContact O-N 3.07Å; T492-L494 VanDerWaalsContact C-N 3.32Å; T492-L494 PolarHBondContact O-N 2.8Å; T492-G495 PolarHBondContact O-N 2.97Å; T492-G495 VanDerWaalsContact O-N 3.14Å; T492-E496 PolarHBondContact O-N 3.31Å; T492-E496 VanDerWaalsContact O-N 3.12Å
493	E	96.6	Very high	96.6	Very high	82 Å²	82	59.5 Å²	59.5	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-40.8	175.5	-73.1	168	138.3	0	0	111.8	I489 T490 G495 E496 I497	I489-E493 HydrophobicContact CG2-CB 3.74Å; T490-E493 WeakPolarHBondContact CB-OE2 3.46Å; T490-E493 PolarHBondContact N-OE2 2.9Å; T490-E493 PolarHBondContact O-N 3.27Å; T490-E493 WeakPolarHBondContact OG1-CB 3.34Å; T490-E493 VanDerWaalsContact OG1-CD 3.31Å; T490-E493 WeakPolarHBondContact OG1-CG 3.3Å; T490-E493 PolarHBondContact OG1-N 3.35Å; T490-E493 PolarHBondContact OG1-OE2 3.04Å; E493-G495 VanDerWaalsContact C-N 3.28Å; E493-G495 PolarHBondContact O-N 2.87Å; E493-E496 PolarHBondContact O-N 2.73Å; E493-E496 VanDerWaalsContact O-N 3.16Å; E493-I497 WeakPolarHBondContact O-CB 3.39Å; E493-I497 VanDerWaalsContact O-CG1 3.31Å; E493-I497 WeakPolarHBondContact O-CG1 3.35Å; E493-I497 PolarHBondContact O-N 3.47Å
494	L	97.5	Very high	96.6	Very high	5 Å²	5	61 Å²	61	3%	0.026	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-41.4	174.4	176.2	60.5	0	0	0	111.6	F461 Y463 L470 F472 L485 I489 T490 T492 R498	F461-L494 HydrophobicContact CE1-CD2 4.35Å; F461-L494 HydrophobicContact CZ-CD2 4Å; F461-L494 HydrophobicContact CZ-CG 4.33Å; Y463-L494 HydrophobicContact CD1-CD2 4.25Å; Y463-L494 HydrophobicContact CD2-CD2 4.33Å; Y463-L494 HydrophobicContact CG-CD2 3.97Å; L470-L494 HydrophobicContact CD2-CD1 4.05Å; L470-L494 HydrophobicContact CD2-CD2 4.43Å; F472-L494 HydrophobicContact CB-CD1 4.42Å; F472-L494 HydrophobicContact CD1-CD1 3.53Å; F472-L494 HydrophobicContact CE1-CD1 4Å; F472-L494 HydrophobicContact CG-CD1 4.16Å; L485-L494 HydrophobicContact CD1-CD1 3.63Å; I489-L494 HydrophobicContact CG2-CB 4.08Å; T490-L494 PolarHBondContact O-N 3.16Å; T492-L494 VanDerWaalsContact C-N 3.32Å; T492-L494 PolarHBondContact O-N 2.8Å; L494-R498 HydrophobicContact CD1-CG 4.46Å; L494-R498 WeakPolarHBondContact O-CB 3.46Å; L494-R498 WeakPolarHBondContact O-CD 3.5Å; L494-R498 VanDerWaalsContact O-CG 3.26Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.5Å; L494-R498 VanDerWaalsContact O-N 3.1Å
495	G	96.7	Very high	96.5	Very high	21 Å²	21	61.1 Å²	61.1	22%	0.216	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-43.5	174.8	0	0	0	0	0	112.8	I491 T492 E493 K499	I491-G495 PolarHBondContact O-N 3.08Å; I491-G495 VanDerWaalsContact O-N 3.08Å; T492-G495 PolarHBondContact O-N 2.97Å; T492-G495 VanDerWaalsContact O-N 3.14Å; E493-G495 VanDerWaalsContact C-N 3.28Å; E493-G495 PolarHBondContact O-N 2.87Å; G495-K499 WeakPolarHBondContact O-CG 3.47Å; G495-K499 PolarHBondContact O-N 3.34Å
496	E	97.3	Very high	96.4	Very high	84 Å²	84	64.3 Å²	64.3	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-71.7	-43.8	179.2	-67	-51.6	120.3	0	0	112.7	T492 E493 R498 K499 Q500	T492-E496 PolarHBondContact O-N 3.31Å; T492-E496 VanDerWaalsContact O-N 3.12Å; E493-E496 PolarHBondContact O-N 2.73Å; E493-E496 VanDerWaalsContact O-N 3.16Å; E496-R498 VanDerWaalsContact C-N 3.29Å; E496-R498 PolarHBondContact O-N 3.06Å; E496-K499 PolarHBondContact O-N 3.12Å; E496-K499 VanDerWaalsContact O-N 3.16Å; E496-K499 IonicContact OE1-NZ 3.95Å; E496-K499 PolarHBondContact OE1-NZ 3.37Å; E496-Q500 WeakPolarHBondContact O-CG 3.26Å; E496-Q500 PolarHBondContact O-N 3.47Å
497	I	97.7	Very high	96.5	Very high	10 Å²	10	65.1 Å²	65.1	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-55.5	-45.5	175.2	-73.7	169.2	0	0	0	110.6	I381 L485 I489 E493 K499 Q500 L501	I381-I497 HydrophobicContact CG2-CB 4.32Å; I381-I497 HydrophobicContact CG2-CG1 3.94Å; I381-I497 HydrophobicContact CG2-CG2 4.01Å; L485-I497 HydrophobicContact CD1-CD1 4.07Å; L485-I497 HydrophobicContact CD1-CG2 4.1Å; L485-I497 HydrophobicContact CD2-CG2 3.86Å; I489-I497 HydrophobicContact CD1-CD1 3.93Å; I489-I497 HydrophobicContact CG2-CD1 4.35Å; E493-I497 WeakPolarHBondContact O-CB 3.39Å; E493-I497 VanDerWaalsContact O-CG1 3.31Å; E493-I497 WeakPolarHBondContact O-CG1 3.35Å; E493-I497 PolarHBondContact O-N 3.47Å; I497-K499 PolarHBondContact O-N 3.36Å; I497-Q500 PolarHBondContact O-N 3.35Å; I497-L501 VanDerWaalsContact O-CB 3.23Å; I497-L501 WeakPolarHBondContact O-CB 3.44Å; I497-L501 PolarHBondContact O-N 2.97Å
498	R	97.2	Very high	96.6	Very high	53 Å²	53	67 Å²	67	20%	0.2	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-46	177.5	-77.8	168.8	51.8	-166.7	-16.8	112.9	F461 F472 W474 L494 E496 L502	F461-R498 VanDerWaalsContact CE2-CD 3.42Å; F461-R498 HydrophobicContact CE2-CG 4.46Å; F461-R498 VanDerWaalsContact CE2-NH1 3.35Å; F472-R498 HydrophobicContact CD2-CG 4.39Å; F472-R498 HydrophobicContact CE1-CG 4.1Å; F472-R498 HydrophobicContact CE2-CG 3.86Å; F472-R498 HydrophobicContact CZ-CG 3.69Å; W474-R498 HydrophobicContact CE3-CB 4.36Å; W474-R498 HydrophobicContact CZ3-CB 4.19Å; L494-R498 HydrophobicContact CD1-CG 4.46Å; L494-R498 WeakPolarHBondContact O-CB 3.46Å; L494-R498 WeakPolarHBondContact O-CD 3.5Å; L494-R498 VanDerWaalsContact O-CG 3.26Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.5Å; L494-R498 VanDerWaalsContact O-N 3.1Å; E496-R498 VanDerWaalsContact C-N 3.29Å; E496-R498 PolarHBondContact O-N 3.06Å; R498-L502 WeakPolarHBondContact O-CB 3.4Å; R498-L502 PolarHBondContact O-N 3.42Å
499	K	96.9	Very high	96.7	Very high	125 Å²	125	62.1 Å²	62.1	54%	0.543	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-45.4	179.9	-69.2	171.8	-169.4	165.3	0	111	G495 E496 I497 K503	G495-K499 WeakPolarHBondContact O-CG 3.47Å; G495-K499 PolarHBondContact O-N 3.34Å; E496-K499 PolarHBondContact O-N 3.12Å; E496-K499 VanDerWaalsContact O-N 3.16Å; E496-K499 IonicContact OE1-NZ 3.95Å; E496-K499 PolarHBondContact OE1-NZ 3.37Å; I497-K499 PolarHBondContact O-N 3.36Å; K499-K503 WeakPolarHBondContact O-CB 3.34Å; K499-K503 PolarHBondContact O-N 2.89Å
500	Q	97.8	Very high	96.8	Very high	95 Å²	95	64.1 Å²	64.1	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-62.9	-45.5	179	-70.1	176.7	14	0	0	111.4	I381 E496 I497 K503 W504	I381-Q500 HydrophobicContact CD1-CB 3.72Å; I381-Q500 HydrophobicContact CG1-CB 4.07Å; E496-Q500 WeakPolarHBondContact O-CG 3.26Å; E496-Q500 PolarHBondContact O-N 3.47Å; I497-Q500 PolarHBondContact O-N 3.35Å; Q500-K503 PolarHBondContact O-N 3.36Å; Q500-W504 WeakPolarHBondContact O-CB 3.38Å; Q500-W504 PolarHBondContact O-N 3.44Å
501	L	98	Very high	96.9	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-47.9	-179.9	-178.2	55	0	0	0	111.2	I379 I381 L384 F387 L481 A483 I497 K503 W504 I505	I379-L501 HydrophobicContact CD1-CD1 4.41Å; I379-L501 HydrophobicContact CG2-CD1 4.3Å; I381-L501 VanDerWaalsContact CD1-CA 3.46Å; I381-L501 HydrophobicContact CD1-CB 3.74Å; I381-L501 HydrophobicContact CD1-CD1 4.26Å; I381-L501 VanDerWaalsContact CD1-N 3.32Å; L384-L501 HydrophobicContact CD1-CD2 4.28Å; L384-L501 HydrophobicContact CD2-CD1 4.04Å; L384-L501 HydrophobicContact CD2-CD2 4.31Å; F387-L501 HydrophobicContact CB-CD2 3.87Å; F387-L501 HydrophobicContact CD1-CD1 4.12Å; F387-L501 HydrophobicContact CD2-CD1 4.29Å; F387-L501 HydrophobicContact CE1-CD1 4.42Å; F387-L501 HydrophobicContact CG-CD1 4.07Å; F387-L501 HydrophobicContact CG-CD2 4.19Å; L481-L501 HydrophobicContact CD1-CD2 3.98Å; L481-L501 HydrophobicContact CD1-CG 4.41Å; L481-L501 HydrophobicContact CD2-CD2 4.1Å; L481-L501 HydrophobicContact CD2-CG 4.29Å; L481-L501 HydrophobicContact CG-CD2 4.48Å; A483-L501 HydrophobicContact CB-CD2 4.29Å; I497-L501 VanDerWaalsContact O-CB 3.23Å; I497-L501 WeakPolarHBondContact O-CB 3.44Å; I497-L501 PolarHBondContact O-N 2.97Å; L501-K503 PolarHBondContact O-N 3.41Å; L501-W504 PolarHBondContact O-N 2.98Å; L501-I505 HydrophobicContact CD1-CD1 3.92Å; L501-I505 HydrophobicContact CD1-CG1 4.19Å; L501-I505 HydrophobicContact CG-CD1 3.92Å; L501-I505 VanDerWaalsContact O-CG1 3.28Å; L501-I505 WeakPolarHBondContact O-CG1 3.39Å; L501-I505 PolarHBondContact O-N 3.21Å
502	L	97.8	Very high	97	Very high	34 Å²	34	60.5 Å²	60.5	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-46.8	176.7	-179.8	62.8	0	0	0	111.5	Y389 W474 F479 R498 W504 I505 E506	Y389-L502 HydrophobicContact CE2-CD1 3.87Å; W474-L502 HydrophobicContact CH2-CD2 3.59Å; W474-L502 HydrophobicContact CZ3-CB 4.24Å; W474-L502 HydrophobicContact CZ3-CD2 3.85Å; F479-L502 HydrophobicContact CD1-CD1 4.25Å; F479-L502 HydrophobicContact CD2-CD1 4.47Å; F479-L502 HydrophobicContact CE1-CD1 3.91Å; F479-L502 HydrophobicContact CE1-CD2 3.96Å; F479-L502 HydrophobicContact CE2-CD1 4.17Å; F479-L502 HydrophobicContact CZ-CD1 3.88Å; F479-L502 HydrophobicContact CZ-CD2 3.81Å; F479-L502 HydrophobicContact CZ-CG 4.49Å; R498-L502 WeakPolarHBondContact O-CB 3.4Å; R498-L502 PolarHBondContact O-N 3.42Å; L502-W504 VanDerWaalsContact C-N 3.31Å; L502-W504 PolarHBondContact O-N 3.15Å; L502-I505 PolarHBondContact O-N 2.69Å; L502-E506 HydrophobicContact CD1-CG 4.06Å; L502-E506 HydrophobicContact CG-CG 4.41Å; L502-E506 WeakPolarHBondContact O-CG 3.34Å; L502-E506 PolarHBondContact O-N 2.98Å
503	K	97.6	Very high	97.1	Very high	166 Å²	166	55.7 Å²	55.7	72%	0.722	27%	0.266	S	S	*	.	H	α-helix	trans	-58.1	-43.7	178	-176.6	-178.8	178.6	-177.4	0	111.7	K499 Q500 L501 S507	K499-K503 WeakPolarHBondContact O-CB 3.34Å; K499-K503 PolarHBondContact O-N 2.89Å; Q500-K503 PolarHBondContact O-N 3.36Å; L501-K503 PolarHBondContact O-N 3.41Å; K503-S507 WeakPolarHBondContact O-CB 3.34Å; K503-S507 PolarHBondContact O-N 3.41Å
504	W	97.8	Very high	97.1	Very high	32 Å²	32	52 Å²	52	12%	0.121	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-43.3	178.7	177.9	102.1	0	0	0	111.8	P374 D378 I379 F387 Q500 L501 L502 S507 K508 F512	P374-W504 HydrophobicContact CB-CH2 3.45Å; P374-W504 VanDerWaalsContact CB-CH2 3.45Å; P374-W504 HydrophobicContact CB-CZ2 4.12Å; P374-W504 HydrophobicContact CB-CZ3 4.42Å; P374-W504 HydrophobicContact CG-CH2 4.09Å; D378-W504 PolarHBondContact O-NE1 2.99Å; I379-W504 HydrophobicContact CB-CD2 4.46Å; I379-W504 HydrophobicContact CB-CZ2 4.46Å; I379-W504 HydrophobicContact CD1-CH2 4.44Å; I379-W504 HydrophobicContact CG1-CD2 4.37Å; I379-W504 HydrophobicContact CG1-CH2 4.05Å; I379-W504 HydrophobicContact CG1-CZ2 3.75Å; I379-W504 HydrophobicContact CG1-CZ3 4.43Å; I379-W504 HydrophobicContact CG2-CB 4.27Å; I379-W504 HydrophobicContact CG2-CD2 3.74Å; I379-W504 HydrophobicContact CG2-CE3 4.18Å; I379-W504 HydrophobicContact CG2-CG 3.76Å; F387-W504 HydrophobicContact CE1-CZ3 4.35Å; F387-W504 HydrophobicContact CZ-CH2 4.36Å; F387-W504 AromaticContact CZ-CZ3 3.8Å; F387-W504 HydrophobicContact CZ-CZ3 3.8Å; Q500-W504 WeakPolarHBondContact O-CB 3.38Å; Q500-W504 PolarHBondContact O-N 3.44Å; L501-W504 PolarHBondContact O-N 2.98Å; L502-W504 VanDerWaalsContact C-N 3.31Å; L502-W504 PolarHBondContact O-N 3.15Å; W504-S507 PolarHBondContact O-N 2.78Å; W504-S507 PolarHBondContact O-OG 3.3Å; W504-K508 HydrophobicContact CD2-CD 4.33Å; W504-K508 VanDerWaalsContact CE2-NZ 3.28Å; W504-K508 HydrophobicContact CH2-CD 4.09Å; W504-K508 HydrophobicContact CZ2-CD 3.68Å; W504-K508 PolarHBondContact O-N 2.73Å; W504-F512 HydrophobicContact CE3-CE2 4.5Å; W504-F512 AromaticContact CH2-CE2 3.78Å; W504-F512 HydrophobicContact CH2-CE2 3.78Å; W504-F512 AromaticContact CH2-CZ 3.52Å; W504-F512 HydrophobicContact CH2-CZ 3.52Å; W504-F512 HydrophobicContact CZ2-CZ 4.3Å; W504-F512 AromaticContact CZ3-CE2 3.66Å; W504-F512 HydrophobicContact CZ3-CE2 3.66Å; W504-F512 AromaticContact CZ3-CZ 3.92Å; W504-F512 HydrophobicContact CZ3-CZ 3.92Å
505	I	97.5	Very high	97	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-48.7	179.3	-65.3	165.9	0	0	0	110.3	F387 Y389 L481 L501 L502 S507 K508 K509	F387-I505 HydrophobicContact CD2-CD1 3.92Å; F387-I505 HydrophobicContact CE2-CD1 3.71Å; F387-I505 HydrophobicContact CE2-CG1 4.03Å; F387-I505 HydrophobicContact CZ-CG1 4.49Å; Y389-I505 HydrophobicContact CD1-CG2 3.94Å; Y389-I505 HydrophobicContact CD2-CD1 3.74Å; Y389-I505 HydrophobicContact CD2-CG2 3.9Å; Y389-I505 HydrophobicContact CE1-CG2 4.14Å; Y389-I505 HydrophobicContact CE2-CG2 4.07Å; Y389-I505 HydrophobicContact CG-CD1 3.96Å; Y389-I505 HydrophobicContact CG-CG2 3.83Å; L481-I505 HydrophobicContact CD1-CD1 3.98Å; L501-I505 HydrophobicContact CD1-CD1 3.92Å; L501-I505 HydrophobicContact CD1-CG1 4.19Å; L501-I505 HydrophobicContact CG-CD1 3.92Å; L501-I505 VanDerWaalsContact O-CG1 3.28Å; L501-I505 WeakPolarHBondContact O-CG1 3.39Å; L501-I505 PolarHBondContact O-N 3.21Å; L502-I505 PolarHBondContact O-N 2.69Å; I505-S507 VanDerWaalsContact C-N 3.26Å; I505-S507 PolarHBondContact O-N 3.11Å; I505-K508 CarbonylContact O-C 3.54Å; I505-K508 PolarHBondContact O-N 3.02Å; I505-K509 PolarHBondContact O-N 2.83Å
506	E	96.1	Very high	96.7	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-34.1	179.8	-67.4	-62.9	156.5	0	0	111.7	Y389 L502 K508 K509	Y389-E506 PolarHBondContact OH-OE1 3.41Å; L502-E506 HydrophobicContact CD1-CG 4.06Å; L502-E506 HydrophobicContact CG-CG 4.41Å; L502-E506 WeakPolarHBondContact O-CG 3.34Å; L502-E506 PolarHBondContact O-N 2.98Å; E506-K508 PolarHBondContact O-N 2.86Å; E506-K509 WeakPolarHBondContact O-CB 3.4Å; E506-K509 PolarHBondContact O-N 3.16Å; E506-K509 IonicContact OE1-NZ 3.07Å; E506-K509 IonicContact OE2-NZ 2.9Å; E506-K509 PolarHBondContact OE2-NZ 2.75Å
507	S	96.8	Very high	96.3	Very high	87 Å²	87	57.2 Å²	57.2	61%	0.608	28%	0.284	S	S	*	.	H	α-helix	trans	-64.2	-19.6	175.2	78.1	0	0	0	0	114	K503 W504 I505	K503-S507 WeakPolarHBondContact O-CB 3.34Å; K503-S507 PolarHBondContact O-N 3.41Å; W504-S507 PolarHBondContact O-N 2.78Å; W504-S507 PolarHBondContact O-OG 3.3Å; I505-S507 VanDerWaalsContact C-N 3.26Å; I505-S507 PolarHBondContact O-N 3.11Å
508	K	96.3	Very high	96.1	Very high	65 Å²	65	58.7 Å²	58.7	28%	0.283	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	14.2	-178.3	-66.6	-176.1	179.5	-178.2	0	112.9	W504 I505 E506 T510 R511 F512	W504-K508 HydrophobicContact CD2-CD 4.33Å; W504-K508 VanDerWaalsContact CE2-NZ 3.28Å; W504-K508 HydrophobicContact CH2-CD 4.09Å; W504-K508 HydrophobicContact CZ2-CD 3.68Å; W504-K508 PolarHBondContact O-N 2.73Å; I505-K508 CarbonylContact O-C 3.54Å; I505-K508 PolarHBondContact O-N 3.02Å; E506-K508 PolarHBondContact O-N 2.86Å; K508-T510 PolarHBondContact O-N 3.25Å; K508-R511 WeakPolarHBondContact O-CA 3.47Å; K508-R511 WeakPolarHBondContact O-CB 3.44Å; K508-R511 PolarHBondContact O-N 3.18Å; K508-F512 HydrophobicContact CB-CD2 3.79Å; K508-F512 HydrophobicContact CB-CE1 4.43Å; K508-F512 HydrophobicContact CB-CE2 3.33Å; K508-F512 HydrophobicContact CB-CZ 3.7Å; K508-F512 HydrophobicContact CD-CE2 3.98Å; K508-F512 HydrophobicContact CD-CZ 3.63Å; K508-F512 HydrophobicContact CG-CE2 4.27Å; K508-F512 HydrophobicContact CG-CZ 4.31Å; K508-F512 PolarHBondContact O-N 3.27Å; K508-F512 VanDerWaalsContact O-N 3.11Å
509	K	96	Very high	95.9	Very high	62 Å²	62	59.2 Å²	59.2	27%	0.27	30%	0.304	S	S	.	.	H	α-helix	trans	-55.3	-45.5	-172.8	-164.4	-176.6	-159.3	137.8	0	113.9	I505 E506 R511 F512 F513 L515	I505-K509 PolarHBondContact O-N 2.83Å; E506-K509 WeakPolarHBondContact O-CB 3.4Å; E506-K509 PolarHBondContact O-N 3.16Å; E506-K509 IonicContact OE1-NZ 3.07Å; E506-K509 IonicContact OE2-NZ 2.9Å; E506-K509 PolarHBondContact OE2-NZ 2.75Å; K509-R511 PolarHBondContact O-N 3.44Å; K509-F512 PolarHBondContact O-N 3.22Å; K509-F513 HydrophobicContact CG-CD2 3.72Å; K509-F513 HydrophobicContact CG-CE2 4.3Å; K509-F513 WeakPolarHBondContact O-CD2 3.23Å; K509-F513 PolarHBondContact O-N 3.41Å; K509-L515 HydrophobicContact CG-CD2 4.27Å
510	T	96.1	Very high	95.6	Very high	60 Å²	60	56.6 Å²	56.6	37%	0.368	29%	0.293	S	S	.	.	H	α-helix	trans	-66.3	-22.1	179.4	57.8	0	0	0	0	113	K508 L515	K508-T510 PolarHBondContact O-N 3.25Å; T510-L515 HydrophobicContact CG2-CD1 3.85Å
511	R	96.8	Very high	95.5	Very high	114 Å²	114	54.7 Å²	54.7	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-80.7	-43.5	174.4	-179.6	177.7	172.9	148.7	-3.6	111.9	P236 L237 R242 K508 K509	P236-R511 HydrophobicContact CB-CG 4.44Å; L237-R511 PolarHBondContact N-O 2.75Å; L237-R511 VanDerWaalsContact O-CA 3.28Å; L237-R511 WeakPolarHBondContact O-CA 3.46Å; R242-R511 PolarHBondContact NH2-O 2.83Å; K508-R511 WeakPolarHBondContact O-CA 3.47Å; K508-R511 WeakPolarHBondContact O-CB 3.44Å; K508-R511 PolarHBondContact O-N 3.18Å; K509-R511 PolarHBondContact O-N 3.44Å
512	F	96.9	Very high	95.4	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-82.2	-26.4	-173	-62.2	-32.6	0	0	0	114.3	P236 P374 I398 W504 K508 K509	P236-F512 HydrophobicContact CB-CD1 4.12Å; P236-F512 HydrophobicContact CB-CE1 4.38Å; P236-F512 HydrophobicContact CG-CD1 4.37Å; P374-F512 HydrophobicContact CB-CZ 4.33Å; P374-F512 HydrophobicContact CG-CE1 4.43Å; P374-F512 HydrophobicContact CG-CZ 4.27Å; I398-F512 HydrophobicContact CB-CB 4.35Å; I398-F512 HydrophobicContact CD1-CB 4.47Å; I398-F512 HydrophobicContact CD1-CD1 4.12Å; I398-F512 HydrophobicContact CD1-CG 4.36Å; I398-F512 HydrophobicContact CG1-CB 4.29Å; I398-F512 HydrophobicContact CG1-CD1 4.13Å; I398-F512 HydrophobicContact CG1-CD2 4.33Å; I398-F512 HydrophobicContact CG1-CG 4.02Å; I398-F512 HydrophobicContact CG2-CD2 4.33Å; W504-F512 HydrophobicContact CE3-CE2 4.5Å; W504-F512 AromaticContact CH2-CE2 3.78Å; W504-F512 HydrophobicContact CH2-CE2 3.78Å; W504-F512 AromaticContact CH2-CZ 3.52Å; W504-F512 HydrophobicContact CH2-CZ 3.52Å; W504-F512 HydrophobicContact CZ2-CZ 4.3Å; W504-F512 AromaticContact CZ3-CE2 3.66Å; W504-F512 HydrophobicContact CZ3-CE2 3.66Å; W504-F512 AromaticContact CZ3-CZ 3.92Å; W504-F512 HydrophobicContact CZ3-CZ 3.92Å; K508-F512 HydrophobicContact CB-CD2 3.79Å; K508-F512 HydrophobicContact CB-CE1 4.43Å; K508-F512 HydrophobicContact CB-CE2 3.33Å; K508-F512 HydrophobicContact CB-CZ 3.7Å; K508-F512 HydrophobicContact CD-CE2 3.98Å; K508-F512 HydrophobicContact CD-CZ 3.63Å; K508-F512 HydrophobicContact CG-CE2 4.27Å; K508-F512 HydrophobicContact CG-CZ 4.31Å; K508-F512 PolarHBondContact O-N 3.27Å; K508-F512 VanDerWaalsContact O-N 3.11Å; K509-F512 PolarHBondContact O-N 3.22Å
513	F	97.8	Very high	95.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	31%	0.307	C	S	.	.	S	Bend	trans	-125.1	148.8	-171.7	-55.7	-63.1	0	0	0	112.7	Y389 Q396 I398 K509 L515	Y389-F513 HydrophobicContact CD1-CE2 4.18Å; Y389-F513 AromaticContact CD1-CZ 3.63Å; Y389-F513 HydrophobicContact CD1-CZ 3.63Å; Y389-F513 AromaticContact CE1-CE2 3.93Å; Y389-F513 HydrophobicContact CE1-CE2 3.93Å; Y389-F513 AromaticContact CE1-CZ 3.78Å; Y389-F513 HydrophobicContact CE1-CZ 3.78Å; Q396-F513 HydrophobicContact CB-CD1 3.63Å; Q396-F513 HydrophobicContact CB-CE1 4.14Å; Q396-F513 VanDerWaalsContact OE1-CA 3.23Å; I398-F513 HydrophobicContact CB-CE1 4.26Å; I398-F513 HydrophobicContact CB-CZ 4.17Å; I398-F513 HydrophobicContact CG2-CE1 4.31Å; I398-F513 HydrophobicContact CG2-CZ 3.74Å; K509-F513 HydrophobicContact CG-CD2 3.72Å; K509-F513 HydrophobicContact CG-CE2 4.3Å; K509-F513 WeakPolarHBondContact O-CD2 3.23Å; K509-F513 PolarHBondContact O-N 3.41Å; F513-L515 HydrophobicContact CB-CD2 3.84Å; F513-L515 PolarHBondContact O-N 3.1Å
514	I	96.8	Very high	95.1	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.283	C	S	.	.			trans	-84.4	99.2	167.3	-50.8	178.4	0	0	0	107.1	C234 I269 I272 I394 Q396	C234-I514 HydrophobicContact CB-CG1 4.26Å; I269-I514 HydrophobicContact CB-CD1 4.09Å; I269-I514 HydrophobicContact CG2-CD1 3.53Å; I272-I514 HydrophobicContact CG2-CD1 4.28Å; I272-I514 HydrophobicContact CG2-CG2 4.46Å; I394-I514 WeakPolarHBondContact CG2-O 3.04Å; Q396-I514 PolarHBondContact NE2-O 3.15Å
515	L	94.5	Very high	94.9	Very high	87 Å²	87	53.9 Å²	53.9	46%	0.455	29%	0.293	S	S	.	.			trans	-81.2	-22.2	-176.5	-56.2	-175.4	0	0	0	113.5	I394 K509 T510 F513	I394-L515 HydrophobicContact CD1-CD2 3.4Å; I394-L515 VanDerWaalsContact CD1-CD2 3.4Å; K509-L515 HydrophobicContact CG-CD2 4.27Å; T510-L515 HydrophobicContact CG2-CD1 3.85Å; F513-L515 HydrophobicContact CB-CD2 3.84Å; F513-L515 PolarHBondContact O-N 3.1Å
516	S	90.7	Very high	94.8	Very high	96 Å²	96	57.4 Å²	57.4	67%	0.671	31%	0.312	S	S	*	.			trans	-144.2	134	177.3	61.2	0	0	0	0	110.1
517	S	89.6	Confident	94.7	Very high	37 Å²	37	56.7 Å²	56.7	26%	0.259	31%	0.312	S	S	.	.			trans	-111.5	117.2	174.3	-51.9	0	0	0	0	108.6	I272	I272-S517 WeakPolarHBondContact CG2-OG 3.17Å; I272-S517 WeakPolarHBondContact O-CB 3.22Å
518	P	93.8	Very high	94.5	Very high	41 Å²	41	54.4 Å²	54.4	27%	0.266	29%	0.289	S	S	.	.			trans	-65.7	159	179.2	28.6	-34.3	0	0	0	110.9	C250 V273 R274	C250-P518 HydrophobicContact CB-CG 4.46Å; V273-P518 WeakPolarHBondContact CA-O 3.21Å; V273-P518 HydrophobicContact CG1-CG 4.26Å; V273-P518 WeakPolarHBondContact CG1-O 3.24Å; V273-P518 HydrophobicContact CG2-CG 3.94Å; R274-P518 PolarHBondContact N-O 3.33Å
519	T	93.4	Very high	94.3	Very high	65 Å²	65	53.5 Å²	53.5	40%	0.399	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-103.2	147.4	170.4	58.8	0	0	0	0	110.4	C250 R274 K276	C250-T519 PolarHBondContact SG-O 3.46Å; R274-T519 HydrophobicContact CG-CG2 4.4Å; R274-T519 WeakPolarHBondContact O-CA 3.43Å; R274-T519 WeakPolarHBondContact O-CB 3.49Å; K276-T519 HydrophobicContact CB-CG2 4.39Å
520	F	89.7	Confident	94.2	Very high	70 Å²	70	52.7 Å²	52.7	31%	0.307	29%	0.291	S	S	.	.			trans	-53.1	0	177.5	-61.9	-62	0	0	0	114.3	A253 L258 V273 R274	A253-F520 HydrophobicContact CB-CD1 4.21Å; A253-F520 HydrophobicContact CB-CE1 3.71Å; A253-F520 WeakPolarHBondContact O-CD1 3.18Å; A253-F520 WeakPolarHBondContact O-CE1 3.44Å; L258-F520 HydrophobicContact CB-CE2 4.49Å; L258-F520 HydrophobicContact CD2-CD1 4.25Å; L258-F520 HydrophobicContact CD2-CE1 3.6Å; L258-F520 HydrophobicContact CD2-CE2 3.91Å; L258-F520 HydrophobicContact CD2-CZ 3.4Å; L258-F520 VanDerWaalsContact CD2-CZ 3.4Å; L258-F520 HydrophobicContact CG-CE1 4.39Å; L258-F520 HydrophobicContact CG-CE2 3.8Å; L258-F520 HydrophobicContact CG-CZ 3.7Å; V273-F520 HydrophobicContact CB-CD1 4.36Å; V273-F520 HydrophobicContact CB-CE1 3.79Å; V273-F520 HydrophobicContact CB-CZ 4.14Å; V273-F520 HydrophobicContact CG1-CD1 3.47Å; V273-F520 VanDerWaalsContact CG1-CD1 3.47Å; V273-F520 HydrophobicContact CG1-CE1 3.4Å; V273-F520 VanDerWaalsContact CG1-CE1 3.4Å; V273-F520 HydrophobicContact CG1-CG 4.1Å; V273-F520 HydrophobicContact CG1-CZ 4Å; R274-F520 PolarHBondContact O-N 2.86Å

Retrieved 520 of 520 residues in 111 ms (Link to these results)

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