A0A077ZFE4_TRITR Loading...

PAB dependent poly(A) specific ribonuclease

AlphaFold DB , UniProt , Accession A0A077ZFE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 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	26.4	Very low	28.8	Very low	242 Å²	242	97.9 Å²	97.9	100%	1.192	56%	0.561	S	S	*	*				0	107.4	0	-70.7	-164.4	-89.8	0	0	107.2
2	L	27.5	Very low	28.6	Very low	158 Å²	158	103.7 Å²	103.7	83%	0.827	59%	0.589	S	S	*	*			cis	-140.8	110.5	5.2	-85.3	144.1	0	0	0	105
3	A	22.2	Very low	28.5	Very low	92 Å²	92	106.9 Å²	106.9	76%	0.76	60%	0.603	S	S	*	*			trans	-96.4	95.6	165.6	0	0	0	0	0	105.5
4	S	24.8	Very low	28.4	Very low	75 Å²	75	113.6 Å²	113.6	52%	0.524	63%	0.626	S	S	.	*			trans	-150.5	138.4	174.5	66.7	0	0	0	0	110.6
5	Q	28.7	Very low	28.4	Very low	162 Å²	162	110.5 Å²	110.5	76%	0.757	63%	0.631	S	S	*	*			trans	96.8	105.8	154.9	-59.8	168	2.7	0	0	117.6	S7	Q5-S7 PolarHBondContact O-N 3.23Å
6	Y	27.5	Very low	28.3	Very low	101 Å²	101	116.3 Å²	116.3	40%	0.396	65%	0.647	S	S	.	*			trans	-55.1	123.1	168.8	-76.7	-110	0	0	0	109.8	L22 Q26	Y6-L22 HydrophobicContact CD2-CD1 4.44Å; Y6-L22 HydrophobicContact CD2-CD2 3.58Å; Y6-L22 HydrophobicContact CD2-CG 4.48Å; Y6-L22 HydrophobicContact CE2-CB 3.94Å; Y6-L22 HydrophobicContact CE2-CD1 3.38Å; Y6-L22 HydrophobicContact CE2-CD2 2.99Å; Y6-L22 HydrophobicContact CE2-CG 3.51Å; Y6-L22 WeakPolarHBondContact OH-CB 3.44Å; Y6-Q26 HydrophobicContact CE1-CG 3.62Å; Y6-Q26 VanDerWaalsContact CE1-NE2 3.29Å; Y6-Q26 PolarHBondContact OH-NE2 2.73Å; Y6-Q26 PolarHBondContact OH-OE1 3.33Å
7	S	32.6	Very low	28.2	Very low	62 Å²	62	118.6 Å²	118.6	43%	0.434	66%	0.657	S	S	.	*			trans	-109.3	118	171.9	175.6	0	0	0	0	109.9	Q5 Y9 G10	Q5-S7 PolarHBondContact O-N 3.23Å; S7-Y9 PolarHBondContact O-N 3.41Å; S7-G10 PolarHBondContact O-N 2.95Å
8	N	40.7	Very low	28	Very low	89 Å²	89	125.7 Å²	125.7	48%	0.476	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.3	18.1	175.1	-80	-53.1	0	0	0	114	I51	N8-I51 CarbonylContact C-O 3.57Å; N8-I51 VanDerWaalsContact CA-O 3.28Å; N8-I51 WeakPolarHBondContact CA-O 3.31Å
9	Y	29.1	Very low	28.1	Very low	5 Å²	5	123.1 Å²	123.1	2%	0.02	66%	0.663	C	S	.	*	T	Hydrogen-bonded Turn	trans	-155.4	46.3	168.1	-80.4	-91.6	0	0	0	112.2	S7 I51 F54 F136 S139 A140 L203 N213	S7-Y9 PolarHBondContact O-N 3.41Å; Y9-I51 HydrophobicContact CD1-CD1 3.99Å; Y9-I51 HydrophobicContact CE1-CD1 3.8Å; Y9-F54 HydrophobicContact CE2-CZ 4.45Å; Y9-F136 HydrophobicContact CD1-CD2 4.45Å; Y9-F136 AromaticContact CD1-CE2 3.93Å; Y9-F136 HydrophobicContact CD1-CE2 3.93Å; Y9-S139 PolarHBondContact O-N 3.1Å; Y9-A140 WeakPolarHBondContact CB-O 3.32Å; Y9-A140 HydrophobicContact CD2-CB 4.37Å; Y9-A140 WeakPolarHBondContact CD2-O 3.22Å; Y9-A140 HydrophobicContact CG-CB 4.2Å; Y9-A140 VanDerWaalsContact CG-O 3.29Å; Y9-L203 HydrophobicContact CD2-CD2 4.2Å; Y9-L203 HydrophobicContact CE1-CD1 4.48Å; Y9-L203 HydrophobicContact CE2-CD1 4.35Å; Y9-L203 HydrophobicContact CE2-CD2 3.49Å; Y9-L203 VanDerWaalsContact CE2-CD2 3.49Å; Y9-N213 PolarHBondContact OH-ND2 3.31Å
10	G	30	Very low	28.2	Very low	49 Å²	49	119.5 Å²	119.5	51%	0.505	66%	0.656	S	S	.	*			trans	-153.7	96.7	179.9	0	0	0	0	0	112.9	S7 D12	S7-G10 PolarHBondContact O-N 2.95Å; G10-D12 PolarHBondContact O-N 2.94Å
11	C	27	Very low	28.5	Very low	42 Å²	42	122.1 Å²	122.1	28%	0.284	66%	0.664	S	S	.	*			trans	-77	110	172	-156.7	0	0	0	0	107.2	C49 K62	C11-C49 HydrophobicContact CB-CB 4.36Å; C11-C49 WeakPolarHBondContact CB-SG 3.37Å; C11-C49 WeakPolarHBondContact SG-CB 3.44Å; C11-C49 CovalentContact SG-SG 2.09Å; C11-C49 PolarHBondContact SG-SG 2.91Å; C11-K62 HydrophobicContact CB-CD 4.45Å
12	D	26.4	Very low	29	Very low	167 Å²	167	113.9 Å²	113.9	89%	0.893	62%	0.624	S	S	*	*			trans	-109.4	93.2	157.6	-107.7	-7.5	0	0	0	107.1	G10	G10-D12 PolarHBondContact O-N 2.94Å
13	L	28.4	Very low	29.3	Very low	146 Å²	146	110.3 Å²	110.3	76%	0.764	61%	0.605	S	S	*	*			trans	-114.4	60.3	177.9	-122.1	157.1	0	0	0	108.2
14	Q	26.8	Very low	30	Very low	200 Å²	200	110 Å²	110	94%	0.935	60%	0.598	S	S	*	*	S	Bend	trans	-164.7	78.1	162.7	-108.7	174	16.9	0	0	109.8
15	G	27.5	Very low	30.6	Very low	67 Å²	67	109.5 Å²	109.5	69%	0.691	60%	0.598	S	S	*	*			trans	176.3	98.7	174.3	0	0	0	0	0	111.7	L17	G15-L17 PolarHBondContact O-N 2.81Å
16	K	27.5	Very low	31.1	Very low	204 Å²	204	105.6 Å²	105.6	89%	0.887	58%	0.58	S	S	*	*			trans	-41.9	127.6	161.4	-73.8	170.4	173.5	173.2	0	108.5
17	L	27.3	Very low	31.3	Very low	156 Å²	156	105 Å²	105	82%	0.817	58%	0.581	S	S	*	*			trans	179.4	107.6	153.9	-88.6	142.5	0	0	0	107.4	G15	G15-L17 PolarHBondContact O-N 2.81Å
18	R	24.2	Very low	31.3	Very low	246 Å²	246	111.5 Å²	111.5	93%	0.928	60%	0.595	S	S	*	*				53.8	75.7	82.3	-65.9	-170.2	179.1	-162.9	0.6	113.4
19	C	29.9	Very low	31.1	Very low	75 Å²	75	111.1 Å²	111.1	51%	0.507	59%	0.593	S	S	.	*			trans	-156	119.1	150.5	-155.2	0	0	0	0	111	H21	C19-H21 PolarHBondContact O-N 2.78Å
20	G	29.7	Very low	31.4	Very low	51 Å²	51	114.6 Å²	114.6	53%	0.526	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.7	-9.1	-165.8	0	0	0	0	0	117.1
21	H	33.8	Very low	31.6	Very low	176 Å²	176	118.8 Å²	118.8	82%	0.815	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-0.3	-167.8	-73.8	-114	0	0	0	114.5	C19	C19-H21 PolarHBondContact O-N 2.78Å
22	L	37.3	Very low	32.2	Very low	68 Å²	68	121.8 Å²	121.8	36%	0.356	63%	0.634	S	S	.	*	S	Bend	trans	-106.9	-2.8	178.7	-70.4	149.3	0	0	0	113.6	Y6 S24 Q26	Y6-L22 HydrophobicContact CD2-CD1 4.44Å; Y6-L22 HydrophobicContact CD2-CD2 3.58Å; Y6-L22 HydrophobicContact CD2-CG 4.48Å; Y6-L22 HydrophobicContact CE2-CB 3.94Å; Y6-L22 HydrophobicContact CE2-CD1 3.38Å; Y6-L22 HydrophobicContact CE2-CD2 2.99Å; Y6-L22 HydrophobicContact CE2-CG 3.51Å; Y6-L22 WeakPolarHBondContact OH-CB 3.44Å; L22-S24 PolarHBondContact O-N 2.89Å; L22-Q26 WeakPolarHBondContact O-CB 3.35Å; L22-Q26 PolarHBondContact O-N 3.46Å; L22-Q26 PolarHBondContact O-OE1 3.2Å
23	L	33.8	Very low	32.9	Very low	84 Å²	84	118.5 Å²	118.5	44%	0.44	61%	0.612	S	S	.	*	H	α-helix	trans	-66.1	-34.7	-179.5	-89.3	155.5	0	0	0	111.9	Q27	L23-Q27 HydrophobicContact CD2-CG 4.32Å; L23-Q27 WeakPolarHBondContact O-CA 3.48Å; L23-Q27 WeakPolarHBondContact O-CB 3.47Å; L23-Q27 WeakPolarHBondContact O-CG 3.25Å; L23-Q27 PolarHBondContact O-N 3.08Å; L23-Q27 PolarHBondContact O-OE1 3.48Å
24	S	36.4	Very low	33.6	Very low	85 Å²	85	116.5 Å²	116.5	59%	0.594	60%	0.602	S	S	*	*	H	α-helix	trans	-73.5	-40.8	-172.4	63.8	0	0	0	0	114.7	L22 R28	L22-S24 PolarHBondContact O-N 2.89Å; S24-R28 WeakPolarHBondContact O-CB 3.44Å; S24-R28 WeakPolarHBondContact O-CG 3.41Å; S24-R28 PolarHBondContact O-N 2.9Å; S24-R28 VanDerWaalsContact O-N 3.11Å
25	A	38.2	Very low	34.6	Very low	64 Å²	64	109.7 Å²	109.7	53%	0.529	57%	0.569	S	S	.	*	H	α-helix	trans	-79.5	-37.9	177.2	0	0	0	0	0	112	R28 I29	A25-R28 PolarHBondContact O-N 3.46Å; A25-I29 PolarHBondContact O-N 3.22Å
26	Q	38.2	Very low	35.6	Very low	81 Å²	81	113.3 Å²	113.3	38%	0.379	57%	0.573	S	S	.	*	H	α-helix	trans	-66	-39.4	170.2	-77.5	-175.3	-63.4	0	0	112	Y6 L22 R28 I29 L30	Y6-Q26 HydrophobicContact CE1-CG 3.62Å; Y6-Q26 VanDerWaalsContact CE1-NE2 3.29Å; Y6-Q26 PolarHBondContact OH-NE2 2.73Å; Y6-Q26 PolarHBondContact OH-OE1 3.33Å; L22-Q26 WeakPolarHBondContact O-CB 3.35Å; L22-Q26 PolarHBondContact O-N 3.46Å; L22-Q26 PolarHBondContact O-OE1 3.2Å; Q26-R28 VanDerWaalsContact C-N 3.35Å; Q26-I29 PolarHBondContact O-N 3.11Å; Q26-L30 HydrophobicContact CB-CD1 4.08Å; Q26-L30 VanDerWaalsContact O-CB 3.22Å; Q26-L30 WeakPolarHBondContact O-CB 3.39Å; Q26-L30 VanDerWaalsContact O-CD1 3.25Å; Q26-L30 WeakPolarHBondContact O-CD1 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.42Å; Q26-L30 PolarHBondContact O-N 3.42Å
27	Q	32.9	Very low	37.3	Very low	89 Å²	89	107.7 Å²	107.7	42%	0.416	56%	0.559	S	S	.	*	H	α-helix	trans	-69.2	-32.3	177.2	-78.9	165	-47.7	0	0	112.2	L23 I29 L30 N31	L23-Q27 HydrophobicContact CD2-CG 4.32Å; L23-Q27 WeakPolarHBondContact O-CA 3.48Å; L23-Q27 WeakPolarHBondContact O-CB 3.47Å; L23-Q27 WeakPolarHBondContact O-CG 3.25Å; L23-Q27 PolarHBondContact O-N 3.08Å; L23-Q27 PolarHBondContact O-OE1 3.48Å; Q27-I29 VanDerWaalsContact C-N 3.3Å; Q27-I29 PolarHBondContact O-N 2.89Å; Q27-L30 HydrophobicContact CG-CD1 4.44Å; Q27-N31 WeakPolarHBondContact O-CB 3.23Å; Q27-N31 PolarHBondContact O-N 3.28Å; Q27-N31 PolarHBondContact O-ND2 3.38Å; Q27-N31 PolarHBondContact O-OD1 2.81Å
28	R	32.6	Very low	39.7	Very low	197 Å²	197	103 Å²	103	74%	0.743	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-32.7	171.4	-82.5	177.4	157.3	-179.9	-4.9	113	S24 A25 Q26 I32	S24-R28 WeakPolarHBondContact O-CB 3.44Å; S24-R28 WeakPolarHBondContact O-CG 3.41Å; S24-R28 PolarHBondContact O-N 2.9Å; S24-R28 VanDerWaalsContact O-N 3.11Å; A25-R28 PolarHBondContact O-N 3.46Å; Q26-R28 VanDerWaalsContact C-N 3.35Å; R28-I32 VanDerWaalsContact O-CD1 3.25Å; R28-I32 WeakPolarHBondContact O-CD1 3.45Å; R28-I32 VanDerWaalsContact O-CG1 3.24Å; R28-I32 WeakPolarHBondContact O-CG1 3.27Å
29	I	36.6	Very low	42.6	Very low	82 Å²	82	92.2 Å²	92.2	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-84.5	-37.4	176.3	-63.8	170.6	0	0	0	111.5	A25 Q26 Q27 N31 I32 F33 F35 Y53	A25-I29 PolarHBondContact O-N 3.22Å; Q26-I29 PolarHBondContact O-N 3.11Å; Q27-I29 VanDerWaalsContact C-N 3.3Å; Q27-I29 PolarHBondContact O-N 2.89Å; I29-N31 VanDerWaalsContact C-N 3.28Å; I29-N31 PolarHBondContact O-N 3.17Å; I29-I32 PolarHBondContact O-N 3.45Å; I29-F33 PolarHBondContact O-N 3.09Å; I29-F35 HydrophobicContact CG2-CE2 4.46Å; I29-F35 HydrophobicContact CG2-CZ 4.39Å; I29-Y53 HydrophobicContact CG2-CD2 4.3Å; I29-Y53 HydrophobicContact CG2-CE2 3.81Å
30	L	35.6	Very low	45.3	Very low	77 Å²	77	97.3 Å²	97.3	40%	0.403	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-28.9	172.2	-71.9	156.5	0	0	0	112.6	Q26 Q27 F35	Q26-L30 HydrophobicContact CB-CD1 4.08Å; Q26-L30 VanDerWaalsContact O-CB 3.22Å; Q26-L30 WeakPolarHBondContact O-CB 3.39Å; Q26-L30 VanDerWaalsContact O-CD1 3.25Å; Q26-L30 WeakPolarHBondContact O-CD1 3.23Å; Q26-L30 WeakPolarHBondContact O-CG 3.42Å; Q26-L30 PolarHBondContact O-N 3.42Å; Q27-L30 HydrophobicContact CG-CD1 4.44Å; L30-F35 HydrophobicContact CB-CD2 4.25Å; L30-F35 HydrophobicContact CB-CE2 4.25Å; L30-F35 HydrophobicContact CD2-CB 4.18Å; L30-F35 HydrophobicContact CD2-CD2 3.1Å; L30-F35 HydrophobicContact CD2-CE2 3.46Å; L30-F35 VanDerWaalsContact CD2-CE2 3.46Å; L30-F35 HydrophobicContact CD2-CG 3.73Å; L30-F35 HydrophobicContact CD2-CZ 4.34Å; L30-F35 HydrophobicContact CG-CD2 3.96Å; L30-F35 HydrophobicContact CG-CE2 3.87Å
31	N	33.4	Very low	48.2	Very low	137 Å²	137	100.3 Å²	100.3	73%	0.733	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.2	177.2	-71.6	-11.6	0	0	0	113.4	Q27 I29	Q27-N31 WeakPolarHBondContact O-CB 3.23Å; Q27-N31 PolarHBondContact O-N 3.28Å; Q27-N31 PolarHBondContact O-ND2 3.38Å; Q27-N31 PolarHBondContact O-OD1 2.81Å; I29-N31 VanDerWaalsContact C-N 3.28Å; I29-N31 PolarHBondContact O-N 3.17Å
32	I	40.4	Very low	50.9	Low	106 Å²	106	91.9 Å²	91.9	54%	0.544	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-29.4	179.3	-63.7	166.9	0	0	0	111.1	R28 I29	R28-I32 VanDerWaalsContact O-CD1 3.25Å; R28-I32 WeakPolarHBondContact O-CD1 3.45Å; R28-I32 VanDerWaalsContact O-CG1 3.24Å; R28-I32 WeakPolarHBondContact O-CG1 3.27Å; I29-I32 PolarHBondContact O-N 3.45Å
33	F	40.3	Very low	53.5	Low	97 Å²	97	92.6 Å²	92.6	43%	0.425	47%	0.473	S	S	.	.	S	Bend	trans	-139.6	122.5	174	-78.2	-82.3	0	0	0	111	I29 F35	I29-F33 PolarHBondContact O-N 3.09Å; F33-F35 WeakPolarHBondContact O-CD2 3.46Å; F33-F35 PolarHBondContact O-N 3.01Å
34	N	42.3	Very low	56.3	Low	105 Å²	105	90.2 Å²	90.2	56%	0.561	46%	0.46	S	S	*	.			trans	-66.8	96.1	-178.4	-153.5	-4.6	0	0	0	109.9	N36 C37	N34-N36 PolarHBondContact O-N 3.25Å; N34-N36 PolarHBondContact OD1-ND2 2.83Å; N34-C37 PolarHBondContact O-N 3.35Å
35	F	49.4	Very low	59	Low	56 Å²	56	86.3 Å²	86.3	25%	0.246	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-58.8	-14.4	178.3	-76	-94.4	0	0	0	113.2	I29 L30 F33 C37 P50 Y53	I29-F35 HydrophobicContact CG2-CE2 4.46Å; I29-F35 HydrophobicContact CG2-CZ 4.39Å; L30-F35 HydrophobicContact CB-CD2 4.25Å; L30-F35 HydrophobicContact CB-CE2 4.25Å; L30-F35 HydrophobicContact CD2-CB 4.18Å; L30-F35 HydrophobicContact CD2-CD2 3.1Å; L30-F35 HydrophobicContact CD2-CE2 3.46Å; L30-F35 VanDerWaalsContact CD2-CE2 3.46Å; L30-F35 HydrophobicContact CD2-CG 3.73Å; L30-F35 HydrophobicContact CD2-CZ 4.34Å; L30-F35 HydrophobicContact CG-CD2 3.96Å; L30-F35 HydrophobicContact CG-CE2 3.87Å; F33-F35 WeakPolarHBondContact O-CD2 3.46Å; F33-F35 PolarHBondContact O-N 3.01Å; F35-C37 PolarHBondContact O-N 2.63Å; F35-P50 HydrophobicContact CD1-CG 3.96Å; F35-P50 HydrophobicContact CE1-CB 3.89Å; F35-P50 HydrophobicContact CE1-CG 3.67Å; F35-Y53 WeakPolarHBondContact CE1-OH 3.36Å; F35-Y53 HydrophobicContact CZ-CE2 4.24Å; F35-Y53 WeakPolarHBondContact CZ-OH 3.48Å
36	N	48.7	Very low	61.7	Low	144 Å²	144	87.7 Å²	87.7	77%	0.77	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-72.8	-0.3	174.1	-61.2	-38.9	0	0	0	114.2	N34	N34-N36 PolarHBondContact O-N 3.25Å; N34-N36 PolarHBondContact OD1-ND2 2.83Å
37	C	62.3	Low	64	Low	86 Å²	86	86.3 Å²	86.3	58%	0.581	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-122	26.9	-177.9	-59.9	0	0	0	0	113.4	N34 F35	N34-C37 PolarHBondContact O-N 3.35Å; F35-C37 PolarHBondContact O-N 2.63Å
38	L	78.7	Confident	66.7	Low	57 Å²	57	83.1 Å²	83.1	30%	0.298	42%	0.42	S	S	.	.			trans	-67.7	131.7	170.5	-70.8	175.5	0	0	0	109.7	E40 Y61 F115	L38-E40 PolarHBondContact O-N 3.03Å; L38-Y61 HydrophobicContact CD2-CD1 4.22Å; L38-Y61 HydrophobicContact CD2-CE1 3.57Å; L38-F115 HydrophobicContact CD2-CE1 4.43Å
39	P	85.2	Confident	69.3	Low	20 Å²	20	74.7 Å²	74.7	13%	0.13	39%	0.391	C	S	.	.			trans	-61.8	138	174	24.2	-32.6	0	0	0	110.3	R41 V42 L48 A114 F115	P39-R41 PolarHBondContact O-N 3.11Å; P39-V42 HydrophobicContact CB-CG2 3.98Å; P39-V42 HydrophobicContact CG-CG2 3.32Å; P39-L48 HydrophobicContact CG-CD2 4.44Å; P39-A114 HydrophobicContact CB-CB 3.9Å; P39-A114 WeakPolarHBondContact CB-O 3.41Å; P39-A114 HydrophobicContact CG-CB 4.16Å; P39-F115 HydrophobicContact CG-CD1 3.79Å; P39-F115 HydrophobicContact CG-CE1 3.87Å; P39-F115 HydrophobicContact CG-CG 4.26Å; P39-F115 HydrophobicContact CG-CZ 4.37Å
40	E	86.2	Confident	71.7	Confident	181 Å²	181	73 Å²	73	85%	0.846	39%	0.386	S	S	*	.	S	Bend	trans	-59.7	-35.2	175.6	-171.9	-179.9	-178	0	0	111.4	L38	L38-E40 PolarHBondContact O-N 3.03Å
41	R	89.1	Confident	73.9	Confident	114 Å²	114	69.9 Å²	69.9	43%	0.43	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138	-179.7	-173.9	176.1	178.8	-159.4	-7.5	111.2	P39 D43 D44 Y45	P39-R41 PolarHBondContact O-N 3.11Å; R41-D43 WeakPolarHBondContact CD-O 3.45Å; R41-D43 WeakPolarHBondContact CG-O 3.31Å; R41-D43 VanDerWaalsContact CZ-O 3.31Å; R41-D43 PolarHBondContact NE-O 2.97Å; R41-D43 PolarHBondContact NH2-O 3.48Å; R41-D44 IonicContact NH2-OD1 3.96Å; R41-D44 PolarHBondContact NH2-OD1 3.37Å; R41-Y45 CarbonylContact C-O 3.51Å; R41-Y45 WeakPolarHBondContact CA-O 3.46Å; R41-Y45 WeakPolarHBondContact CG-O 2.75Å
42	V	90.6	Very high	75.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.5	171.5	179.9	0	0	0	0	107.6	P39 D44 Y45 L48 F110 T112 A114 F115	P39-V42 HydrophobicContact CB-CG2 3.98Å; P39-V42 HydrophobicContact CG-CG2 3.32Å; V42-D44 PolarHBondContact O-N 3.11Å; V42-Y45 PolarHBondContact N-O 2.7Å; V42-Y45 WeakPolarHBondContact O-CB 3.14Å; V42-Y45 PolarHBondContact O-N 2.99Å; V42-L48 HydrophobicContact CG2-CD1 4.29Å; V42-L48 HydrophobicContact CG2-CD2 3.78Å; V42-F110 HydrophobicContact CG1-CE2 3.57Å; V42-F110 HydrophobicContact CG1-CZ 3.84Å; V42-T112 HydrophobicContact CG1-CG2 3.89Å; V42-A114 HydrophobicContact CG2-CB 4.15Å; V42-F115 HydrophobicContact CG1-CE2 4.13Å; V42-F115 HydrophobicContact CG2-CE1 4.48Å; V42-F115 HydrophobicContact CG2-CE2 3.97Å; V42-F115 HydrophobicContact CG2-CZ 3.88Å
43	D	91.8	Very high	76.5	Confident	82 Å²	82	62.7 Å²	62.7	44%	0.439	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-123.5	-171.8	-160.5	0.9	0	0	0	111	R41 Y45 F110	R41-D43 WeakPolarHBondContact CD-O 3.45Å; R41-D43 WeakPolarHBondContact CG-O 3.31Å; R41-D43 VanDerWaalsContact CZ-O 3.31Å; R41-D43 PolarHBondContact NE-O 2.97Å; R41-D43 PolarHBondContact NH2-O 3.48Å; D43-Y45 VanDerWaalsContact C-N 3.31Å; D43-Y45 PolarHBondContact O-N 3.5Å; D43-F110 HydrophobicContact CB-CD2 4.14Å; D43-F110 HydrophobicContact CB-CE1 4.24Å; D43-F110 HydrophobicContact CB-CE2 3.8Å; D43-F110 HydrophobicContact CB-CZ 3.84Å
44	D	93.2	Very high	77.1	Confident	34 Å²	34	59.4 Å²	59.4	18%	0.182	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	8.5	175.7	-78	-28.2	0	0	0	115.2	R41 V42 R66 R67	R41-D44 IonicContact NH2-OD1 3.96Å; R41-D44 PolarHBondContact NH2-OD1 3.37Å; V42-D44 PolarHBondContact O-N 3.11Å; D44-R66 VanDerWaalsContact O-CB 3.27Å; D44-R66 WeakPolarHBondContact O-CB 3.25Å; D44-R66 PolarHBondContact O-N 3.33Å; D44-R67 HydrophobicContact CB-CG 4.43Å; D44-R67 WeakPolarHBondContact OD2-CD 3.46Å; D44-R67 IonicContact OD2-CZ 3.07Å; D44-R67 IonicContact OD2-NE 3.42Å; D44-R67 PolarHBondContact OD2-NE 3.37Å
45	Y	94.3	Very high	77.5	Confident	3 Å²	3	57.2 Å²	57.2	1%	0.012	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.6	-175	-59.2	-88.9	0	0	0	112.4	R41 V42 D43 A63 V64 C65 Y72 L74 E108 F110 V133	R41-Y45 CarbonylContact C-O 3.51Å; R41-Y45 WeakPolarHBondContact CA-O 3.46Å; R41-Y45 WeakPolarHBondContact CG-O 2.75Å; V42-Y45 PolarHBondContact N-O 2.7Å; V42-Y45 WeakPolarHBondContact O-CB 3.14Å; V42-Y45 PolarHBondContact O-N 2.99Å; D43-Y45 VanDerWaalsContact C-N 3.31Å; D43-Y45 PolarHBondContact O-N 3.5Å; Y45-A63 HydrophobicContact CD1-CB 4.37Å; Y45-V64 WeakPolarHBondContact CA-O 3.45Å; Y45-C65 HydrophobicContact CD1-CB 4Å; Y45-C65 HydrophobicContact CE1-CB 3.66Å; Y45-Y72 AromaticContact CE1-CD2 3.75Å; Y45-Y72 HydrophobicContact CE1-CD2 3.75Å; Y45-Y72 HydrophobicContact CE1-CG 4.09Å; Y45-L74 HydrophobicContact CD1-CD1 3.72Å; Y45-L74 HydrophobicContact CD1-CD2 4.42Å; Y45-L74 HydrophobicContact CD2-CD2 4.27Å; Y45-L74 HydrophobicContact CE1-CD1 4.13Å; Y45-L74 HydrophobicContact CG-CD1 4.04Å; Y45-L74 HydrophobicContact CG-CD2 3.88Å; Y45-L74 HydrophobicContact CG-CG 4.38Å; Y45-E108 WeakPolarHBondContact CE2-OE1 3.47Å; Y45-E108 VanDerWaalsContact CZ-OE1 3.25Å; Y45-E108 PolarHBondContact OH-OE1 2.82Å; Y45-F110 HydrophobicContact CD2-CE1 4.09Å; Y45-F110 HydrophobicContact CD2-CZ 4.16Å; Y45-F110 AromaticContact CE2-CE1 3.84Å; Y45-F110 HydrophobicContact CE2-CE1 3.84Å; Y45-F110 HydrophobicContact CE2-CZ 4.38Å; Y45-V133 HydrophobicContact CE1-CG1 3.88Å; Y45-V133 HydrophobicContact CE1-CG2 4.48Å; Y45-V133 HydrophobicContact CE2-CG2 3.84Å; Y45-V133 WeakPolarHBondContact OH-CG1 3.32Å
46	F	93	Very high	77.3	Confident	93 Å²	93	65.7 Å²	65.7	41%	0.408	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	167.4	179.3	67	-80.7	0	0	0	111.2	V64 R66	F46-V64 HydrophobicContact CD1-CB 4.38Å; F46-V64 WeakPolarHBondContact CD1-O 3.48Å; F46-V64 HydrophobicContact CE1-CB 3.88Å; F46-V64 HydrophobicContact CE1-CG1 3.78Å; F46-V64 WeakPolarHBondContact CE1-O 3.3Å; F46-V64 HydrophobicContact CE2-CB 4.14Å; F46-V64 HydrophobicContact CE2-CG1 4.38Å; F46-V64 HydrophobicContact CZ-CB 3.75Å; F46-V64 HydrophobicContact CZ-CG1 3.59Å; F46-V64 PolarHBondContact N-O 2.84Å; F46-V64 PolarHBondContact O-N 2.9Å; F46-R66 HydrophobicContact CD1-CB 4.28Å; F46-R66 HydrophobicContact CE1-CB 4.17Å
47	G	88.4	Confident	78.4	Confident	53 Å²	53	63.1 Å²	63.1	55%	0.546	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.9	45.8	179	0	0	0	0	0	113.2	C49	G47-C49 PolarHBondContact O-N 3.49Å
48	L	89.4	Confident	79.2	Confident	21 Å²	21	59.4 Å²	59.4	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	116.4	-178.4	-78.8	73.5	0	0	0	111.1	P39 V42 Y61 K62 A63 F115	P39-L48 HydrophobicContact CG-CD2 4.44Å; V42-L48 HydrophobicContact CG2-CD1 4.29Å; V42-L48 HydrophobicContact CG2-CD2 3.78Å; L48-Y61 HydrophobicContact CD2-CG 4.31Å; L48-K62 CarbonylContact C-O 3.6Å; L48-K62 WeakPolarHBondContact CA-O 3.35Å; L48-A63 HydrophobicContact CD1-CB 4.18Å; L48-A63 HydrophobicContact CG-CB 4.18Å; L48-F115 HydrophobicContact CD2-CE1 3.89Å; L48-F115 HydrophobicContact CD2-CZ 3.8Å
49	C	87.1	Confident	79.5	Confident	20 Å²	20	56.7 Å²	56.7	14%	0.135	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.8	170.5	179	0	0	0	0	108.9	C11 G47 I51 Y61 K62	C11-C49 HydrophobicContact CB-CB 4.36Å; C11-C49 WeakPolarHBondContact CB-SG 3.37Å; C11-C49 WeakPolarHBondContact SG-CB 3.44Å; C11-C49 CovalentContact SG-SG 2.09Å; C11-C49 PolarHBondContact SG-SG 2.91Å; G47-C49 PolarHBondContact O-N 3.49Å; C49-I51 PolarHBondContact O-N 2.74Å; C49-Y61 CarbonylContact O-C 3.53Å; C49-Y61 VanDerWaalsContact O-CA 3.29Å; C49-Y61 WeakPolarHBondContact O-CA 3.41Å; C49-K62 HydrophobicContact CB-CB 4.35Å; C49-K62 PolarHBondContact N-O 3.02Å; C49-K62 PolarHBondContact O-N 2.77Å
50	P	86.2	Confident	79.6	Confident	47 Å²	47	55.8 Å²	55.8	31%	0.305	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133	177.6	27.9	-34.2	0	0	0	110.6	F35 Y61	F35-P50 HydrophobicContact CD1-CG 3.96Å; F35-P50 HydrophobicContact CE1-CB 3.89Å; F35-P50 HydrophobicContact CE1-CG 3.67Å; P50-Y61 HydrophobicContact CB-CD1 4.24Å; P50-Y61 HydrophobicContact CB-CE1 4.41Å
51	I	81.5	Confident	79.8	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-19.2	-178.8	55.7	175.3	0	0	0	113.5	N8 Y9 C49 A60 K62 C73 F136	N8-I51 CarbonylContact C-O 3.57Å; N8-I51 VanDerWaalsContact CA-O 3.28Å; N8-I51 WeakPolarHBondContact CA-O 3.31Å; Y9-I51 HydrophobicContact CD1-CD1 3.99Å; Y9-I51 HydrophobicContact CE1-CD1 3.8Å; C49-I51 PolarHBondContact O-N 2.74Å; I51-A60 HydrophobicContact CD1-CB 4.22Å; I51-A60 HydrophobicContact CG1-CB 3.8Å; I51-A60 WeakPolarHBondContact CG1-O 3.34Å; I51-A60 PolarHBondContact N-O 3.44Å; I51-K62 HydrophobicContact CG2-CB 3.78Å; I51-C73 HydrophobicContact CD1-CB 4.42Å; I51-F136 HydrophobicContact CD1-CD2 4.46Å; I51-F136 HydrophobicContact CD1-CE2 4.11Å
52	G	68.8	Low	80	Confident	5 Å²	5	45.2 Å²	45.2	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	166.4	173.4	0	0	0	0	0	114.5	A60	G52-A60 PolarHBondContact N-O 2.84Å; G52-A60 PolarHBondContact O-N 3.37Å
53	Y	59.3	Low	80.1	Confident	87 Å²	87	45.2 Å²	45.2	34%	0.341	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.6	176.1	-64.9	-91.1	0	0	0	109.1	I29 F35	I29-Y53 HydrophobicContact CG2-CD2 4.3Å; I29-Y53 HydrophobicContact CG2-CE2 3.81Å; F35-Y53 WeakPolarHBondContact CE1-OH 3.36Å; F35-Y53 HydrophobicContact CZ-CE2 4.24Å; F35-Y53 WeakPolarHBondContact CZ-OH 3.48Å
54	F	53	Low	80.2	Confident	29 Å²	29	43.2 Å²	43.2	13%	0.127	23%	0.234	C	C	.	.			trans	-125.3	82.2	-179.2	-63.3	-99	0	0	0	108.2	Y9 T58 A60 R75 T142 S200 K201	Y9-F54 HydrophobicContact CE2-CZ 4.45Å; F54-T58 WeakPolarHBondContact CB-OG1 3.49Å; F54-T58 PolarHBondContact N-O 2.87Å; F54-T58 VanDerWaalsContact N-O 3.14Å; F54-T58 PolarHBondContact O-OG1 3.29Å; F54-A60 HydrophobicContact CD2-CB 4.36Å; F54-A60 HydrophobicContact CE2-CB 4Å; F54-R75 VanDerWaalsContact CE2-NH2 3.27Å; F54-T142 HydrophobicContact CE1-CG2 4.37Å; F54-S200 WeakPolarHBondContact CE1-O 3.26Å; F54-K201 HydrophobicContact CD1-CD 4.09Å
55	G	51.9	Low	80.3	Confident	58 Å²	58	41.7 Å²	41.7	60%	0.598	23%	0.226	S	C	*	.	S	Bend	trans	74.8	-178.8	-172.7	0	0	0	0	0	113.2	V57	G55-V57 VanDerWaalsContact C-N 3.26Å; G55-V57 PolarHBondContact O-N 3.36Å
56	W	45.2	Very low	80.3	Confident	235 Å²	235	49.3 Å²	49.3	89%	0.89	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-17.9	-172.1	-61.3	103.8	0	0	0	115
57	V	72	Confident	80.4	Confident	89 Å²	89	52.3 Å²	52.3	54%	0.539	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-3.5	-169.4	-62.4	0	0	0	0	114.3	G55 I77 H78	G55-V57 VanDerWaalsContact C-N 3.26Å; G55-V57 PolarHBondContact O-N 3.36Å; V57-I77 WeakPolarHBondContact O-CA 3.48Å; V57-H78 PolarHBondContact O-N 2.92Å
58	T	78.3	Confident	80.7	Confident	8 Å²	8	53.3 Å²	53.3	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138	178.7	77.9	0	0	0	0	113.9	F54 R76 I77 M217	F54-T58 WeakPolarHBondContact CB-OG1 3.49Å; F54-T58 PolarHBondContact N-O 2.87Å; F54-T58 VanDerWaalsContact N-O 3.14Å; F54-T58 PolarHBondContact O-OG1 3.29Å; T58-R76 CarbonylContact C-O 3.46Å; T58-R76 WeakPolarHBondContact CA-O 3.34Å; T58-R76 WeakPolarHBondContact CB-O 3.43Å; T58-I77 HydrophobicContact CG2-CG1 4.08Å; T58-M217 HydrophobicContact CG2-SD 4.42Å
59	S	84.5	Confident	80.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154.4	170.9	58.7	0	0	0	0	110.8	Y61 R75 R76 H78	S59-Y61 WeakPolarHBondContact OG-CE2 3.39Å; S59-Y61 PolarHBondContact OG-OH 3.03Å; S59-R75 CarbonylContact O-C 3.54Å; S59-R75 WeakPolarHBondContact O-CA 3.28Å; S59-R76 PolarHBondContact N-O 2.87Å; S59-R76 PolarHBondContact O-N 3.23Å; S59-H78 WeakPolarHBondContact CB-NE2 3.37Å; S59-H78 PolarHBondContact N-NE2 3.1Å; S59-H78 PolarHBondContact OG-NE2 3.44Å
60	A	88.5	Confident	81.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.3	177.4	0	0	0	0	0	110.9	I51 G52 F54 L74	I51-A60 HydrophobicContact CD1-CB 4.22Å; I51-A60 HydrophobicContact CG1-CB 3.8Å; I51-A60 WeakPolarHBondContact CG1-O 3.34Å; I51-A60 PolarHBondContact N-O 3.44Å; G52-A60 PolarHBondContact N-O 2.84Å; G52-A60 PolarHBondContact O-N 3.37Å; F54-A60 HydrophobicContact CD2-CB 4.36Å; F54-A60 HydrophobicContact CE2-CB 4Å; A60-L74 CarbonylContact C-O 3.55Å; A60-L74 WeakPolarHBondContact CA-O 3.16Å
61	Y	90.9	Very high	81.5	Confident	11 Å²	11	58.7 Å²	58.7	4%	0.043	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.4	179.6	-49.6	-86.6	0	0	0	109.9	L38 L48 C49 P50 S59 C73 L74 R76 F115	L38-Y61 HydrophobicContact CD2-CD1 4.22Å; L38-Y61 HydrophobicContact CD2-CE1 3.57Å; L48-Y61 HydrophobicContact CD2-CG 4.31Å; C49-Y61 CarbonylContact O-C 3.53Å; C49-Y61 VanDerWaalsContact O-CA 3.29Å; C49-Y61 WeakPolarHBondContact O-CA 3.41Å; P50-Y61 HydrophobicContact CB-CD1 4.24Å; P50-Y61 HydrophobicContact CB-CE1 4.41Å; S59-Y61 WeakPolarHBondContact OG-CE2 3.39Å; S59-Y61 PolarHBondContact OG-OH 3.03Å; Y61-C73 CarbonylContact O-C 3.56Å; Y61-C73 WeakPolarHBondContact O-CA 3.47Å; Y61-L74 PolarHBondContact N-O 2.66Å; Y61-L74 PolarHBondContact O-N 2.73Å; Y61-R76 HydrophobicContact CD2-CB 4.47Å; Y61-R76 HydrophobicContact CE2-CB 3.85Å; Y61-R76 PolarHBondContact OH-NH1 3.44Å; Y61-F115 HydrophobicContact CD2-CE1 4.47Å; Y61-F115 HydrophobicContact CD2-CZ 4.28Å; Y61-F115 AromaticContact CE2-CE1 3.86Å; Y61-F115 HydrophobicContact CE2-CE1 3.86Å; Y61-F115 AromaticContact CE2-CZ 3.92Å; Y61-F115 HydrophobicContact CE2-CZ 3.92Å; Y61-F115 AromaticContact CZ-CE1 3.91Å
62	K	91.8	Very high	82.1	Confident	62 Å²	62	58.8 Å²	58.8	27%	0.27	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.8	160.6	174.2	-172.2	167.4	-174.3	0	107.8	C11 L48 C49 I51 V71 Y72 F136	C11-K62 HydrophobicContact CB-CD 4.45Å; L48-K62 CarbonylContact C-O 3.6Å; L48-K62 WeakPolarHBondContact CA-O 3.35Å; C49-K62 HydrophobicContact CB-CB 4.35Å; C49-K62 PolarHBondContact N-O 3.02Å; C49-K62 PolarHBondContact O-N 2.77Å; I51-K62 HydrophobicContact CG2-CB 3.78Å; K62-V71 HydrophobicContact CD-CG1 4.02Å; K62-V71 HydrophobicContact CG-CG1 3.48Å; K62-V71 VanDerWaalsContact CG-CG1 3.48Å; K62-Y72 WeakPolarHBondContact CA-O 3.29Å; K62-F136 HydrophobicContact CB-CD2 4.48Å; K62-F136 HydrophobicContact CB-CE2 4.12Å; K62-F136 HydrophobicContact CD-CE1 4.27Å; K62-F136 HydrophobicContact CD-CE2 4.31Å; K62-F136 HydrophobicContact CD-CZ 3.96Å; K62-F136 HydrophobicContact CG-CD2 4.38Å; K62-F136 HydrophobicContact CG-CE2 4.14Å; K62-F136 HydrophobicContact CG-CZ 4.26Å
63	A	93.5	Very high	83.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.2	172.4	0	0	0	0	0	111.1	Y45 L48 V71 Y72 L74	Y45-A63 HydrophobicContact CD1-CB 4.37Å; L48-A63 HydrophobicContact CD1-CB 4.18Å; L48-A63 HydrophobicContact CG-CB 4.18Å; A63-V71 WeakPolarHBondContact O-CA 3.13Å; A63-Y72 PolarHBondContact N-O 2.97Å; A63-Y72 PolarHBondContact O-N 3.15Å; A63-L74 HydrophobicContact CB-CD1 3.68Å; A63-L74 HydrophobicContact CB-CD2 3.99Å; A63-L74 HydrophobicContact CB-CG 4.44Å
64	V	94.2	Very high	85	Confident	40 Å²	40	54.5 Å²	54.5	24%	0.242	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.7	175.4	-176.4	0	0	0	0	108.6	Y45 F46 L70 V71	Y45-V64 WeakPolarHBondContact CA-O 3.45Å; F46-V64 HydrophobicContact CD1-CB 4.38Å; F46-V64 WeakPolarHBondContact CD1-O 3.48Å; F46-V64 HydrophobicContact CE1-CB 3.88Å; F46-V64 HydrophobicContact CE1-CG1 3.78Å; F46-V64 WeakPolarHBondContact CE1-O 3.3Å; F46-V64 HydrophobicContact CE2-CB 4.14Å; F46-V64 HydrophobicContact CE2-CG1 4.38Å; F46-V64 HydrophobicContact CZ-CB 3.75Å; F46-V64 HydrophobicContact CZ-CG1 3.59Å; F46-V64 PolarHBondContact N-O 2.84Å; F46-V64 PolarHBondContact O-N 2.9Å; V64-L70 WeakPolarHBondContact CA-O 2.95Å; V64-V71 HydrophobicContact CG2-CG2 4.4Å
65	C	94.8	Very high	86.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131	173.1	172.7	0	0	0	0	109.8	Y45 R67 D68 G69 L70 Y72	Y45-C65 HydrophobicContact CD1-CB 4Å; Y45-C65 HydrophobicContact CE1-CB 3.66Å; C65-R67 VanDerWaalsContact C-N 3.31Å; C65-R67 PolarHBondContact O-N 3.02Å; C65-R67 PolarHBondContact SG-N 3.02Å; C65-R67 VanDerWaalsContact SG-N 3.44Å; C65-D68 WeakPolarHBondContact CB-OD1 3.24Å; C65-D68 PolarHBondContact SG-OD1 3.49Å; C65-G69 VanDerWaalsContact O-CA 3.23Å; C65-G69 WeakPolarHBondContact O-CA 3.47Å; C65-G69 PolarHBondContact O-N 3.49Å; C65-L70 PolarHBondContact N-O 3.3Å; C65-Y72 HydrophobicContact CB-CD2 3.61Å; C65-Y72 HydrophobicContact CB-CE2 3.52Å
66	R	94.6	Very high	88.5	Confident	164 Å²	164	51 Å²	51	62%	0.619	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.5	179.3	-173.9	177.5	179.7	-173.7	0.3	113.3	D44 F46	D44-R66 VanDerWaalsContact O-CB 3.27Å; D44-R66 WeakPolarHBondContact O-CB 3.25Å; D44-R66 PolarHBondContact O-N 3.33Å; F46-R66 HydrophobicContact CD1-CB 4.28Å; F46-R66 HydrophobicContact CE1-CB 4.17Å
67	R	94.2	Very high	90.3	Very high	156 Å²	156	40 Å²	40	59%	0.589	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-41.9	-173.1	-63.6	-179.2	-71.5	-171.5	-4.8	112.8	D44 C65 E108	D44-R67 HydrophobicContact CB-CG 4.43Å; D44-R67 WeakPolarHBondContact OD2-CD 3.46Å; D44-R67 IonicContact OD2-CZ 3.07Å; D44-R67 IonicContact OD2-NE 3.42Å; D44-R67 PolarHBondContact OD2-NE 3.37Å; C65-R67 VanDerWaalsContact C-N 3.31Å; C65-R67 PolarHBondContact O-N 3.02Å; C65-R67 PolarHBondContact SG-N 3.02Å; C65-R67 VanDerWaalsContact SG-N 3.44Å; R67-E108 IonicContact CZ-OE2 2.79Å; R67-E108 VanDerWaalsContact NH2-CD 3.34Å; R67-E108 IonicContact NH2-OE1 3.71Å; R67-E108 PolarHBondContact NH2-OE1 3.32Å; R67-E108 IonicContact NH2-OE2 3.79Å; R67-E108 PolarHBondContact NH2-OE2 3.39Å
68	D	94.5	Very high	90.7	Very high	74 Å²	74	37.1 Å²	37.1	40%	0.396	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-8.4	-174.9	62.3	9	0	0	0	113.7	C65 L70 Y72	C65-D68 WeakPolarHBondContact CB-OD1 3.24Å; C65-D68 PolarHBondContact SG-OD1 3.49Å; D68-L70 HydrophobicContact CB-CD1 4.42Å; D68-L70 HydrophobicContact CB-CG 4.25Å; D68-L70 PolarHBondContact O-N 2.9Å; D68-L70 WeakPolarHBondContact OD1-CB 3.26Å; D68-L70 PolarHBondContact OD1-N 3.33Å; D68-Y72 WeakPolarHBondContact OD2-CE2 3.16Å; D68-Y72 PolarHBondContact OD2-OH 3.07Å
69	G	93	Very high	90.1	Very high	51 Å²	51	39.5 Å²	39.5	53%	0.526	20%	0.204	S	C	.	.			trans	71	7.1	-177.1	0	0	0	0	0	114.2	C65	C65-G69 VanDerWaalsContact O-CA 3.23Å; C65-G69 WeakPolarHBondContact O-CA 3.47Å; C65-G69 PolarHBondContact O-N 3.49Å
70	L	93.8	Very high	89.2	Confident	98 Å²	98	40.3 Å²	40.3	51%	0.513	21%	0.209	S	C	.	.			trans	-86.1	156.1	-177.9	-62	179.1	0	0	0	111.7	V64 C65 D68 Y72	V64-L70 WeakPolarHBondContact CA-O 2.95Å; C65-L70 PolarHBondContact N-O 3.3Å; D68-L70 HydrophobicContact CB-CD1 4.42Å; D68-L70 HydrophobicContact CB-CG 4.25Å; D68-L70 PolarHBondContact O-N 2.9Å; D68-L70 WeakPolarHBondContact OD1-CB 3.26Å; D68-L70 PolarHBondContact OD1-N 3.33Å; L70-Y72 HydrophobicContact CB-CD2 4.45Å; L70-Y72 HydrophobicContact CB-CE2 3.71Å; L70-Y72 WeakPolarHBondContact O-CD2 3.47Å
71	V	93.4	Very high	88	Confident	51 Å²	51	49.1 Å²	49.1	31%	0.309	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.5	178.5	-177.5	0	0	0	0	109.9	K62 A63 V64 F136	K62-V71 HydrophobicContact CD-CG1 4.02Å; K62-V71 HydrophobicContact CG-CG1 3.48Å; K62-V71 VanDerWaalsContact CG-CG1 3.48Å; A63-V71 WeakPolarHBondContact O-CA 3.13Å; V64-V71 HydrophobicContact CG2-CG2 4.4Å; V71-F136 HydrophobicContact CB-CB 4.42Å; V71-F136 HydrophobicContact CB-CD1 4.29Å; V71-F136 HydrophobicContact CG1-CB 3.93Å; V71-F136 HydrophobicContact CG1-CD1 3.57Å; V71-F136 HydrophobicContact CG1-CD2 4.46Å; V71-F136 HydrophobicContact CG1-CE1 4.2Å; V71-F136 HydrophobicContact CG1-CG 3.73Å; V71-F136 VanDerWaalsContact O-CB 3.31Å; V71-F136 WeakPolarHBondContact O-CB 3.19Å
72	Y	95.1	Very high	86.8	Confident	13 Å²	13	50.7 Å²	50.7	5%	0.051	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	157.8	179.9	-67.4	-79.6	0	0	0	112.4	Y45 K62 A63 C65 D68 L70 K107 V133 Y134	Y45-Y72 AromaticContact CE1-CD2 3.75Å; Y45-Y72 HydrophobicContact CE1-CD2 3.75Å; Y45-Y72 HydrophobicContact CE1-CG 4.09Å; K62-Y72 WeakPolarHBondContact CA-O 3.29Å; A63-Y72 PolarHBondContact N-O 2.97Å; A63-Y72 PolarHBondContact O-N 3.15Å; C65-Y72 HydrophobicContact CB-CD2 3.61Å; C65-Y72 HydrophobicContact CB-CE2 3.52Å; D68-Y72 WeakPolarHBondContact OD2-CE2 3.16Å; D68-Y72 PolarHBondContact OD2-OH 3.07Å; L70-Y72 HydrophobicContact CB-CD2 4.45Å; L70-Y72 HydrophobicContact CB-CE2 3.71Å; L70-Y72 WeakPolarHBondContact O-CD2 3.47Å; Y72-K107 HydrophobicContact CD1-CG 4.18Å; Y72-K107 HydrophobicContact CE1-CD 4.11Å; Y72-K107 HydrophobicContact CE1-CG 3.8Å; Y72-V133 HydrophobicContact CD1-CG1 3.93Å; Y72-V133 HydrophobicContact CG-CG1 3.84Å; Y72-Y134 WeakPolarHBondContact CD1-O 3.37Å
73	C	94	Very high	85.2	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109	170.6	173.3	0	0	0	0	109.3	I51 Y61 Y134 F136	I51-C73 HydrophobicContact CD1-CB 4.42Å; Y61-C73 CarbonylContact O-C 3.56Å; Y61-C73 WeakPolarHBondContact O-CA 3.47Å; C73-Y134 PolarHBondContact N-O 2.84Å; C73-Y134 PolarHBondContact O-N 3.36Å; C73-F136 HydrophobicContact CB-CD2 4.26Å
74	L	93.8	Very high	83.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.2	174.6	-80	63	0	0	0	108.9	Y45 A60 Y61 A63 V131 V133	Y45-L74 HydrophobicContact CD1-CD1 3.72Å; Y45-L74 HydrophobicContact CD1-CD2 4.42Å; Y45-L74 HydrophobicContact CD2-CD2 4.27Å; Y45-L74 HydrophobicContact CE1-CD1 4.13Å; Y45-L74 HydrophobicContact CG-CD1 4.04Å; Y45-L74 HydrophobicContact CG-CD2 3.88Å; Y45-L74 HydrophobicContact CG-CG 4.38Å; A60-L74 CarbonylContact C-O 3.55Å; A60-L74 WeakPolarHBondContact CA-O 3.16Å; Y61-L74 PolarHBondContact N-O 2.66Å; Y61-L74 PolarHBondContact O-N 2.73Å; A63-L74 HydrophobicContact CB-CD1 3.68Å; A63-L74 HydrophobicContact CB-CD2 3.99Å; A63-L74 HydrophobicContact CB-CG 4.44Å; L74-V131 HydrophobicContact CB-CG1 3.94Å; L74-V131 HydrophobicContact CD2-CG1 4.2Å; L74-V131 HydrophobicContact CG-CG1 3.95Å; L74-V133 HydrophobicContact CD1-CG1 4.4Å; L74-V133 HydrophobicContact CG-CG2 4.43Å
75	R	90.9	Very high	82.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.8	174.1	-175.5	167.5	-63.6	-78.6	-0.3	109.5	F54 S59 V131 L132 Y134 C214 M217	F54-R75 VanDerWaalsContact CE2-NH2 3.27Å; S59-R75 CarbonylContact O-C 3.54Å; S59-R75 WeakPolarHBondContact O-CA 3.28Å; R75-V131 CarbonylContact O-C 3.52Å; R75-V131 WeakPolarHBondContact O-CA 3.44Å; R75-L132 PolarHBondContact N-O 3.45Å; R75-L132 PolarHBondContact O-N 3.3Å; R75-Y134 HydrophobicContact CB-CD2 4.23Å; R75-Y134 HydrophobicContact CB-CE2 4.01Å; R75-C214 PolarHBondContact NE-SG 3.33Å; R75-C214 PolarHBondContact NH2-SG 3.05Å; R75-M217 VanDerWaalsContact CD-SD 3.51Å; R75-M217 HydrophobicContact CG-SD 4.3Å
76	R	88.4	Confident	81.4	Confident	13 Å²	13	68.4 Å²	68.4	5%	0.049	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.6	178.7	-179.4	-170.6	158.2	-160.5	-23	109.9	T58 S59 Y61 F115 D117 A129 V130 V131	T58-R76 CarbonylContact C-O 3.46Å; T58-R76 WeakPolarHBondContact CA-O 3.34Å; T58-R76 WeakPolarHBondContact CB-O 3.43Å; S59-R76 PolarHBondContact N-O 2.87Å; S59-R76 PolarHBondContact O-N 3.23Å; Y61-R76 HydrophobicContact CD2-CB 4.47Å; Y61-R76 HydrophobicContact CE2-CB 3.85Å; Y61-R76 PolarHBondContact OH-NH1 3.44Å; R76-F115 HydrophobicContact CG-CD2 4.29Å; R76-F115 HydrophobicContact CG-CE2 4.12Å; R76-D117 IonicContact CZ-OD1 3.49Å; R76-D117 IonicContact CZ-OD2 3.29Å; R76-D117 VanDerWaalsContact CZ-OD2 3.29Å; R76-D117 IonicContact NE-OD2 3.06Å; R76-D117 PolarHBondContact NE-OD2 3.4Å; R76-D117 IonicContact NH1-OD1 2.86Å; R76-D117 IonicContact NH2-OD1 2.59Å; R76-D117 PolarHBondContact NH2-OD1 2.94Å; R76-D117 IonicContact NH2-OD2 2.6Å; R76-D117 PolarHBondContact NH2-OD2 3.44Å; R76-A129 HydrophobicContact CG-CB 4.06Å; R76-V130 CarbonylContact C-O 3.5Å; R76-V130 WeakPolarHBondContact CA-O 3.48Å; R76-V131 HydrophobicContact CB-CG2 4.34Å; R76-V131 HydrophobicContact CG-CG2 4.38Å
77	I	83.1	Confident	80.1	Confident	5 Å²	5	61 Å²	61	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.5	166.4	-54.4	164.9	0	0	0	107.3	V57 T58 C80 V130 L132 M217 L221	V57-I77 WeakPolarHBondContact O-CA 3.48Å; T58-I77 HydrophobicContact CG2-CG1 4.08Å; I77-C80 HydrophobicContact CG2-CB 4.01Å; I77-V130 HydrophobicContact CB-CB 4.37Å; I77-V130 HydrophobicContact CD1-CB 4.43Å; I77-V130 HydrophobicContact CD1-CG1 4.44Å; I77-V130 PolarHBondContact N-O 3.36Å; I77-V130 PolarHBondContact O-N 2.92Å; I77-L132 HydrophobicContact CD1-CD1 3.5Å; I77-L132 VanDerWaalsContact CD1-CD1 3.5Å; I77-L132 HydrophobicContact CG1-CD1 4.08Å; I77-M217 HydrophobicContact CD1-CG 3.98Å; I77-L221 HydrophobicContact CD1-CD1 3.97Å; I77-L221 HydrophobicContact CD1-CD2 4.06Å; I77-L221 HydrophobicContact CD1-CG 4.07Å; I77-L221 HydrophobicContact CG2-CD2 4.24Å
78	H	78.9	Confident	79.5	Confident	28 Å²	28	55.6 Å²	55.6	13%	0.13	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	143.7	-172.8	-60	-164.9	0	0	0	109.7	V57 S59 C80	V57-H78 PolarHBondContact O-N 2.92Å; S59-H78 WeakPolarHBondContact CB-NE2 3.37Å; S59-H78 PolarHBondContact N-NE2 3.1Å; S59-H78 PolarHBondContact OG-NE2 3.44Å; H78-C80 PolarHBondContact O-N 3.4Å
79	A	66.6	Low	78.9	Confident	59 Å²	59	55.8 Å²	55.8	49%	0.488	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	43.7	43.4	172.7	0	0	0	0	0	114.6	F127	A79-F127 HydrophobicContact CB-CD1 4.27Å; A79-F127 WeakPolarHBondContact O-CD1 3.49Å
80	C	65.3	Low	78.4	Confident	16 Å²	16	54.1 Å²	54.1	11%	0.108	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.5	-179.6	-173	0	0	0	0	109.8	I77 H78 L82 V130	I77-C80 HydrophobicContact CG2-CB 4.01Å; H78-C80 PolarHBondContact O-N 3.4Å; C80-L82 PolarHBondContact O-N 3.37Å; C80-V130 HydrophobicContact CB-CG2 3.99Å
81	R	64.3	Low	78.1	Confident	187 Å²	187	49.6 Å²	49.6	71%	0.706	27%	0.265	S	S	*	.			trans	-80.7	97.3	164.9	-172.7	177.1	-177.5	177	0.9	107.8	I83 F127	R81-I83 PolarHBondContact O-N 3.1Å; R81-F127 HydrophobicContact CB-CD1 4.32Å; R81-F127 HydrophobicContact CB-CE1 3.96Å
82	L	64.3	Low	77.8	Confident	44 Å²	44	50.9 Å²	50.9	23%	0.23	27%	0.27	C	S	.	.			trans	-64.2	105.8	168.2	-76.4	172.4	0	0	0	108.7	C80 N84 A87 T111 V130 V220	C80-L82 PolarHBondContact O-N 3.37Å; L82-N84 PolarHBondContact O-N 3.31Å; L82-A87 HydrophobicContact CD2-CB 4.2Å; L82-T111 HydrophobicContact CD1-CG2 3.18Å; L82-V130 HydrophobicContact CD1-CG2 3.74Å; L82-V130 HydrophobicContact CD2-CG2 3.92Å; L82-V130 HydrophobicContact CG-CG2 3.72Å; L82-V220 HydrophobicContact CD2-CG1 4.02Å
83	I	59.5	Low	77.6	Confident	163 Å²	163	53.2 Å²	53.2	84%	0.836	29%	0.286	S	S	*	.	S	Bend	trans	-70.2	-28.4	177.5	-57.9	173.4	0	0	0	110	R81	R81-I83 PolarHBondContact O-N 3.1Å
84	N	64	Low	77.5	Confident	69 Å²	69	53.4 Å²	53.4	37%	0.369	29%	0.286	S	S	.	.			trans	-137.6	122.1	-172.6	-168.1	-10.5	0	0	0	111	L82 K86 A87	L82-N84 PolarHBondContact O-N 3.31Å; N84-K86 PolarHBondContact O-N 3.29Å; N84-K86 WeakPolarHBondContact OD1-CB 3.33Å; N84-K86 WeakPolarHBondContact OD1-CG 3.49Å; N84-K86 PolarHBondContact OD1-N 3.03Å; N84-A87 WeakPolarHBondContact O-CB 3.3Å; N84-A87 PolarHBondContact O-N 2.96Å
85	S	67.4	Low	77.3	Confident	104 Å²	104	57.5 Å²	57.5	73%	0.727	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.7	172.1	55.1	0	0	0	0	112.3	A87 L88	S85-A87 PolarHBondContact O-N 2.91Å; S85-L88 PolarHBondContact O-N 3.42Å
86	K	69.6	Low	77.3	Confident	139 Å²	139	65.7 Å²	65.7	60%	0.604	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-68.7	-13.8	172.8	-56.6	-178.7	178.9	-178.8	0	113.2	N84 L88 T89	N84-K86 PolarHBondContact O-N 3.29Å; N84-K86 WeakPolarHBondContact OD1-CB 3.33Å; N84-K86 WeakPolarHBondContact OD1-CG 3.49Å; N84-K86 PolarHBondContact OD1-N 3.03Å; K86-L88 PolarHBondContact O-N 2.62Å; K86-T89 WeakPolarHBondContact O-CB 3.24Å; K86-T89 PolarHBondContact O-N 3.38Å; K86-T89 PolarHBondContact O-OG1 2.98Å
87	A	69.1	Low	77.4	Confident	9 Å²	9	68 Å²	68	7%	0.074	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-59.9	-33.2	176.9	0	0	0	0	0	111.7	L82 N84 S85 T89 A90 V220	L82-A87 HydrophobicContact CD2-CB 4.2Å; N84-A87 WeakPolarHBondContact O-CB 3.3Å; N84-A87 PolarHBondContact O-N 2.96Å; S85-A87 PolarHBondContact O-N 2.91Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 3.4Å; A87-A90 WeakPolarHBondContact O-CB 3.23Å; A87-A90 PolarHBondContact O-N 2.98Å; A87-V220 HydrophobicContact CB-CG1 4.35Å
88	L	80.5	Confident	77.7	Confident	43 Å²	43	68.3 Å²	68.3	23%	0.225	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-70.4	-25.5	175.2	-63.7	178.7	0	0	0	112.7	S85 K86 A90 V91 A109 T111 V130	S85-L88 PolarHBondContact O-N 3.42Å; K86-L88 PolarHBondContact O-N 2.62Å; L88-A90 PolarHBondContact O-N 3.46Å; L88-V91 VanDerWaalsContact O-CB 3.29Å; L88-V91 WeakPolarHBondContact O-CB 3.12Å; L88-V91 PolarHBondContact O-N 3.28Å; L88-A109 HydrophobicContact CD2-CB 3.92Å; L88-T111 HydrophobicContact CD1-CG2 4.43Å; L88-V130 HydrophobicContact CD2-CG1 4.38Å
89	T	82	Confident	78.1	Confident	77 Å²	77	72.6 Å²	72.6	47%	0.472	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-20.1	176.5	69	0	0	0	0	112.7	K86 A87 V91 D92	K86-T89 WeakPolarHBondContact O-CB 3.24Å; K86-T89 PolarHBondContact O-N 3.38Å; K86-T89 PolarHBondContact O-OG1 2.98Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 3.4Å; T89-V91 PolarHBondContact O-N 3.48Å; T89-D92 WeakPolarHBondContact O-CB 3.47Å; T89-D92 PolarHBondContact O-N 3.15Å; T89-D92 VanDerWaalsContact O-N 3.15Å
90	A	82.6	Confident	79.2	Confident	16 Å²	16	71 Å²	71	13%	0.132	38%	0.376	C	S	.	.	H	α-helix	trans	-60.9	-31.9	171.8	0	0	0	0	0	111.5	A87 L88 D92 V93 W94 D219	A87-A90 WeakPolarHBondContact O-CB 3.23Å; A87-A90 PolarHBondContact O-N 2.98Å; L88-A90 PolarHBondContact O-N 3.46Å; A90-D92 VanDerWaalsContact C-N 3.28Å; A90-D92 PolarHBondContact O-N 2.99Å; A90-V93 WeakPolarHBondContact O-CB 3.31Å; A90-V93 PolarHBondContact O-N 3.07Å; A90-W94 PolarHBondContact O-N 3Å; A90-D219 HydrophobicContact CB-CB 4.08Å
91	V	87.3	Confident	80.5	Confident	3 Å²	3	74.1 Å²	74.1	2%	0.018	40%	0.396	C	S	.	.	H	α-helix	trans	-64.8	-33.4	177.5	175.5	0	0	0	0	112.1	L88 T89 V93 W94 K95 L106 A109 V220	L88-V91 VanDerWaalsContact O-CB 3.29Å; L88-V91 WeakPolarHBondContact O-CB 3.12Å; L88-V91 PolarHBondContact O-N 3.28Å; T89-V91 PolarHBondContact O-N 3.48Å; V91-V93 VanDerWaalsContact C-N 3.27Å; V91-V93 PolarHBondContact O-N 3.34Å; V91-W94 PolarHBondContact O-N 3.24Å; V91-K95 WeakPolarHBondContact O-CB 3.35Å; V91-K95 PolarHBondContact O-N 3.34Å; V91-L106 HydrophobicContact CB-CD2 4.11Å; V91-L106 HydrophobicContact CG1-CD1 4.38Å; V91-L106 HydrophobicContact CG1-CD2 3.63Å; V91-L106 HydrophobicContact CG1-CG 3.76Å; V91-L106 HydrophobicContact CG2-CD2 3.89Å; V91-A109 HydrophobicContact CB-CB 4.32Å; V91-A109 HydrophobicContact CG1-CB 4.27Å; V91-A109 HydrophobicContact CG2-CB 3.61Å; V91-V220 HydrophobicContact CG2-CG2 4.05Å
92	D	88.1	Confident	81.9	Confident	78 Å²	78	68.8 Å²	68.8	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-33.9	176.6	-68.1	-43.8	0	0	0	112	T89 A90 K96	T89-D92 WeakPolarHBondContact O-CB 3.47Å; T89-D92 PolarHBondContact O-N 3.15Å; T89-D92 VanDerWaalsContact O-N 3.15Å; A90-D92 VanDerWaalsContact C-N 3.28Å; A90-D92 PolarHBondContact O-N 2.99Å; D92-K96 WeakPolarHBondContact O-CB 3.47Å; D92-K96 VanDerWaalsContact O-CG 3.27Å; D92-K96 WeakPolarHBondContact O-CG 3.42Å; D92-K96 PolarHBondContact O-N 3.41Å; D92-K96 VanDerWaalsContact O-N 3.11Å
93	V	89.7	Confident	83.4	Confident	62 Å²	62	67.2 Å²	67.2	38%	0.376	37%	0.369	S	S	.	.	H	α-helix	trans	-67.2	-46.9	175.4	-172.1	0	0	0	0	110	A90 V91 K95 K96 S97 L192	A90-V93 WeakPolarHBondContact O-CB 3.31Å; A90-V93 PolarHBondContact O-N 3.07Å; V91-V93 VanDerWaalsContact C-N 3.27Å; V91-V93 PolarHBondContact O-N 3.34Å; V93-K95 PolarHBondContact O-N 3.31Å; V93-K96 PolarHBondContact O-N 3.37Å; V93-S97 WeakPolarHBondContact O-CB 3.13Å; V93-S97 PolarHBondContact O-N 3.02Å; V93-S97 PolarHBondContact O-OG 3.4Å; V93-S97 VanDerWaalsContact O-OG 3.07Å; V93-L192 HydrophobicContact CG1-CD1 4.23Å; V93-L192 HydrophobicContact CG1-CD2 3.99Å; V93-L192 HydrophobicContact CG1-CG 4.43Å
94	W	91.3	Very high	85	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.027	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-45.8	175.2	-80.8	94.7	0	0	0	112.5	A90 V91 K96 I98 L106 I187 L192 Y193 C215 D219	A90-W94 PolarHBondContact O-N 3Å; V91-W94 PolarHBondContact O-N 3.24Å; W94-K96 VanDerWaalsContact C-N 3.32Å; W94-K96 PolarHBondContact O-N 2.94Å; W94-I98 HydrophobicContact CE3-CB 4.23Å; W94-I98 HydrophobicContact CE3-CG1 3.65Å; W94-I98 HydrophobicContact CZ3-CG1 3.91Å; W94-I98 WeakPolarHBondContact O-CB 3.19Å; W94-I98 PolarHBondContact O-N 2.99Å; W94-I98 VanDerWaalsContact O-N 3.16Å; W94-L106 HydrophobicContact CB-CD2 3.97Å; W94-L106 HydrophobicContact CG-CD2 4.31Å; W94-I187 HydrophobicContact CH2-CD1 4.15Å; W94-I187 HydrophobicContact CH2-CG1 4.16Å; W94-I187 HydrophobicContact CH2-CG2 3.74Å; W94-I187 HydrophobicContact CZ3-CD1 4.09Å; W94-I187 HydrophobicContact CZ3-CG1 3.93Å; W94-I187 HydrophobicContact CZ3-CG2 4.29Å; W94-L192 HydrophobicContact CD2-CD1 3.8Å; W94-L192 HydrophobicContact CE3-CD1 4.1Å; W94-L192 HydrophobicContact CG-CD1 4.16Å; W94-L192 HydrophobicContact CH2-CB 4.23Å; W94-L192 HydrophobicContact CH2-CD1 4.48Å; W94-L192 HydrophobicContact CZ2-CB 3.99Å; W94-L192 HydrophobicContact CZ2-CD1 4.22Å; W94-L192 HydrophobicContact CZ3-CD1 4.41Å; W94-Y193 VanDerWaalsContact CZ2-O 3.31Å; W94-Y193 WeakPolarHBondContact CZ2-O 3.49Å; W94-C215 HydrophobicContact CE3-CB 4.03Å; W94-C215 HydrophobicContact CH2-CB 3.72Å; W94-C215 HydrophobicContact CZ2-CB 4.45Å; W94-C215 HydrophobicContact CZ3-CB 3.48Å; W94-C215 VanDerWaalsContact CZ3-CB 3.48Å; W94-D219 WeakPolarHBondContact CZ2-OD2 3.43Å; W94-D219 PolarHBondContact NE1-OD2 3.18Å
95	K	91.1	Very high	86.5	Confident	86 Å²	86	61.6 Å²	61.6	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-37.9	-179.1	-178.4	-178.2	-173.5	159.2	0	113	V91 V93 K107	V91-K95 WeakPolarHBondContact O-CB 3.35Å; V91-K95 PolarHBondContact O-N 3.34Å; V93-K95 PolarHBondContact O-N 3.31Å; K95-K107 VanDerWaalsContact CD-O 3.31Å; K95-K107 WeakPolarHBondContact CD-O 3.49Å; K95-K107 WeakPolarHBondContact CE-O 3.46Å; K95-K107 PolarHBondContact NZ-O 2.85Å; K95-K107 VanDerWaalsContact NZ-O 3.08Å
96	K	90.3	Very high	87.7	Confident	171 Å²	171	57 Å²	57	74%	0.743	30%	0.299	S	S	*	.	H	α-helix	trans	-86.9	-44.1	-177	-70.8	174	-176.7	174.4	0	112.5	D92 V93 W94	D92-K96 WeakPolarHBondContact O-CB 3.47Å; D92-K96 VanDerWaalsContact O-CG 3.27Å; D92-K96 WeakPolarHBondContact O-CG 3.42Å; D92-K96 PolarHBondContact O-N 3.41Å; D92-K96 VanDerWaalsContact O-N 3.11Å; V93-K96 PolarHBondContact O-N 3.37Å; W94-K96 VanDerWaalsContact C-N 3.32Å; W94-K96 PolarHBondContact O-N 2.94Å
97	S	89.8	Confident	88.8	Confident	61 Å²	61	52.2 Å²	52.2	43%	0.427	28%	0.278	S	S	.	.	H	α-helix	trans	-87.5	-24.4	-168.6	-54.1	0	0	0	0	113.5	V93	V93-S97 WeakPolarHBondContact O-CB 3.13Å; V93-S97 PolarHBondContact O-N 3.02Å; V93-S97 PolarHBondContact O-OG 3.4Å; V93-S97 VanDerWaalsContact O-OG 3.07Å
98	I	90.1	Very high	89.9	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.067	28%	0.283	C	S	.	.			trans	-109.8	107.5	-173.9	-54.4	-57.8	0	0	0	111.3	W94 V103 I187 A190 L192	W94-I98 HydrophobicContact CE3-CB 4.23Å; W94-I98 HydrophobicContact CE3-CG1 3.65Å; W94-I98 HydrophobicContact CZ3-CG1 3.91Å; W94-I98 WeakPolarHBondContact O-CB 3.19Å; W94-I98 PolarHBondContact O-N 2.99Å; W94-I98 VanDerWaalsContact O-N 3.16Å; I98-V103 HydrophobicContact CG2-CB 4.26Å; I98-V103 HydrophobicContact CG2-CG1 4.07Å; I98-V103 HydrophobicContact CG2-CG2 4.42Å; I98-I187 HydrophobicContact CD1-CG1 4.23Å; I98-A190 HydrophobicContact CD1-CB 3.57Å; I98-L192 HydrophobicContact CD1-CD1 4.06Å; I98-L192 HydrophobicContact CG1-CD1 3.79Å
99	S	87.9	Confident	90.5	Very high	117 Å²	117	52.4 Å²	52.4	82%	0.818	28%	0.28	S	S	*	.			trans	-128.8	96.3	166.1	-176.1	0	0	0	0	108.1
100	N	90	Very high	90.9	Very high	27 Å²	27	49.7 Å²	49.7	14%	0.144	26%	0.261	C	S	.	.			trans	-141.4	134.4	-177.9	-173.4	-75.5	0	0	0	110	Y102 V103 S182 A186	N100-Y102 PolarHBondContact O-N 3.15Å; N100-Y102 VanDerWaalsContact O-N 3.09Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.26Å; N100-Y102 WeakPolarHBondContact OD1-CD2 3.48Å; N100-Y102 PolarHBondContact OD1-N 3.29Å; N100-V103 HydrophobicContact CB-CB 4.42Å; N100-V103 HydrophobicContact CB-CG2 4.1Å; N100-V103 PolarHBondContact O-N 2.86Å; N100-S182 PolarHBondContact ND2-O 3.03Å; N100-A186 HydrophobicContact CB-CB 4.02Å; N100-A186 WeakPolarHBondContact ND2-CB 3.31Å
101	P	92.1	Very high	91.1	Very high	81 Å²	81	52 Å²	52	53%	0.526	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.9	-176	26.8	-36.4	0	0	0	114.8	L211	P101-L211 WeakPolarHBondContact O-CD2 3.35Å
102	Y	93.9	Very high	91.1	Very high	74 Å²	74	52.8 Å²	52.8	29%	0.29	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	8.3	-179.4	-53.1	-64.2	0	0	0	113.3	N100 A179 L211 I212	N100-Y102 PolarHBondContact O-N 3.15Å; N100-Y102 VanDerWaalsContact O-N 3.09Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.26Å; N100-Y102 WeakPolarHBondContact OD1-CD2 3.48Å; N100-Y102 PolarHBondContact OD1-N 3.29Å; Y102-A179 WeakPolarHBondContact CB-O 3.34Å; Y102-A179 HydrophobicContact CD1-CB 3.47Å; Y102-A179 VanDerWaalsContact CD1-CB 3.47Å; Y102-A179 HydrophobicContact CD2-CB 4.4Å; Y102-A179 HydrophobicContact CE1-CB 3.64Å; Y102-A179 HydrophobicContact CG-CB 3.87Å; Y102-L211 CarbonylContact O-C 3.59Å; Y102-L211 WeakPolarHBondContact O-CA 3.36Å; Y102-I212 PolarHBondContact O-N 3.21Å
103	V	94.2	Very high	90.9	Very high	12 Å²	12	55.1 Å²	55.1	7%	0.073	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-120.4	129.3	174.6	-178.6	0	0	0	0	108.6	I98 N100 R105 A183 I187 C215	I98-V103 HydrophobicContact CG2-CB 4.26Å; I98-V103 HydrophobicContact CG2-CG1 4.07Å; I98-V103 HydrophobicContact CG2-CG2 4.42Å; N100-V103 HydrophobicContact CB-CB 4.42Å; N100-V103 HydrophobicContact CB-CG2 4.1Å; N100-V103 PolarHBondContact O-N 2.86Å; V103-R105 PolarHBondContact O-N 3.44Å; V103-A183 HydrophobicContact CG2-CB 3.61Å; V103-I187 HydrophobicContact CG2-CD1 4.01Å; V103-I187 HydrophobicContact CG2-CG1 4.38Å; V103-C215 HydrophobicContact CG1-CB 4.18Å
104	V	94.6	Very high	90.7	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.1	120.3	172.7	-175.1	0	0	0	0	108.3	L106 Y134 D135 L203 L211 I212 N213	V104-L106 PolarHBondContact O-N 2.76Å; V104-Y134 HydrophobicContact CG1-CD1 4.16Å; V104-Y134 HydrophobicContact CG1-CG 4.41Å; V104-D135 HydrophobicContact CG1-CB 4.36Å; V104-D135 WeakPolarHBondContact CG1-O 3.3Å; V104-L203 HydrophobicContact CG2-CD1 4.16Å; V104-L211 HydrophobicContact CG2-CB 3.65Å; V104-L211 HydrophobicContact CG2-CD1 4.3Å; V104-I212 PolarHBondContact N-O 2.8Å; V104-N213 HydrophobicContact CG2-CB 4.06Å
105	R	94.1	Very high	90.2	Very high	111 Å²	111	54.9 Å²	54.9	42%	0.419	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.8	126.2	-174.4	-171.1	173	-179.9	-176.5	4.8	111.1	V103 Y134 D135	V103-R105 PolarHBondContact O-N 3.44Å; R105-Y134 WeakPolarHBondContact O-CA 3.39Å; R105-D135 VanDerWaalsContact CB-OD2 3.31Å; R105-D135 WeakPolarHBondContact CB-OD2 3.29Å; R105-D135 PolarHBondContact O-N 3.37Å; R105-D135 VanDerWaalsContact O-N 3.08Å
106	L	93.8	Very high	89.3	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.8	167.8	-180	62.7	0	0	0	109.3	V91 W94 V104 L132 Y134	V91-L106 HydrophobicContact CB-CD2 4.11Å; V91-L106 HydrophobicContact CG1-CD1 4.38Å; V91-L106 HydrophobicContact CG1-CD2 3.63Å; V91-L106 HydrophobicContact CG1-CG 3.76Å; V91-L106 HydrophobicContact CG2-CD2 3.89Å; W94-L106 HydrophobicContact CB-CD2 3.97Å; W94-L106 HydrophobicContact CG-CD2 4.31Å; V104-L106 PolarHBondContact O-N 2.76Å; L106-L132 HydrophobicContact CD1-CB 3.98Å; L106-L132 HydrophobicContact CD1-CD2 4.04Å; L106-L132 HydrophobicContact CD2-CD2 4.44Å; L106-Y134 HydrophobicContact CB-CD1 4.2Å; L106-Y134 HydrophobicContact CB-CE1 3.93Å; L106-Y134 HydrophobicContact CD1-CD1 4.17Å; L106-Y134 HydrophobicContact CD1-CD2 4.48Å; L106-Y134 HydrophobicContact CD1-CE1 3.74Å; L106-Y134 HydrophobicContact CD1-CE2 4.09Å; L106-Y134 HydrophobicContact CG-CE1 4.34Å
107	K	93	Very high	88	Confident	39 Å²	39	47.1 Å²	47.1	17%	0.17	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-45.3	-172.9	-66.9	-74.6	169.7	135.5	0	113.1	Y72 K95 V133 D135	Y72-K107 HydrophobicContact CD1-CG 4.18Å; Y72-K107 HydrophobicContact CE1-CD 4.11Å; Y72-K107 HydrophobicContact CE1-CG 3.8Å; K95-K107 VanDerWaalsContact CD-O 3.31Å; K95-K107 WeakPolarHBondContact CD-O 3.49Å; K95-K107 WeakPolarHBondContact CE-O 3.46Å; K95-K107 PolarHBondContact NZ-O 2.85Å; K95-K107 VanDerWaalsContact NZ-O 3.08Å; K107-V133 HydrophobicContact CB-CB 4.34Å; K107-V133 HydrophobicContact CB-CG1 4.29Å; K107-V133 PolarHBondContact N-O 3.14Å; K107-D135 WeakPolarHBondContact CE-OD1 3.06Å; K107-D135 WeakPolarHBondContact CE-OD2 3.03Å; K107-D135 IonicContact NZ-OD1 2.85Å; K107-D135 PolarHBondContact NZ-OD1 3.43Å; K107-D135 IonicContact NZ-OD2 2.79Å; K107-D135 PolarHBondContact NZ-OD2 2.87Å
108	E	92.4	Very high	86.3	Confident	37 Å²	37	49.1 Å²	49.1	17%	0.173	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	167.3	-179.7	60.7	-170.1	-178.7	0	0	110.1	Y45 R67 V133	Y45-E108 WeakPolarHBondContact CE2-OE1 3.47Å; Y45-E108 VanDerWaalsContact CZ-OE1 3.25Å; Y45-E108 PolarHBondContact OH-OE1 2.82Å; R67-E108 IonicContact CZ-OE2 2.79Å; R67-E108 VanDerWaalsContact NH2-CD 3.34Å; R67-E108 IonicContact NH2-OE1 3.71Å; R67-E108 PolarHBondContact NH2-OE1 3.32Å; R67-E108 IonicContact NH2-OE2 3.79Å; R67-E108 PolarHBondContact NH2-OE2 3.39Å; E108-V133 HydrophobicContact CG-CB 3.94Å; E108-V133 HydrophobicContact CG-CG2 3.75Å; E108-V133 PolarHBondContact O-N 2.92Å
109	A	91.8	Very high	84.4	Confident	19 Å²	19	52.9 Å²	52.9	16%	0.157	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.5	168.2	0	0	0	0	0	109.7	L88 V91 V131 L132	L88-A109 HydrophobicContact CD2-CB 3.92Å; V91-A109 HydrophobicContact CB-CB 4.32Å; V91-A109 HydrophobicContact CG1-CB 4.27Å; V91-A109 HydrophobicContact CG2-CB 3.61Å; A109-V131 CarbonylContact C-O 3.58Å; A109-V131 WeakPolarHBondContact CA-O 3.35Å; A109-L132 HydrophobicContact CB-CG 4.02Å
110	F	90	Very high	82.7	Confident	21 Å²	21	54.9 Å²	54.9	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163.8	-178.6	58.6	-95.8	0	0	0	110.7	V42 D43 Y45 T112 V131 V133	V42-F110 HydrophobicContact CG1-CE2 3.57Å; V42-F110 HydrophobicContact CG1-CZ 3.84Å; D43-F110 HydrophobicContact CB-CD2 4.14Å; D43-F110 HydrophobicContact CB-CE1 4.24Å; D43-F110 HydrophobicContact CB-CE2 3.8Å; D43-F110 HydrophobicContact CB-CZ 3.84Å; Y45-F110 HydrophobicContact CD2-CE1 4.09Å; Y45-F110 HydrophobicContact CD2-CZ 4.16Å; Y45-F110 AromaticContact CE2-CE1 3.84Å; Y45-F110 HydrophobicContact CE2-CE1 3.84Å; Y45-F110 HydrophobicContact CE2-CZ 4.38Å; F110-T112 HydrophobicContact CE2-CG2 4.36Å; F110-V131 HydrophobicContact CD2-CB 4.19Å; F110-V131 HydrophobicContact CE1-CB 4.22Å; F110-V131 HydrophobicContact CE1-CG1 4.06Å; F110-V131 HydrophobicContact CE2-CB 3.67Å; F110-V131 HydrophobicContact CE2-CG1 4.13Å; F110-V131 HydrophobicContact CE2-CG2 3.99Å; F110-V131 HydrophobicContact CZ-CB 3.69Å; F110-V131 HydrophobicContact CZ-CG1 3.63Å; F110-V131 HydrophobicContact CZ-CG2 4.32Å; F110-V131 PolarHBondContact N-O 3.14Å; F110-V131 PolarHBondContact O-N 3.15Å; F110-V133 HydrophobicContact CD1-CG2 4.43Å; F110-V133 HydrophobicContact CE1-CG2 3.73Å
111	T	87.3	Confident	81	Confident	65 Å²	65	56.2 Å²	56.2	40%	0.399	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	146	173.6	52.1	0	0	0	0	110.4	L82 L88 V128 A129 V130	L82-T111 HydrophobicContact CD1-CG2 3.18Å; L88-T111 HydrophobicContact CD1-CG2 4.43Å; T111-V128 HydrophobicContact CG2-CG2 3.83Å; T111-A129 CarbonylContact C-O 3.55Å; T111-A129 VanDerWaalsContact CA-O 3.29Å; T111-A129 WeakPolarHBondContact CA-O 3.41Å; T111-V130 HydrophobicContact CG2-CG2 4.26Å
112	T	87	Confident	79	Confident	19 Å²	19	59.7 Å²	59.7	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149.6	177.7	-172.9	0	0	0	0	112.2	V42 F110 A114 F115 A129 V131	V42-T112 HydrophobicContact CG1-CG2 3.89Å; F110-T112 HydrophobicContact CE2-CG2 4.36Å; T112-A114 VanDerWaalsContact OG1-CB 3.32Å; T112-A114 WeakPolarHBondContact OG1-CB 2.99Å; T112-A114 PolarHBondContact OG1-N 2.84Å; T112-A114 VanDerWaalsContact OG1-N 3.09Å; T112-F115 HydrophobicContact CG2-CD2 3.75Å; T112-F115 HydrophobicContact CG2-CE2 3.86Å; T112-A129 HydrophobicContact CG2-CB 4.13Å; T112-A129 PolarHBondContact N-O 3.2Å; T112-A129 PolarHBondContact O-N 3.48Å; T112-V131 HydrophobicContact CG2-CG2 3.72Å
113	K	85.3	Confident	77.1	Confident	127 Å²	127	62.3 Å²	62.3	55%	0.552	35%	0.349	S	S	*	.			trans	-105.3	-4.2	170.7	-67	-177.2	179.2	-176.1	0	112.2	F115 G116 V128	K113-F115 PolarHBondContact O-N 3.2Å; K113-F115 VanDerWaalsContact O-N 3.11Å; K113-G116 PolarHBondContact O-N 3.43Å; K113-G116 VanDerWaalsContact O-N 3.08Å; K113-V128 HydrophobicContact CD-CG1 4.45Å; K113-V128 HydrophobicContact CG-CG1 3.9Å
114	A	85.3	Confident	75.1	Confident	45 Å²	45	62.4 Å²	62.4	37%	0.372	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26	-170.8	0	0	0	0	0	113.9	P39 V42 T112 G116	P39-A114 HydrophobicContact CB-CB 3.9Å; P39-A114 WeakPolarHBondContact CB-O 3.41Å; P39-A114 HydrophobicContact CG-CB 4.16Å; V42-A114 HydrophobicContact CG2-CB 4.15Å; T112-A114 VanDerWaalsContact OG1-CB 3.32Å; T112-A114 WeakPolarHBondContact OG1-CB 2.99Å; T112-A114 PolarHBondContact OG1-N 2.84Å; T112-A114 VanDerWaalsContact OG1-N 3.09Å; A114-G116 PolarHBondContact O-N 2.97Å
115	F	80.5	Confident	73.2	Confident	18 Å²	18	69.8 Å²	69.8	8%	0.079	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.3	179	-71.7	-76.2	0	0	0	114.5	L38 P39 V42 L48 Y61 R76 T112 K113 D117 A129 V131	L38-F115 HydrophobicContact CD2-CE1 4.43Å; P39-F115 HydrophobicContact CG-CD1 3.79Å; P39-F115 HydrophobicContact CG-CE1 3.87Å; P39-F115 HydrophobicContact CG-CG 4.26Å; P39-F115 HydrophobicContact CG-CZ 4.37Å; V42-F115 HydrophobicContact CG1-CE2 4.13Å; V42-F115 HydrophobicContact CG2-CE1 4.48Å; V42-F115 HydrophobicContact CG2-CE2 3.97Å; V42-F115 HydrophobicContact CG2-CZ 3.88Å; L48-F115 HydrophobicContact CD2-CE1 3.89Å; L48-F115 HydrophobicContact CD2-CZ 3.8Å; Y61-F115 HydrophobicContact CD2-CE1 4.47Å; Y61-F115 HydrophobicContact CD2-CZ 4.28Å; Y61-F115 AromaticContact CE2-CE1 3.86Å; Y61-F115 HydrophobicContact CE2-CE1 3.86Å; Y61-F115 AromaticContact CE2-CZ 3.92Å; Y61-F115 HydrophobicContact CE2-CZ 3.92Å; Y61-F115 AromaticContact CZ-CE1 3.91Å; R76-F115 HydrophobicContact CG-CD2 4.29Å; R76-F115 HydrophobicContact CG-CE2 4.12Å; T112-F115 HydrophobicContact CG2-CD2 3.75Å; T112-F115 HydrophobicContact CG2-CE2 3.86Å; K113-F115 PolarHBondContact O-N 3.2Å; K113-F115 VanDerWaalsContact O-N 3.11Å; F115-D117 VanDerWaalsContact C-N 3.25Å; F115-D117 PolarHBondContact O-N 3.32Å; F115-A129 HydrophobicContact CD2-CB 4.3Å; F115-V131 HydrophobicContact CE2-CG2 3.97Å
116	G	70.9	Confident	71.5	Confident	49 Å²	49	72.8 Å²	72.8	51%	0.505	40%	0.399	S	S	.	.			trans	70	21.1	175.3	0	0	0	0	0	114.1	K113 A114 H118	K113-G116 PolarHBondContact O-N 3.43Å; K113-G116 VanDerWaalsContact O-N 3.08Å; A114-G116 PolarHBondContact O-N 2.97Å; G116-H118 PolarHBondContact O-N 3.32Å
117	D	63.4	Low	70	Confident	45 Å²	45	75.6 Å²	75.6	24%	0.241	41%	0.411	C	S	.	.			trans	-64.4	17.2	175.4	-63.5	-13.9	0	0	0	114	R76 F115 C119	R76-D117 IonicContact CZ-OD1 3.49Å; R76-D117 IonicContact CZ-OD2 3.29Å; R76-D117 VanDerWaalsContact CZ-OD2 3.29Å; R76-D117 IonicContact NE-OD2 3.06Å; R76-D117 PolarHBondContact NE-OD2 3.4Å; R76-D117 IonicContact NH1-OD1 2.86Å; R76-D117 IonicContact NH2-OD1 2.59Å; R76-D117 PolarHBondContact NH2-OD1 2.94Å; R76-D117 IonicContact NH2-OD2 2.6Å; R76-D117 PolarHBondContact NH2-OD2 3.44Å; F115-D117 VanDerWaalsContact C-N 3.25Å; F115-D117 PolarHBondContact O-N 3.32Å; D117-C119 PolarHBondContact O-N 2.89Å
118	H	54	Low	69.2	Low	103 Å²	103	75.2 Å²	75.2	48%	0.477	41%	0.412	S	S	.	.			trans	-68.8	80.7	170.7	-51.8	-46	0	0	0	107.8	G116 T120	G116-H118 PolarHBondContact O-N 3.32Å; H118-T120 PolarHBondContact O-N 2.88Å
119	C	50.9	Low	68.6	Low	92 Å²	92	73.6 Å²	73.6	62%	0.622	41%	0.405	S	S	*	.			trans	-57.9	135.1	163.2	-63.1	0	0	0	0	107	D117 S121 S124	D117-C119 PolarHBondContact O-N 2.89Å; C119-S121 PolarHBondContact O-N 3.42Å; C119-S124 PolarHBondContact N-OG 2.89Å; C119-S124 WeakPolarHBondContact O-CB 3.12Å; C119-S124 PolarHBondContact O-OG 3.4Å
120	T	51.6	Low	68.4	Low	159 Å²	159	72.7 Å²	72.7	98%	0.975	40%	0.397	S	S	*	.	S	Bend	trans	-63.9	18.5	-173.6	42.2	0	0	0	0	115.4	H118	H118-T120 PolarHBondContact O-N 2.88Å
121	S	54.5	Low	68.4	Low	56 Å²	56	71.8 Å²	71.8	39%	0.392	39%	0.393	S	S	.	.	S	Bend	trans	-97.5	137.3	177.8	162.4	0	0	0	0	110.9	C119 I123 S124	C119-S121 PolarHBondContact O-N 3.42Å; S121-I123 PolarHBondContact O-N 3.01Å; S121-I123 PolarHBondContact OG-N 2.89Å; S121-S124 VanDerWaalsContact O-CB 3.25Å; S121-S124 WeakPolarHBondContact O-CB 3.37Å; S121-S124 PolarHBondContact O-N 2.7Å
122	L	51.5	Low	68.7	Low	153 Å²	153	68.7 Å²	68.7	80%	0.801	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.5	174.4	-73.9	170.2	0	0	0	113.5
123	I	53.5	Low	69.1	Low	130 Å²	130	67.8 Å²	67.8	67%	0.667	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-21.1	177.7	-60.4	160.7	0	0	0	111.2	S121 F125 F127	S121-I123 PolarHBondContact O-N 3.01Å; S121-I123 PolarHBondContact OG-N 2.89Å; I123-F125 PolarHBondContact O-N 3.07Å; I123-F127 HydrophobicContact CG2-CE2 4.5Å; I123-F127 WeakPolarHBondContact O-CE2 3.27Å
124	S	52.1	Low	69.5	Low	14 Å²	14	61.7 Å²	61.7	10%	0.098	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-76.9	-17.8	-177.2	-166.2	0	0	0	0	114.1	C119 S121 F126 F127	C119-S124 PolarHBondContact N-OG 2.89Å; C119-S124 WeakPolarHBondContact O-CB 3.12Å; C119-S124 PolarHBondContact O-OG 3.4Å; S121-S124 VanDerWaalsContact O-CB 3.25Å; S121-S124 WeakPolarHBondContact O-CB 3.37Å; S121-S124 PolarHBondContact O-N 2.7Å; S124-F126 PolarHBondContact O-N 3.05Å; S124-F127 PolarHBondContact O-N 3.15Å
125	F	53.4	Low	70	Confident	156 Å²	156	61.7 Å²	61.7	68%	0.684	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-57.6	-21.8	-176.4	-93.6	-88.5	0	0	0	115	I123	I123-F125 PolarHBondContact O-N 3.07Å
126	F	59.2	Low	70.6	Confident	175 Å²	175	62.5 Å²	62.5	77%	0.768	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-91.6	-7.6	179.5	-73.1	-80.8	0	0	0	114.5	S124	S124-F126 PolarHBondContact O-N 3.05Å
127	F	63.3	Low	71.5	Confident	65 Å²	65	61.7 Å²	61.7	29%	0.285	32%	0.322	S	S	.	.			trans	-89.5	127.3	-177.2	-66	-86.7	0	0	0	110.7	A79 R81 I123 S124	A79-F127 HydrophobicContact CB-CD1 4.27Å; A79-F127 WeakPolarHBondContact O-CD1 3.49Å; R81-F127 HydrophobicContact CB-CD1 4.32Å; R81-F127 HydrophobicContact CB-CE1 3.96Å; I123-F127 HydrophobicContact CG2-CE2 4.5Å; I123-F127 WeakPolarHBondContact O-CE2 3.27Å; S124-F127 PolarHBondContact O-N 3.15Å
128	V	74.6	Confident	72.5	Confident	32 Å²	32	63.6 Å²	63.6	19%	0.194	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.6	171.7	-69.6	0	0	0	0	108.3	T111 K113	T111-V128 HydrophobicContact CG2-CG2 3.83Å; K113-V128 HydrophobicContact CD-CG1 4.45Å; K113-V128 HydrophobicContact CG-CG1 3.9Å
129	A	81.5	Confident	73.9	Confident	3 Å²	3	62.9 Å²	62.9	3%	0.025	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	139.4	171.3	0	0	0	0	0	108.8	R76 T111 T112 F115	R76-A129 HydrophobicContact CG-CB 4.06Å; T111-A129 CarbonylContact C-O 3.55Å; T111-A129 VanDerWaalsContact CA-O 3.29Å; T111-A129 WeakPolarHBondContact CA-O 3.41Å; T112-A129 HydrophobicContact CG2-CB 4.13Å; T112-A129 PolarHBondContact N-O 3.2Å; T112-A129 PolarHBondContact O-N 3.48Å; F115-A129 HydrophobicContact CD2-CB 4.3Å
130	V	86.7	Confident	75.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.6	170.7	178.3	0	0	0	0	107.9	R76 I77 C80 L82 L88 T111 L132 V220	R76-V130 CarbonylContact C-O 3.5Å; R76-V130 WeakPolarHBondContact CA-O 3.48Å; I77-V130 HydrophobicContact CB-CB 4.37Å; I77-V130 HydrophobicContact CD1-CB 4.43Å; I77-V130 HydrophobicContact CD1-CG1 4.44Å; I77-V130 PolarHBondContact N-O 3.36Å; I77-V130 PolarHBondContact O-N 2.92Å; C80-V130 HydrophobicContact CB-CG2 3.99Å; L82-V130 HydrophobicContact CD1-CG2 3.74Å; L82-V130 HydrophobicContact CD2-CG2 3.92Å; L82-V130 HydrophobicContact CG-CG2 3.72Å; L88-V130 HydrophobicContact CD2-CG1 4.38Å; T111-V130 HydrophobicContact CG2-CG2 4.26Å; V130-L132 HydrophobicContact CG1-CD1 4.15Å; V130-V220 HydrophobicContact CG1-CG1 4.29Å
131	V	91	Very high	77.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125	178	179.5	0	0	0	0	108.5	L74 R75 R76 A109 F110 T112 F115	L74-V131 HydrophobicContact CB-CG1 3.94Å; L74-V131 HydrophobicContact CD2-CG1 4.2Å; L74-V131 HydrophobicContact CG-CG1 3.95Å; R75-V131 CarbonylContact O-C 3.52Å; R75-V131 WeakPolarHBondContact O-CA 3.44Å; R76-V131 HydrophobicContact CB-CG2 4.34Å; R76-V131 HydrophobicContact CG-CG2 4.38Å; A109-V131 CarbonylContact C-O 3.58Å; A109-V131 WeakPolarHBondContact CA-O 3.35Å; F110-V131 HydrophobicContact CD2-CB 4.19Å; F110-V131 HydrophobicContact CE1-CB 4.22Å; F110-V131 HydrophobicContact CE1-CG1 4.06Å; F110-V131 HydrophobicContact CE2-CB 3.67Å; F110-V131 HydrophobicContact CE2-CG1 4.13Å; F110-V131 HydrophobicContact CE2-CG2 3.99Å; F110-V131 HydrophobicContact CZ-CB 3.69Å; F110-V131 HydrophobicContact CZ-CG1 3.63Å; F110-V131 HydrophobicContact CZ-CG2 4.32Å; F110-V131 PolarHBondContact N-O 3.14Å; F110-V131 PolarHBondContact O-N 3.15Å; T112-V131 HydrophobicContact CG2-CG2 3.72Å; F115-V131 HydrophobicContact CE2-CG2 3.97Å
132	L	92.5	Very high	78.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132	170.8	-64.6	96.5	0	0	0	109	R75 I77 L106 A109 V130 Y134 M217 V220	R75-L132 PolarHBondContact N-O 3.45Å; R75-L132 PolarHBondContact O-N 3.3Å; I77-L132 HydrophobicContact CD1-CD1 3.5Å; I77-L132 VanDerWaalsContact CD1-CD1 3.5Å; I77-L132 HydrophobicContact CG1-CD1 4.08Å; L106-L132 HydrophobicContact CD1-CB 3.98Å; L106-L132 HydrophobicContact CD1-CD2 4.04Å; L106-L132 HydrophobicContact CD2-CD2 4.44Å; A109-L132 HydrophobicContact CB-CG 4.02Å; V130-L132 HydrophobicContact CG1-CD1 4.15Å; L132-Y134 HydrophobicContact CB-CD2 4.31Å; L132-Y134 HydrophobicContact CB-CE2 3.54Å; L132-M217 HydrophobicContact CD1-CG 4.24Å; L132-M217 HydrophobicContact CD2-CB 4.24Å; L132-M217 HydrophobicContact CD2-CG 4.49Å; L132-V220 HydrophobicContact CD2-CG2 4.37Å
133	V	95.2	Very high	80.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.8	-177.6	-173.8	0	0	0	0	110.1	Y45 Y72 L74 K107 E108 F110	Y45-V133 HydrophobicContact CE1-CG1 3.88Å; Y45-V133 HydrophobicContact CE1-CG2 4.48Å; Y45-V133 HydrophobicContact CE2-CG2 3.84Å; Y45-V133 WeakPolarHBondContact OH-CG1 3.32Å; Y72-V133 HydrophobicContact CD1-CG1 3.93Å; Y72-V133 HydrophobicContact CG-CG1 3.84Å; L74-V133 HydrophobicContact CD1-CG1 4.4Å; L74-V133 HydrophobicContact CG-CG2 4.43Å; K107-V133 HydrophobicContact CB-CB 4.34Å; K107-V133 HydrophobicContact CB-CG1 4.29Å; K107-V133 PolarHBondContact N-O 3.14Å; E108-V133 HydrophobicContact CG-CB 3.94Å; E108-V133 HydrophobicContact CG-CG2 3.75Å; E108-V133 PolarHBondContact O-N 2.92Å; F110-V133 HydrophobicContact CD1-CG2 4.43Å; F110-V133 HydrophobicContact CE1-CG2 3.73Å
134	Y	94.9	Very high	82.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.7	178.8	-65.7	-89.4	0	0	0	111.3	Y72 C73 R75 V104 R105 L106 L132 F136 C215	Y72-Y134 WeakPolarHBondContact CD1-O 3.37Å; C73-Y134 PolarHBondContact N-O 2.84Å; C73-Y134 PolarHBondContact O-N 3.36Å; R75-Y134 HydrophobicContact CB-CD2 4.23Å; R75-Y134 HydrophobicContact CB-CE2 4.01Å; V104-Y134 HydrophobicContact CG1-CD1 4.16Å; V104-Y134 HydrophobicContact CG1-CG 4.41Å; R105-Y134 WeakPolarHBondContact O-CA 3.39Å; L106-Y134 HydrophobicContact CB-CD1 4.2Å; L106-Y134 HydrophobicContact CB-CE1 3.93Å; L106-Y134 HydrophobicContact CD1-CD1 4.17Å; L106-Y134 HydrophobicContact CD1-CD2 4.48Å; L106-Y134 HydrophobicContact CD1-CE1 3.74Å; L106-Y134 HydrophobicContact CD1-CE2 4.09Å; L106-Y134 HydrophobicContact CG-CE1 4.34Å; L132-Y134 HydrophobicContact CB-CD2 4.31Å; L132-Y134 HydrophobicContact CB-CE2 3.54Å; Y134-F136 PolarHBondContact O-N 3.35Å; Y134-C215 PolarHBondContact OH-O 3.41Å; Y134-C215 VanDerWaalsContact OH-O 3.13Å
135	D	94.4	Very high	83.7	Confident	45 Å²	45	46.4 Å²	46.4	24%	0.241	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	132.8	167.1	-83.9	-26.7	0	0	0	110.6	V104 R105 K107	V104-D135 HydrophobicContact CG1-CB 4.36Å; V104-D135 WeakPolarHBondContact CG1-O 3.3Å; R105-D135 VanDerWaalsContact CB-OD2 3.31Å; R105-D135 WeakPolarHBondContact CB-OD2 3.29Å; R105-D135 PolarHBondContact O-N 3.37Å; R105-D135 VanDerWaalsContact O-N 3.08Å; K107-D135 WeakPolarHBondContact CE-OD1 3.06Å; K107-D135 WeakPolarHBondContact CE-OD2 3.03Å; K107-D135 IonicContact NZ-OD1 2.85Å; K107-D135 PolarHBondContact NZ-OD1 3.43Å; K107-D135 IonicContact NZ-OD2 2.79Å; K107-D135 PolarHBondContact NZ-OD2 2.87Å
136	F	93	Very high	85.1	Confident	35 Å²	35	42.6 Å²	42.6	15%	0.154	21%	0.208	C	C	.	.			trans	-86.6	130.5	177.6	-177	-104.1	0	0	0	110.6	Y9 I51 K62 V71 C73 Y134 P138	Y9-F136 HydrophobicContact CD1-CD2 4.45Å; Y9-F136 AromaticContact CD1-CE2 3.93Å; Y9-F136 HydrophobicContact CD1-CE2 3.93Å; I51-F136 HydrophobicContact CD1-CD2 4.46Å; I51-F136 HydrophobicContact CD1-CE2 4.11Å; K62-F136 HydrophobicContact CB-CD2 4.48Å; K62-F136 HydrophobicContact CB-CE2 4.12Å; K62-F136 HydrophobicContact CD-CE1 4.27Å; K62-F136 HydrophobicContact CD-CE2 4.31Å; K62-F136 HydrophobicContact CD-CZ 3.96Å; K62-F136 HydrophobicContact CG-CD2 4.38Å; K62-F136 HydrophobicContact CG-CE2 4.14Å; K62-F136 HydrophobicContact CG-CZ 4.26Å; V71-F136 HydrophobicContact CB-CB 4.42Å; V71-F136 HydrophobicContact CB-CD1 4.29Å; V71-F136 HydrophobicContact CG1-CB 3.93Å; V71-F136 HydrophobicContact CG1-CD1 3.57Å; V71-F136 HydrophobicContact CG1-CD2 4.46Å; V71-F136 HydrophobicContact CG1-CE1 4.2Å; V71-F136 HydrophobicContact CG1-CG 3.73Å; V71-F136 VanDerWaalsContact O-CB 3.31Å; V71-F136 WeakPolarHBondContact O-CB 3.19Å; C73-F136 HydrophobicContact CB-CD2 4.26Å; Y134-F136 PolarHBondContact O-N 3.35Å; F136-P138 HydrophobicContact CE1-CB 4.06Å
137	H	90.2	Very high	86.1	Confident	31 Å²	31	35.3 Å²	35.3	14%	0.144	18%	0.177	C	C	.	.			trans	-114.5	107.2	176	-67.2	-80.2	0	0	0	109.5	A140 V205 L211	H137-A140 HydrophobicContact CB-CB 3.92Å; H137-A140 VanDerWaalsContact O-CB 3.29Å; H137-A140 WeakPolarHBondContact O-CB 3.39Å; H137-A140 PolarHBondContact O-N 3.48Å; H137-V205 HydrophobicContact CB-CG2 3.98Å; H137-L211 HydrophobicContact CB-CD1 4.26Å; H137-L211 VanDerWaalsContact CG-CD1 3.48Å; H137-L211 WeakPolarHBondContact ND1-CD1 3.35Å
138	P	85.6	Confident	86.6	Confident	85 Å²	85	33 Å²	33	55%	0.552	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	143.3	-179.8	26.8	-33.5	0	0	0	110.6	F136 A140	F136-P138 HydrophobicContact CE1-CB 4.06Å; P138-A140 PolarHBondContact O-N 2.78Å; P138-A140 VanDerWaalsContact O-N 3.12Å
139	S	82	Confident	86.2	Confident	88 Å²	88	34.4 Å²	34.4	62%	0.615	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	16.8	178.2	-46.9	0	0	0	0	114.8	Y9	Y9-S139 PolarHBondContact O-N 3.1Å
140	A	87	Confident	84.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.			trans	-72	127.1	175.5	0	0	0	0	0	110.3	Y9 H137 P138 L203 V204 V205	Y9-A140 WeakPolarHBondContact CB-O 3.32Å; Y9-A140 HydrophobicContact CD2-CB 4.37Å; Y9-A140 WeakPolarHBondContact CD2-O 3.22Å; Y9-A140 HydrophobicContact CG-CB 4.2Å; Y9-A140 VanDerWaalsContact CG-O 3.29Å; H137-A140 HydrophobicContact CB-CB 3.92Å; H137-A140 VanDerWaalsContact O-CB 3.29Å; H137-A140 WeakPolarHBondContact O-CB 3.39Å; H137-A140 PolarHBondContact O-N 3.48Å; P138-A140 PolarHBondContact O-N 2.78Å; P138-A140 VanDerWaalsContact O-N 3.12Å; A140-L203 HydrophobicContact CB-CB 4.21Å; A140-L203 HydrophobicContact CB-CD1 4.11Å; A140-V204 WeakPolarHBondContact CA-O 3.44Å; A140-V205 HydrophobicContact CB-CG2 3.85Å
141	E	86.8	Confident	83	Confident	46 Å²	46	49.1 Å²	49.1	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.1	173	66.7	-166.4	112	0	0	110.6	F145 R146 L203 V204	E141-F145 HydrophobicContact CB-CD1 4.17Å; E141-F145 VanDerWaalsContact OE2-CD1 3.23Å; E141-F145 WeakPolarHBondContact OE2-CD1 3.49Å; E141-R146 HydrophobicContact CG-CB 4.24Å; E141-R146 IonicContact OE1-CZ 2.83Å; E141-R146 IonicContact OE1-NE 2.81Å; E141-R146 PolarHBondContact OE1-NE 2.87Å; E141-R146 IonicContact OE1-NH2 3.12Å; E141-R146 PolarHBondContact OE1-NH2 3.45Å; E141-R146 IonicContact OE2-NE 2.67Å; E141-R146 PolarHBondContact OE2-NE 2.95Å; E141-R146 VanDerWaalsContact OE2-NE 3.07Å; E141-L203 CarbonylContact O-C 3.54Å; E141-L203 WeakPolarHBondContact O-CA 3.3Å; E141-V204 HydrophobicContact CG-CB 4.34Å; E141-V204 PolarHBondContact N-O 3.08Å; E141-V204 PolarHBondContact O-N 3.12Å
142	T	89.6	Confident	80.5	Confident	19 Å²	19	53.6 Å²	53.6	12%	0.117	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	147.8	177.1	65.9	0	0	0	0	110.2	F54 R144 F145 R146 S200 I202 L203	F54-T142 HydrophobicContact CE1-CG2 4.37Å; T142-R144 PolarHBondContact O-N 3.01Å; T142-F145 WeakPolarHBondContact O-CA 3.38Å; T142-F145 WeakPolarHBondContact O-CB 3.06Å; T142-F145 PolarHBondContact O-N 3.22Å; T142-F145 WeakPolarHBondContact OG1-CB 3.3Å; T142-F145 PolarHBondContact OG1-N 2.77Å; T142-F145 VanDerWaalsContact OG1-N 3.1Å; T142-R146 PolarHBondContact O-N 2.83Å; T142-S200 WeakPolarHBondContact CG2-O 3.41Å; T142-I202 CarbonylContact C-O 3.53Å; T142-I202 WeakPolarHBondContact CA-O 3.49Å; T142-L203 HydrophobicContact CG2-CD2 4.13Å
143	L	88	Confident	77.9	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56.7	-34.8	174.3	-163.9	78	0	0	0	111.4	R146 H147 Y176 A199 I202 V204 L210 L235 L239	L143-R146 PolarHBondContact O-N 3.22Å; L143-H147 PolarHBondContact O-N 2.83Å; L143-Y176 HydrophobicContact CD1-CD2 3.96Å; L143-Y176 HydrophobicContact CD1-CE2 3.64Å; L143-A199 HydrophobicContact CB-CB 4.38Å; L143-A199 WeakPolarHBondContact CB-O 3.39Å; L143-A199 HydrophobicContact CD2-CB 4.39Å; L143-A199 PolarHBondContact N-O 3.34Å; L143-I202 HydrophobicContact CB-CB 4.2Å; L143-I202 HydrophobicContact CB-CG2 4.19Å; L143-I202 HydrophobicContact CD2-CB 4.48Å; L143-I202 HydrophobicContact CD2-CG2 4.28Å; L143-I202 PolarHBondContact N-O 3.12Å; L143-V204 HydrophobicContact CB-CG2 4.38Å; L143-V204 HydrophobicContact CD1-CG2 3.68Å; L143-L210 HydrophobicContact CD1-CD2 3.94Å; L143-L235 HydrophobicContact CD2-CD1 3.99Å; L143-L239 HydrophobicContact CD2-CD1 3.49Å; L143-L239 VanDerWaalsContact CD2-CD1 3.49Å; L143-L239 HydrophobicContact CD2-CD2 3.59Å; L143-L239 HydrophobicContact CD2-CG 4.05Å; L143-L239 HydrophobicContact CG-CD1 4.46Å; L143-L239 HydrophobicContact CG-CD2 3.83Å
144	R	84.7	Confident	75	Confident	127 Å²	127	68.2 Å²	68.2	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-58.9	-49.5	171.4	-175.9	175.7	-176.9	136.6	0.6	111.4	T142 L148 N149 A199	T142-R144 PolarHBondContact O-N 3.01Å; R144-L148 HydrophobicContact CG-CB 4.1Å; R144-L148 HydrophobicContact CG-CD1 4.42Å; R144-L148 CarbonylContact O-C 3.59Å; R144-L148 VanDerWaalsContact O-CA 3.26Å; R144-L148 WeakPolarHBondContact O-CA 3.29Å; R144-L148 WeakPolarHBondContact O-CB 3.38Å; R144-L148 PolarHBondContact O-N 3.39Å; R144-N149 PolarHBondContact O-N 3.29Å; R144-A199 HydrophobicContact CB-CB 3.97Å; R144-A199 PolarHBondContact N-O 3.29Å
145	F	83.5	Confident	72	Confident	66 Å²	66	75.8 Å²	75.8	29%	0.289	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-45.4	178.5	-176.4	-84.6	0	0	0	111.8	E141 T142 H147 N149	E141-F145 HydrophobicContact CB-CD1 4.17Å; E141-F145 VanDerWaalsContact OE2-CD1 3.23Å; E141-F145 WeakPolarHBondContact OE2-CD1 3.49Å; T142-F145 WeakPolarHBondContact O-CA 3.38Å; T142-F145 WeakPolarHBondContact O-CB 3.06Å; T142-F145 PolarHBondContact O-N 3.22Å; T142-F145 WeakPolarHBondContact OG1-CB 3.3Å; T142-F145 PolarHBondContact OG1-N 2.77Å; T142-F145 VanDerWaalsContact OG1-N 3.1Å; F145-H147 PolarHBondContact O-N 2.67Å; F145-N149 WeakPolarHBondContact CA-OD1 3.49Å; F145-N149 WeakPolarHBondContact CD2-ND2 3.32Å; F145-N149 VanDerWaalsContact CE2-ND2 3.27Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.43Å; F145-N149 WeakPolarHBondContact CG-ND2 3.29Å; F145-N149 PolarHBondContact O-ND2 3.16Å
146	R	83.8	Confident	69.3	Low	76 Å²	76	80.6 Å²	80.6	29%	0.287	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-39.9	-177.4	-178	67.9	74.3	77.9	5.7	113.4	E141 T142 L143 G206	E141-R146 HydrophobicContact CG-CB 4.24Å; E141-R146 IonicContact OE1-CZ 2.83Å; E141-R146 IonicContact OE1-NE 2.81Å; E141-R146 PolarHBondContact OE1-NE 2.87Å; E141-R146 IonicContact OE1-NH2 3.12Å; E141-R146 PolarHBondContact OE1-NH2 3.45Å; E141-R146 IonicContact OE2-NE 2.67Å; E141-R146 PolarHBondContact OE2-NE 2.95Å; E141-R146 VanDerWaalsContact OE2-NE 3.07Å; T142-R146 PolarHBondContact O-N 2.83Å; L143-R146 PolarHBondContact O-N 3.22Å; R146-G206 PolarHBondContact NH2-O 2.88Å
147	H	80.7	Confident	66.5	Low	23 Å²	23	86.6 Å²	86.6	11%	0.106	45%	0.454	C	S	.	.	H	α-helix	trans	-122.9	-20.5	-167.1	-59.7	-66.1	0	0	0	115.4	L143 F145 I168 Y176 L239 R242	L143-H147 PolarHBondContact O-N 2.83Å; F145-H147 PolarHBondContact O-N 2.67Å; H147-I168 HydrophobicContact CB-CD1 3.82Å; H147-I168 HydrophobicContact CB-CG1 4.33Å; H147-I168 VanDerWaalsContact CG-CD1 3.5Å; H147-I168 WeakPolarHBondContact ND1-CG1 3.43Å; H147-Y176 AromaticContact NE2-CE2 3.44Å; H147-Y176 WeakPolarHBondContact NE2-CE2 3.49Å; H147-Y176 AromaticContact NE2-CZ 3.64Å; H147-Y176 PolarHBondContact NE2-OH 3.39Å; H147-L239 HydrophobicContact CB-CD2 4.36Å; H147-R242 VanDerWaalsContact O-CZ 3.26Å; H147-R242 PolarHBondContact O-NH1 3.42Å
148	L	72.8	Confident	63.7	Low	17 Å²	17	90.8 Å²	90.8	9%	0.089	48%	0.482	C	S	.	.	H	α-helix	trans	-119.7	7.6	-170.2	-55.1	177.3	0	0	0	113.7	R144 E150 A199 T238 R242	R144-L148 HydrophobicContact CG-CB 4.1Å; R144-L148 HydrophobicContact CG-CD1 4.42Å; R144-L148 CarbonylContact O-C 3.59Å; R144-L148 VanDerWaalsContact O-CA 3.26Å; R144-L148 WeakPolarHBondContact O-CA 3.29Å; R144-L148 WeakPolarHBondContact O-CB 3.38Å; R144-L148 PolarHBondContact O-N 3.39Å; L148-E150 PolarHBondContact O-N 3.16Å; L148-A199 HydrophobicContact CD1-CB 3.63Å; L148-T238 HydrophobicContact CD1-CG2 3.63Å; L148-T238 HydrophobicContact CD2-CG2 3.93Å; L148-T238 HydrophobicContact CG-CG2 4.46Å; L148-R242 HydrophobicContact CD2-CG 4.49Å
149	N	66.3	Low	61	Low	60 Å²	60	92.8 Å²	92.8	32%	0.321	49%	0.493	S	S	.	.			trans	-72.1	119.5	174.1	-85.4	-1.2	0	0	0	110.7	R144 F145	R144-N149 PolarHBondContact O-N 3.29Å; F145-N149 WeakPolarHBondContact CA-OD1 3.49Å; F145-N149 WeakPolarHBondContact CD2-ND2 3.32Å; F145-N149 VanDerWaalsContact CE2-ND2 3.27Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.43Å; F145-N149 WeakPolarHBondContact CG-ND2 3.29Å; F145-N149 PolarHBondContact O-ND2 3.16Å
150	E	52.6	Low	58.6	Low	126 Å²	126	95.3 Å²	95.3	59%	0.589	50%	0.504	S	S	*	.			trans	-95.8	-3.4	176.6	-109.9	166.5	-177.4	0	0	112.8	L148 A152	L148-E150 PolarHBondContact O-N 3.16Å; E150-A152 PolarHBondContact O-N 2.99Å
151	E	48	Very low	55.9	Low	187 Å²	187	99.6 Å²	99.6	87%	0.874	54%	0.535	S	S	*	.			trans	-77.3	36.1	-169.9	-62.3	-174.2	170.3	0	0	115.1
152	A	38.1	Very low	53.2	Low	95 Å²	95	103.3 Å²	103.3	79%	0.785	57%	0.565	S	S	*	*			trans	-104.4	30.3	169.9	0	0	0	0	0	112.7	E150 D154	E150-A152 PolarHBondContact O-N 2.99Å; A152-D154 PolarHBondContact O-N 3.28Å
153	I	37.9	Very low	50.4	Low	154 Å²	154	106.3 Å²	106.3	79%	0.79	59%	0.587	S	S	*	*			trans	-84	87	168.7	-56	177.9	0	0	0	107.1
154	D	34.6	Very low	47.9	Very low	153 Å²	153	112 Å²	112	82%	0.818	63%	0.627	S	S	*	*			trans	-72.4	127.4	169.3	-103.7	-23.7	0	0	0	109.8	A152 N156	A152-D154 PolarHBondContact O-N 3.28Å; D154-N156 PolarHBondContact O-N 2.95Å
155	D	33.2	Very low	46	Very low	158 Å²	158	112.4 Å²	112.4	85%	0.845	63%	0.634	S	S	*	*			trans	-77.8	34.6	-172.7	-128.5	-2.1	0	0	0	113.3
156	N	36.8	Very low	44.5	Very low	146 Å²	146	113.7 Å²	113.7	78%	0.781	65%	0.652	S	S	*	*			trans	-137.7	100.6	-178.4	-82.9	-38.8	0	0	0	112.7	D154	D154-N156 PolarHBondContact O-N 2.95Å
157	L	34.6	Very low	43.4	Very low	162 Å²	162	120.1 Å²	120.1	85%	0.848	68%	0.676	S	S	*	*			trans	27.7	115.8	137.5	-159.8	67.1	0	0	0	117.5
158	T	30.2	Very low	42.8	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.724	68%	0.678	S	S	*	*			trans	87.7	130.3	162.1	72.5	0	0	0	0	118.5
159	T	30.7	Very low	42.6	Very low	127 Å²	127	123 Å²	123	78%	0.779	70%	0.696	S	S	*	*			trans	84.9	93.6	169.9	68.4	0	0	0	0	117.4	S161	T159-S161 PolarHBondContact O-N 3.18Å
160	V	30.3	Very low	42.7	Very low	141 Å²	141	124.7 Å²	124.7	86%	0.855	70%	0.702	S	S	*	*			trans	-51.8	96.2	161.2	-178.2	0	0	0	0	109.4
161	S	29.9	Very low	43.6	Very low	91 Å²	91	121.8 Å²	121.8	64%	0.636	70%	0.699	S	S	*	*			trans	-108.2	80	165.2	48.4	0	0	0	0	108.6	T159 S163	T159-S161 PolarHBondContact O-N 3.18Å; S161-S163 PolarHBondContact O-N 3.41Å
162	S	31.8	Very low	45.2	Very low	123 Å²	123	115.2 Å²	115.2	86%	0.86	67%	0.67	S	S	*	*			trans	-68.8	35.2	166.8	47.2	0	0	0	0	112.5
163	S	29.5	Very low	47.2	Very low	83 Å²	83	111.8 Å²	111.8	58%	0.58	64%	0.638	S	S	*	*			trans	-127	119.9	-166.6	48.8	0	0	0	0	111.7	S161	S161-S163 PolarHBondContact O-N 3.41Å
164	S	35.7	Very low	49	Very low	119 Å²	119	106.6 Å²	106.6	83%	0.832	61%	0.609	S	S	*	*			trans	97.4	22.8	169.9	80.2	0	0	0	0	120.2	S166	S164-S166 PolarHBondContact O-N 2.69Å
165	Q	45.7	Very low	51.4	Low	135 Å²	135	103.6 Å²	103.6	63%	0.631	59%	0.59	S	S	*	*			trans	-68	86.3	156	-76.7	-170.7	5.6	0	0	109.8	R167	Q165-R167 PolarHBondContact O-N 2.92Å; Q165-R167 VanDerWaalsContact O-N 3.08Å
166	S	50.9	Low	54	Low	94 Å²	94	96.2 Å²	96.2	66%	0.657	55%	0.55	S	S	*	.			trans	-61.9	114.5	-178.9	67.2	0	0	0	0	109.8	S164	S164-S166 PolarHBondContact O-N 2.69Å
167	R	61.5	Low	56.2	Low	210 Å²	210	89.6 Å²	89.6	79%	0.792	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-56.9	143.8	169	-67.4	179.8	-176.2	159.7	1.4	108.4	Q165 P169	Q165-R167 PolarHBondContact O-N 2.92Å; Q165-R167 VanDerWaalsContact O-N 3.08Å; R167-P169 VanDerWaalsContact O-CD 3.26Å; R167-P169 WeakPolarHBondContact O-CD 3.37Å; R167-P169 VanDerWaalsContact O-N 3.12Å
168	I	68.1	Low	58.5	Low	28 Å²	28	86.8 Å²	86.8	14%	0.144	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-57.5	120.7	177.2	-52.7	-178.3	0	0	0	107.8	H147 E170 I172 L173 Y176 L239	H147-I168 HydrophobicContact CB-CD1 3.82Å; H147-I168 HydrophobicContact CB-CG1 4.33Å; H147-I168 VanDerWaalsContact CG-CD1 3.5Å; H147-I168 WeakPolarHBondContact ND1-CG1 3.43Å; I168-E170 PolarHBondContact O-N 3.27Å; I168-I172 HydrophobicContact CG2-CB 4.07Å; I168-I172 HydrophobicContact CG2-CG2 3.96Å; I168-L173 HydrophobicContact CG2-CB 4.28Å; I168-Y176 HydrophobicContact CG2-CE2 4.39Å; I168-L239 HydrophobicContact CD1-CB 3.96Å; I168-L239 HydrophobicContact CD1-CD2 3.87Å; I168-L239 HydrophobicContact CD1-CG 4.49Å
169	P	69.2	Low	61.3	Low	74 Å²	74	81.4 Å²	81.4	48%	0.481	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-54.8	135.9	175.1	-26	34.1	0	0	0	110	R167 A171 I172 L173	R167-P169 VanDerWaalsContact O-CD 3.26Å; R167-P169 WeakPolarHBondContact O-CD 3.37Å; R167-P169 VanDerWaalsContact O-N 3.12Å; P169-A171 PolarHBondContact O-N 2.94Å; P169-A171 VanDerWaalsContact O-N 3.15Å; P169-I172 HydrophobicContact CB-CD1 4.3Å; P169-I172 HydrophobicContact CB-CG1 4.24Å; P169-I172 HydrophobicContact CG-CD1 3.98Å; P169-I172 HydrophobicContact CG-CG1 4.47Å; P169-I172 WeakPolarHBondContact O-CA 3.36Å; P169-I172 WeakPolarHBondContact O-CB 3.46Å; P169-I172 PolarHBondContact O-N 3.18Å; P169-L173 PolarHBondContact O-N 2.94Å; P169-L173 VanDerWaalsContact O-N 3.09Å
170	E	67.1	Low	64.2	Low	95 Å²	95	75.5 Å²	75.5	44%	0.444	43%	0.43	S	S	.	.	H	α-helix	trans	-55.4	-39.9	-173.7	-162.2	-165.7	139.9	0	0	112.2	I168 I172 L173 W174 R296	I168-E170 PolarHBondContact O-N 3.27Å; E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.21Å; E170-L173 WeakPolarHBondContact O-CB 3.24Å; E170-L173 PolarHBondContact O-N 2.7Å; E170-L173 VanDerWaalsContact O-N 3.14Å; E170-W174 PolarHBondContact O-N 2.48Å; E170-W174 PolarHBondContact OE1-NE1 3.17Å; E170-R296 VanDerWaalsContact OE1-CD 3.23Å; E170-R296 WeakPolarHBondContact OE1-CD 3.13Å; E170-R296 IonicContact OE1-CZ 3.04Å; E170-R296 IonicContact OE1-NE 2.66Å; E170-R296 PolarHBondContact OE1-NE 3.44Å; E170-R296 IonicContact OE1-NH1 2.73Å; E170-R296 PolarHBondContact OE1-NH1 3.12Å
171	A	72.8	Confident	66.8	Low	64 Å²	64	70.2 Å²	70.2	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-57.8	-37.5	176	0	0	0	0	0	112.9	P169 Q175	P169-A171 PolarHBondContact O-N 2.94Å; P169-A171 VanDerWaalsContact O-N 3.15Å; A171-Q175 WeakPolarHBondContact O-CG 3.5Å; A171-Q175 PolarHBondContact O-N 3.37Å; A171-Q175 VanDerWaalsContact O-N 3.15Å
172	I	81.1	Confident	69.6	Low	49 Å²	49	66.9 Å²	66.9	25%	0.251	38%	0.376	S	S	.	.	H	α-helix	trans	-72.3	-41.9	177	-64.1	-176.9	0	0	0	110.1	I168 P169 E170 W174 Q175 Y176	I168-I172 HydrophobicContact CG2-CB 4.07Å; I168-I172 HydrophobicContact CG2-CG2 3.96Å; P169-I172 HydrophobicContact CB-CD1 4.3Å; P169-I172 HydrophobicContact CB-CG1 4.24Å; P169-I172 HydrophobicContact CG-CD1 3.98Å; P169-I172 HydrophobicContact CG-CG1 4.47Å; P169-I172 WeakPolarHBondContact O-CA 3.36Å; P169-I172 WeakPolarHBondContact O-CB 3.46Å; P169-I172 PolarHBondContact O-N 3.18Å; E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.21Å; I172-W174 VanDerWaalsContact C-N 3.26Å; I172-W174 PolarHBondContact O-N 2.98Å; I172-Q175 WeakPolarHBondContact O-CB 3.27Å; I172-Q175 PolarHBondContact O-N 3.23Å; I172-Y176 HydrophobicContact CG2-CD1 4.39Å; I172-Y176 HydrophobicContact CG2-CD2 4.29Å; I172-Y176 HydrophobicContact CG2-CE1 3.76Å; I172-Y176 HydrophobicContact CG2-CE2 3.59Å; I172-Y176 VanDerWaalsContact CG2-OH 3.29Å; I172-Y176 WeakPolarHBondContact CG2-OH 3.22Å; I172-Y176 WeakPolarHBondContact O-CD1 3.26Å; I172-Y176 VanDerWaalsContact O-CG 3.3Å; I172-Y176 PolarHBondContact O-N 3.03Å
173	L	78.8	Confident	72.4	Confident	23 Å²	23	61 Å²	61	12%	0.12	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-40.5	175.5	-177.4	63	0	0	0	111.4	I168 P169 E170 Y176 I177 L239 A240	I168-L173 HydrophobicContact CG2-CB 4.28Å; P169-L173 PolarHBondContact O-N 2.94Å; P169-L173 VanDerWaalsContact O-N 3.09Å; E170-L173 WeakPolarHBondContact O-CB 3.24Å; E170-L173 PolarHBondContact O-N 2.7Å; E170-L173 VanDerWaalsContact O-N 3.14Å; L173-Y176 WeakPolarHBondContact O-CB 3.34Å; L173-Y176 PolarHBondContact O-N 3.43Å; L173-I177 HydrophobicContact CG-CD1 4.11Å; L173-I177 WeakPolarHBondContact O-CG1 3.2Å; L173-I177 PolarHBondContact O-N 3.34Å; L173-L239 HydrophobicContact CD1-CB 3.87Å; L173-L239 HydrophobicContact CD1-CD1 4.3Å; L173-A240 HydrophobicContact CD2-CB 4.12Å
174	W	77.1	Confident	75.2	Confident	46 Å²	46	57.2 Å²	57.2	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-43.2	174.9	-79.6	117.2	0	0	0	113.9	E170 I172 Y176 I177 I178 G292 F295 R296	E170-W174 PolarHBondContact O-N 2.48Å; E170-W174 PolarHBondContact OE1-NE1 3.17Å; I172-W174 VanDerWaalsContact C-N 3.26Å; I172-W174 PolarHBondContact O-N 2.98Å; W174-Y176 PolarHBondContact O-N 3.31Å; W174-I177 HydrophobicContact CD2-CD1 4.47Å; W174-I177 HydrophobicContact CE3-CB 4.25Å; W174-I177 HydrophobicContact CE3-CD1 3.92Å; W174-I177 HydrophobicContact CE3-CG2 4.27Å; W174-I177 HydrophobicContact CZ3-CD1 4.03Å; W174-I177 HydrophobicContact CZ3-CG2 4.19Å; W174-I177 PolarHBondContact O-N 2.84Å; W174-I178 VanDerWaalsContact O-CG1 3.3Å; W174-I178 WeakPolarHBondContact O-CG1 3.28Å; W174-I178 PolarHBondContact O-N 3.02Å; W174-G292 VanDerWaalsContact CH2-CA 3.4Å; W174-G292 VanDerWaalsContact CH2-O 3.24Å; W174-G292 WeakPolarHBondContact CH2-O 3.37Å; W174-G292 VanDerWaalsContact CZ2-CA 3.49Å; W174-G292 WeakPolarHBondContact CZ2-O 3.43Å; W174-F295 HydrophobicContact CH2-CB 3.78Å; W174-F295 AromaticContact CH2-CD1 3.23Å; W174-F295 HydrophobicContact CH2-CD1 3.23Å; W174-F295 HydrophobicContact CH2-CE1 4.11Å; W174-F295 AromaticContact CH2-CG 3.74Å; W174-F295 HydrophobicContact CH2-CG 3.74Å; W174-F295 HydrophobicContact CZ2-CD1 4.2Å; W174-F295 HydrophobicContact CZ3-CB 4.38Å; W174-F295 AromaticContact CZ3-CD1 3.66Å; W174-F295 HydrophobicContact CZ3-CD1 3.66Å; W174-F295 HydrophobicContact CZ3-CE1 4.22Å; W174-F295 HydrophobicContact CZ3-CG 4.07Å; W174-R296 HydrophobicContact CZ2-CG 3.74Å; W174-R296 VanDerWaalsContact NE1-NH1 3.19Å
175	Q	83.5	Confident	77.6	Confident	89 Å²	89	59.8 Å²	59.8	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-57.3	-38.9	174.2	-71.9	173.5	22	0	0	110.8	A171 I172 A179 S208	A171-Q175 WeakPolarHBondContact O-CG 3.5Å; A171-Q175 PolarHBondContact O-N 3.37Å; A171-Q175 VanDerWaalsContact O-N 3.15Å; I172-Q175 WeakPolarHBondContact O-CB 3.27Å; I172-Q175 PolarHBondContact O-N 3.23Å; Q175-A179 VanDerWaalsContact O-CB 3.3Å; Q175-A179 WeakPolarHBondContact O-CB 3.46Å; Q175-A179 PolarHBondContact O-N 3.46Å; Q175-S208 PolarHBondContact OE1-OG 3.39Å; Q175-S208 VanDerWaalsContact OE1-OG 3.05Å
176	Y	88.2	Confident	79.6	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-65.5	-46.6	176.4	-62.8	-14.7	0	0	0	112.7	L143 H147 I168 I172 L173 W174 I178 A179 I180 L210	L143-Y176 HydrophobicContact CD1-CD2 3.96Å; L143-Y176 HydrophobicContact CD1-CE2 3.64Å; H147-Y176 AromaticContact NE2-CE2 3.44Å; H147-Y176 WeakPolarHBondContact NE2-CE2 3.49Å; H147-Y176 AromaticContact NE2-CZ 3.64Å; H147-Y176 PolarHBondContact NE2-OH 3.39Å; I168-Y176 HydrophobicContact CG2-CE2 4.39Å; I172-Y176 HydrophobicContact CG2-CD1 4.39Å; I172-Y176 HydrophobicContact CG2-CD2 4.29Å; I172-Y176 HydrophobicContact CG2-CE1 3.76Å; I172-Y176 HydrophobicContact CG2-CE2 3.59Å; I172-Y176 VanDerWaalsContact CG2-OH 3.29Å; I172-Y176 WeakPolarHBondContact CG2-OH 3.22Å; I172-Y176 WeakPolarHBondContact O-CD1 3.26Å; I172-Y176 VanDerWaalsContact O-CG 3.3Å; I172-Y176 PolarHBondContact O-N 3.03Å; L173-Y176 WeakPolarHBondContact O-CB 3.34Å; L173-Y176 PolarHBondContact O-N 3.43Å; W174-Y176 PolarHBondContact O-N 3.31Å; Y176-I178 VanDerWaalsContact C-N 3.34Å; Y176-I178 PolarHBondContact O-N 3.45Å; Y176-A179 PolarHBondContact O-N 3.05Å; Y176-I180 WeakPolarHBondContact O-CB 3.29Å; Y176-I180 WeakPolarHBondContact O-CD1 3.39Å; Y176-I180 VanDerWaalsContact O-CG1 3.29Å; Y176-I180 WeakPolarHBondContact O-CG1 3.47Å; Y176-I180 PolarHBondContact O-N 2.97Å; Y176-L210 VanDerWaalsContact CA-CD1 3.49Å; Y176-L210 VanDerWaalsContact CB-CD1 3.46Å; Y176-L210 HydrophobicContact CD1-CD1 3.32Å; Y176-L210 HydrophobicContact CD1-CD2 3.72Å; Y176-L210 HydrophobicContact CD1-CG 3.35Å; Y176-L210 HydrophobicContact CD2-CD1 4.45Å; Y176-L210 HydrophobicContact CE1-CD1 4.12Å; Y176-L210 HydrophobicContact CE1-CD2 3.64Å; Y176-L210 HydrophobicContact CE1-CG 3.75Å; Y176-L210 HydrophobicContact CG-CD1 3.5Å; Y176-L210 HydrophobicContact CG-CD2 4.4Å; Y176-L210 HydrophobicContact CG-CG 4.07Å
177	I	84.4	Confident	81.4	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-46.2	178.3	-68.8	166.7	0	0	0	110.6	L173 W174 S181 F232 I236 F295	L173-I177 HydrophobicContact CG-CD1 4.11Å; L173-I177 WeakPolarHBondContact O-CG1 3.2Å; L173-I177 PolarHBondContact O-N 3.34Å; W174-I177 HydrophobicContact CD2-CD1 4.47Å; W174-I177 HydrophobicContact CE3-CB 4.25Å; W174-I177 HydrophobicContact CE3-CD1 3.92Å; W174-I177 HydrophobicContact CE3-CG2 4.27Å; W174-I177 HydrophobicContact CZ3-CD1 4.03Å; W174-I177 HydrophobicContact CZ3-CG2 4.19Å; W174-I177 PolarHBondContact O-N 2.84Å; I177-S181 WeakPolarHBondContact O-CB 3.39Å; I177-S181 PolarHBondContact O-N 3.34Å; I177-S181 PolarHBondContact O-OG 3.39Å; I177-F232 HydrophobicContact CB-CZ 4.39Å; I177-F232 HydrophobicContact CG2-CZ 3.98Å; I177-I236 HydrophobicContact CD1-CD1 4.38Å; I177-I236 HydrophobicContact CD1-CG1 4.45Å; I177-I236 HydrophobicContact CD1-CG2 4.09Å; I177-I236 HydrophobicContact CG1-CD1 3.99Å; I177-I236 HydrophobicContact CG1-CG1 3.99Å; I177-F295 HydrophobicContact CD1-CE1 3.77Å; I177-F295 HydrophobicContact CD1-CZ 4.28Å; I177-F295 HydrophobicContact CG2-CZ 4.47Å
178	I	82	Confident	82.5	Confident	103 Å²	103	42.9 Å²	42.9	53%	0.528	22%	0.223	S	C	.	.	H	α-helix	trans	-63.7	-46	180	-67.6	165.3	0	0	0	110.7	W174 Y176 S181 S182	W174-I178 VanDerWaalsContact O-CG1 3.3Å; W174-I178 WeakPolarHBondContact O-CG1 3.28Å; W174-I178 PolarHBondContact O-N 3.02Å; Y176-I178 VanDerWaalsContact C-N 3.34Å; Y176-I178 PolarHBondContact O-N 3.45Å; I178-S181 PolarHBondContact O-N 2.84Å; I178-S182 WeakPolarHBondContact O-CB 3.33Å; I178-S182 PolarHBondContact O-N 3.48Å
179	A	89.5	Confident	83.4	Confident	5 Å²	5	46.3 Å²	46.3	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-49.3	179.4	0	0	0	0	0	112.1	Y102 Q175 Y176 S182 A183 L210	Y102-A179 WeakPolarHBondContact CB-O 3.34Å; Y102-A179 HydrophobicContact CD1-CB 3.47Å; Y102-A179 VanDerWaalsContact CD1-CB 3.47Å; Y102-A179 HydrophobicContact CD2-CB 4.4Å; Y102-A179 HydrophobicContact CE1-CB 3.64Å; Y102-A179 HydrophobicContact CG-CB 3.87Å; Q175-A179 VanDerWaalsContact O-CB 3.3Å; Q175-A179 WeakPolarHBondContact O-CB 3.46Å; Q175-A179 PolarHBondContact O-N 3.46Å; Y176-A179 PolarHBondContact O-N 3.05Å; A179-S182 PolarHBondContact O-N 3.34Å; A179-A183 PolarHBondContact O-N 2.9Å; A179-L210 HydrophobicContact CB-CB 4.03Å
180	I	90.2	Very high	84.3	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-40.3	179.5	-63.5	163.3	0	0	0	110.5	Y176 S182 A183 L184 V197 I202 L210 I212 F232 L235	Y176-I180 WeakPolarHBondContact O-CB 3.29Å; Y176-I180 WeakPolarHBondContact O-CD1 3.39Å; Y176-I180 VanDerWaalsContact O-CG1 3.29Å; Y176-I180 WeakPolarHBondContact O-CG1 3.47Å; Y176-I180 PolarHBondContact O-N 2.97Å; I180-S182 VanDerWaalsContact C-N 3.35Å; I180-S182 PolarHBondContact O-N 3.46Å; I180-A183 WeakPolarHBondContact O-CB 3.09Å; I180-A183 PolarHBondContact O-N 2.67Å; I180-L184 HydrophobicContact CG2-CD1 3.94Å; I180-L184 HydrophobicContact CG2-CG 4.23Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 3.4Å; I180-V197 HydrophobicContact CG2-CG1 4.26Å; I180-I202 HydrophobicContact CD1-CD1 3.85Å; I180-I202 HydrophobicContact CG1-CD1 4.37Å; I180-L210 HydrophobicContact CD1-CD1 4.01Å; I180-L210 HydrophobicContact CG1-CD1 4.06Å; I180-I212 HydrophobicContact CG2-CD1 4.17Å; I180-F232 HydrophobicContact CB-CD2 4.17Å; I180-F232 HydrophobicContact CB-CE2 3.59Å; I180-F232 HydrophobicContact CB-CZ 4.06Å; I180-F232 HydrophobicContact CD1-CD2 4.41Å; I180-F232 HydrophobicContact CD1-CE2 3.98Å; I180-F232 HydrophobicContact CG1-CE2 4.41Å; I180-F232 HydrophobicContact CG2-CD2 3.45Å; I180-F232 VanDerWaalsContact CG2-CD2 3.45Å; I180-F232 HydrophobicContact CG2-CE2 3.39Å; I180-F232 HydrophobicContact CG2-CG 4.1Å; I180-F232 HydrophobicContact CG2-CZ 3.99Å; I180-L235 HydrophobicContact CD1-CD2 3.75Å
181	S	86.4	Confident	85.1	Confident	30 Å²	30	42.6 Å²	42.6	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-41.9	176.6	-58.3	0	0	0	0	111.9	I177 I178 L184 R185 F232	I177-S181 WeakPolarHBondContact O-CB 3.39Å; I177-S181 PolarHBondContact O-N 3.34Å; I177-S181 PolarHBondContact O-OG 3.39Å; I178-S181 PolarHBondContact O-N 2.84Å; S181-L184 PolarHBondContact O-N 3.23Å; S181-R185 WeakPolarHBondContact O-CB 3.46Å; S181-R185 PolarHBondContact O-N 2.82Å; S181-F232 WeakPolarHBondContact OG-CE1 3.26Å; S181-F232 WeakPolarHBondContact OG-CZ 3.08Å
182	S	87.9	Confident	85.8	Confident	21 Å²	21	40.6 Å²	40.6	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-42.1	176	-178.4	0	0	0	0	112	N100 I178 A179 I180 A186	N100-S182 PolarHBondContact ND2-O 3.03Å; I178-S182 WeakPolarHBondContact O-CB 3.33Å; I178-S182 PolarHBondContact O-N 3.48Å; A179-S182 PolarHBondContact O-N 3.34Å; I180-S182 VanDerWaalsContact C-N 3.35Å; I180-S182 PolarHBondContact O-N 3.46Å; S182-A186 PolarHBondContact O-N 3.43Å; S182-A186 VanDerWaalsContact O-N 3.13Å
183	A	91.3	Very high	86.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-50.6	174.1	0	0	0	0	0	111.9	V103 A179 I180 R185 A186 I187 I212	V103-A183 HydrophobicContact CG2-CB 3.61Å; A179-A183 PolarHBondContact O-N 2.9Å; I180-A183 WeakPolarHBondContact O-CB 3.09Å; I180-A183 PolarHBondContact O-N 2.67Å; A183-R185 VanDerWaalsContact C-N 3.34Å; A183-R185 PolarHBondContact O-N 3.29Å; A183-A186 PolarHBondContact O-N 3.34Å; A183-I187 VanDerWaalsContact O-CG1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.37Å; A183-I187 PolarHBondContact O-N 3.4Å; A183-I212 HydrophobicContact CB-CD1 3.51Å; A183-I212 HydrophobicContact CB-CG1 4.11Å
184	L	88	Confident	86.4	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-41.4	179.9	-71.7	177.9	0	0	0	111.9	I180 S181 A186 I187 H188 A194 V197 D228 L229 F232	I180-L184 HydrophobicContact CG2-CD1 3.94Å; I180-L184 HydrophobicContact CG2-CG 4.23Å; I180-L184 WeakPolarHBondContact O-CB 3.35Å; I180-L184 WeakPolarHBondContact O-CG 3.22Å; I180-L184 PolarHBondContact O-N 3.4Å; S181-L184 PolarHBondContact O-N 3.23Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 2.92Å; L184-I187 PolarHBondContact O-N 3.37Å; L184-H188 WeakPolarHBondContact O-CB 3.45Å; L184-H188 PolarHBondContact O-N 3.49Å; L184-A194 HydrophobicContact CD2-CB 3.59Å; L184-V197 HydrophobicContact CD1-CG2 4.46Å; L184-V197 HydrophobicContact CD2-CG2 3.85Å; L184-D228 HydrophobicContact CD2-CB 4.07Å; L184-L229 HydrophobicContact CD1-CD2 4.27Å; L184-F232 HydrophobicContact CD1-CB 4.06Å; L184-F232 HydrophobicContact CD1-CD1 4.02Å; L184-F232 HydrophobicContact CD1-CG 4.06Å
185	R	85.5	Confident	86.7	Confident	172 Å²	172	40.4 Å²	40.4	65%	0.649	22%	0.223	S	C	*	.	H	α-helix	trans	-57.8	-46	174.5	-175.1	178.7	68.9	-145.4	1.4	111.5	S181 A183 S189	S181-R185 WeakPolarHBondContact O-CB 3.46Å; S181-R185 PolarHBondContact O-N 2.82Å; A183-R185 VanDerWaalsContact C-N 3.34Å; A183-R185 PolarHBondContact O-N 3.29Å; R185-S189 VanDerWaalsContact O-CB 3.22Å; R185-S189 WeakPolarHBondContact O-CB 3.33Å; R185-S189 PolarHBondContact O-N 3.41Å; R185-S189 PolarHBondContact O-OG 3.46Å
186	A	87.4	Confident	86.7	Confident	21 Å²	21	36.5 Å²	36.5	17%	0.174	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-45	178	0	0	0	0	0	111.7	N100 S182 A183 L184 S189 A190	N100-A186 HydrophobicContact CB-CB 4.02Å; N100-A186 WeakPolarHBondContact ND2-CB 3.31Å; S182-A186 PolarHBondContact O-N 3.43Å; S182-A186 VanDerWaalsContact O-N 3.13Å; A183-A186 PolarHBondContact O-N 3.34Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-A186 PolarHBondContact O-N 2.92Å; A186-S189 WeakPolarHBondContact CA-OG 3.31Å; A186-S189 PolarHBondContact O-N 3.36Å; A186-S189 PolarHBondContact O-OG 2.92Å; A186-A190 PolarHBondContact O-N 3.19Å
187	I	88.6	Confident	86.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-49.7	178.3	-67.4	170	0	0	0	111.2	W94 I98 V103 A183 L184 S189 A190 L192 A194	W94-I187 HydrophobicContact CH2-CD1 4.15Å; W94-I187 HydrophobicContact CH2-CG1 4.16Å; W94-I187 HydrophobicContact CH2-CG2 3.74Å; W94-I187 HydrophobicContact CZ3-CD1 4.09Å; W94-I187 HydrophobicContact CZ3-CG1 3.93Å; W94-I187 HydrophobicContact CZ3-CG2 4.29Å; I98-I187 HydrophobicContact CD1-CG1 4.23Å; V103-I187 HydrophobicContact CG2-CD1 4.01Å; V103-I187 HydrophobicContact CG2-CG1 4.38Å; A183-I187 VanDerWaalsContact O-CG1 3.31Å; A183-I187 WeakPolarHBondContact O-CG1 3.37Å; A183-I187 PolarHBondContact O-N 3.4Å; L184-I187 PolarHBondContact O-N 3.37Å; I187-S189 PolarHBondContact O-N 3.02Å; I187-A190 WeakPolarHBondContact O-CB 3.05Å; I187-A190 PolarHBondContact O-N 2.98Å; I187-L192 HydrophobicContact CG2-CB 3.87Å; I187-L192 WeakPolarHBondContact CG2-O 3.49Å; I187-L192 PolarHBondContact O-N 2.89Å; I187-L192 VanDerWaalsContact O-N 3.11Å; I187-A194 HydrophobicContact CD1-CB 3.78Å; I187-A194 HydrophobicContact CG2-CB 4.42Å
188	H	85.9	Confident	86.5	Confident	64 Å²	64	39.9 Å²	39.9	30%	0.296	22%	0.224	S	C	.	.	H	α-helix	trans	-67.8	-35.4	-179.4	-64.1	171.9	0	0	0	112.1	L184 A190 G191 L192 D228	L184-H188 WeakPolarHBondContact O-CB 3.45Å; L184-H188 PolarHBondContact O-N 3.49Å; H188-A190 PolarHBondContact O-N 2.96Å; H188-G191 PolarHBondContact O-N 2.68Å; H188-L192 PolarHBondContact CD2-O 3.47Å; H188-D228 IonicContact CD2-OD2 2.67Å; H188-D228 IonicContact CE1-OD2 2.64Å; H188-D228 IonicContact NE2-OD2 3.89Å; H188-D228 PolarHBondContact NE2-OD2 3.26Å
189	S	87	Confident	86.7	Confident	100 Å²	100	35.1 Å²	35.1	70%	0.699	20%	0.2	S	C	*	.	H	α-helix	trans	-64.2	-24.1	175.1	70.4	0	0	0	0	113.4	R185 A186 I187 G191	R185-S189 VanDerWaalsContact O-CB 3.22Å; R185-S189 WeakPolarHBondContact O-CB 3.33Å; R185-S189 PolarHBondContact O-N 3.41Å; R185-S189 PolarHBondContact O-OG 3.46Å; A186-S189 WeakPolarHBondContact CA-OG 3.31Å; A186-S189 PolarHBondContact O-N 3.36Å; A186-S189 PolarHBondContact O-OG 2.92Å; I187-S189 PolarHBondContact O-N 3.02Å; S189-G191 VanDerWaalsContact C-N 3.31Å
190	A	87.6	Confident	86.5	Confident	32 Å²	32	36 Å²	36	26%	0.264	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	2.2	173.6	0	0	0	0	0	113.5	I98 A186 I187 H188 L192	I98-A190 HydrophobicContact CD1-CB 3.57Å; A186-A190 PolarHBondContact O-N 3.19Å; I187-A190 WeakPolarHBondContact O-CB 3.05Å; I187-A190 PolarHBondContact O-N 2.98Å; H188-A190 PolarHBondContact O-N 2.96Å; A190-L192 VanDerWaalsContact C-N 3.26Å; A190-L192 HydrophobicContact CB-CD1 4.21Å; A190-L192 HydrophobicContact CB-CG 4.31Å; A190-L192 PolarHBondContact O-N 3.29Å
191	G	84.2	Confident	86.4	Confident	59 Å²	59	37.7 Å²	37.7	61%	0.608	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	17.9	-174.7	0	0	0	0	0	114.1	H188 S189	H188-G191 PolarHBondContact O-N 2.68Å; S189-G191 VanDerWaalsContact C-N 3.31Å
192	L	86.8	Confident	86.6	Confident	21 Å²	21	36.3 Å²	36.3	11%	0.11	20%	0.203	C	C	.	.			trans	-103.7	168.7	179	-63.5	172.3	0	0	0	110.7	V93 W94 I98 I187 H188 A190	V93-L192 HydrophobicContact CG1-CD1 4.23Å; V93-L192 HydrophobicContact CG1-CD2 3.99Å; V93-L192 HydrophobicContact CG1-CG 4.43Å; W94-L192 HydrophobicContact CD2-CD1 3.8Å; W94-L192 HydrophobicContact CE3-CD1 4.1Å; W94-L192 HydrophobicContact CG-CD1 4.16Å; W94-L192 HydrophobicContact CH2-CB 4.23Å; W94-L192 HydrophobicContact CH2-CD1 4.48Å; W94-L192 HydrophobicContact CZ2-CB 3.99Å; W94-L192 HydrophobicContact CZ2-CD1 4.22Å; W94-L192 HydrophobicContact CZ3-CD1 4.41Å; I98-L192 HydrophobicContact CD1-CD1 4.06Å; I98-L192 HydrophobicContact CG1-CD1 3.79Å; I187-L192 HydrophobicContact CG2-CB 3.87Å; I187-L192 WeakPolarHBondContact CG2-O 3.49Å; I187-L192 PolarHBondContact O-N 2.89Å; I187-L192 VanDerWaalsContact O-N 3.11Å; H188-L192 PolarHBondContact CD2-O 3.47Å; A190-L192 VanDerWaalsContact C-N 3.26Å; A190-L192 HydrophobicContact CB-CD1 4.21Å; A190-L192 HydrophobicContact CB-CG 4.31Å; A190-L192 PolarHBondContact O-N 3.29Å
193	Y	87	Confident	86.8	Confident	92 Å²	92	35.4 Å²	35.4	36%	0.361	20%	0.196	S	C	.	.			trans	-126.8	138.1	176.2	-60.4	-84.9	0	0	0	109.6	W94 D228	W94-Y193 VanDerWaalsContact CZ2-O 3.31Å; W94-Y193 WeakPolarHBondContact CZ2-O 3.49Å; Y193-D228 WeakPolarHBondContact CA-OD2 3.38Å
194	A	87.1	Confident	86.8	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	20%	0.196	C	C	.	.			trans	-70.2	-43.3	-175.8	0	0	0	0	0	111.8	L184 I187 T196 V197 D228	L184-A194 HydrophobicContact CD2-CB 3.59Å; I187-A194 HydrophobicContact CD1-CB 3.78Å; I187-A194 HydrophobicContact CG2-CB 4.42Å; A194-T196 WeakPolarHBondContact O-CG2 3.37Å; A194-T196 PolarHBondContact O-N 3.09Å; A194-T196 PolarHBondContact O-OG1 3.12Å; A194-V197 HydrophobicContact CB-CG2 4.04Å; A194-D228 PolarHBondContact N-OD1 2.97Å; A194-D228 PolarHBondContact N-OD2 2.96Å
195	R	82.8	Confident	86.8	Confident	22 Å²	22	36.7 Å²	36.7	8%	0.083	20%	0.204	C	C	.	.			trans	56.3	-2.4	-179	-53.2	-170.9	-170.3	155	11.1	116.1	F218 D219 S222 E224 Q226 D228	R195-F218 HydrophobicContact CB-CB 4.07Å; R195-F218 HydrophobicContact CB-CD2 4.23Å; R195-F218 HydrophobicContact CB-CG 4.29Å; R195-F218 PolarHBondContact NH1-O 3.04Å; R195-D219 IonicContact CZ-OD1 3.29Å; R195-D219 IonicContact NE-OD1 3.47Å; R195-D219 IonicContact NH1-OD1 3.46Å; R195-D219 PolarHBondContact NH1-OD1 2.82Å; R195-D219 IonicContact NH2-OD1 2.84Å; R195-D219 PolarHBondContact NH2-OD1 3.26Å; R195-S222 PolarHBondContact NH1-O 3.21Å; R195-E224 PolarHBondContact NE-O 3.37Å; R195-Q226 HydrophobicContact CG-CB 4.37Å; R195-Q226 PolarHBondContact O-OE1 3.21Å; R195-D228 WeakPolarHBondContact CA-OD1 3.48Å; R195-D228 PolarHBondContact N-OD1 2.89Å
196	T	82.2	Confident	86.7	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.037	20%	0.196	C	C	.	.			trans	-122.8	21.1	-173.1	64.7	0	0	0	0	113.9	A194 D198 K201 N213 C214 F218	A194-T196 WeakPolarHBondContact O-CG2 3.37Å; A194-T196 PolarHBondContact O-N 3.09Å; A194-T196 PolarHBondContact O-OG1 3.12Å; T196-D198 VanDerWaalsContact C-N 3.29Å; T196-D198 PolarHBondContact O-N 2.98Å; T196-K201 WeakPolarHBondContact O-CB 3.27Å; T196-N213 PolarHBondContact OG1-O 3.2Å; T196-C214 HydrophobicContact CG2-CB 4.12Å; T196-C214 WeakPolarHBondContact CG2-O 3.45Å; T196-F218 HydrophobicContact CG2-CD2 3.45Å; T196-F218 VanDerWaalsContact CG2-CD2 3.45Å; T196-F218 HydrophobicContact CG2-CE2 3.48Å; T196-F218 VanDerWaalsContact CG2-CE2 3.48Å
197	V	85.2	Confident	86.3	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.042	23%	0.227	C	C	.	.			trans	-74.5	81.5	-179.5	-169.2	0	0	0	0	110.6	I180 L184 A194 I202 N231 F232 L235	I180-V197 HydrophobicContact CG2-CG1 4.26Å; L184-V197 HydrophobicContact CD1-CG2 4.46Å; L184-V197 HydrophobicContact CD2-CG2 3.85Å; A194-V197 HydrophobicContact CB-CG2 4.04Å; V197-I202 HydrophobicContact CG1-CD1 4.44Å; V197-N231 HydrophobicContact CB-CB 4.13Å; V197-F232 HydrophobicContact CG1-CB 4.05Å; V197-F232 HydrophobicContact CG1-CD2 4.41Å; V197-L235 HydrophobicContact CG1-CD2 3.98Å
198	D	83.9	Confident	85.8	Confident	75 Å²	75	40.8 Å²	40.8	40%	0.401	24%	0.241	S	C	.	.	S	Bend	trans	-144.2	150.9	178.3	176.1	75.7	0	0	0	110.7	T196 S200 K201 I202	T196-D198 VanDerWaalsContact C-N 3.29Å; T196-D198 PolarHBondContact O-N 2.98Å; D198-S200 PolarHBondContact O-N 3.2Å; D198-S200 VanDerWaalsContact O-N 3.13Å; D198-S200 WeakPolarHBondContact OD2-CA 3Å; D198-S200 WeakPolarHBondContact OD2-CB 3.48Å; D198-S200 PolarHBondContact OD2-N 3.46Å; D198-S200 PolarHBondContact OD2-OG 3.34Å; D198-K201 PolarHBondContact O-N 3.03Å; D198-I202 WeakPolarHBondContact O-CG1 3.25Å; D198-I202 PolarHBondContact O-N 3.42Å; D198-I202 VanDerWaalsContact O-N 3.16Å
199	A	86.4	Confident	85.9	Confident	3 Å²	3	43.6 Å²	43.6	3%	0.025	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.6	-177.2	0	0	0	0	0	113.4	L143 R144 L148 K201 L235	L143-A199 HydrophobicContact CB-CB 4.38Å; L143-A199 WeakPolarHBondContact CB-O 3.39Å; L143-A199 HydrophobicContact CD2-CB 4.39Å; L143-A199 PolarHBondContact N-O 3.34Å; R144-A199 HydrophobicContact CB-CB 3.97Å; R144-A199 PolarHBondContact N-O 3.29Å; L148-A199 HydrophobicContact CD1-CB 3.63Å; A199-K201 VanDerWaalsContact C-N 3.29Å; A199-K201 PolarHBondContact O-N 2.92Å; A199-L235 HydrophobicContact CB-CD1 3.75Å
200	S	84.7	Confident	86.1	Confident	23 Å²	23	39 Å²	39	16%	0.161	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.9	176.6	71.6	0	0	0	0	114.1	F54 T142 D198	F54-S200 WeakPolarHBondContact CE1-O 3.26Å; T142-S200 WeakPolarHBondContact CG2-O 3.41Å; D198-S200 PolarHBondContact O-N 3.2Å; D198-S200 VanDerWaalsContact O-N 3.13Å; D198-S200 WeakPolarHBondContact OD2-CA 3Å; D198-S200 WeakPolarHBondContact OD2-CB 3.48Å; D198-S200 PolarHBondContact OD2-N 3.46Å; D198-S200 PolarHBondContact OD2-OG 3.34Å
201	K	87.8	Confident	86.4	Confident	39 Å²	39	37.6 Å²	37.6	17%	0.17	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-0.3	-176.5	-58	-61.8	177.1	-69.9	0	112.8	F54 T196 D198 A199 N213 C214	F54-K201 HydrophobicContact CD1-CD 4.09Å; T196-K201 WeakPolarHBondContact O-CB 3.27Å; D198-K201 PolarHBondContact O-N 3.03Å; A199-K201 VanDerWaalsContact C-N 3.29Å; A199-K201 PolarHBondContact O-N 2.92Å; K201-N213 WeakPolarHBondContact O-CA 3.49Å; K201-N213 WeakPolarHBondContact O-CB 3.2Å; K201-N213 PolarHBondContact O-N 3.08Å; K201-C214 HydrophobicContact CD-CB 4.46Å
202	I	91.4	Very high	86.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.5	172.4	-68.5	165.4	0	0	0	108	T142 L143 I180 V197 D198 L210 L235	T142-I202 CarbonylContact C-O 3.53Å; T142-I202 WeakPolarHBondContact CA-O 3.49Å; L143-I202 HydrophobicContact CB-CB 4.2Å; L143-I202 HydrophobicContact CB-CG2 4.19Å; L143-I202 HydrophobicContact CD2-CB 4.48Å; L143-I202 HydrophobicContact CD2-CG2 4.28Å; L143-I202 PolarHBondContact N-O 3.12Å; I180-I202 HydrophobicContact CD1-CD1 3.85Å; I180-I202 HydrophobicContact CG1-CD1 4.37Å; V197-I202 HydrophobicContact CG1-CD1 4.44Å; D198-I202 WeakPolarHBondContact O-CG1 3.25Å; D198-I202 PolarHBondContact O-N 3.42Å; D198-I202 VanDerWaalsContact O-N 3.16Å; I202-L210 HydrophobicContact CG2-CB 4.46Å; I202-L210 HydrophobicContact CG2-CD1 3.99Å; I202-L210 HydrophobicContact CG2-CD2 3.86Å; I202-L210 HydrophobicContact CG2-CG 4.35Å; I202-L235 HydrophobicContact CD1-CD2 3.17Å; I202-L235 HydrophobicContact CD1-CG 4.48Å
203	L	92	Very high	87	Confident	3 Å²	3	34 Å²	34	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.6	178.7	-58.9	179.1	0	0	0	110.5	Y9 V104 A140 E141 T142 L210 L211 N213	Y9-L203 HydrophobicContact CD2-CD2 4.2Å; Y9-L203 HydrophobicContact CE1-CD1 4.48Å; Y9-L203 HydrophobicContact CE2-CD1 4.35Å; Y9-L203 HydrophobicContact CE2-CD2 3.49Å; Y9-L203 VanDerWaalsContact CE2-CD2 3.49Å; V104-L203 HydrophobicContact CG2-CD1 4.16Å; A140-L203 HydrophobicContact CB-CB 4.21Å; A140-L203 HydrophobicContact CB-CD1 4.11Å; E141-L203 CarbonylContact O-C 3.54Å; E141-L203 WeakPolarHBondContact O-CA 3.3Å; T142-L203 HydrophobicContact CG2-CD2 4.13Å; L203-L210 CarbonylContact O-C 3.48Å; L203-L210 VanDerWaalsContact O-CA 3.26Å; L203-L210 WeakPolarHBondContact O-CA 3.33Å; L203-L210 WeakPolarHBondContact O-CD2 3.42Å; L203-L211 HydrophobicContact CB-CB 4.32Å; L203-L211 PolarHBondContact N-O 2.9Å; L203-L211 PolarHBondContact O-N 3.43Å; L203-N213 HydrophobicContact CD1-CB 4.08Å; L203-N213 HydrophobicContact CG-CB 4.03Å
204	V	91.5	Very high	87	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.6	169.5	-166.7	0	0	0	0	107.4	A140 E141 L143 R209 L210	A140-V204 WeakPolarHBondContact CA-O 3.44Å; E141-V204 HydrophobicContact CG-CB 4.34Å; E141-V204 PolarHBondContact N-O 3.08Å; E141-V204 PolarHBondContact O-N 3.12Å; L143-V204 HydrophobicContact CB-CG2 4.38Å; L143-V204 HydrophobicContact CD1-CG2 3.68Å; V204-R209 CarbonylContact C-O 3.55Å; V204-R209 WeakPolarHBondContact CA-O 3.41Å; V204-L210 HydrophobicContact CB-CD2 4.23Å; V204-L210 HydrophobicContact CG1-CD2 4.35Å; V204-L210 HydrophobicContact CG2-CD2 3.63Å
205	V	88.1	Confident	87.2	Confident	30 Å²	30	29.6 Å²	29.6	18%	0.182	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.8	175.9	-175.2	0	0	0	0	108.7	H137 A140 K207 R209 L211	H137-V205 HydrophobicContact CB-CG2 3.98Å; A140-V205 HydrophobicContact CB-CG2 3.85Å; V205-K207 PolarHBondContact O-N 2.82Å; V205-R209 HydrophobicContact CB-CB 4.29Å; V205-R209 PolarHBondContact N-O 3.47Å; V205-R209 WeakPolarHBondContact O-CB 3.2Å; V205-R209 PolarHBondContact O-N 3.18Å; V205-L211 HydrophobicContact CG2-CD1 3.56Å; V205-L211 HydrophobicContact CG2-CG 4.4Å
206	G	83.9	Confident	87.3	Confident	46 Å²	46	28.6 Å²	28.6	47%	0.474	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-132	-176.6	0	0	0	0	0	112.1	R146	R146-G206 PolarHBondContact NH2-O 2.88Å
207	K	79.1	Confident	87.4	Confident	190 Å²	190	28.7 Å²	28.7	83%	0.826	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-44.8	-172.2	-65.3	-176.3	-179.6	179.3	0	113.4	V205	V205-K207 PolarHBondContact O-N 2.82Å
208	S	76.3	Confident	87.1	Confident	44 Å²	44	31.4 Å²	31.4	31%	0.308	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151.1	0.8	-171.5	63.4	0	0	0	0	116.5	Q175 L210	Q175-S208 PolarHBondContact OE1-OG 3.39Å; Q175-S208 VanDerWaalsContact OE1-OG 3.05Å; S208-L210 PolarHBondContact O-N 2.76Å
209	R	88.3	Confident	86.8	Confident	122 Å²	122	28.6 Å²	28.6	46%	0.46	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	115.9	-178.2	-179.2	179.8	179	-178.7	-0.2	109.9	V204 V205	V204-R209 CarbonylContact C-O 3.55Å; V204-R209 WeakPolarHBondContact CA-O 3.41Å; V205-R209 HydrophobicContact CB-CB 4.29Å; V205-R209 PolarHBondContact N-O 3.47Å; V205-R209 WeakPolarHBondContact O-CB 3.2Å; V205-R209 PolarHBondContact O-N 3.18Å
210	L	91.7	Very high	86	Confident	4 Å²	4	29 Å²	29	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.6	174.9	-71.2	-165.6	0	0	0	113.6	L143 Y176 A179 I180 I202 L203 V204 S208	L143-L210 HydrophobicContact CD1-CD2 3.94Å; Y176-L210 VanDerWaalsContact CA-CD1 3.49Å; Y176-L210 VanDerWaalsContact CB-CD1 3.46Å; Y176-L210 HydrophobicContact CD1-CD1 3.32Å; Y176-L210 HydrophobicContact CD1-CD2 3.72Å; Y176-L210 HydrophobicContact CD1-CG 3.35Å; Y176-L210 HydrophobicContact CD2-CD1 4.45Å; Y176-L210 HydrophobicContact CE1-CD1 4.12Å; Y176-L210 HydrophobicContact CE1-CD2 3.64Å; Y176-L210 HydrophobicContact CE1-CG 3.75Å; Y176-L210 HydrophobicContact CG-CD1 3.5Å; Y176-L210 HydrophobicContact CG-CD2 4.4Å; Y176-L210 HydrophobicContact CG-CG 4.07Å; A179-L210 HydrophobicContact CB-CB 4.03Å; I180-L210 HydrophobicContact CD1-CD1 4.01Å; I180-L210 HydrophobicContact CG1-CD1 4.06Å; I202-L210 HydrophobicContact CG2-CB 4.46Å; I202-L210 HydrophobicContact CG2-CD1 3.99Å; I202-L210 HydrophobicContact CG2-CD2 3.86Å; I202-L210 HydrophobicContact CG2-CG 4.35Å; L203-L210 CarbonylContact O-C 3.48Å; L203-L210 VanDerWaalsContact O-CA 3.26Å; L203-L210 WeakPolarHBondContact O-CA 3.33Å; L203-L210 WeakPolarHBondContact O-CD2 3.42Å; V204-L210 HydrophobicContact CB-CD2 4.23Å; V204-L210 HydrophobicContact CG1-CD2 4.35Å; V204-L210 HydrophobicContact CG2-CD2 3.63Å; S208-L210 PolarHBondContact O-N 2.76Å
211	L	93.6	Very high	85.1	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	123.7	172.3	-55.5	165.9	0	0	0	109.9	P101 Y102 V104 H137 L203 V205 N213	P101-L211 WeakPolarHBondContact O-CD2 3.35Å; Y102-L211 CarbonylContact O-C 3.59Å; Y102-L211 WeakPolarHBondContact O-CA 3.36Å; V104-L211 HydrophobicContact CG2-CB 3.65Å; V104-L211 HydrophobicContact CG2-CD1 4.3Å; H137-L211 HydrophobicContact CB-CD1 4.26Å; H137-L211 VanDerWaalsContact CG-CD1 3.48Å; H137-L211 WeakPolarHBondContact ND1-CD1 3.35Å; L203-L211 HydrophobicContact CB-CB 4.32Å; L203-L211 PolarHBondContact N-O 2.9Å; L203-L211 PolarHBondContact O-N 3.43Å; V205-L211 HydrophobicContact CG2-CD1 3.56Å; V205-L211 HydrophobicContact CG2-CG 4.4Å; L211-N213 PolarHBondContact O-N 3.4Å
212	I	93	Very high	83.8	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.8	168.7	-51.5	-176	0	0	0	107.8	Y102 V104 I180 A183 C215	Y102-I212 PolarHBondContact O-N 3.21Å; V104-I212 PolarHBondContact N-O 2.8Å; I180-I212 HydrophobicContact CG2-CD1 4.17Å; A183-I212 HydrophobicContact CB-CD1 3.51Å; A183-I212 HydrophobicContact CB-CG1 4.11Å; I212-C215 WeakPolarHBondContact CG2-SG 3.35Å
213	N	91.3	Very high	81.8	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.011	20%	0.201	C	C	.	.			trans	-99.2	164.2	178.6	-164.1	9.5	0	0	0	111.1	Y9 V104 T196 K201 L203 L211 C215	Y9-N213 PolarHBondContact OH-ND2 3.31Å; V104-N213 HydrophobicContact CG2-CB 4.06Å; T196-N213 PolarHBondContact OG1-O 3.2Å; K201-N213 WeakPolarHBondContact O-CA 3.49Å; K201-N213 WeakPolarHBondContact O-CB 3.2Å; K201-N213 PolarHBondContact O-N 3.08Å; L203-N213 HydrophobicContact CD1-CB 4.08Å; L203-N213 HydrophobicContact CG-CB 4.03Å; L211-N213 PolarHBondContact O-N 3.4Å; N213-C215 PolarHBondContact O-N 3.04Å
214	C	87.8	Confident	79.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	65.4	15.2	175.4	-48.3	0	0	0	0	115.5	R75 T196 K201 M217	R75-C214 PolarHBondContact NE-SG 3.33Å; R75-C214 PolarHBondContact NH2-SG 3.05Å; T196-C214 HydrophobicContact CG2-CB 4.12Å; T196-C214 WeakPolarHBondContact CG2-O 3.45Å; K201-C214 HydrophobicContact CD-CB 4.46Å; C214-M217 HydrophobicContact CB-CE 4.3Å; C214-M217 HydrophobicContact CB-SD 4.48Å; C214-M217 VanDerWaalsContact O-CB 3.23Å; C214-M217 WeakPolarHBondContact O-CB 3.45Å; C214-M217 PolarHBondContact O-N 3.13Å
215	C	89.7	Confident	77.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.007	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	138.5	172.9	-66.8	0	0	0	0	110.9	W94 V103 Y134 I212 N213 M217	W94-C215 HydrophobicContact CE3-CB 4.03Å; W94-C215 HydrophobicContact CH2-CB 3.72Å; W94-C215 HydrophobicContact CZ2-CB 4.45Å; W94-C215 HydrophobicContact CZ3-CB 3.48Å; W94-C215 VanDerWaalsContact CZ3-CB 3.48Å; V103-C215 HydrophobicContact CG1-CB 4.18Å; Y134-C215 PolarHBondContact OH-O 3.41Å; Y134-C215 VanDerWaalsContact OH-O 3.13Å; I212-C215 WeakPolarHBondContact CG2-SG 3.35Å; N213-C215 PolarHBondContact O-N 3.04Å; C215-M217 VanDerWaalsContact C-N 3.25Å; C215-M217 PolarHBondContact O-N 3.19Å
216	G	85.3	Confident	76.3	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.021	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-11.9	-175.7	0	0	0	0	0	115.7	F218 D219	G216-F218 VanDerWaalsContact C-N 3.33Å; G216-F218 PolarHBondContact O-N 3.44Å; G216-D219 PolarHBondContact O-N 2.89Å
217	M	84.4	Confident	75.6	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.034	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-41	174.6	-172.5	179.2	70.9	0	0	112.3	T58 R75 I77 L132 C214 C215 V220	T58-M217 HydrophobicContact CG2-SD 4.42Å; R75-M217 VanDerWaalsContact CD-SD 3.51Å; R75-M217 HydrophobicContact CG-SD 4.3Å; I77-M217 HydrophobicContact CD1-CG 3.98Å; L132-M217 HydrophobicContact CD1-CG 4.24Å; L132-M217 HydrophobicContact CD2-CB 4.24Å; L132-M217 HydrophobicContact CD2-CG 4.49Å; C214-M217 HydrophobicContact CB-CE 4.3Å; C214-M217 HydrophobicContact CB-SD 4.48Å; C214-M217 VanDerWaalsContact O-CB 3.23Å; C214-M217 WeakPolarHBondContact O-CB 3.45Å; C214-M217 PolarHBondContact O-N 3.13Å; C215-M217 VanDerWaalsContact C-N 3.25Å; C215-M217 PolarHBondContact O-N 3.19Å; M217-V220 PolarHBondContact O-N 3.02Å
218	F	78.9	Confident	75.7	Confident	65 Å²	65	52.3 Å²	52.3	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-75.6	-27	-178.4	-74.6	-83.3	0	0	0	112.9	R195 T196 G216 V220 L221 S222	R195-F218 HydrophobicContact CB-CB 4.07Å; R195-F218 HydrophobicContact CB-CD2 4.23Å; R195-F218 HydrophobicContact CB-CG 4.29Å; R195-F218 PolarHBondContact NH1-O 3.04Å; T196-F218 HydrophobicContact CG2-CD2 3.45Å; T196-F218 VanDerWaalsContact CG2-CD2 3.45Å; T196-F218 HydrophobicContact CG2-CE2 3.48Å; T196-F218 VanDerWaalsContact CG2-CE2 3.48Å; G216-F218 VanDerWaalsContact C-N 3.33Å; G216-F218 PolarHBondContact O-N 3.44Å; F218-V220 PolarHBondContact O-N 3.22Å; F218-L221 PolarHBondContact O-N 3.39Å; F218-S222 PolarHBondContact O-N 2.91Å
219	D	78.3	Confident	75.6	Confident	16 Å²	16	53.3 Å²	53.3	9%	0.086	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-22.6	173.2	-65.9	-52	0	0	0	112.5	A90 W94 R195 G216	A90-D219 HydrophobicContact CB-CB 4.08Å; W94-D219 WeakPolarHBondContact CZ2-OD2 3.43Å; W94-D219 PolarHBondContact NE1-OD2 3.18Å; R195-D219 IonicContact CZ-OD1 3.29Å; R195-D219 IonicContact NE-OD1 3.47Å; R195-D219 IonicContact NH1-OD1 3.46Å; R195-D219 PolarHBondContact NH1-OD1 2.82Å; R195-D219 IonicContact NH2-OD1 2.84Å; R195-D219 PolarHBondContact NH2-OD1 3.26Å; G216-D219 PolarHBondContact O-N 2.89Å
220	V	69	Low	74.7	Confident	11 Å²	11	47.8 Å²	47.8	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-79.3	-27.6	172.2	-178.3	0	0	0	0	111.7	L82 A87 V91 V130 L132 M217 F218	L82-V220 HydrophobicContact CD2-CG1 4.02Å; A87-V220 HydrophobicContact CB-CG1 4.35Å; V91-V220 HydrophobicContact CG2-CG2 4.05Å; V130-V220 HydrophobicContact CG1-CG1 4.29Å; L132-V220 HydrophobicContact CD2-CG2 4.37Å; M217-V220 PolarHBondContact O-N 3.02Å; F218-V220 PolarHBondContact O-N 3.22Å
221	L	66.2	Low	74	Confident	72 Å²	72	49.1 Å²	49.1	38%	0.377	24%	0.235	S	C	.	.	H	α-helix	trans	-101.9	-33.4	-171.5	-68.2	178.7	0	0	0	115	I77 F218	I77-L221 HydrophobicContact CD1-CD1 3.97Å; I77-L221 HydrophobicContact CD1-CD2 4.06Å; I77-L221 HydrophobicContact CD1-CG 4.07Å; I77-L221 HydrophobicContact CG2-CD2 4.24Å; F218-L221 PolarHBondContact O-N 3.39Å
222	S	59.1	Low	73.6	Confident	47 Å²	47	49.5 Å²	49.5	33%	0.329	24%	0.237	S	C	.	.			trans	-159.3	157.1	-178.4	62.8	0	0	0	0	112.1	R195 F218	R195-S222 PolarHBondContact NH1-O 3.21Å; F218-S222 PolarHBondContact O-N 2.91Å
223	Y	49.9	Very low	72.6	Confident	177 Å²	177	51 Å²	51	69%	0.694	25%	0.253	S	S	*	.			trans	-106.7	32.3	179	-88	-87.9	0	0	0	112.4
224	E	50.4	Low	71.7	Confident	142 Å²	142	56 Å²	56	66%	0.664	27%	0.271	S	S	*	.			trans	-86	131.1	-178.1	-66.2	-169.1	170.1	0	0	111.8	R195 Q226	R195-E224 PolarHBondContact NE-O 3.37Å; E224-Q226 PolarHBondContact O-N 3.44Å; E224-Q226 VanDerWaalsContact O-N 3.13Å
225	Q	48.6	Very low	71.4	Confident	165 Å²	165	56.3 Å²	56.3	77%	0.771	27%	0.273	S	S	*	.			trans	-70.5	103	173.6	-68.7	-175.1	-15.4	0	0	108.7
226	Q	58.1	Low	71	Confident	87 Å²	87	56.8 Å²	56.8	41%	0.407	28%	0.275	S	S	.	.			trans	-96.1	142.2	172.7	-98.6	178.3	-16.3	0	0	111.7	R195 E224 D228	R195-Q226 HydrophobicContact CG-CB 4.37Å; R195-Q226 PolarHBondContact O-OE1 3.21Å; E224-Q226 PolarHBondContact O-N 3.44Å; E224-Q226 VanDerWaalsContact O-N 3.13Å; Q226-D228 VanDerWaalsContact C-N 3.32Å; Q226-D228 PolarHBondContact O-N 2.99Å
227	E	69.3	Low	70.2	Confident	127 Å²	127	58.5 Å²	58.5	59%	0.593	28%	0.283	S	S	*	.			trans	-75.5	77	178.5	-60.3	-176.7	163.7	0	0	111	L229 C230 N231	E227-L229 PolarHBondContact O-N 3.3Å; E227-C230 HydrophobicContact CB-CB 3.45Å; E227-C230 VanDerWaalsContact CB-CB 3.45Å; E227-C230 HydrophobicContact CG-CB 4.41Å; E227-C230 WeakPolarHBondContact O-CA 3.37Å; E227-C230 WeakPolarHBondContact O-CB 3.35Å; E227-C230 PolarHBondContact O-N 3.17Å; E227-C230 WeakPolarHBondContact OE2-CB 3.45Å; E227-C230 PolarHBondContact OE2-SG 2.87Å; E227-C230 VanDerWaalsContact OE2-SG 3.34Å; E227-N231 PolarHBondContact O-N 2.83Å
228	D	80	Confident	69.5	Low	3 Å²	3	59.1 Å²	59.1	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-45.3	-38.6	176.6	-76.4	-22.8	0	0	0	112.6	L184 H188 Y193 A194 R195 Q226 N231 F232	L184-D228 HydrophobicContact CD2-CB 4.07Å; H188-D228 IonicContact CD2-OD2 2.67Å; H188-D228 IonicContact CE1-OD2 2.64Å; H188-D228 IonicContact NE2-OD2 3.89Å; H188-D228 PolarHBondContact NE2-OD2 3.26Å; Y193-D228 WeakPolarHBondContact CA-OD2 3.38Å; A194-D228 PolarHBondContact N-OD1 2.97Å; A194-D228 PolarHBondContact N-OD2 2.96Å; R195-D228 WeakPolarHBondContact CA-OD1 3.48Å; R195-D228 PolarHBondContact N-OD1 2.89Å; Q226-D228 VanDerWaalsContact C-N 3.32Å; Q226-D228 PolarHBondContact O-N 2.99Å; D228-N231 PolarHBondContact O-N 3.29Å; D228-F232 VanDerWaalsContact O-CB 3.31Å; D228-F232 WeakPolarHBondContact O-CB 2.83Å; D228-F232 PolarHBondContact O-N 2.96Å
229	L	74.8	Confident	69.4	Low	65 Å²	65	56.4 Å²	56.4	34%	0.34	28%	0.276	S	S	.	.	H	α-helix	trans	-75.2	-33.7	-176.3	-56.5	174.4	0	0	0	112.4	L184 E227 G233 L275	L184-L229 HydrophobicContact CD1-CD2 4.27Å; E227-L229 PolarHBondContact O-N 3.3Å; L229-G233 PolarHBondContact O-N 3.48Å; L229-L275 HydrophobicContact CB-CD1 3.81Å; L229-L275 HydrophobicContact CB-CD2 3.84Å; L229-L275 HydrophobicContact CB-CG 4.36Å; L229-L275 HydrophobicContact CD1-CD1 3.26Å; L229-L275 HydrophobicContact CD1-CD2 3.58Å; L229-L275 HydrophobicContact CD1-CG 3.94Å; L229-L275 HydrophobicContact CD2-CD2 3.52Å; L229-L275 HydrophobicContact CG-CD1 4.03Å; L229-L275 HydrophobicContact CG-CD2 3.77Å; L229-L275 HydrophobicContact CG-CG 4.5Å
230	C	70.2	Confident	68.8	Low	7 Å²	7	58.5 Å²	58.5	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-44.9	172	-175.2	0	0	0	0	110.2	E227 F232 G233 R234 R271	E227-C230 HydrophobicContact CB-CB 3.45Å; E227-C230 VanDerWaalsContact CB-CB 3.45Å; E227-C230 HydrophobicContact CG-CB 4.41Å; E227-C230 WeakPolarHBondContact O-CA 3.37Å; E227-C230 WeakPolarHBondContact O-CB 3.35Å; E227-C230 PolarHBondContact O-N 3.17Å; E227-C230 WeakPolarHBondContact OE2-CB 3.45Å; E227-C230 PolarHBondContact OE2-SG 2.87Å; E227-C230 VanDerWaalsContact OE2-SG 3.34Å; C230-F232 VanDerWaalsContact C-N 3.32Å; C230-F232 PolarHBondContact O-N 3.05Å; C230-G233 PolarHBondContact O-N 3.5Å; C230-R234 WeakPolarHBondContact O-CG 3.5Å; C230-R234 PolarHBondContact O-N 3.09Å; C230-R234 VanDerWaalsContact SG-CZ 3.58Å; C230-R271 PolarHBondContact SG-NH1 3.22Å
231	N	76.5	Confident	68.2	Low	32 Å²	32	60.4 Å²	60.4	17%	0.171	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-38.7	175.4	-70.6	-18	0	0	0	111.8	V197 E227 D228 R234 L235	V197-N231 HydrophobicContact CB-CB 4.13Å; E227-N231 PolarHBondContact O-N 2.83Å; D228-N231 PolarHBondContact O-N 3.29Å; N231-R234 PolarHBondContact O-N 3.23Å; N231-R234 PolarHBondContact OD1-NH1 2.78Å; N231-R234 VanDerWaalsContact OD1-NH1 3.13Å; N231-L235 WeakPolarHBondContact O-CB 3.34Å; N231-L235 PolarHBondContact O-N 3.44Å
232	F	84.6	Confident	67.9	Low	10 Å²	10	60.5 Å²	60.5	4%	0.044	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-47.2	172.7	-177.4	-145.1	0	0	0	112	I177 I180 S181 L184 V197 D228 C230 R234 L235 I236	I177-F232 HydrophobicContact CB-CZ 4.39Å; I177-F232 HydrophobicContact CG2-CZ 3.98Å; I180-F232 HydrophobicContact CB-CD2 4.17Å; I180-F232 HydrophobicContact CB-CE2 3.59Å; I180-F232 HydrophobicContact CB-CZ 4.06Å; I180-F232 HydrophobicContact CD1-CD2 4.41Å; I180-F232 HydrophobicContact CD1-CE2 3.98Å; I180-F232 HydrophobicContact CG1-CE2 4.41Å; I180-F232 HydrophobicContact CG2-CD2 3.45Å; I180-F232 VanDerWaalsContact CG2-CD2 3.45Å; I180-F232 HydrophobicContact CG2-CE2 3.39Å; I180-F232 HydrophobicContact CG2-CG 4.1Å; I180-F232 HydrophobicContact CG2-CZ 3.99Å; S181-F232 WeakPolarHBondContact OG-CE1 3.26Å; S181-F232 WeakPolarHBondContact OG-CZ 3.08Å; L184-F232 HydrophobicContact CD1-CB 4.06Å; L184-F232 HydrophobicContact CD1-CD1 4.02Å; L184-F232 HydrophobicContact CD1-CG 4.06Å; V197-F232 HydrophobicContact CG1-CB 4.05Å; V197-F232 HydrophobicContact CG1-CD2 4.41Å; D228-F232 VanDerWaalsContact O-CB 3.31Å; D228-F232 WeakPolarHBondContact O-CB 2.83Å; D228-F232 PolarHBondContact O-N 2.96Å; C230-F232 VanDerWaalsContact C-N 3.32Å; C230-F232 PolarHBondContact O-N 3.05Å; F232-R234 PolarHBondContact O-N 3.22Å; F232-L235 WeakPolarHBondContact O-CB 3.31Å; F232-L235 PolarHBondContact O-N 3.39Å; F232-I236 HydrophobicContact CD1-CD1 4.25Å; F232-I236 HydrophobicContact CD2-CD1 3.85Å; F232-I236 HydrophobicContact CD2-CG1 3.96Å; F232-I236 HydrophobicContact CE1-CD1 3.97Å; F232-I236 HydrophobicContact CE2-CD1 3.54Å; F232-I236 HydrophobicContact CE2-CG1 3.74Å; F232-I236 HydrophobicContact CG-CD1 4.21Å; F232-I236 HydrophobicContact CZ-CD1 3.61Å; F232-I236 HydrophobicContact CZ-CG1 4.3Å; F232-I236 VanDerWaalsContact O-CG1 3.27Å; F232-I236 WeakPolarHBondContact O-CG1 3.5Å; F232-I236 PolarHBondContact O-N 3.38Å
233	G	72.8	Confident	67.1	Low	33 Å²	33	59.9 Å²	59.9	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-44.2	175.2	0	0	0	0	0	112.8	L229 C230 L235 I236 M237	L229-G233 PolarHBondContact O-N 3.48Å; C230-G233 PolarHBondContact O-N 3.5Å; G233-L235 PolarHBondContact O-N 3.38Å; G233-I236 PolarHBondContact O-N 3.34Å; G233-M237 WeakPolarHBondContact O-CG 3.34Å; G233-M237 PolarHBondContact O-N 3.39Å
234	R	72.5	Confident	66.7	Low	106 Å²	106	53.6 Å²	53.6	40%	0.4	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-45.6	174.6	-73.4	176.2	-179.6	143.3	-2.4	111.7	C230 N231 F232 I236 M237 T238 L246	C230-R234 WeakPolarHBondContact O-CG 3.5Å; C230-R234 PolarHBondContact O-N 3.09Å; C230-R234 VanDerWaalsContact SG-CZ 3.58Å; N231-R234 PolarHBondContact O-N 3.23Å; N231-R234 PolarHBondContact OD1-NH1 2.78Å; N231-R234 VanDerWaalsContact OD1-NH1 3.13Å; F232-R234 PolarHBondContact O-N 3.22Å; R234-I236 PolarHBondContact O-N 2.86Å; R234-M237 WeakPolarHBondContact O-CB 3.49Å; R234-M237 PolarHBondContact O-N 3.35Å; R234-T238 PolarHBondContact O-N 3.05Å; R234-T238 PolarHBondContact O-OG1 2.87Å; R234-L246 HydrophobicContact CB-CD1 3.89Å; R234-L246 HydrophobicContact CG-CD1 4.11Å
235	L	81.8	Confident	65.9	Low	7 Å²	7	53.4 Å²	53.4	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-47	178.2	176.6	67	0	0	0	111.8	L143 I180 V197 A199 I202 N231 F232 G233 M237 T238 L239	L143-L235 HydrophobicContact CD2-CD1 3.99Å; I180-L235 HydrophobicContact CD1-CD2 3.75Å; V197-L235 HydrophobicContact CG1-CD2 3.98Å; A199-L235 HydrophobicContact CB-CD1 3.75Å; I202-L235 HydrophobicContact CD1-CD2 3.17Å; I202-L235 HydrophobicContact CD1-CG 4.48Å; N231-L235 WeakPolarHBondContact O-CB 3.34Å; N231-L235 PolarHBondContact O-N 3.44Å; F232-L235 WeakPolarHBondContact O-CB 3.31Å; F232-L235 PolarHBondContact O-N 3.39Å; G233-L235 PolarHBondContact O-N 3.38Å; L235-M237 VanDerWaalsContact C-N 3.27Å; L235-M237 PolarHBondContact O-N 2.92Å; L235-T238 PolarHBondContact O-N 2.89Å; L235-L239 HydrophobicContact CD1-CD1 4.05Å; L235-L239 HydrophobicContact CD1-CG 4.22Å; L235-L239 HydrophobicContact CG-CD1 3.92Å; L235-L239 HydrophobicContact CG-CG 4.48Å; L235-L239 VanDerWaalsContact O-CG 3.25Å; L235-L239 WeakPolarHBondContact O-CG 3.33Å; L235-L239 PolarHBondContact O-N 2.86Å
236	I	81.3	Confident	65.1	Low	11 Å²	11	49.3 Å²	49.3	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-44.3	177.3	-65	168.8	0	0	0	110.1	I177 F232 G233 R234 L239 A240 F295	I177-I236 HydrophobicContact CD1-CD1 4.38Å; I177-I236 HydrophobicContact CD1-CG1 4.45Å; I177-I236 HydrophobicContact CD1-CG2 4.09Å; I177-I236 HydrophobicContact CG1-CD1 3.99Å; I177-I236 HydrophobicContact CG1-CG1 3.99Å; F232-I236 HydrophobicContact CD1-CD1 4.25Å; F232-I236 HydrophobicContact CD2-CD1 3.85Å; F232-I236 HydrophobicContact CD2-CG1 3.96Å; F232-I236 HydrophobicContact CE1-CD1 3.97Å; F232-I236 HydrophobicContact CE2-CD1 3.54Å; F232-I236 HydrophobicContact CE2-CG1 3.74Å; F232-I236 HydrophobicContact CG-CD1 4.21Å; F232-I236 HydrophobicContact CZ-CD1 3.61Å; F232-I236 HydrophobicContact CZ-CG1 4.3Å; F232-I236 VanDerWaalsContact O-CG1 3.27Å; F232-I236 WeakPolarHBondContact O-CG1 3.5Å; F232-I236 PolarHBondContact O-N 3.38Å; G233-I236 PolarHBondContact O-N 3.34Å; R234-I236 PolarHBondContact O-N 2.86Å; I236-L239 PolarHBondContact O-N 2.84Å; I236-A240 VanDerWaalsContact O-CB 3.24Å; I236-A240 WeakPolarHBondContact O-CB 3.44Å; I236-A240 PolarHBondContact O-N 2.99Å; I236-F295 HydrophobicContact CD1-CE1 4.49Å; I236-F295 HydrophobicContact CD1-CZ 3.67Å; I236-F295 HydrophobicContact CG2-CE1 4.34Å; I236-F295 HydrophobicContact CG2-CZ 4.37Å
237	M	67.8	Low	63.6	Low	39 Å²	39	51 Å²	51	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-45.9	177	-73.3	-53.2	-52.6	0	0	112.5	G233 R234 L235 L239 A240 C241 L246 T303	G233-M237 WeakPolarHBondContact O-CG 3.34Å; G233-M237 PolarHBondContact O-N 3.39Å; R234-M237 WeakPolarHBondContact O-CB 3.49Å; R234-M237 PolarHBondContact O-N 3.35Å; L235-M237 VanDerWaalsContact C-N 3.27Å; L235-M237 PolarHBondContact O-N 2.92Å; M237-L239 VanDerWaalsContact C-N 3.3Å; M237-L239 PolarHBondContact O-N 3.49Å; M237-A240 PolarHBondContact O-N 2.92Å; M237-C241 VanDerWaalsContact O-CB 3.3Å; M237-C241 WeakPolarHBondContact O-CB 3.36Å; M237-C241 PolarHBondContact O-N 3.26Å; M237-L246 HydrophobicContact CB-CD1 4.41Å; M237-T303 HydrophobicContact CE-CG2 3.8Å; M237-T303 WeakPolarHBondContact CE-OG1 3.49Å; M237-T303 PolarHBondContact SD-OG1 3.36Å; M237-T303 VanDerWaalsContact SD-OG1 3.38Å
238	T	70.5	Confident	61.8	Low	20 Å²	20	52.2 Å²	52.2	12%	0.123	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-39.7	175.9	-71.4	0	0	0	0	111.8	L148 R234 L235 R242 S243 L246	L148-T238 HydrophobicContact CD1-CG2 3.63Å; L148-T238 HydrophobicContact CD2-CG2 3.93Å; L148-T238 HydrophobicContact CG-CG2 4.46Å; R234-T238 PolarHBondContact O-N 3.05Å; R234-T238 PolarHBondContact O-OG1 2.87Å; L235-T238 PolarHBondContact O-N 2.89Å; T238-R242 WeakPolarHBondContact O-CA 3.41Å; T238-R242 PolarHBondContact O-N 3.02Å; T238-S243 WeakPolarHBondContact CG2-O 3.5Å; T238-S243 PolarHBondContact OG1-O 3.09Å; T238-L246 WeakPolarHBondContact OG1-CD1 3.29Å
239	L	75.4	Confident	59.3	Low	8 Å²	8	57.3 Å²	57.3	4%	0.042	32%	0.322	C	S	.	.	H	α-helix	trans	-73.5	-39.6	177.8	-66.7	168.1	0	0	0	112.9	L143 H147 I168 L173 L235 I236 M237	L143-L239 HydrophobicContact CD2-CD1 3.49Å; L143-L239 VanDerWaalsContact CD2-CD1 3.49Å; L143-L239 HydrophobicContact CD2-CD2 3.59Å; L143-L239 HydrophobicContact CD2-CG 4.05Å; L143-L239 HydrophobicContact CG-CD1 4.46Å; L143-L239 HydrophobicContact CG-CD2 3.83Å; H147-L239 HydrophobicContact CB-CD2 4.36Å; I168-L239 HydrophobicContact CD1-CB 3.96Å; I168-L239 HydrophobicContact CD1-CD2 3.87Å; I168-L239 HydrophobicContact CD1-CG 4.49Å; L173-L239 HydrophobicContact CD1-CB 3.87Å; L173-L239 HydrophobicContact CD1-CD1 4.3Å; L235-L239 HydrophobicContact CD1-CD1 4.05Å; L235-L239 HydrophobicContact CD1-CG 4.22Å; L235-L239 HydrophobicContact CG-CD1 3.92Å; L235-L239 HydrophobicContact CG-CG 4.48Å; L235-L239 VanDerWaalsContact O-CG 3.25Å; L235-L239 WeakPolarHBondContact O-CG 3.33Å; L235-L239 PolarHBondContact O-N 2.86Å; I236-L239 PolarHBondContact O-N 2.84Å; M237-L239 VanDerWaalsContact C-N 3.3Å; M237-L239 PolarHBondContact O-N 3.49Å
240	A	65.5	Low	57	Low	59 Å²	59	59.4 Å²	59.4	49%	0.488	33%	0.333	S	S	.	.	H	α-helix	trans	-70	-37.2	179.8	0	0	0	0	0	112.1	L173 I236 M237	L173-A240 HydrophobicContact CD2-CB 4.12Å; I236-A240 VanDerWaalsContact O-CB 3.24Å; I236-A240 WeakPolarHBondContact O-CB 3.44Å; I236-A240 PolarHBondContact O-N 2.99Å; M237-A240 PolarHBondContact O-N 2.92Å
241	C	56.3	Low	55	Low	52 Å²	52	66.3 Å²	66.3	35%	0.351	37%	0.37	S	S	.	.	H	α-helix	trans	-97.7	-6.1	-177.9	-62.2	0	0	0	0	114.1	M237 S243	M237-C241 VanDerWaalsContact O-CB 3.3Å; M237-C241 WeakPolarHBondContact O-CB 3.36Å; M237-C241 PolarHBondContact O-N 3.26Å; C241-S243 PolarHBondContact O-N 3Å
242	R	59.8	Low	52.7	Low	73 Å²	73	73.2 Å²	73.2	28%	0.275	41%	0.406	S	S	.	.			trans	52.9	14	-172.7	-153.1	-177.1	163.8	108.5	3.7	115.2	H147 L148 T238 A244	H147-R242 VanDerWaalsContact O-CZ 3.26Å; H147-R242 PolarHBondContact O-NH1 3.42Å; L148-R242 HydrophobicContact CD2-CG 4.49Å; T238-R242 WeakPolarHBondContact O-CA 3.41Å; T238-R242 PolarHBondContact O-N 3.02Å; R242-A244 PolarHBondContact O-N 3.24Å
243	S	43.8	Very low	50	Low	35 Å²	35	80 Å²	80	25%	0.245	44%	0.442	C	S	.	.			trans	-90.2	107.6	176.7	-171.6	0	0	0	0	110.6	T238 C241 K245	T238-S243 WeakPolarHBondContact CG2-O 3.5Å; T238-S243 PolarHBondContact OG1-O 3.09Å; C241-S243 PolarHBondContact O-N 3Å; S243-K245 PolarHBondContact O-N 3.33Å; S243-K245 VanDerWaalsContact O-N 3.16Å
244	A	40.2	Very low	47.9	Very low	44 Å²	44	84.3 Å²	84.3	36%	0.364	46%	0.463	S	S	.	.	S	Bend	trans	-70.7	3	173.8	0	0	0	0	0	113.4	R242	R242-A244 PolarHBondContact O-N 3.24Å
245	K	34.4	Very low	45.8	Very low	139 Å²	139	86.7 Å²	86.7	60%	0.604	48%	0.484	S	S	*	.			trans	-123.2	82.3	178.9	-67.6	177	-176.2	166.4	0	110.2	S243	S243-K245 PolarHBondContact O-N 3.33Å; S243-K245 VanDerWaalsContact O-N 3.16Å
246	L	30.6	Very low	43.3	Very low	79 Å²	79	90.4 Å²	90.4	41%	0.414	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-78.2	133.3	154	-75.8	168.5	0	0	0	107.5	R234 M237 T238 Q248	R234-L246 HydrophobicContact CB-CD1 3.89Å; R234-L246 HydrophobicContact CG-CD1 4.11Å; M237-L246 HydrophobicContact CB-CD1 4.41Å; T238-L246 WeakPolarHBondContact OG1-CD1 3.29Å; L246-Q248 PolarHBondContact O-N 3.46Å
247	P	27.3	Very low	40.7	Very low	123 Å²	123	97.2 Å²	97.2	80%	0.799	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-55	116.7	178	-21.2	30.1	0	0	0	109.7
248	Q	31	Very low	39.1	Very low	151 Å²	151	101.2 Å²	101.2	71%	0.706	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-64.5	136.9	163.8	-69.9	-170.4	6.8	0	0	107.5	L246 N250	L246-Q248 PolarHBondContact O-N 3.46Å; Q248-N250 PolarHBondContact O-N 2.98Å; Q248-N250 PolarHBondContact OE1-ND2 2.9Å
249	P	28.7	Very low	37.2	Very low	110 Å²	110	109.4 Å²	109.4	71%	0.714	62%	0.615	S	S	*	*			trans	-75.6	79.7	170.6	31.8	-30.4	0	0	0	107.6
250	N	26.2	Very low	35.2	Very low	110 Å²	110	112 Å²	112	59%	0.588	63%	0.63	S	S	*	*			trans	-132.6	127.4	174.9	-83.9	-22.2	0	0	0	110.3	Q248	Q248-N250 PolarHBondContact O-N 2.98Å; Q248-N250 PolarHBondContact OE1-ND2 2.9Å
251	N	27.6	Very low	33.6	Very low	151 Å²	151	118.9 Å²	118.9	81%	0.807	65%	0.652	S	S	*	*			trans	80.2	43.1	153	-53.8	-10	0	0	0	119.1
252	L	27.8	Very low	32.6	Very low	178 Å²	178	124.2 Å²	124.2	93%	0.932	67%	0.669	S	S	*	*			trans	-95.7	119	151.4	-74.8	161.6	0	0	0	108.2
253	L	28.6	Very low	31.4	Very low	152 Å²	152	128.1 Å²	128.1	80%	0.796	68%	0.684	S	S	*	*			trans	-42.9	149	176.8	-67.4	156.3	0	0	0	111.6	D255	L253-D255 VanDerWaalsContact C-N 3.28Å; L253-D255 PolarHBondContact O-N 2.85Å
254	P	28	Very low	30.9	Very low	123 Å²	123	133.1 Å²	133.1	80%	0.799	71%	0.708	S	S	*	*			trans	-71.2	90.3	177.1	30.8	-31.3	0	0	0	108.2	A256	P254-A256 PolarHBondContact O-N 2.61Å
255	D	30.1	Very low	30.5	Very low	156 Å²	156	132.9 Å²	132.9	83%	0.834	71%	0.709	S	S	*	*			trans	-68.1	94	159.8	-93.2	-22.1	0	0	0	106.9	L253 N257	L253-D255 VanDerWaalsContact C-N 3.28Å; L253-D255 PolarHBondContact O-N 2.85Å; D255-N257 VanDerWaalsContact C-N 3.28Å; D255-N257 PolarHBondContact O-N 2.75Å
256	A	28.7	Very low	30.7	Very low	86 Å²	86	128.9 Å²	128.9	71%	0.711	69%	0.693	S	S	*	*			trans	-60.7	90	169.5	0	0	0	0	0	108.5	P254	P254-A256 PolarHBondContact O-N 2.61Å
257	N	27.2	Very low	31.1	Very low	153 Å²	153	127.4 Å²	127.4	82%	0.818	69%	0.685	S	S	*	*			trans	168.9	142.2	144.9	-87.4	-39.2	0	0	0	108.7	D255	D255-N257 VanDerWaalsContact C-N 3.28Å; D255-N257 PolarHBondContact O-N 2.75Å
258	V	34.4	Very low	31.8	Very low	124 Å²	124	123.1 Å²	123.1	75%	0.752	66%	0.66	S	S	*	*			trans	106.9	102.8	171.5	-166.9	0	0	0	0	114.8	D260	V258-D260 PolarHBondContact O-N 3.07Å; V258-D260 VanDerWaalsContact O-N 3.15Å
259	H	29.9	Very low	32.5	Very low	191 Å²	191	117.4 Å²	117.4	88%	0.884	63%	0.633	S	S	*	*			trans	-25.6	100.4	163.1	-78.8	-77.1	0	0	0	116.5
260	D	33.7	Very low	33.1	Very low	64 Å²	64	112.4 Å²	112.4	34%	0.342	60%	0.601	S	S	.	*			trans	-146.2	13.1	-178.3	-142.1	38.5	0	0	0	119.2	V258 K262 R263	V258-D260 PolarHBondContact O-N 3.07Å; V258-D260 VanDerWaalsContact O-N 3.15Å; D260-K262 PolarHBondContact O-N 2.98Å; D260-R263 VanDerWaalsContact CG-CD 3.41Å; D260-R263 PolarHBondContact O-N 3.27Å; D260-R263 VanDerWaalsContact O-N 3.16Å; D260-R263 VanDerWaalsContact OD1-CD 3.29Å; D260-R263 WeakPolarHBondContact OD1-CD 3.11Å; D260-R263 VanDerWaalsContact OD1-CG 3.25Å; D260-R263 WeakPolarHBondContact OD1-CG 3.01Å; D260-R263 IonicContact OD1-CZ 2.96Å; D260-R263 IonicContact OD1-NE 3.79Å; D260-R263 PolarHBondContact OD1-NE 3.36Å; D260-R263 IonicContact OD1-NH1 3.07Å; D260-R263 IonicContact OD1-NH2 2.7Å; D260-R263 PolarHBondContact OD1-NH2 3.29Å; D260-R263 WeakPolarHBondContact OD2-CD 3.49Å; D260-R263 WeakPolarHBondContact OD2-CG 3.45Å; D260-R263 IonicContact OD2-CZ 3.68Å; D260-R263 IonicContact OD2-NE 3.02Å; D260-R263 PolarHBondContact OD2-NE 3.48Å; D260-R263 IonicContact OD2-NH1 2.9Å; D260-R263 PolarHBondContact OD2-NH1 2.93Å; D260-R263 IonicContact OD2-NH2 3.95Å; D260-R263 PolarHBondContact OD2-NH2 3.45Å; D260-R263 VanDerWaalsContact OD2-NH2 3.16Å
261	Q	31.3	Very low	34.2	Very low	203 Å²	203	111.4 Å²	111.4	95%	0.949	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	8.3	173.1	-83.8	175.9	-26.8	0	0	115.5
262	K	35.1	Very low	35.2	Very low	164 Å²	164	110.8 Å²	110.8	71%	0.713	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-5.7	174.2	-89.6	179.7	178.3	170.9	0	114.1	D260	D260-K262 PolarHBondContact O-N 2.98Å
263	R	34	Very low	36.2	Very low	155 Å²	155	102.7 Å²	102.7	59%	0.585	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.2	-176.7	-74.2	-165	-161.3	144.5	19.3	114	D260 G265	D260-R263 VanDerWaalsContact CG-CD 3.41Å; D260-R263 PolarHBondContact O-N 3.27Å; D260-R263 VanDerWaalsContact O-N 3.16Å; D260-R263 VanDerWaalsContact OD1-CD 3.29Å; D260-R263 WeakPolarHBondContact OD1-CD 3.11Å; D260-R263 VanDerWaalsContact OD1-CG 3.25Å; D260-R263 WeakPolarHBondContact OD1-CG 3.01Å; D260-R263 IonicContact OD1-CZ 2.96Å; D260-R263 IonicContact OD1-NE 3.79Å; D260-R263 PolarHBondContact OD1-NE 3.36Å; D260-R263 IonicContact OD1-NH1 3.07Å; D260-R263 IonicContact OD1-NH2 2.7Å; D260-R263 PolarHBondContact OD1-NH2 3.29Å; D260-R263 WeakPolarHBondContact OD2-CD 3.49Å; D260-R263 WeakPolarHBondContact OD2-CG 3.45Å; D260-R263 IonicContact OD2-CZ 3.68Å; D260-R263 IonicContact OD2-NE 3.02Å; D260-R263 PolarHBondContact OD2-NE 3.48Å; D260-R263 IonicContact OD2-NH1 2.9Å; D260-R263 PolarHBondContact OD2-NH1 2.93Å; D260-R263 IonicContact OD2-NH2 3.95Å; D260-R263 PolarHBondContact OD2-NH2 3.45Å; D260-R263 VanDerWaalsContact OD2-NH2 3.16Å; R263-G265 VanDerWaalsContact C-N 3.29Å; R263-G265 PolarHBondContact O-N 3.18Å
264	D	33.4	Very low	37.3	Very low	140 Å²	140	96.7 Å²	96.7	75%	0.749	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.7	-179.8	-66	-33.2	0	0	0	115.1	H266	D264-H266 PolarHBondContact O-N 3.26Å
265	G	32.3	Very low	38.2	Very low	39 Å²	39	93.3 Å²	93.3	40%	0.402	48%	0.476	S	S	.	.	H	α-helix	trans	-72.3	-27.4	-170.6	0	0	0	0	0	115.7	R263 H269	R263-G265 VanDerWaalsContact C-N 3.29Å; R263-G265 PolarHBondContact O-N 3.18Å; G265-H269 PolarHBondContact O-N 3.16Å
266	H	38.4	Very low	39.2	Very low	55 Å²	55	91.3 Å²	91.3	26%	0.255	46%	0.457	S	S	.	.	H	α-helix	trans	-88.1	-41.8	-167.4	-66.6	97.6	0	0	0	112.6	D264 A268 H269 C270 E306	D264-H266 PolarHBondContact O-N 3.26Å; H266-A268 VanDerWaalsContact C-N 3.26Å; H266-A268 PolarHBondContact O-N 3.45Å; H266-H269 PolarHBondContact O-N 2.85Å; H266-C270 PolarHBondContact O-N 3.4Å; H266-E306 WeakPolarHBondContact CB-OE1 3.33Å; H266-E306 IonicContact CG-OE1 2.7Å
267	N	40.3	Very low	40.1	Very low	48 Å²	48	89.3 Å²	89.3	26%	0.257	43%	0.433	S	S	.	.	H	α-helix	trans	-60.8	-37.6	169.7	-140.2	-40.1	0	0	0	111.3	H269 R271 E306	N267-H269 PolarHBondContact O-N 2.96Å; N267-R271 PolarHBondContact ND2-NH2 2.82Å; N267-R271 VanDerWaalsContact O-CB 3.26Å; N267-R271 WeakPolarHBondContact O-CB 3.48Å; N267-R271 WeakPolarHBondContact O-CD 3.48Å; N267-R271 WeakPolarHBondContact O-CG 3.23Å; N267-R271 PolarHBondContact O-N 3Å; N267-R271 PolarHBondContact OD1-NE 3.21Å; N267-R271 PolarHBondContact OD1-NH2 3.47Å; N267-E306 WeakPolarHBondContact CB-OE2 3.44Å; N267-E306 PolarHBondContact N-OE2 2.89Å
268	A	42	Very low	41.3	Very low	32 Å²	32	85.7 Å²	85.7	26%	0.264	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-27.4	174.1	0	0	0	0	0	113.3	H266 R272	H266-A268 VanDerWaalsContact C-N 3.26Å; H266-A268 PolarHBondContact O-N 3.45Å; A268-R272 VanDerWaalsContact O-CB 3.28Å; A268-R272 WeakPolarHBondContact O-CB 3.36Å; A268-R272 WeakPolarHBondContact O-CG 3.26Å; A268-R272 PolarHBondContact O-N 3.29Å; A268-R272 PolarHBondContact O-NE 3.01Å; A268-R272 VanDerWaalsContact O-NE 3.08Å
269	H	45.2	Very low	41.7	Very low	32 Å²	32	83 Å²	83	15%	0.148	41%	0.411	C	S	.	.	H	α-helix	trans	-78.8	-48.5	179	-172	-78.8	0	0	0	111.9	G265 H266 N267 R271 R272 Q273 S333	G265-H269 PolarHBondContact O-N 3.16Å; H266-H269 PolarHBondContact O-N 2.85Å; N267-H269 PolarHBondContact O-N 2.96Å; H269-R271 VanDerWaalsContact C-N 3.29Å; H269-R271 PolarHBondContact O-N 2.79Å; H269-R272 PolarHBondContact O-N 2.8Å; H269-Q273 PolarHBondContact O-N 2.9Å; H269-S333 WeakPolarHBondContact CE1-CB 3.2Å; H269-S333 PolarHBondContact CE1-OG 3.45Å; H269-S333 VanDerWaalsContact CE1-OG 3.22Å; H269-S333 WeakPolarHBondContact NE2-CB 3.42Å; H269-S333 PolarHBondContact NE2-OG 2.84Å
270	C	41.5	Very low	42.3	Very low	5 Å²	5	76.8 Å²	76.8	3%	0.034	39%	0.389	C	S	.	.	H	α-helix	trans	-59.6	-41.6	173.9	-68.6	0	0	0	0	111.6	H266 Q273 I274 C302 V329	H266-C270 PolarHBondContact O-N 3.4Å; C270-Q273 PolarHBondContact O-N 2.92Å; C270-I274 WeakPolarHBondContact O-CG1 3.35Å; C270-I274 PolarHBondContact O-N 3.42Å; C270-C302 VanDerWaalsContact CB-SG 3.56Å; C270-V329 WeakPolarHBondContact SG-CG1 3.43Å
271	R	48	Very low	42.5	Very low	89 Å²	89	76.6 Å²	76.6	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-48.5	173.7	-71.4	170.5	-168.3	-178	2.2	111.5	C230 N267 H269 Q273 I274 L275	C230-R271 PolarHBondContact SG-NH1 3.22Å; N267-R271 PolarHBondContact ND2-NH2 2.82Å; N267-R271 VanDerWaalsContact O-CB 3.26Å; N267-R271 WeakPolarHBondContact O-CB 3.48Å; N267-R271 WeakPolarHBondContact O-CD 3.48Å; N267-R271 WeakPolarHBondContact O-CG 3.23Å; N267-R271 PolarHBondContact O-N 3Å; N267-R271 PolarHBondContact OD1-NE 3.21Å; N267-R271 PolarHBondContact OD1-NH2 3.47Å; H269-R271 VanDerWaalsContact C-N 3.29Å; H269-R271 PolarHBondContact O-N 2.79Å; R271-Q273 PolarHBondContact O-N 3.29Å; R271-I274 PolarHBondContact O-N 2.93Å; R271-L275 WeakPolarHBondContact O-CD1 3.47Å; R271-L275 WeakPolarHBondContact O-CG 3.35Å; R271-L275 PolarHBondContact O-N 3.49Å
272	R	49.1	Very low	42.6	Very low	137 Å²	137	71.8 Å²	71.8	52%	0.517	40%	0.397	S	S	.	.	H	α-helix	trans	-58.2	-34.4	175	-84.4	-178	-89.6	-155.3	-2.9	113	A268 H269 L275 R276	A268-R272 VanDerWaalsContact O-CB 3.28Å; A268-R272 WeakPolarHBondContact O-CB 3.36Å; A268-R272 WeakPolarHBondContact O-CG 3.26Å; A268-R272 PolarHBondContact O-N 3.29Å; A268-R272 PolarHBondContact O-NE 3.01Å; A268-R272 VanDerWaalsContact O-NE 3.08Å; H269-R272 PolarHBondContact O-N 2.8Å; R272-L275 WeakPolarHBondContact O-CB 3.47Å; R272-L275 PolarHBondContact O-N 3.47Å; R272-R276 WeakPolarHBondContact O-CG 3.29Å; R272-R276 PolarHBondContact O-N 2.64Å
273	Q	49.9	Very low	42.6	Very low	8 Å²	8	70.7 Å²	70.7	4%	0.037	40%	0.399	C	S	.	.	H	α-helix	trans	-78.1	-36.6	-177.3	-148.8	66.9	4.2	0	0	113.2	H269 C270 R271 L275 R276 M277 L354	H269-Q273 PolarHBondContact O-N 2.9Å; C270-Q273 PolarHBondContact O-N 2.92Å; R271-Q273 PolarHBondContact O-N 3.29Å; Q273-L275 PolarHBondContact O-N 2.86Å; Q273-R276 PolarHBondContact O-N 2.63Å; Q273-R276 VanDerWaalsContact OE1-NH1 3.1Å; Q273-M277 PolarHBondContact O-N 2.76Å; Q273-M277 VanDerWaalsContact O-N 3.16Å; Q273-L354 HydrophobicContact CG-CD2 3.12Å
274	I	50.1	Low	42.9	Very low	26 Å²	26	66.1 Å²	66.1	13%	0.133	40%	0.395	C	S	.	.	H	α-helix	trans	-56.1	-42.3	168.3	-70.1	167.8	0	0	0	109.9	C270 R271 M277 L278 F295 L298	C270-I274 WeakPolarHBondContact O-CG1 3.35Å; C270-I274 PolarHBondContact O-N 3.42Å; R271-I274 PolarHBondContact O-N 2.93Å; I274-M277 PolarHBondContact O-N 3.43Å; I274-L278 HydrophobicContact CG2-CD1 4.01Å; I274-L278 WeakPolarHBondContact O-CG 3.25Å; I274-L278 PolarHBondContact O-N 2.93Å; I274-F295 HydrophobicContact CG2-CD2 3.93Å; I274-F295 HydrophobicContact CG2-CE2 3.6Å; I274-L298 HydrophobicContact CD1-CB 4.17Å; I274-L298 HydrophobicContact CG1-CB 3.86Å; I274-L298 HydrophobicContact CG1-CD1 3.71Å; I274-L298 HydrophobicContact CG1-CG 4.36Å
275	L	48.5	Very low	43	Very low	53 Å²	53	69.2 Å²	69.2	28%	0.277	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-39.1	179.6	-64	166.1	0	0	0	113.5	L229 R271 R272 Q273 M277 L278 G279	L229-L275 HydrophobicContact CB-CD1 3.81Å; L229-L275 HydrophobicContact CB-CD2 3.84Å; L229-L275 HydrophobicContact CB-CG 4.36Å; L229-L275 HydrophobicContact CD1-CD1 3.26Å; L229-L275 HydrophobicContact CD1-CD2 3.58Å; L229-L275 HydrophobicContact CD1-CG 3.94Å; L229-L275 HydrophobicContact CD2-CD2 3.52Å; L229-L275 HydrophobicContact CG-CD1 4.03Å; L229-L275 HydrophobicContact CG-CD2 3.77Å; L229-L275 HydrophobicContact CG-CG 4.5Å; R271-L275 WeakPolarHBondContact O-CD1 3.47Å; R271-L275 WeakPolarHBondContact O-CG 3.35Å; R271-L275 PolarHBondContact O-N 3.49Å; R272-L275 WeakPolarHBondContact O-CB 3.47Å; R272-L275 PolarHBondContact O-N 3.47Å; Q273-L275 PolarHBondContact O-N 2.86Å; L275-M277 VanDerWaalsContact C-N 3.29Å; L275-M277 PolarHBondContact O-N 3.26Å; L275-L278 PolarHBondContact O-N 2.85Å; L275-G279 PolarHBondContact O-N 3.37Å
276	R	50.4	Low	43.8	Very low	113 Å²	113	68 Å²	68	43%	0.426	39%	0.392	S	S	.	.	H	α-helix	trans	-65.6	-30.4	176.1	-77.3	170.3	171.9	175.2	-8.4	113	R272 Q273	R272-R276 WeakPolarHBondContact O-CG 3.29Å; R272-R276 PolarHBondContact O-N 2.64Å; Q273-R276 PolarHBondContact O-N 2.63Å; Q273-R276 VanDerWaalsContact OE1-NH1 3.1Å
277	M	48.3	Very low	44.4	Very low	45 Å²	45	68.3 Å²	68.3	22%	0.222	40%	0.4	C	S	.	.	H	α-helix	trans	-80.5	-27.9	175.7	-65.1	-162	-34.4	0	0	113	Q273 I274 L275 L294 L298 L358	Q273-M277 PolarHBondContact O-N 2.76Å; Q273-M277 VanDerWaalsContact O-N 3.16Å; I274-M277 PolarHBondContact O-N 3.43Å; L275-M277 VanDerWaalsContact C-N 3.29Å; L275-M277 PolarHBondContact O-N 3.26Å; M277-L294 HydrophobicContact CE-CB 4.1Å; M277-L298 HydrophobicContact CE-CD1 3.16Å; M277-L298 HydrophobicContact CE-CG 4.3Å; M277-L298 HydrophobicContact SD-CD1 4.27Å; M277-L358 HydrophobicContact CE-CD1 4.23Å; M277-L358 HydrophobicContact SD-CD1 3.91Å
278	L	50.7	Low	45	Very low	77 Å²	77	74.3 Å²	74.3	40%	0.403	43%	0.426	S	S	.	.	H	α-helix	trans	-84	-17.5	175.5	-66.3	173.2	0	0	0	113.4	I274 L275 F295	I274-L278 HydrophobicContact CG2-CD1 4.01Å; I274-L278 WeakPolarHBondContact O-CG 3.25Å; I274-L278 PolarHBondContact O-N 2.93Å; L275-L278 PolarHBondContact O-N 2.85Å; L278-F295 HydrophobicContact CD1-CD2 4.16Å; L278-F295 HydrophobicContact CD1-CE2 3.97Å; L278-F295 HydrophobicContact CD2-CD2 4.43Å
279	G	43.2	Very low	45.4	Very low	67 Å²	67	79.1 Å²	79.1	69%	0.691	45%	0.445	S	S	*	.	S	Bend	trans	-101.4	6.8	-166.4	0	0	0	0	0	118.5	L275	L275-G279 PolarHBondContact O-N 3.37Å
280	S	43.1	Very low	46.2	Very low	60 Å²	60	80.7 Å²	80.7	42%	0.42	45%	0.452	S	S	.	.			trans	-143.4	117.7	176.7	171.4	0	0	0	0	107.3	R351	S280-R351 PolarHBondContact OG-NH1 2.88Å
281	G	36.9	Very low	47.2	Very low	60 Å²	60	83.9 Å²	83.9	62%	0.619	47%	0.469	S	S	*	.			cis	121.7	92.4	46.6	0	0	0	0	0	105.3	D283	G281-D283 VanDerWaalsContact C-N 3.29Å; G281-D283 PolarHBondContact O-N 3.38Å
282	A	34.9	Very low	47.8	Very low	103 Å²	103	80 Å²	80	85%	0.851	46%	0.457	S	S	*	.	S	Bend	trans	44.1	-25.8	159.9	0	0	0	0	0	123.2
283	D	35	Very low	48.9	Very low	140 Å²	140	78.2 Å²	78.2	75%	0.749	45%	0.45	S	S	*	.			trans	-130.9	8.6	-157.5	-58.9	-36	0	0	0	117.3	G281	G281-D283 VanDerWaalsContact C-N 3.29Å; G281-D283 PolarHBondContact O-N 3.38Å
284	A	39.5	Very low	50	Low	60 Å²	60	77.9 Å²	77.9	50%	0.496	45%	0.449	S	S	.	.			trans	-100.5	102.9	-178.3	0	0	0	0	0	112.8	G286	A284-G286 PolarHBondContact O-N 3.27Å
285	H	35.4	Very low	50.8	Low	204 Å²	204	77.1 Å²	77.1	94%	0.944	44%	0.444	S	S	*	.			trans	-62.6	64.4	176	-73.8	68.9	0	0	0	114.2
286	G	49	Very low	51.8	Low	14 Å²	14	78.6 Å²	78.6	14%	0.144	45%	0.446	C	S	.	.	S	Bend	trans	-127.3	135.5	156.9	0	0	0	0	0	109.2	A284 E288	A284-G286 PolarHBondContact O-N 3.27Å; G286-E288 PolarHBondContact O-N 2.84Å
287	S	52.5	Low	53	Low	61 Å²	61	73.4 Å²	73.4	43%	0.427	43%	0.427	S	S	.	.			trans	-53.4	141.1	-172.1	68.8	0	0	0	0	110.8	M289 E290	S287-M289 PolarHBondContact O-N 3.13Å; S287-E290 WeakPolarHBondContact O-CB 3.27Å; S287-E290 PolarHBondContact O-N 2.81Å
288	E	51.6	Low	54.2	Low	175 Å²	175	71.4 Å²	71.4	82%	0.818	42%	0.417	S	S	*	.	H	α-helix	trans	-49.3	-26.5	174.6	-63.3	-179.8	152.7	0	0	112.3	G286 N291 G292	G286-E288 PolarHBondContact O-N 2.84Å; E288-N291 PolarHBondContact O-N 3.49Å; E288-G292 PolarHBondContact O-N 2.91Å
289	M	51.2	Low	55	Low	132 Å²	132	68.9 Å²	68.9	65%	0.65	41%	0.406	S	S	*	.	H	α-helix	trans	-60.2	-41.1	172.8	-167.7	-179.8	74.7	0	0	113.6	S287 G292 R293	S287-M289 PolarHBondContact O-N 3.13Å; M289-G292 PolarHBondContact O-N 3.26Å; M289-R293 WeakPolarHBondContact O-CG 3.38Å; M289-R293 PolarHBondContact O-N 2.81Å
290	E	62.4	Low	56.4	Low	65 Å²	65	68.3 Å²	68.3	30%	0.304	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-45.6	175.6	-71.4	174.7	-168.4	0	0	111.3	S287 G292 R293 L294 R355	S287-E290 WeakPolarHBondContact O-CB 3.27Å; S287-E290 PolarHBondContact O-N 2.81Å; E290-G292 PolarHBondContact O-N 3.46Å; E290-R293 WeakPolarHBondContact O-CB 3.33Å; E290-R293 PolarHBondContact O-N 3.16Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 3.45Å; E290-R355 IonicContact OE2-NH2 3.08Å; E290-R355 PolarHBondContact OE2-NH2 2.73Å; E290-R355 VanDerWaalsContact OE2-NH2 3.08Å
291	N	61.5	Low	57.8	Low	73 Å²	73	66 Å²	66	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-37.6	177.6	-69.2	-24.2	0	0	0	110.9	E288 L294 F295	E288-N291 PolarHBondContact O-N 3.49Å; N291-L294 PolarHBondContact O-N 2.73Å; N291-F295 WeakPolarHBondContact O-CB 3.45Å; N291-F295 PolarHBondContact O-N 2.96Å
292	G	60.9	Low	59.2	Low	8 Å²	8	64.5 Å²	64.5	8%	0.082	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-48.9	171.1	0	0	0	0	0	112.8	W174 E288 M289 E290 L294 F295 R296	W174-G292 VanDerWaalsContact CH2-CA 3.4Å; W174-G292 VanDerWaalsContact CH2-O 3.24Å; W174-G292 WeakPolarHBondContact CH2-O 3.37Å; W174-G292 VanDerWaalsContact CZ2-CA 3.49Å; W174-G292 WeakPolarHBondContact CZ2-O 3.43Å; E288-G292 PolarHBondContact O-N 2.91Å; M289-G292 PolarHBondContact O-N 3.26Å; E290-G292 PolarHBondContact O-N 3.46Å; G292-L294 PolarHBondContact O-N 3.22Å; G292-F295 PolarHBondContact O-N 3.04Å; G292-R296 PolarHBondContact O-N 3.38Å
293	R	72.8	Confident	60.6	Low	99 Å²	99	60.4 Å²	60.4	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-57.3	-50.6	176.1	-71.7	177.6	69	166.2	0.3	112	M289 E290 F295 R296 L297 D362	M289-R293 WeakPolarHBondContact O-CG 3.38Å; M289-R293 PolarHBondContact O-N 2.81Å; E290-R293 WeakPolarHBondContact O-CB 3.33Å; E290-R293 PolarHBondContact O-N 3.16Å; R293-F295 VanDerWaalsContact C-N 3.28Å; R293-F295 PolarHBondContact O-N 3.01Å; R293-R296 PolarHBondContact O-N 3.44Å; R293-R296 VanDerWaalsContact O-N 3.15Å; R293-L297 PolarHBondContact O-N 3.19Å; R293-D362 IonicContact CZ-OD2 2.64Å; R293-D362 IonicContact NE-OD2 2.76Å; R293-D362 PolarHBondContact NE-OD2 3.48Å; R293-D362 IonicContact NH2-OD2 2.63Å; R293-D362 PolarHBondContact NH2-OD2 2.82Å
294	L	71.9	Confident	62.1	Low	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-38.5	179.9	-68.4	-175.2	0	0	0	112.6	M277 E290 N291 G292 L297 L298 R355 L358 L359	M277-L294 HydrophobicContact CE-CB 4.1Å; E290-L294 WeakPolarHBondContact O-CG 3.31Å; E290-L294 PolarHBondContact O-N 3.45Å; N291-L294 PolarHBondContact O-N 2.73Å; G292-L294 PolarHBondContact O-N 3.22Å; L294-L297 WeakPolarHBondContact O-CB 2.88Å; L294-L297 PolarHBondContact O-N 2.97Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 3.46Å; L294-R355 HydrophobicContact CD1-CG 3.83Å; L294-L358 HydrophobicContact CD2-CB 3.6Å; L294-L359 HydrophobicContact CD1-CD2 4.03Å; L294-L359 HydrophobicContact CD1-CG 4.07Å; L294-L359 HydrophobicContact CD2-CD2 3.74Å; L294-L359 HydrophobicContact CD2-CG 3.91Å; L294-L359 HydrophobicContact CG-CD2 3.97Å; L294-L359 HydrophobicContact CG-CG 4.37Å
295	F	66.2	Low	63.2	Low	10 Å²	10	52.6 Å²	52.6	4%	0.044	26%	0.261	C	S	.	.	H	α-helix	trans	-69.9	-39.2	176.7	172.5	-75.8	0	0	0	112	W174 I177 I236 I274 L278 N291 G292 R293 L297 L298 C299	W174-F295 HydrophobicContact CH2-CB 3.78Å; W174-F295 AromaticContact CH2-CD1 3.23Å; W174-F295 HydrophobicContact CH2-CD1 3.23Å; W174-F295 HydrophobicContact CH2-CE1 4.11Å; W174-F295 AromaticContact CH2-CG 3.74Å; W174-F295 HydrophobicContact CH2-CG 3.74Å; W174-F295 HydrophobicContact CZ2-CD1 4.2Å; W174-F295 HydrophobicContact CZ3-CB 4.38Å; W174-F295 AromaticContact CZ3-CD1 3.66Å; W174-F295 HydrophobicContact CZ3-CD1 3.66Å; W174-F295 HydrophobicContact CZ3-CE1 4.22Å; W174-F295 HydrophobicContact CZ3-CG 4.07Å; I177-F295 HydrophobicContact CD1-CE1 3.77Å; I177-F295 HydrophobicContact CD1-CZ 4.28Å; I177-F295 HydrophobicContact CG2-CZ 4.47Å; I236-F295 HydrophobicContact CD1-CE1 4.49Å; I236-F295 HydrophobicContact CD1-CZ 3.67Å; I236-F295 HydrophobicContact CG2-CE1 4.34Å; I236-F295 HydrophobicContact CG2-CZ 4.37Å; I274-F295 HydrophobicContact CG2-CD2 3.93Å; I274-F295 HydrophobicContact CG2-CE2 3.6Å; L278-F295 HydrophobicContact CD1-CD2 4.16Å; L278-F295 HydrophobicContact CD1-CE2 3.97Å; L278-F295 HydrophobicContact CD2-CD2 4.43Å; N291-F295 WeakPolarHBondContact O-CB 3.45Å; N291-F295 PolarHBondContact O-N 2.96Å; G292-F295 PolarHBondContact O-N 3.04Å; R293-F295 VanDerWaalsContact C-N 3.28Å; R293-F295 PolarHBondContact O-N 3.01Å; F295-L297 VanDerWaalsContact C-N 3.3Å; F295-L297 PolarHBondContact O-N 3.46Å; F295-L298 PolarHBondContact O-N 3.44Å; F295-C299 WeakPolarHBondContact CE1-SG 3.35Å; F295-C299 VanDerWaalsContact CZ-SG 3.55Å; F295-C299 PolarHBondContact O-N 3.16Å; F295-C299 PolarHBondContact O-SG 3.09Å
296	R	69.8	Low	64.1	Low	85 Å²	85	46.8 Å²	46.8	32%	0.321	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-44.6	171.1	-70.9	-174.1	-65.9	-89.1	3.9	111.6	E170 W174 G292 R293 L298 C299 K300	E170-R296 VanDerWaalsContact OE1-CD 3.23Å; E170-R296 WeakPolarHBondContact OE1-CD 3.13Å; E170-R296 IonicContact OE1-CZ 3.04Å; E170-R296 IonicContact OE1-NE 2.66Å; E170-R296 PolarHBondContact OE1-NE 3.44Å; E170-R296 IonicContact OE1-NH1 2.73Å; E170-R296 PolarHBondContact OE1-NH1 3.12Å; W174-R296 HydrophobicContact CZ2-CG 3.74Å; W174-R296 VanDerWaalsContact NE1-NH1 3.19Å; G292-R296 PolarHBondContact O-N 3.38Å; R293-R296 PolarHBondContact O-N 3.44Å; R293-R296 VanDerWaalsContact O-N 3.15Å; R296-L298 VanDerWaalsContact C-N 3.3Å; R296-L298 PolarHBondContact O-N 3.19Å; R296-C299 PolarHBondContact O-N 3.15Å; R296-K300 WeakPolarHBondContact O-CG 3.4Å; R296-K300 PolarHBondContact O-N 3.05Å
297	L	76.6	Confident	64.2	Low	4 Å²	4	50.9 Å²	50.9	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-44.8	177.1	180	68.5	0	0	0	110.7	R293 L294 F295 K300 L301 L358 L361 D362 L391	R293-L297 PolarHBondContact O-N 3.19Å; L294-L297 WeakPolarHBondContact O-CB 2.88Å; L294-L297 PolarHBondContact O-N 2.97Å; F295-L297 VanDerWaalsContact C-N 3.3Å; F295-L297 PolarHBondContact O-N 3.46Å; L297-K300 WeakPolarHBondContact O-CB 3.42Å; L297-K300 PolarHBondContact O-N 3.36Å; L297-L301 HydrophobicContact CG-CD1 4.13Å; L297-L301 WeakPolarHBondContact O-CB 3.35Å; L297-L301 WeakPolarHBondContact O-CG 3.31Å; L297-L301 PolarHBondContact O-N 3.26Å; L297-L358 HydrophobicContact CD2-CB 4.24Å; L297-L358 HydrophobicContact CD2-CD2 4.08Å; L297-L358 WeakPolarHBondContact CD2-O 3.24Å; L297-L361 HydrophobicContact CD1-CD2 4.21Å; L297-L361 HydrophobicContact CD1-CG 4.25Å; L297-L361 HydrophobicContact CD2-CB 4.12Å; L297-L361 HydrophobicContact CD2-CD2 4.01Å; L297-L361 HydrophobicContact CD2-CG 4.06Å; L297-L361 HydrophobicContact CG-CD2 4.44Å; L297-D362 HydrophobicContact CD2-CB 3.94Å; L297-L391 HydrophobicContact CD1-CD2 3.4Å
298	L	72.3	Confident	63.9	Low	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-40.1	175.8	-75.4	177.6	0	0	0	113	I274 M277 L294 F295 R296 K300 L301 C302 L358	I274-L298 HydrophobicContact CD1-CB 4.17Å; I274-L298 HydrophobicContact CG1-CB 3.86Å; I274-L298 HydrophobicContact CG1-CD1 3.71Å; I274-L298 HydrophobicContact CG1-CG 4.36Å; M277-L298 HydrophobicContact CE-CD1 3.16Å; M277-L298 HydrophobicContact CE-CG 4.3Å; M277-L298 HydrophobicContact SD-CD1 4.27Å; L294-L298 WeakPolarHBondContact O-CG 3.47Å; L294-L298 PolarHBondContact O-N 3.46Å; F295-L298 PolarHBondContact O-N 3.44Å; R296-L298 VanDerWaalsContact C-N 3.3Å; R296-L298 PolarHBondContact O-N 3.19Å; L298-K300 VanDerWaalsContact C-N 3.35Å; L298-K300 PolarHBondContact O-N 2.8Å; L298-L301 HydrophobicContact CD2-CD1 4.15Å; L298-L301 PolarHBondContact O-N 3.33Å; L298-C302 WeakPolarHBondContact O-CB 3.48Å; L298-C302 PolarHBondContact O-N 2.93Å; L298-C302 PolarHBondContact O-SG 3.23Å; L298-C302 VanDerWaalsContact O-SG 3.37Å; L298-L358 HydrophobicContact CD1-CD1 4.21Å; L298-L358 HydrophobicContact CD2-CD1 4.07Å; L298-L358 HydrophobicContact CD2-CD2 4.05Å; L298-L358 HydrophobicContact CG-CD1 4.17Å
299	C	68.9	Low	63.4	Low	24 Å²	24	54.5 Å²	54.5	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-44.6	172.9	-75	0	0	0	0	111.5	F295 R296 C302 T303	F295-C299 WeakPolarHBondContact CE1-SG 3.35Å; F295-C299 VanDerWaalsContact CZ-SG 3.55Å; F295-C299 PolarHBondContact O-N 3.16Å; F295-C299 PolarHBondContact O-SG 3.09Å; R296-C299 PolarHBondContact O-N 3.15Å; C299-C302 PolarHBondContact O-N 2.64Å; C299-T303 WeakPolarHBondContact O-CB 3.47Å; C299-T303 PolarHBondContact O-N 3.2Å; C299-T303 PolarHBondContact O-OG1 3.07Å
300	K	73.1	Confident	62.7	Low	56 Å²	56	56.9 Å²	56.9	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-49.2	174	-73.5	-176.9	176.4	-177.5	0	111.1	R296 L297 L298 C302 T303 V304 L391 D392 F395	R296-K300 WeakPolarHBondContact O-CG 3.4Å; R296-K300 PolarHBondContact O-N 3.05Å; L297-K300 WeakPolarHBondContact O-CB 3.42Å; L297-K300 PolarHBondContact O-N 3.36Å; L298-K300 VanDerWaalsContact C-N 3.35Å; L298-K300 PolarHBondContact O-N 2.8Å; K300-C302 PolarHBondContact O-N 3.39Å; K300-T303 PolarHBondContact O-N 3.11Å; K300-T303 VanDerWaalsContact O-N 3.12Å; K300-V304 WeakPolarHBondContact O-CG2 3.41Å; K300-V304 PolarHBondContact O-N 3.11Å; K300-L391 HydrophobicContact CB-CD1 4.35Å; K300-L391 HydrophobicContact CB-CD2 4.3Å; K300-L391 HydrophobicContact CB-CG 4.39Å; K300-D392 IonicContact NZ-OD1 3.43Å; K300-D392 PolarHBondContact NZ-OD1 3.43Å; K300-F395 HydrophobicContact CB-CD2 4.07Å; K300-F395 HydrophobicContact CB-CE2 4.36Å; K300-F395 HydrophobicContact CB-CG 4.4Å; K300-F395 HydrophobicContact CD-CD1 4.31Å; K300-F395 HydrophobicContact CD-CG 4.39Å; K300-F395 HydrophobicContact CG-CD1 4.09Å; K300-F395 HydrophobicContact CG-CD2 3.89Å; K300-F395 HydrophobicContact CG-CE1 4.12Å; K300-F395 HydrophobicContact CG-CE2 3.95Å; K300-F395 HydrophobicContact CG-CG 3.96Å; K300-F395 HydrophobicContact CG-CZ 4.07Å
301	L	71.4	Confident	61.3	Low	10 Å²	10	59.1 Å²	59.1	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-47.1	177.4	-75.7	164.9	0	0	0	111.3	L297 L298 T303 V304 N305 L325 V329 L358 L361 L391	L297-L301 HydrophobicContact CG-CD1 4.13Å; L297-L301 WeakPolarHBondContact O-CB 3.35Å; L297-L301 WeakPolarHBondContact O-CG 3.31Å; L297-L301 PolarHBondContact O-N 3.26Å; L298-L301 HydrophobicContact CD2-CD1 4.15Å; L298-L301 PolarHBondContact O-N 3.33Å; L301-T303 VanDerWaalsContact C-N 3.3Å; L301-T303 PolarHBondContact O-N 3.16Å; L301-V304 PolarHBondContact O-N 2.83Å; L301-N305 WeakPolarHBondContact O-CB 3.38Å; L301-N305 PolarHBondContact O-N 2.81Å; L301-L325 HydrophobicContact CD2-CD2 4.19Å; L301-V329 HydrophobicContact CD1-CG2 4.08Å; L301-V329 HydrophobicContact CD2-CG2 4.37Å; L301-L358 HydrophobicContact CD1-CD2 4.22Å; L301-L361 HydrophobicContact CD1-CD2 4.32Å; L301-L391 HydrophobicContact CD2-CD1 3.84Å; L301-L391 HydrophobicContact CD2-CD2 3.9Å; L301-L391 HydrophobicContact CD2-CG 4.5Å; L301-L391 HydrophobicContact CG-CD1 4.23Å; L301-L391 HydrophobicContact CG-CD2 3.9Å
302	C	65.8	Low	59.7	Low	29 Å²	29	64.8 Å²	64.8	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-33.5	176.2	-75.9	0	0	0	0	113.4	C270 L298 C299 K300	C270-C302 VanDerWaalsContact CB-SG 3.56Å; L298-C302 WeakPolarHBondContact O-CB 3.48Å; L298-C302 PolarHBondContact O-N 2.93Å; L298-C302 PolarHBondContact O-SG 3.23Å; L298-C302 VanDerWaalsContact O-SG 3.37Å; C299-C302 PolarHBondContact O-N 2.64Å; K300-C302 PolarHBondContact O-N 3.39Å
303	T	65.7	Low	58	Low	18 Å²	18	71.1 Å²	71.1	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-74.6	-38.9	-179.1	-56.4	0	0	0	0	112.3	M237 C299 K300 L301 F395 V398	M237-T303 HydrophobicContact CE-CG2 3.8Å; M237-T303 WeakPolarHBondContact CE-OG1 3.49Å; M237-T303 PolarHBondContact SD-OG1 3.36Å; M237-T303 VanDerWaalsContact SD-OG1 3.38Å; C299-T303 WeakPolarHBondContact O-CB 3.47Å; C299-T303 PolarHBondContact O-N 3.2Å; C299-T303 PolarHBondContact O-OG1 3.07Å; K300-T303 PolarHBondContact O-N 3.11Å; K300-T303 VanDerWaalsContact O-N 3.12Å; L301-T303 VanDerWaalsContact C-N 3.3Å; L301-T303 PolarHBondContact O-N 3.16Å; T303-F395 HydrophobicContact CG2-CD2 4.08Å; T303-F395 HydrophobicContact CG2-CE2 3.81Å; T303-V398 HydrophobicContact CG2-CG1 3.49Å; T303-V398 VanDerWaalsContact CG2-CG1 3.49Å
304	V	65.9	Low	56.2	Low	8 Å²	8	69.9 Å²	69.9	5%	0.048	35%	0.349	C	S	.	.	H	α-helix	trans	-79.2	-34.1	-180	170.6	0	0	0	0	111.2	K300 L301 W321 L391 A394 F395 V398	K300-V304 WeakPolarHBondContact O-CG2 3.41Å; K300-V304 PolarHBondContact O-N 3.11Å; L301-V304 PolarHBondContact O-N 2.83Å; V304-W321 HydrophobicContact CG1-CH2 3.72Å; V304-W321 HydrophobicContact CG1-CZ3 4.31Å; V304-L391 HydrophobicContact CB-CD1 4.22Å; V304-L391 HydrophobicContact CG2-CD1 4.05Å; V304-A394 HydrophobicContact CG1-CB 3.73Å; V304-A394 HydrophobicContact CG2-CB 4.12Å; V304-F395 HydrophobicContact CG2-CB 3.89Å; V304-F395 HydrophobicContact CG2-CD2 4.19Å; V304-V398 HydrophobicContact CG2-CG2 4.48Å
305	N	63.1	Low	54.3	Low	27 Å²	27	77 Å²	77	14%	0.144	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	140.2	-178.3	-164.2	14.1	0	0	0	111.9	L301 R307 A326	L301-N305 WeakPolarHBondContact O-CB 3.38Å; L301-N305 PolarHBondContact O-N 2.81Å; N305-R307 PolarHBondContact O-N 3.44Å; N305-A326 VanDerWaalsContact CG-CB 3.46Å; N305-A326 VanDerWaalsContact ND2-CB 3.29Å; N305-A326 WeakPolarHBondContact ND2-CB 3.39Å; N305-A326 WeakPolarHBondContact OD1-CB 3.14Å
306	E	54.2	Low	53	Low	83 Å²	83	81.9 Å²	81.9	39%	0.388	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	28.4	172.3	-45.1	-165.1	131.2	0	0	117.4	H266 N267	H266-E306 WeakPolarHBondContact CB-OE1 3.33Å; H266-E306 IonicContact CG-OE1 2.7Å; N267-E306 WeakPolarHBondContact CB-OE2 3.44Å; N267-E306 PolarHBondContact N-OE2 2.89Å
307	R	51.3	Low	51.4	Low	99 Å²	99	84 Å²	84	37%	0.374	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-61.2	138.1	168.7	-84.4	-163.3	168.9	-158.6	-11.1	111.7	N305 E401	N305-R307 PolarHBondContact O-N 3.44Å; R307-E401 IonicContact NH1-OE2 2.92Å; R307-E401 PolarHBondContact NH1-OE2 3Å
308	P	45.8	Very low	49.8	Very low	112 Å²	112	85.1 Å²	85.1	73%	0.727	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-53.7	142.2	169.2	-20.4	30.2	0	0	0	110.6	F310	P308-F310 PolarHBondContact O-N 2.71Å; P308-F310 VanDerWaalsContact O-N 3.13Å
309	R	40.3	Very low	48.5	Very low	200 Å²	200	92.2 Å²	92.2	76%	0.755	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-56.6	116.3	-175.9	-61.5	179.8	-177.1	-171	1.9	110.3
310	F	37.2	Very low	47.6	Very low	183 Å²	183	97.2 Å²	97.2	80%	0.803	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-95.6	118.7	159.1	-101	-88.7	0	0	0	108.4	P308	P308-F310 PolarHBondContact O-N 2.71Å; P308-F310 VanDerWaalsContact O-N 3.13Å
311	T	32.9	Very low	46.4	Very low	112 Å²	112	97.6 Å²	97.6	69%	0.687	49%	0.491	S	S	*	.			trans	-85.6	110	168.3	46.3	0	0	0	0	108.3
312	W	27.3	Very low	45.5	Very low	191 Å²	191	100.7 Å²	100.7	72%	0.723	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-99.8	122.3	166.1	-173	-62.5	0	0	0	107.8	G314 H315	W312-G314 VanDerWaalsContact C-N 3.3Å; W312-G314 PolarHBondContact O-N 3.27Å; W312-H315 PolarHBondContact O-N 3.29Å
313	N	26.7	Very low	44.6	Very low	141 Å²	141	102.2 Å²	102.2	75%	0.754	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	34.6	176.2	-59.9	-6.5	0	0	0	116.2	H315	N313-H315 PolarHBondContact O-N 3.41Å
314	G	33.8	Very low	43.7	Very low	74 Å²	74	102.4 Å²	102.4	76%	0.763	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	1.3	174	0	0	0	0	0	115.9	W312	W312-G314 VanDerWaalsContact C-N 3.3Å; W312-G314 PolarHBondContact O-N 3.27Å
315	H	32.2	Very low	43	Very low	149 Å²	149	102.5 Å²	102.5	69%	0.69	51%	0.513	S	S	*	.	B	Isolated β-bridge	trans	-106.3	124.8	177.5	-107.7	-92.7	0	0	0	111.3	W312 N313 V317	W312-H315 PolarHBondContact O-N 3.29Å; N313-H315 PolarHBondContact O-N 3.41Å; H315-V317 PolarHBondContact O-N 3.34Å
316	E	39.2	Very low	42.4	Very low	113 Å²	113	101.9 Å²	101.9	53%	0.528	51%	0.512	S	S	.	.			trans	-72.1	95.7	172.2	-68.3	-168.8	146.3	0	0	110.6	R319	E316-R319 IonicContact OE1-CZ 3.8Å; E316-R319 IonicContact OE1-NE 3.06Å; E316-R319 PolarHBondContact OE1-NE 2.85Å; E316-R319 IonicContact OE1-NH2 3.16Å; E316-R319 PolarHBondContact OE1-NH2 2.94Å; E316-R319 IonicContact OE2-CZ 2.86Å; E316-R319 IonicContact OE2-NE 2.61Å; E316-R319 PolarHBondContact OE2-NE 2.79Å; E316-R319 IonicContact OE2-NH2 2.75Å; E316-R319 PolarHBondContact OE2-NH2 3.13Å
317	V	36.1	Very low	42.3	Very low	129 Å²	129	99 Å²	99	78%	0.782	50%	0.499	S	S	*	.			trans	-93.6	108.2	173.7	-173.5	0	0	0	0	109.2	H315	H315-V317 PolarHBondContact O-N 3.34Å
318	G	41.9	Very low	42.2	Very low	27 Å²	27	95.2 Å²	95.2	28%	0.278	49%	0.486	S	S	.	.			trans	111.9	29.1	152.9	0	0	0	0	0	119.7	N320	G318-N320 VanDerWaalsContact C-N 3.35Å; G318-N320 PolarHBondContact O-N 3.16Å
319	R	45.1	Very low	42.5	Very low	151 Å²	151	90.3 Å²	90.3	57%	0.57	45%	0.454	S	S	*	.	H	α-helix	trans	-60.8	-36.9	176.4	-70.6	-168.1	-159.2	-170.1	6.1	114.2	E316 S323	E316-R319 IonicContact OE1-CZ 3.8Å; E316-R319 IonicContact OE1-NE 3.06Å; E316-R319 PolarHBondContact OE1-NE 2.85Å; E316-R319 IonicContact OE1-NH2 3.16Å; E316-R319 PolarHBondContact OE1-NH2 2.94Å; E316-R319 IonicContact OE2-CZ 2.86Å; E316-R319 IonicContact OE2-NE 2.61Å; E316-R319 PolarHBondContact OE2-NE 2.79Å; E316-R319 IonicContact OE2-NH2 2.75Å; E316-R319 PolarHBondContact OE2-NH2 3.13Å; R319-S323 WeakPolarHBondContact O-CB 3.13Å; R319-S323 PolarHBondContact O-N 2.84Å
320	N	50.2	Low	42.9	Very low	129 Å²	129	81.9 Å²	81.9	69%	0.69	43%	0.426	S	S	*	.	H	α-helix	trans	-69.8	-54.8	-164.6	-80	-3.2	0	0	0	113.4	G318 R322 I324	G318-N320 VanDerWaalsContact C-N 3.35Å; G318-N320 PolarHBondContact O-N 3.16Å; N320-R322 PolarHBondContact O-N 3.37Å; N320-I324 HydrophobicContact CB-CD1 4.46Å; N320-I324 VanDerWaalsContact O-CB 3.28Å; N320-I324 WeakPolarHBondContact O-CB 3.41Å; N320-I324 WeakPolarHBondContact O-CD1 3.31Å; N320-I324 WeakPolarHBondContact O-CG1 3.48Å; N320-I324 PolarHBondContact O-N 3.43Å
321	W	49	Very low	43.5	Very low	65 Å²	65	77.2 Å²	77.2	25%	0.246	40%	0.403	C	S	.	.	H	α-helix	trans	-76.3	-27.4	-171.7	74.6	-88.4	0	0	0	113.6	V304 I324 L325 C390 A394	V304-W321 HydrophobicContact CG1-CH2 3.72Å; V304-W321 HydrophobicContact CG1-CZ3 4.31Å; W321-I324 PolarHBondContact O-N 3.39Å; W321-L325 HydrophobicContact CE3-CD1 3.35Å; W321-L325 HydrophobicContact CE3-CG 4.37Å; W321-L325 HydrophobicContact CZ3-CD1 3.24Å; W321-L325 PolarHBondContact O-N 3.13Å; W321-C390 HydrophobicContact CD2-CB 4.42Å; W321-C390 HydrophobicContact CE3-CB 3.86Å; W321-C390 HydrophobicContact CZ3-CB 4.15Å; W321-A394 HydrophobicContact CH2-CB 3.07Å; W321-A394 HydrophobicContact CZ2-CB 3.47Å; W321-A394 VanDerWaalsContact CZ2-CB 3.47Å; W321-A394 HydrophobicContact CZ3-CB 4.13Å
322	R	51	Low	44.2	Very low	75 Å²	75	73.8 Å²	73.8	28%	0.283	38%	0.38	S	S	.	.	H	α-helix	trans	-69.3	-46.1	177.1	-67.9	-176.7	-179	172.3	1.3	111.8	N320 I324 L325 A326	N320-R322 PolarHBondContact O-N 3.37Å; R322-I324 VanDerWaalsContact C-N 3.26Å; R322-I324 PolarHBondContact O-N 2.77Å; R322-L325 PolarHBondContact O-N 2.6Å; R322-A326 VanDerWaalsContact O-CB 3.3Å; R322-A326 WeakPolarHBondContact O-CB 3.43Å; R322-A326 PolarHBondContact O-N 2.81Å
323	S	48.1	Very low	45	Very low	60 Å²	60	65.5 Å²	65.5	42%	0.42	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-43.7	169.9	175.9	0	0	0	0	110.5	R319 E327	R319-S323 WeakPolarHBondContact O-CB 3.13Å; R319-S323 PolarHBondContact O-N 2.84Å; S323-E327 WeakPolarHBondContact O-CB 3.48Å; S323-E327 PolarHBondContact O-N 3.33Å
324	I	46.6	Very low	45.7	Very low	22 Å²	22	63.9 Å²	63.9	11%	0.113	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-41.7	-178.6	-73.4	165.9	0	0	0	111.9	N320 W321 R322 E327 T328 L371 L380	N320-I324 HydrophobicContact CB-CD1 4.46Å; N320-I324 VanDerWaalsContact O-CB 3.28Å; N320-I324 WeakPolarHBondContact O-CB 3.41Å; N320-I324 WeakPolarHBondContact O-CD1 3.31Å; N320-I324 WeakPolarHBondContact O-CG1 3.48Å; N320-I324 PolarHBondContact O-N 3.43Å; W321-I324 PolarHBondContact O-N 3.39Å; R322-I324 VanDerWaalsContact C-N 3.26Å; R322-I324 PolarHBondContact O-N 2.77Å; I324-E327 CarbonylContact O-C 3.54Å; I324-E327 PolarHBondContact O-N 3.08Å; I324-T328 PolarHBondContact O-N 3.01Å; I324-T328 PolarHBondContact O-OG1 2.94Å; I324-L371 HydrophobicContact CG2-CB 3.71Å; I324-L371 HydrophobicContact CG2-CD1 3.19Å; I324-L371 HydrophobicContact CG2-CG 4.02Å; I324-L380 HydrophobicContact CD1-CB 4.32Å; I324-L380 HydrophobicContact CD1-CD2 3.77Å; I324-L380 HydrophobicContact CG2-CD2 4.28Å
325	L	51.1	Low	45.9	Very low	10 Å²	10	65 Å²	65	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-41	175.7	-89.1	166.8	0	0	0	113	L301 W321 R322 E327 T328 V329 L387	L301-L325 HydrophobicContact CD2-CD2 4.19Å; W321-L325 HydrophobicContact CE3-CD1 3.35Å; W321-L325 HydrophobicContact CE3-CG 4.37Å; W321-L325 HydrophobicContact CZ3-CD1 3.24Å; W321-L325 PolarHBondContact O-N 3.13Å; R322-L325 PolarHBondContact O-N 2.6Å; L325-E327 PolarHBondContact O-N 3.23Å; L325-T328 WeakPolarHBondContact O-CB 3.5Å; L325-T328 PolarHBondContact O-N 2.84Å; L325-V329 WeakPolarHBondContact O-CG2 3.49Å; L325-V329 PolarHBondContact O-N 3.29Å; L325-L387 HydrophobicContact CD2-CB 4.47Å; L325-L387 HydrophobicContact CD2-CD2 3.97Å; L325-L387 HydrophobicContact CG-CD2 4.19Å
326	A	50.7	Low	46.1	Very low	15 Å²	15	68 Å²	68	12%	0.124	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-41.9	171.2	0	0	0	0	0	111	N305 R322 V329 S330	N305-A326 VanDerWaalsContact CG-CB 3.46Å; N305-A326 VanDerWaalsContact ND2-CB 3.29Å; N305-A326 WeakPolarHBondContact ND2-CB 3.39Å; N305-A326 WeakPolarHBondContact OD1-CB 3.14Å; R322-A326 VanDerWaalsContact O-CB 3.3Å; R322-A326 WeakPolarHBondContact O-CB 3.43Å; R322-A326 PolarHBondContact O-N 2.81Å; A326-V329 PolarHBondContact O-N 3.38Å; A326-S330 WeakPolarHBondContact O-CB 3.39Å; A326-S330 PolarHBondContact O-N 2.86Å
327	E	52.6	Low	45.9	Very low	23 Å²	23	70.2 Å²	70.2	11%	0.107	35%	0.346	C	S	.	.	H	α-helix	trans	-73.9	-32.6	177.6	-176.2	157.6	-149.1	0	0	112.2	S323 I324 L325 S330 R331 R374	S323-E327 WeakPolarHBondContact O-CB 3.48Å; S323-E327 PolarHBondContact O-N 3.33Å; I324-E327 CarbonylContact O-C 3.54Å; I324-E327 PolarHBondContact O-N 3.08Å; L325-E327 PolarHBondContact O-N 3.23Å; E327-S330 CarbonylContact O-C 3.51Å; E327-S330 PolarHBondContact O-N 2.9Å; E327-R331 VanDerWaalsContact CD-NE 3.34Å; E327-R331 HydrophobicContact CG-CG 3.85Å; E327-R331 VanDerWaalsContact CG-NE 3.29Å; E327-R331 WeakPolarHBondContact O-CA 3.28Å; E327-R331 WeakPolarHBondContact O-CB 2.93Å; E327-R331 VanDerWaalsContact O-CG 3.26Å; E327-R331 WeakPolarHBondContact O-CG 3.27Å; E327-R331 PolarHBondContact O-N 2.94Å; E327-R331 IonicContact OE1-CZ 3.42Å; E327-R331 IonicContact OE1-NE 2.96Å; E327-R331 PolarHBondContact OE1-NE 3.13Å; E327-R331 IonicContact OE1-NH2 3.79Å; E327-R331 PolarHBondContact OE1-NH2 2.85Å; E327-R374 WeakPolarHBondContact OE1-CA 3.19Å; E327-R374 PolarHBondContact OE1-N 2.81Å; E327-R374 PolarHBondContact OE2-N 3.43Å
328	T	48.4	Very low	45.6	Very low	18 Å²	18	68.2 Å²	68.2	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-60.7	-48.4	169.3	-55	0	0	0	0	108.8	I324 L325 S330 R331 L332 I369 L371	I324-T328 PolarHBondContact O-N 3.01Å; I324-T328 PolarHBondContact O-OG1 2.94Å; L325-T328 WeakPolarHBondContact O-CB 3.5Å; L325-T328 PolarHBondContact O-N 2.84Å; T328-S330 VanDerWaalsContact C-N 3.3Å; T328-S330 PolarHBondContact O-N 3.27Å; T328-R331 PolarHBondContact O-N 2.93Å; T328-L332 HydrophobicContact CG2-CD1 3.84Å; T328-L332 HydrophobicContact CG2-CG 4.19Å; T328-L332 WeakPolarHBondContact O-CB 3.45Å; T328-L332 VanDerWaalsContact O-CD1 3.26Å; T328-L332 WeakPolarHBondContact O-CD1 3.19Å; T328-L332 WeakPolarHBondContact O-CG 3.35Å; T328-L332 PolarHBondContact O-N 3.44Å; T328-I369 HydrophobicContact CG2-CD1 4.36Å; T328-L371 HydrophobicContact CG2-CD2 3.96Å; T328-L371 WeakPolarHBondContact OG1-CD2 3.19Å
329	V	51.5	Low	45	Very low	9 Å²	9	70.7 Å²	70.7	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-64.9	-33.6	177	-177.6	0	0	0	0	112.5	C270 L301 L325 A326	C270-V329 WeakPolarHBondContact SG-CG1 3.43Å; L301-V329 HydrophobicContact CD1-CG2 4.08Å; L301-V329 HydrophobicContact CD2-CG2 4.37Å; L325-V329 WeakPolarHBondContact O-CG2 3.49Å; L325-V329 PolarHBondContact O-N 3.29Å; A326-V329 PolarHBondContact O-N 3.38Å
330	S	48.9	Very low	44.4	Very low	24 Å²	24	72.6 Å²	72.6	17%	0.168	38%	0.384	C	S	.	.	H	α-helix	trans	-73.6	-44.9	176.3	-169.5	0	0	0	0	112.9	A326 E327 T328 S333	A326-S330 WeakPolarHBondContact O-CB 3.39Å; A326-S330 PolarHBondContact O-N 2.86Å; E327-S330 CarbonylContact O-C 3.51Å; E327-S330 PolarHBondContact O-N 2.9Å; T328-S330 VanDerWaalsContact C-N 3.3Å; T328-S330 PolarHBondContact O-N 3.27Å; S330-S333 PolarHBondContact O-N 2.98Å
331	R	49.9	Very low	43.7	Very low	85 Å²	85	68.9 Å²	68.9	32%	0.321	37%	0.368	S	S	.	.	H	α-helix	trans	-76.2	-23.8	179.4	-69.9	-175.9	-178.4	-152	5.4	112.6	E327 T328 S333 L334 M372 S373	E327-R331 VanDerWaalsContact CD-NE 3.34Å; E327-R331 HydrophobicContact CG-CG 3.85Å; E327-R331 VanDerWaalsContact CG-NE 3.29Å; E327-R331 WeakPolarHBondContact O-CA 3.28Å; E327-R331 WeakPolarHBondContact O-CB 2.93Å; E327-R331 VanDerWaalsContact O-CG 3.26Å; E327-R331 WeakPolarHBondContact O-CG 3.27Å; E327-R331 PolarHBondContact O-N 2.94Å; E327-R331 IonicContact OE1-CZ 3.42Å; E327-R331 IonicContact OE1-NE 2.96Å; E327-R331 PolarHBondContact OE1-NE 3.13Å; E327-R331 IonicContact OE1-NH2 3.79Å; E327-R331 PolarHBondContact OE1-NH2 2.85Å; T328-R331 PolarHBondContact O-N 2.93Å; R331-S333 PolarHBondContact O-N 3.43Å; R331-L334 CarbonylContact O-C 3.58Å; R331-L334 PolarHBondContact O-N 2.55Å; R331-L334 VanDerWaalsContact O-N 3.15Å; R331-M372 VanDerWaalsContact NH1-CB 3.28Å; R331-M372 PolarHBondContact NH1-O 2.81Å; R331-M372 PolarHBondContact NH2-O 3.1Å; R331-S373 VanDerWaalsContact NH2-C 3.32Å; R331-S373 PolarHBondContact NH2-O 3.29Å
332	L	48.8	Very low	43.3	Very low	39 Å²	39	71.2 Å²	71.2	20%	0.204	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.2	169.1	-80.1	165.8	0	0	0	112.9	T328 L354 R357	T328-L332 HydrophobicContact CG2-CD1 3.84Å; T328-L332 HydrophobicContact CG2-CG 4.19Å; T328-L332 WeakPolarHBondContact O-CB 3.45Å; T328-L332 VanDerWaalsContact O-CD1 3.26Å; T328-L332 WeakPolarHBondContact O-CD1 3.19Å; T328-L332 WeakPolarHBondContact O-CG 3.35Å; T328-L332 PolarHBondContact O-N 3.44Å; L332-L354 HydrophobicContact CB-CD1 3.82Å; L332-L354 HydrophobicContact CD1-CD1 3.77Å; L332-L354 HydrophobicContact CD2-CD1 4.44Å; L332-L354 HydrophobicContact CG-CD1 4.22Å; L332-R357 HydrophobicContact CD2-CB 3.55Å; L332-R357 HydrophobicContact CD2-CG 3.6Å
333	S	43.9	Very low	42.7	Very low	17 Å²	17	71.4 Å²	71.4	12%	0.119	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-10.2	179	-150.3	0	0	0	0	113.9	H269 S330 R331	H269-S333 WeakPolarHBondContact CE1-CB 3.2Å; H269-S333 PolarHBondContact CE1-OG 3.45Å; H269-S333 VanDerWaalsContact CE1-OG 3.22Å; H269-S333 WeakPolarHBondContact NE2-CB 3.42Å; H269-S333 PolarHBondContact NE2-OG 2.84Å; S330-S333 PolarHBondContact O-N 2.98Å; R331-S333 PolarHBondContact O-N 3.43Å
334	L	41	Very low	42.4	Very low	108 Å²	108	74.7 Å²	74.7	57%	0.565	42%	0.416	S	S	*	.			trans	-132.9	67.5	-170.3	-76.6	158.5	0	0	0	109.5	R331 R336	R331-L334 CarbonylContact O-C 3.58Å; R331-L334 PolarHBondContact O-N 2.55Å; R331-L334 VanDerWaalsContact O-N 3.15Å; L334-R336 VanDerWaalsContact C-N 3.32Å; L334-R336 PolarHBondContact O-N 2.97Å
335	D	38.3	Very low	42	Very low	97 Å²	97	79.2 Å²	79.2	52%	0.519	44%	0.44	S	S	.	.			trans	-66.1	98.6	163.5	-150.3	-4.8	0	0	0	107.3	H337 R353	D335-H337 PolarHBondContact O-N 3.15Å; D335-H337 IonicContact OD1-ND1 3.82Å; D335-R353 IonicContact OD2-CZ 3.87Å; D335-R353 IonicContact OD2-NH1 2.7Å; D335-R353 PolarHBondContact OD2-NH1 2.82Å
336	R	34.9	Very low	41.8	Very low	213 Å²	213	79 Å²	79	80%	0.804	44%	0.44	S	S	*	.			trans	-78.2	54.7	176.2	-95.3	-169.7	-174.4	-175.6	2.6	110	L334	L334-R336 VanDerWaalsContact C-N 3.32Å; L334-R336 PolarHBondContact O-N 2.97Å
337	H	35.4	Very low	41.7	Very low	158 Å²	158	83.7 Å²	83.7	73%	0.731	46%	0.459	S	S	*	.	S	Bend	trans	-123.8	118.6	158.7	-73.4	84.7	0	0	0	106.6	D335 A339	D335-H337 PolarHBondContact O-N 3.15Å; D335-H337 IonicContact OD1-ND1 3.82Å; H337-A339 PolarHBondContact O-N 3.4Å
338	G	30.2	Very low	41.8	Very low	87 Å²	87	87.1 Å²	87.1	90%	0.897	47%	0.474	S	S	*	.	S	Bend	trans	-42.2	119.8	-161.2	0	0	0	0	0	116.6
339	A	29.7	Very low	42.3	Very low	80 Å²	80	92.6 Å²	92.6	66%	0.661	50%	0.498	S	S	*	.			trans	-172	124.3	134.2	0	0	0	0	0	108.1	H337 C341	H337-A339 PolarHBondContact O-N 3.4Å; A339-C341 PolarHBondContact O-N 3.18Å
340	H	33.3	Very low	42.7	Very low	191 Å²	191	96.6 Å²	96.6	88%	0.884	52%	0.515	S	S	*	.			trans	-57.4	86.7	154.8	-103.8	-76.2	0	0	0	107.5	S342	H340-S342 PolarHBondContact O-N 3.15Å; H340-S342 VanDerWaalsContact O-N 3.1Å
341	C	33.6	Very low	43.2	Very low	50 Å²	50	98.2 Å²	98.2	34%	0.338	52%	0.518	S	S	.	.			trans	-85.3	80.3	170.7	-144.4	0	0	0	0	106.7	A339 T343 G346	A339-C341 PolarHBondContact O-N 3.18Å; C341-T343 PolarHBondContact O-N 3.39Å; C341-T343 PolarHBondContact SG-OG1 2.7Å; C341-G346 VanDerWaalsContact SG-CA 3.55Å
342	S	42.1	Very low	43.9	Very low	114 Å²	114	98.1 Å²	98.1	80%	0.797	52%	0.524	S	S	*	.			trans	-79.1	8.6	169.7	39.9	0	0	0	0	112.1	H340	H340-S342 PolarHBondContact O-N 3.15Å; H340-S342 VanDerWaalsContact O-N 3.1Å
343	T	38.1	Very low	44.8	Very low	80 Å²	80	102.7 Å²	102.7	49%	0.491	54%	0.538	S	S	.	.	S	Bend	trans	-92.5	141.9	174	49.7	0	0	0	0	110.6	C341 N345 G346	C341-T343 PolarHBondContact O-N 3.39Å; C341-T343 PolarHBondContact SG-OG1 2.7Å; T343-N345 PolarHBondContact O-N 3.3Å; T343-N345 VanDerWaalsContact O-N 3.07Å; T343-G346 PolarHBondContact O-N 3.06Å
344	L	40.3	Very low	46	Very low	128 Å²	128	102 Å²	102	67%	0.67	53%	0.533	S	S	*	.	H	α-helix	trans	-47.2	-39.3	177.4	-76.4	158.7	0	0	0	112.2	G346 E347 F348	L344-G346 VanDerWaalsContact C-N 3.33Å; L344-G346 PolarHBondContact O-N 3.07Å; L344-E347 PolarHBondContact O-N 3.27Å; L344-F348 VanDerWaalsContact O-CD2 3.25Å; L344-F348 WeakPolarHBondContact O-CD2 3.43Å; L344-F348 PolarHBondContact O-N 3.13Å
345	N	39.3	Very low	47.4	Very low	118 Å²	118	99.3 Å²	99.3	63%	0.631	52%	0.516	S	S	*	.	H	α-helix	trans	-59.1	-38.7	180	-64.5	-2.9	0	0	0	113.3	T343 E347 F348 E349	T343-N345 PolarHBondContact O-N 3.3Å; T343-N345 VanDerWaalsContact O-N 3.07Å; N345-E347 VanDerWaalsContact C-N 3.3Å; N345-E347 PolarHBondContact O-N 3.47Å; N345-F348 PolarHBondContact O-N 3.08Å; N345-E349 PolarHBondContact O-N 3.24Å; N345-E349 VanDerWaalsContact O-N 3.11Å
346	G	47.5	Very low	49.3	Very low	4 Å²	4	101 Å²	101	4%	0.041	52%	0.518	C	S	.	.	H	α-helix	trans	-69.6	-26.7	179.6	0	0	0	0	0	113.8	C341 T343 L344 K350	C341-G346 VanDerWaalsContact SG-CA 3.55Å; T343-G346 PolarHBondContact O-N 3.06Å; L344-G346 VanDerWaalsContact C-N 3.33Å; L344-G346 PolarHBondContact O-N 3.07Å; G346-K350 WeakPolarHBondContact O-CD 3.23Å; G346-K350 VanDerWaalsContact O-CG 3.24Å; G346-K350 WeakPolarHBondContact O-CG 3.23Å; G346-K350 PolarHBondContact O-N 2.69Å
347	E	48.7	Very low	51.4	Low	114 Å²	114	94.4 Å²	94.4	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-75.9	-38.7	173.3	-66	-160.3	138.6	0	0	111.8	L344 N345 K350 R351	L344-E347 PolarHBondContact O-N 3.27Å; N345-E347 VanDerWaalsContact C-N 3.3Å; N345-E347 PolarHBondContact O-N 3.47Å; E347-K350 PolarHBondContact O-N 3.02Å; E347-R351 PolarHBondContact O-N 2.49Å
348	F	53.5	Low	53.5	Low	96 Å²	96	87 Å²	87	42%	0.421	46%	0.459	S	S	.	.	H	α-helix	trans	-60.1	-48.4	174.6	-83.8	-79.1	0	0	0	111.7	L344 N345 K350 R351 D352	L344-F348 VanDerWaalsContact O-CD2 3.25Å; L344-F348 WeakPolarHBondContact O-CD2 3.43Å; L344-F348 PolarHBondContact O-N 3.13Å; N345-F348 PolarHBondContact O-N 3.08Å; F348-K350 VanDerWaalsContact C-N 3.33Å; F348-K350 PolarHBondContact O-N 3.39Å; F348-R351 WeakPolarHBondContact O-CB 3.42Å; F348-R351 PolarHBondContact O-N 3.43Å; F348-R351 VanDerWaalsContact O-N 3.11Å; F348-D352 PolarHBondContact O-N 2.79Å
349	E	60.3	Low	56	Low	132 Å²	132	85.4 Å²	85.4	62%	0.617	43%	0.43	S	S	*	.	H	α-helix	trans	-61	-40.5	178.7	-72.5	-179.8	179.1	0	0	112.7	N345 R351 D352 R353	N345-E349 PolarHBondContact O-N 3.24Å; N345-E349 VanDerWaalsContact O-N 3.11Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 2.9Å; E349-D352 PolarHBondContact O-N 3.18Å; E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.48Å; E349-R353 PolarHBondContact O-N 3.44Å
350	K	58.5	Low	58.6	Low	94 Å²	94	82.4 Å²	82.4	41%	0.409	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-40.8	175.1	-74.9	173.5	-175	179.8	0	111.6	G346 E347 F348 L354	G346-K350 WeakPolarHBondContact O-CD 3.23Å; G346-K350 VanDerWaalsContact O-CG 3.24Å; G346-K350 WeakPolarHBondContact O-CG 3.23Å; G346-K350 PolarHBondContact O-N 2.69Å; E347-K350 PolarHBondContact O-N 3.02Å; F348-K350 VanDerWaalsContact C-N 3.33Å; F348-K350 PolarHBondContact O-N 3.39Å; K350-L354 PolarHBondContact O-N 3.29Å
351	R	59.7	Low	61.1	Low	57 Å²	57	73.9 Å²	73.9	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-47	178.4	-173.2	-174.1	70.5	176.1	2.7	111.5	S280 E347 F348 E349 R353 L354 R355	S280-R351 PolarHBondContact OG-NH1 2.88Å; E347-R351 PolarHBondContact O-N 2.49Å; F348-R351 WeakPolarHBondContact O-CB 3.42Å; F348-R351 PolarHBondContact O-N 3.43Å; F348-R351 VanDerWaalsContact O-N 3.11Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 2.9Å; R351-R353 VanDerWaalsContact C-N 3.34Å; R351-R353 PolarHBondContact O-N 3.44Å; R351-L354 PolarHBondContact O-N 2.86Å; R351-R355 WeakPolarHBondContact O-CB 3.29Å; R351-R355 PolarHBondContact O-N 2.86Å
352	D	65	Low	63.5	Low	84 Å²	84	72.8 Å²	72.8	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-67.9	-37.3	-178.7	-70.5	-10.4	0	0	0	111.3	F348 E349 R355 K356	F348-D352 PolarHBondContact O-N 2.79Å; E349-D352 PolarHBondContact O-N 3.18Å; D352-R355 PolarHBondContact O-N 3.03Å; D352-K356 WeakPolarHBondContact O-CB 3.38Å; D352-K356 PolarHBondContact O-N 2.88Å
353	R	68	Low	65.7	Low	134 Å²	134	70.2 Å²	70.2	51%	0.506	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-46.2	172.4	-170.2	-175.2	-68.8	-169.7	0.7	111.8	D335 E349 R351 K356 R357	D335-R353 IonicContact OD2-CZ 3.87Å; D335-R353 IonicContact OD2-NH1 2.7Å; D335-R353 PolarHBondContact OD2-NH1 2.82Å; E349-R353 VanDerWaalsContact O-CB 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.48Å; E349-R353 PolarHBondContact O-N 3.44Å; R351-R353 VanDerWaalsContact C-N 3.34Å; R351-R353 PolarHBondContact O-N 3.44Å; R353-K356 PolarHBondContact O-N 3.49Å; R353-R357 WeakPolarHBondContact O-CB 3.22Å; R353-R357 WeakPolarHBondContact O-CG 3.41Å; R353-R357 PolarHBondContact O-N 2.96Å
354	L	67.8	Low	68.1	Low	4 Å²	4	67.2 Å²	67.2	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-48.2	175.2	172.8	68.3	0	0	0	111.1	Q273 L332 K350 R351 K356 R357 L358	Q273-L354 HydrophobicContact CG-CD2 3.12Å; L332-L354 HydrophobicContact CB-CD1 3.82Å; L332-L354 HydrophobicContact CD1-CD1 3.77Å; L332-L354 HydrophobicContact CD2-CD1 4.44Å; L332-L354 HydrophobicContact CG-CD1 4.22Å; K350-L354 PolarHBondContact O-N 3.29Å; R351-L354 PolarHBondContact O-N 2.86Å; L354-K356 VanDerWaalsContact C-N 3.3Å; L354-K356 PolarHBondContact O-N 3.16Å; L354-R357 PolarHBondContact O-N 2.82Å; L354-R357 VanDerWaalsContact O-N 3.1Å; L354-L358 HydrophobicContact CD1-CD1 3.96Å; L354-L358 HydrophobicContact CD1-CD2 4.36Å; L354-L358 HydrophobicContact CD1-CG 3.82Å; L354-L358 HydrophobicContact CD2-CD1 4.21Å; L354-L358 HydrophobicContact CG-CD1 3.82Å; L354-L358 HydrophobicContact CG-CG 4.12Å; L354-L358 WeakPolarHBondContact O-CG 3.33Å; L354-L358 PolarHBondContact O-N 2.89Å
355	R	70.8	Confident	70.4	Confident	51 Å²	51	64.6 Å²	64.6	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-55.6	-47.7	179.8	-178.3	-178.7	172.6	-175.3	-2.7	110.5	E290 L294 R351 D352 R357 L358 L359	E290-R355 IonicContact OE2-NH2 3.08Å; E290-R355 PolarHBondContact OE2-NH2 2.73Å; E290-R355 VanDerWaalsContact OE2-NH2 3.08Å; L294-R355 HydrophobicContact CD1-CG 3.83Å; R351-R355 WeakPolarHBondContact O-CB 3.29Å; R351-R355 PolarHBondContact O-N 2.86Å; D352-R355 PolarHBondContact O-N 3.03Å; R355-R357 PolarHBondContact O-N 2.75Å; R355-L358 PolarHBondContact O-N 2.62Å; R355-L359 HydrophobicContact CG-CD1 4.07Å; R355-L359 WeakPolarHBondContact O-CB 3.41Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.16Å; R355-L359 PolarHBondContact O-N 3.4Å
356	K	78.4	Confident	72.8	Confident	132 Å²	132	66.1 Å²	66.1	57%	0.574	31%	0.314	S	S	*	.	H	α-helix	trans	-55.8	-49.5	175	-177	177.7	179.4	178.3	0	111.4	D352 R353 L354 L358 L359 Q360	D352-K356 WeakPolarHBondContact O-CB 3.38Å; D352-K356 PolarHBondContact O-N 2.88Å; R353-K356 PolarHBondContact O-N 3.49Å; L354-K356 VanDerWaalsContact C-N 3.3Å; L354-K356 PolarHBondContact O-N 3.16Å; K356-L358 PolarHBondContact O-N 2.99Å; K356-L359 WeakPolarHBondContact O-CB 3.29Å; K356-L359 PolarHBondContact O-N 2.93Å; K356-Q360 VanDerWaalsContact O-CG 3.25Å; K356-Q360 WeakPolarHBondContact O-CG 3.22Å; K356-Q360 PolarHBondContact O-N 3.25Å
357	R	79.3	Confident	74.7	Confident	74 Å²	74	69.9 Å²	69.9	28%	0.279	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-37.6	-178.3	-67.5	-79.9	-178.4	-155.2	9.1	112.6	L332 R353 L354 R355 Q360 L361 E367 Y384	L332-R357 HydrophobicContact CD2-CB 3.55Å; L332-R357 HydrophobicContact CD2-CG 3.6Å; R353-R357 WeakPolarHBondContact O-CB 3.22Å; R353-R357 WeakPolarHBondContact O-CG 3.41Å; R353-R357 PolarHBondContact O-N 2.96Å; L354-R357 PolarHBondContact O-N 2.82Å; L354-R357 VanDerWaalsContact O-N 3.1Å; R355-R357 PolarHBondContact O-N 2.75Å; R357-Q360 PolarHBondContact O-N 2.96Å; R357-L361 PolarHBondContact O-N 3.26Å; R357-E367 IonicContact CZ-OE1 3.93Å; R357-E367 IonicContact NH1-OE1 2.94Å; R357-E367 PolarHBondContact NH1-OE1 2.09Å; R357-Y384 WeakPolarHBondContact CD-OH 3.21Å; R357-Y384 PolarHBondContact NH1-OH 3.46Å; R357-Y384 WeakPolarHBondContact O-CE1 3.35Å
358	L	79.1	Confident	76.4	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-38.3	173.7	-67.9	172.9	0	0	0	111.8	M277 L294 L297 L298 L301 L354 R355 K356 Q360 L361 D362	M277-L358 HydrophobicContact CE-CD1 4.23Å; M277-L358 HydrophobicContact SD-CD1 3.91Å; L294-L358 HydrophobicContact CD2-CB 3.6Å; L297-L358 HydrophobicContact CD2-CB 4.24Å; L297-L358 HydrophobicContact CD2-CD2 4.08Å; L297-L358 WeakPolarHBondContact CD2-O 3.24Å; L298-L358 HydrophobicContact CD1-CD1 4.21Å; L298-L358 HydrophobicContact CD2-CD1 4.07Å; L298-L358 HydrophobicContact CD2-CD2 4.05Å; L298-L358 HydrophobicContact CG-CD1 4.17Å; L301-L358 HydrophobicContact CD1-CD2 4.22Å; L354-L358 HydrophobicContact CD1-CD1 3.96Å; L354-L358 HydrophobicContact CD1-CD2 4.36Å; L354-L358 HydrophobicContact CD1-CG 3.82Å; L354-L358 HydrophobicContact CD2-CD1 4.21Å; L354-L358 HydrophobicContact CG-CD1 3.82Å; L354-L358 HydrophobicContact CG-CG 4.12Å; L354-L358 WeakPolarHBondContact O-CG 3.33Å; L354-L358 PolarHBondContact O-N 2.89Å; R355-L358 PolarHBondContact O-N 2.62Å; K356-L358 PolarHBondContact O-N 2.99Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; L358-L361 PolarHBondContact O-N 3.4Å; L358-D362 WeakPolarHBondContact O-CB 3.09Å; L358-D362 PolarHBondContact O-N 3.26Å
359	L	82.9	Confident	77.6	Confident	54 Å²	54	68.1 Å²	68.1	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-40.3	173.5	-73.6	168.3	0	0	0	111.3	L294 R355 K356 L361 D362 A363	L294-L359 HydrophobicContact CD1-CD2 4.03Å; L294-L359 HydrophobicContact CD1-CG 4.07Å; L294-L359 HydrophobicContact CD2-CD2 3.74Å; L294-L359 HydrophobicContact CD2-CG 3.91Å; L294-L359 HydrophobicContact CG-CD2 3.97Å; L294-L359 HydrophobicContact CG-CG 4.37Å; R355-L359 HydrophobicContact CG-CD1 4.07Å; R355-L359 WeakPolarHBondContact O-CB 3.41Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.16Å; R355-L359 PolarHBondContact O-N 3.4Å; K356-L359 WeakPolarHBondContact O-CB 3.29Å; K356-L359 PolarHBondContact O-N 2.93Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-D362 PolarHBondContact O-N 2.59Å; L359-A363 VanDerWaalsContact O-CB 3.23Å; L359-A363 WeakPolarHBondContact O-CB 3.4Å; L359-A363 PolarHBondContact O-N 2.9Å
360	Q	84.4	Confident	78.3	Confident	16 Å²	16	68 Å²	68	8%	0.075	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-40.3	174.7	-68.4	177.5	-38.6	0	0	111.9	K356 R357 L358 G364 L365 E367 Y384	K356-Q360 VanDerWaalsContact O-CG 3.25Å; K356-Q360 WeakPolarHBondContact O-CG 3.22Å; K356-Q360 PolarHBondContact O-N 3.25Å; R357-Q360 PolarHBondContact O-N 2.96Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; Q360-G364 PolarHBondContact O-N 2.99Å; Q360-L365 HydrophobicContact CB-CD1 3.98Å; Q360-L365 HydrophobicContact CG-CD1 3.76Å; Q360-L365 PolarHBondContact O-N 3.35Å; Q360-E367 PolarHBondContact NE2-OE2 2.83Å; Q360-Y384 HydrophobicContact CB-CD1 4.13Å; Q360-Y384 HydrophobicContact CB-CD2 3.81Å; Q360-Y384 HydrophobicContact CB-CE1 4.08Å; Q360-Y384 HydrophobicContact CB-CE2 3.76Å; Q360-Y384 HydrophobicContact CB-CG 3.99Å; Q360-Y384 HydrophobicContact CG-CE2 4.44Å; Q360-Y384 WeakPolarHBondContact O-CB 3.35Å; Q360-Y384 PolarHBondContact OE1-OH 3.44Å
361	L	86.4	Confident	78.7	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-47.3	174.6	-178.9	60.1	0	0	0	111.8	L297 L301 R357 L358 L359 A363 G364 Y384 L387 H388	L297-L361 HydrophobicContact CD1-CD2 4.21Å; L297-L361 HydrophobicContact CD1-CG 4.25Å; L297-L361 HydrophobicContact CD2-CB 4.12Å; L297-L361 HydrophobicContact CD2-CD2 4.01Å; L297-L361 HydrophobicContact CD2-CG 4.06Å; L297-L361 HydrophobicContact CG-CD2 4.44Å; L301-L361 HydrophobicContact CD1-CD2 4.32Å; R357-L361 PolarHBondContact O-N 3.26Å; L358-L361 PolarHBondContact O-N 3.4Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L361-A363 VanDerWaalsContact C-N 3.31Å; L361-A363 PolarHBondContact O-N 2.81Å; L361-G364 PolarHBondContact O-N 3.26Å; L361-G364 VanDerWaalsContact O-N 3.09Å; L361-Y384 VanDerWaalsContact CA-CD1 3.45Å; L361-Y384 HydrophobicContact CB-CD1 3.69Å; L361-Y384 HydrophobicContact CB-CE1 4.09Å; L361-Y384 HydrophobicContact CD1-CD1 4.08Å; L361-Y384 HydrophobicContact CG-CD1 4.49Å; L361-L387 HydrophobicContact CD1-CB 3.54Å; L361-H388 HydrophobicContact CD1-CB 4.31Å; L361-H388 PolarHBondContact O-CD2 3.33Å; L361-H388 VanDerWaalsContact O-CD2 3.23Å
362	D	84.1	Confident	78.7	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.139	31%	0.31	C	S	.	.	H	α-helix	trans	-66	-32.5	179.5	-166.4	65	0	0	0	112.9	R293 L297 L358 L359 G364	R293-D362 IonicContact CZ-OD2 2.64Å; R293-D362 IonicContact NE-OD2 2.76Å; R293-D362 PolarHBondContact NE-OD2 3.48Å; R293-D362 IonicContact NH2-OD2 2.63Å; R293-D362 PolarHBondContact NH2-OD2 2.82Å; L297-D362 HydrophobicContact CD2-CB 3.94Å; L358-D362 WeakPolarHBondContact O-CB 3.09Å; L358-D362 PolarHBondContact O-N 3.26Å; L359-D362 PolarHBondContact O-N 2.59Å; D362-G364 VanDerWaalsContact C-N 3.29Å
363	A	88	Confident	78.5	Confident	60 Å²	60	61.1 Å²	61.1	50%	0.496	30%	0.295	S	S	.	.	H	α-helix	trans	-77.8	-13.6	174	0	0	0	0	0	113.1	L359 L361 L365	L359-A363 VanDerWaalsContact O-CB 3.23Å; L359-A363 WeakPolarHBondContact O-CB 3.4Å; L359-A363 PolarHBondContact O-N 2.9Å; L361-A363 VanDerWaalsContact C-N 3.31Å; L361-A363 PolarHBondContact O-N 2.81Å; A363-L365 HydrophobicContact CB-CD2 3.96Å; A363-L365 HydrophobicContact CB-CG 4.06Å
364	G	87.3	Confident	77.9	Confident	17 Å²	17	62.5 Å²	62.5	18%	0.175	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	44.8	-179.1	0	0	0	0	0	113.2	Q360 L361 D362 Q385	Q360-G364 PolarHBondContact O-N 2.99Å; L361-G364 PolarHBondContact O-N 3.26Å; L361-G364 VanDerWaalsContact O-N 3.09Å; D362-G364 VanDerWaalsContact C-N 3.29Å; G364-Q385 VanDerWaalsContact O-CB 3.27Å; G364-Q385 WeakPolarHBondContact O-CB 3.29Å; G364-Q385 WeakPolarHBondContact O-CG 3.27Å
365	L	89.1	Confident	77.8	Confident	73 Å²	73	66.5 Å²	66.5	38%	0.382	32%	0.321	S	S	.	.			trans	-68	152.7	-176.8	-59.4	-177	0	0	0	113	Q360 A363 E367 Y384 Q385	Q360-L365 HydrophobicContact CB-CD1 3.98Å; Q360-L365 HydrophobicContact CG-CD1 3.76Å; Q360-L365 PolarHBondContact O-N 3.35Å; A363-L365 HydrophobicContact CB-CD2 3.96Å; A363-L365 HydrophobicContact CB-CG 4.06Å; L365-E367 PolarHBondContact O-N 2.95Å; L365-Y384 CarbonylContact O-C 3.34Å; L365-Y384 WeakPolarHBondContact O-CA 3.41Å; L365-Y384 VanDerWaalsContact O-CB 3.23Å; L365-Y384 WeakPolarHBondContact O-CB 2.99Å; L365-Y384 PolarHBondContact O-N 3.46Å; L365-Q385 PolarHBondContact O-N 3.35Å
366	E	90.6	Very high	77.8	Confident	150 Å²	150	69.8 Å²	69.8	70%	0.701	34%	0.339	S	S	*	.			trans	-75.9	-7.7	175.8	-63.9	-174.4	173.4	0	0	113.4	K368	E366-K368 PolarHBondContact O-N 2.84Å
367	E	87.3	Confident	77.5	Confident	84 Å²	84	71 Å²	71	39%	0.393	35%	0.347	S	S	.	.			trans	-54.5	125.6	176.2	-175.4	-171.4	145.4	0	0	110.2	R357 Q360 L365 S383 Y384	R357-E367 IonicContact CZ-OE1 3.93Å; R357-E367 IonicContact NH1-OE1 2.94Å; R357-E367 PolarHBondContact NH1-OE1 2.09Å; Q360-E367 PolarHBondContact NE2-OE2 2.83Å; L365-E367 PolarHBondContact O-N 2.95Å; E367-S383 WeakPolarHBondContact O-CA 3.38Å; E367-Y384 HydrophobicContact CB-CD2 4.17Å; E367-Y384 WeakPolarHBondContact O-CD2 3.13Å; E367-Y384 PolarHBondContact O-N 3.39Å; E367-Y384 VanDerWaalsContact O-N 3.11Å
368	K	84	Confident	76.5	Confident	156 Å²	156	72.3 Å²	72.3	68%	0.678	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.9	-179.8	-66.6	-177.6	-179.7	-178.6	0	110.9	E366 I381 V382	E366-K368 PolarHBondContact O-N 2.84Å; K368-I381 HydrophobicContact CB-CG2 3.92Å; K368-I381 HydrophobicContact CD-CG2 4Å; K368-I381 HydrophobicContact CG-CG2 4.41Å; K368-V382 CarbonylContact C-O 3.51Å; K368-V382 WeakPolarHBondContact CA-O 3.38Å
369	I	77.8	Confident	76.1	Confident	16 Å²	16	75.9 Å²	75.9	8%	0.082	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.9	170.6	63.3	175.6	0	0	0	110.9	T328 L371 I381 V382 Y384 L387	T328-I369 HydrophobicContact CG2-CD1 4.36Å; I369-L371 HydrophobicContact CD1-CD1 4.49Å; I369-L371 HydrophobicContact CD1-CD2 3.73Å; I369-L371 HydrophobicContact CD1-CG 4.31Å; I369-L371 HydrophobicContact CG1-CD2 4.04Å; I369-L371 HydrophobicContact CG1-CG 4.19Å; I369-I381 WeakPolarHBondContact O-CA 3.34Å; I369-V382 HydrophobicContact CG1-CG1 4.2Å; I369-V382 PolarHBondContact N-O 2.83Å; I369-V382 PolarHBondContact O-N 3.45Å; I369-Y384 HydrophobicContact CD1-CE1 3.97Å; I369-Y384 HydrophobicContact CG2-CD2 4.23Å; I369-Y384 HydrophobicContact CG2-CE1 4.49Å; I369-Y384 HydrophobicContact CG2-CE2 3.37Å; I369-Y384 WeakPolarHBondContact CG2-OH 3.15Å; I369-L387 HydrophobicContact CD1-CD1 3.55Å; I369-L387 HydrophobicContact CG1-CD1 4.08Å
370	M	75.3	Confident	75.5	Confident	129 Å²	129	76.8 Å²	76.8	64%	0.635	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.2	173.2	-173.7	-176	-69.3	0	0	109	V379	M370-V379 HydrophobicContact CE-CG1 4.38Å; M370-V379 HydrophobicContact CG-CG1 3.37Å; M370-V379 HydrophobicContact SD-CG1 3.78Å
371	L	67.5	Low	75.3	Confident	16 Å²	16	81 Å²	81	8%	0.084	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.6	172.6	-54.2	-179.8	0	0	0	107.5	I324 T328 I369 V379 L380 V382 L387	I324-L371 HydrophobicContact CG2-CB 3.71Å; I324-L371 HydrophobicContact CG2-CD1 3.19Å; I324-L371 HydrophobicContact CG2-CG 4.02Å; T328-L371 HydrophobicContact CG2-CD2 3.96Å; T328-L371 WeakPolarHBondContact OG1-CD2 3.19Å; I369-L371 HydrophobicContact CD1-CD1 4.49Å; I369-L371 HydrophobicContact CD1-CD2 3.73Å; I369-L371 HydrophobicContact CD1-CG 4.31Å; I369-L371 HydrophobicContact CG1-CD2 4.04Å; I369-L371 HydrophobicContact CG1-CG 4.19Å; L371-V379 CarbonylContact O-C 3.51Å; L371-V379 WeakPolarHBondContact O-CA 3.45Å; L371-L380 HydrophobicContact CB-CB 4.41Å; L371-L380 PolarHBondContact N-O 3.23Å; L371-L380 PolarHBondContact O-N 2.94Å; L371-V382 HydrophobicContact CD1-CG1 3.46Å; L371-V382 VanDerWaalsContact CD1-CG1 3.46Å; L371-V382 HydrophobicContact CG-CG1 4.04Å; L371-L387 HydrophobicContact CD1-CD1 4.23Å; L371-L387 HydrophobicContact CD1-CD2 4.06Å
372	M	60.7	Low	74.8	Confident	59 Å²	59	81.3 Å²	81.3	29%	0.291	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.6	179.4	164.5	-167.2	-70.9	0	0	107.5	R331 Q376 N378 V379	R331-M372 VanDerWaalsContact NH1-CB 3.28Å; R331-M372 PolarHBondContact NH1-O 2.81Å; R331-M372 PolarHBondContact NH2-O 3.1Å; M372-Q376 HydrophobicContact CG-CB 4.3Å; M372-Q376 HydrophobicContact CG-CG 4.47Å; M372-Q376 HydrophobicContact SD-CB 3.75Å; M372-Q376 HydrophobicContact SD-CG 3.76Å; M372-N378 CarbonylContact C-O 3.18Å; M372-N378 VanDerWaalsContact CA-O 3.29Å; M372-N378 WeakPolarHBondContact CA-O 3.44Å; M372-V379 HydrophobicContact CB-CG2 4.34Å; M372-V379 HydrophobicContact CE-CG2 3.94Å; M372-V379 HydrophobicContact CG-CG2 4.42Å
373	S	59.5	Low	74.9	Confident	17 Å²	17	80.3 Å²	80.3	12%	0.119	41%	0.405	C	S	.	.			trans	-62.8	157.3	178.6	54	0	0	0	0	111.1	R331 D375 Q376 N378	R331-S373 VanDerWaalsContact NH2-C 3.32Å; R331-S373 PolarHBondContact NH2-O 3.29Å; S373-D375 VanDerWaalsContact CB-OD1 3.27Å; S373-D375 WeakPolarHBondContact CB-OD1 3.32Å; S373-D375 PolarHBondContact O-N 2.95Å; S373-D375 PolarHBondContact OG-OD1 2.79Å; S373-Q376 WeakPolarHBondContact O-CA 3.32Å; S373-Q376 PolarHBondContact O-N 2.8Å; S373-N378 PolarHBondContact N-O 2.81Å; S373-N378 WeakPolarHBondContact OG-CA 3.49Å; S373-N378 WeakPolarHBondContact OG-CB 3.08Å; S373-N378 PolarHBondContact OG-N 2.81Å; S373-N378 PolarHBondContact OG-O 3.14Å; S373-N378 VanDerWaalsContact OG-O 3.14Å
374	R	56.5	Low	74.6	Confident	162 Å²	162	77.8 Å²	77.8	61%	0.611	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.8	179.4	-169.6	178.1	-177.6	-176.2	2.8	114.9	E327 Q376	E327-R374 WeakPolarHBondContact OE1-CA 3.19Å; E327-R374 PolarHBondContact OE1-N 2.81Å; E327-R374 PolarHBondContact OE2-N 3.43Å; R374-Q376 PolarHBondContact O-N 2.94Å
375	D	64.5	Low	74.6	Confident	89 Å²	89	79.7 Å²	79.7	48%	0.476	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.4	175.6	57.9	14.4	0	0	0	113.4	S373 Q377	S373-D375 VanDerWaalsContact CB-OD1 3.27Å; S373-D375 WeakPolarHBondContact CB-OD1 3.32Å; S373-D375 PolarHBondContact O-N 2.95Å; S373-D375 PolarHBondContact OG-OD1 2.79Å; D375-Q377 HydrophobicContact CB-CG 4.12Å; D375-Q377 PolarHBondContact O-N 3.45Å; D375-Q377 VanDerWaalsContact O-N 3.16Å; D375-Q377 PolarHBondContact OD1-N 2.86Å
376	Q	71.3	Confident	74.2	Confident	120 Å²	120	79.3 Å²	79.3	56%	0.561	39%	0.385	S	S	*	.	S	Bend	trans	59.8	13.9	-174.9	-53.2	-176.9	-5.4	0	0	114.5	M372 S373 R374	M372-Q376 HydrophobicContact CG-CB 4.3Å; M372-Q376 HydrophobicContact CG-CG 4.47Å; M372-Q376 HydrophobicContact SD-CB 3.75Å; M372-Q376 HydrophobicContact SD-CG 3.76Å; S373-Q376 WeakPolarHBondContact O-CA 3.32Å; S373-Q376 PolarHBondContact O-N 2.8Å; R374-Q376 PolarHBondContact O-N 2.94Å
377	Q	71.3	Confident	73.8	Confident	158 Å²	158	72.6 Å²	72.6	74%	0.738	35%	0.354	S	S	*	.			trans	-89.2	-25.4	-177.8	-63.3	-170.6	-14.9	0	0	112.5	D375	D375-Q377 HydrophobicContact CB-CG 4.12Å; D375-Q377 PolarHBondContact O-N 3.45Å; D375-Q377 VanDerWaalsContact O-N 3.16Å; D375-Q377 PolarHBondContact OD1-N 2.86Å
378	N	59.5	Low	73.6	Confident	101 Å²	101	70.7 Å²	70.7	54%	0.54	35%	0.345	S	S	.	.			trans	-118.9	134.2	-176.8	-58.6	-74.5	0	0	0	110.4	M372 S373	M372-N378 CarbonylContact C-O 3.18Å; M372-N378 VanDerWaalsContact CA-O 3.29Å; M372-N378 WeakPolarHBondContact CA-O 3.44Å; S373-N378 PolarHBondContact N-O 2.81Å; S373-N378 WeakPolarHBondContact OG-CA 3.49Å; S373-N378 WeakPolarHBondContact OG-CB 3.08Å; S373-N378 PolarHBondContact OG-N 2.81Å; S373-N378 PolarHBondContact OG-O 3.14Å; S373-N378 VanDerWaalsContact OG-O 3.14Å
379	V	69.8	Low	73.6	Confident	78 Å²	78	69.4 Å²	69.4	47%	0.473	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.1	173.9	179.8	0	0	0	0	108.4	M370 L371 M372	M370-V379 HydrophobicContact CE-CG1 4.38Å; M370-V379 HydrophobicContact CG-CG1 3.37Å; M370-V379 HydrophobicContact SD-CG1 3.78Å; L371-V379 CarbonylContact O-C 3.51Å; L371-V379 WeakPolarHBondContact O-CA 3.45Å; M372-V379 HydrophobicContact CB-CG2 4.34Å; M372-V379 HydrophobicContact CE-CG2 3.94Å; M372-V379 HydrophobicContact CG-CG2 4.42Å
380	L	70.3	Confident	73.6	Confident	72 Å²	72	70.6 Å²	70.6	38%	0.377	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.2	175	179.4	67.3	0	0	0	108.8	I324 L371 V382	I324-L380 HydrophobicContact CD1-CB 4.32Å; I324-L380 HydrophobicContact CD1-CD2 3.77Å; I324-L380 HydrophobicContact CG2-CD2 4.28Å; L371-L380 HydrophobicContact CB-CB 4.41Å; L371-L380 PolarHBondContact N-O 3.23Å; L371-L380 PolarHBondContact O-N 2.94Å; L380-V382 HydrophobicContact CD2-CB 4.43Å; L380-V382 HydrophobicContact CD2-CG1 4.46Å; L380-V382 HydrophobicContact CG-CB 4.28Å
381	I	79.9	Confident	73.8	Confident	106 Å²	106	64.5 Å²	64.5	54%	0.544	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.5	170.6	-57.9	175.2	0	0	0	107.5	K368 I369	K368-I381 HydrophobicContact CB-CG2 3.92Å; K368-I381 HydrophobicContact CD-CG2 4Å; K368-I381 HydrophobicContact CG-CG2 4.41Å; I369-I381 WeakPolarHBondContact O-CA 3.34Å
382	V	77.7	Confident	74.4	Confident	18 Å²	18	66.6 Å²	66.6	11%	0.109	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.4	-172	64.2	0	0	0	0	110.3	K368 I369 L371 L380 D386 L387	K368-V382 CarbonylContact C-O 3.51Å; K368-V382 WeakPolarHBondContact CA-O 3.38Å; I369-V382 HydrophobicContact CG1-CG1 4.2Å; I369-V382 PolarHBondContact N-O 2.83Å; I369-V382 PolarHBondContact O-N 3.45Å; L371-V382 HydrophobicContact CD1-CG1 3.46Å; L371-V382 VanDerWaalsContact CD1-CG1 3.46Å; L371-V382 HydrophobicContact CG-CG1 4.04Å; L380-V382 HydrophobicContact CD2-CB 4.43Å; L380-V382 HydrophobicContact CD2-CG1 4.46Å; L380-V382 HydrophobicContact CG-CB 4.28Å; V382-D386 HydrophobicContact CG2-CB 3.49Å; V382-D386 VanDerWaalsContact CG2-CB 3.49Å; V382-L387 HydrophobicContact CG1-CD1 3.93Å; V382-L387 HydrophobicContact CG1-CD2 3.83Å; V382-L387 HydrophobicContact CG1-CG 3.81Å; V382-L387 HydrophobicContact CG2-CD2 4.16Å; V382-L387 HydrophobicContact CG2-CG 4.04Å
383	S	84.3	Confident	75.1	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	157	175.2	70.9	0	0	0	0	111.8	E367 Q385 D386 L387	E367-S383 WeakPolarHBondContact O-CA 3.38Å; S383-Q385 PolarHBondContact O-N 3.5Å; S383-D386 PolarHBondContact N-OD2 3.27Å; S383-D386 PolarHBondContact O-N 2.96Å; S383-D386 PolarHBondContact OG-N 2.9Å; S383-D386 PolarHBondContact OG-OD2 2.88Å; S383-L387 WeakPolarHBondContact O-CG 3.21Å; S383-L387 PolarHBondContact O-N 2.84Å; S383-L387 VanDerWaalsContact O-N 3.1Å
384	Y	83	Confident	75.7	Confident	6 Å²	6	69.7 Å²	69.7	2%	0.024	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-34	168.9	-78.1	-73.5	0	0	0	112.4	R357 Q360 L361 L365 E367 I369 L387 H388	R357-Y384 WeakPolarHBondContact CD-OH 3.21Å; R357-Y384 PolarHBondContact NH1-OH 3.46Å; R357-Y384 WeakPolarHBondContact O-CE1 3.35Å; Q360-Y384 HydrophobicContact CB-CD1 4.13Å; Q360-Y384 HydrophobicContact CB-CD2 3.81Å; Q360-Y384 HydrophobicContact CB-CE1 4.08Å; Q360-Y384 HydrophobicContact CB-CE2 3.76Å; Q360-Y384 HydrophobicContact CB-CG 3.99Å; Q360-Y384 HydrophobicContact CG-CE2 4.44Å; Q360-Y384 WeakPolarHBondContact O-CB 3.35Å; Q360-Y384 PolarHBondContact OE1-OH 3.44Å; L361-Y384 VanDerWaalsContact CA-CD1 3.45Å; L361-Y384 HydrophobicContact CB-CD1 3.69Å; L361-Y384 HydrophobicContact CB-CE1 4.09Å; L361-Y384 HydrophobicContact CD1-CD1 4.08Å; L361-Y384 HydrophobicContact CG-CD1 4.49Å; L365-Y384 CarbonylContact O-C 3.34Å; L365-Y384 WeakPolarHBondContact O-CA 3.41Å; L365-Y384 VanDerWaalsContact O-CB 3.23Å; L365-Y384 WeakPolarHBondContact O-CB 2.99Å; L365-Y384 PolarHBondContact O-N 3.46Å; E367-Y384 HydrophobicContact CB-CD2 4.17Å; E367-Y384 WeakPolarHBondContact O-CD2 3.13Å; E367-Y384 PolarHBondContact O-N 3.39Å; E367-Y384 VanDerWaalsContact O-N 3.11Å; I369-Y384 HydrophobicContact CD1-CE1 3.97Å; I369-Y384 HydrophobicContact CG2-CD2 4.23Å; I369-Y384 HydrophobicContact CG2-CE1 4.49Å; I369-Y384 HydrophobicContact CG2-CE2 3.37Å; I369-Y384 WeakPolarHBondContact CG2-OH 3.15Å; Y384-L387 PolarHBondContact O-N 2.76Å; Y384-H388 WeakPolarHBondContact O-CB 3.38Å; Y384-H388 PolarHBondContact O-N 3.33Å
385	Q	86.8	Confident	76.5	Confident	58 Å²	58	64 Å²	64	27%	0.271	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-46.9	175.1	-164.3	-175.3	33	0	0	111.7	G364 L365 S383 H388 R389	G364-Q385 VanDerWaalsContact O-CB 3.27Å; G364-Q385 WeakPolarHBondContact O-CB 3.29Å; G364-Q385 WeakPolarHBondContact O-CG 3.27Å; L365-Q385 PolarHBondContact O-N 3.35Å; S383-Q385 PolarHBondContact O-N 3.5Å; Q385-H388 PolarHBondContact O-N 2.66Å; Q385-R389 WeakPolarHBondContact O-CG 3.39Å; Q385-R389 PolarHBondContact O-N 2.73Å
386	D	81.8	Confident	76.9	Confident	64 Å²	64	61 Å²	61	34%	0.342	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-43.8	178.1	-64.1	-43.3	0	0	0	111	V382 S383 H388 R389 C390	V382-D386 HydrophobicContact CG2-CB 3.49Å; V382-D386 VanDerWaalsContact CG2-CB 3.49Å; S383-D386 PolarHBondContact N-OD2 3.27Å; S383-D386 PolarHBondContact O-N 2.96Å; S383-D386 PolarHBondContact OG-N 2.9Å; S383-D386 PolarHBondContact OG-OD2 2.88Å; D386-H388 VanDerWaalsContact C-N 3.34Å; D386-H388 PolarHBondContact O-N 2.86Å; D386-R389 PolarHBondContact O-N 3.22Å; D386-C390 PolarHBondContact O-N 3.3Å; D386-C390 PolarHBondContact O-SG 2.94Å
387	L	81.1	Confident	76.9	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-41.6	176.4	-70.3	175.5	0	0	0	112.5	L325 L361 I369 L371 V382 S383 Y384 C390 L391	L325-L387 HydrophobicContact CD2-CB 4.47Å; L325-L387 HydrophobicContact CD2-CD2 3.97Å; L325-L387 HydrophobicContact CG-CD2 4.19Å; L361-L387 HydrophobicContact CD1-CB 3.54Å; I369-L387 HydrophobicContact CD1-CD1 3.55Å; I369-L387 HydrophobicContact CG1-CD1 4.08Å; L371-L387 HydrophobicContact CD1-CD1 4.23Å; L371-L387 HydrophobicContact CD1-CD2 4.06Å; V382-L387 HydrophobicContact CG1-CD1 3.93Å; V382-L387 HydrophobicContact CG1-CD2 3.83Å; V382-L387 HydrophobicContact CG1-CG 3.81Å; V382-L387 HydrophobicContact CG2-CD2 4.16Å; V382-L387 HydrophobicContact CG2-CG 4.04Å; S383-L387 WeakPolarHBondContact O-CG 3.21Å; S383-L387 PolarHBondContact O-N 2.84Å; S383-L387 VanDerWaalsContact O-N 3.1Å; Y384-L387 PolarHBondContact O-N 2.76Å; L387-C390 PolarHBondContact O-N 3.17Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 PolarHBondContact O-N 3.02Å
388	H	83.4	Confident	76.7	Confident	44 Å²	44	51.5 Å²	51.5	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-47	176.1	-176.5	-82.9	0	0	0	111	L361 Y384 Q385 D386 C390 L391 D392	L361-H388 HydrophobicContact CD1-CB 4.31Å; L361-H388 PolarHBondContact O-CD2 3.33Å; L361-H388 VanDerWaalsContact O-CD2 3.23Å; Y384-H388 WeakPolarHBondContact O-CB 3.38Å; Y384-H388 PolarHBondContact O-N 3.33Å; Q385-H388 PolarHBondContact O-N 2.66Å; D386-H388 VanDerWaalsContact C-N 3.34Å; D386-H388 PolarHBondContact O-N 2.86Å; H388-C390 PolarHBondContact O-N 2.94Å; H388-L391 PolarHBondContact O-N 3.09Å; H388-D392 IonicContact CE1-OD2 2.62Å; H388-D392 PolarHBondContact CE1-OD2 3.27Å; H388-D392 IonicContact ND1-OD2 3.38Å; H388-D392 PolarHBondContact ND1-OD2 2.86Å; H388-D392 IonicContact NE2-OD2 3.13Å; H388-D392 PolarHBondContact O-N 3.46Å
389	R	82.8	Confident	77.1	Confident	130 Å²	130	50.3 Å²	50.3	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-45.9	175.5	-70.1	176.3	-166.8	174.4	6.8	111.8	Q385 D386 L391 D392 Q393	Q385-R389 WeakPolarHBondContact O-CG 3.39Å; Q385-R389 PolarHBondContact O-N 2.73Å; D386-R389 PolarHBondContact O-N 3.22Å; R389-L391 PolarHBondContact O-N 3.3Å; R389-D392 PolarHBondContact O-N 3.42Å; R389-Q393 WeakPolarHBondContact O-CB 3.32Å; R389-Q393 VanDerWaalsContact O-CG 3.3Å; R389-Q393 WeakPolarHBondContact O-CG 3.5Å; R389-Q393 PolarHBondContact O-N 3.47Å
390	C	78.6	Confident	77.2	Confident	41 Å²	41	54.5 Å²	54.5	28%	0.277	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-42.3	177.7	-70.9	0	0	0	0	112.2	W321 D386 L387 H388 A394	W321-C390 HydrophobicContact CD2-CB 4.42Å; W321-C390 HydrophobicContact CE3-CB 3.86Å; W321-C390 HydrophobicContact CZ3-CB 4.15Å; D386-C390 PolarHBondContact O-N 3.3Å; D386-C390 PolarHBondContact O-SG 2.94Å; L387-C390 PolarHBondContact O-N 3.17Å; H388-C390 PolarHBondContact O-N 2.94Å; C390-A394 WeakPolarHBondContact O-CB 3.44Å; C390-A394 PolarHBondContact O-N 3.43Å; C390-A394 VanDerWaalsContact O-N 3.07Å
391	L	78.9	Confident	77	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-46.8	177.3	179.6	61.8	0	0	0	111.6	L297 K300 L301 V304 L387 H388 R389 A394 F395	L297-L391 HydrophobicContact CD1-CD2 3.4Å; K300-L391 HydrophobicContact CB-CD1 4.35Å; K300-L391 HydrophobicContact CB-CD2 4.3Å; K300-L391 HydrophobicContact CB-CG 4.39Å; L301-L391 HydrophobicContact CD2-CD1 3.84Å; L301-L391 HydrophobicContact CD2-CD2 3.9Å; L301-L391 HydrophobicContact CD2-CG 4.5Å; L301-L391 HydrophobicContact CG-CD1 4.23Å; L301-L391 HydrophobicContact CG-CD2 3.9Å; V304-L391 HydrophobicContact CB-CD1 4.22Å; V304-L391 HydrophobicContact CG2-CD1 4.05Å; L387-L391 WeakPolarHBondContact O-CB 3.45Å; L387-L391 PolarHBondContact O-N 3.02Å; H388-L391 PolarHBondContact O-N 3.09Å; R389-L391 PolarHBondContact O-N 3.3Å; L391-A394 PolarHBondContact O-N 2.84Å; L391-F395 VanDerWaalsContact O-CB 3.31Å; L391-F395 WeakPolarHBondContact O-CB 3.05Å; L391-F395 PolarHBondContact O-N 2.75Å
392	D	80.6	Confident	76	Confident	60 Å²	60	50.2 Å²	50.2	32%	0.321	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-42.2	178.9	-84.3	-20.9	0	0	0	112.4	K300 H388 R389 A394 F395 G396	K300-D392 IonicContact NZ-OD1 3.43Å; K300-D392 PolarHBondContact NZ-OD1 3.43Å; H388-D392 IonicContact CE1-OD2 2.62Å; H388-D392 PolarHBondContact CE1-OD2 3.27Å; H388-D392 IonicContact ND1-OD2 3.38Å; H388-D392 PolarHBondContact ND1-OD2 2.86Å; H388-D392 IonicContact NE2-OD2 3.13Å; H388-D392 PolarHBondContact O-N 3.46Å; R389-D392 PolarHBondContact O-N 3.42Å; D392-A394 VanDerWaalsContact C-N 3.33Å; D392-A394 PolarHBondContact O-N 3.37Å; D392-F395 PolarHBondContact O-N 3.27Å; D392-G396 PolarHBondContact O-N 3.22Å
393	Q	76.5	Confident	75.3	Confident	138 Å²	138	51.9 Å²	51.9	65%	0.645	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-44.6	176.4	-76.2	177.2	-3.4	0	0	111.8	R389 G396 Q397	R389-Q393 WeakPolarHBondContact O-CB 3.32Å; R389-Q393 VanDerWaalsContact O-CG 3.3Å; R389-Q393 WeakPolarHBondContact O-CG 3.5Å; R389-Q393 PolarHBondContact O-N 3.47Å; Q393-G396 PolarHBondContact O-N 3.11Å; Q393-Q397 PolarHBondContact O-N 3.21Å
394	A	70.8	Confident	74.4	Confident	3 Å²	3	56 Å²	56	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-72.5	-38.5	180	0	0	0	0	0	113.2	V304 W321 C390 L391 D392 G396 Q397 V398	V304-A394 HydrophobicContact CG1-CB 3.73Å; V304-A394 HydrophobicContact CG2-CB 4.12Å; W321-A394 HydrophobicContact CH2-CB 3.07Å; W321-A394 HydrophobicContact CZ2-CB 3.47Å; W321-A394 VanDerWaalsContact CZ2-CB 3.47Å; W321-A394 HydrophobicContact CZ3-CB 4.13Å; C390-A394 WeakPolarHBondContact O-CB 3.44Å; C390-A394 PolarHBondContact O-N 3.43Å; C390-A394 VanDerWaalsContact O-N 3.07Å; L391-A394 PolarHBondContact O-N 2.84Å; D392-A394 VanDerWaalsContact C-N 3.33Å; D392-A394 PolarHBondContact O-N 3.37Å; A394-G396 VanDerWaalsContact C-N 3.27Å; A394-G396 PolarHBondContact O-N 2.98Å; A394-Q397 WeakPolarHBondContact O-CB 3.25Å; A394-Q397 PolarHBondContact O-N 3.24Å; A394-V398 WeakPolarHBondContact O-CB 3.25Å; A394-V398 VanDerWaalsContact O-CG2 3.27Å; A394-V398 WeakPolarHBondContact O-CG2 3.14Å; A394-V398 PolarHBondContact O-N 2.98Å
395	F	73.1	Confident	73	Confident	43 Å²	43	58.3 Å²	58.3	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-38.4	172	-170.9	-105.6	0	0	0	111	K300 T303 V304 L391 D392 V398 I399	K300-F395 HydrophobicContact CB-CD2 4.07Å; K300-F395 HydrophobicContact CB-CE2 4.36Å; K300-F395 HydrophobicContact CB-CG 4.4Å; K300-F395 HydrophobicContact CD-CD1 4.31Å; K300-F395 HydrophobicContact CD-CG 4.39Å; K300-F395 HydrophobicContact CG-CD1 4.09Å; K300-F395 HydrophobicContact CG-CD2 3.89Å; K300-F395 HydrophobicContact CG-CE1 4.12Å; K300-F395 HydrophobicContact CG-CE2 3.95Å; K300-F395 HydrophobicContact CG-CG 3.96Å; K300-F395 HydrophobicContact CG-CZ 4.07Å; T303-F395 HydrophobicContact CG2-CD2 4.08Å; T303-F395 HydrophobicContact CG2-CE2 3.81Å; V304-F395 HydrophobicContact CG2-CB 3.89Å; V304-F395 HydrophobicContact CG2-CD2 4.19Å; L391-F395 VanDerWaalsContact O-CB 3.31Å; L391-F395 WeakPolarHBondContact O-CB 3.05Å; L391-F395 PolarHBondContact O-N 2.75Å; D392-F395 PolarHBondContact O-N 3.27Å; F395-V398 WeakPolarHBondContact O-CB 3.12Å; F395-V398 PolarHBondContact O-N 3.48Å; F395-I399 HydrophobicContact CD1-CD1 3.63Å; F395-I399 HydrophobicContact CD1-CG1 4.44Å; F395-I399 HydrophobicContact CE1-CD1 3.4Å; F395-I399 HydrophobicContact CE1-CG1 4.23Å; F395-I399 HydrophobicContact CZ-CD1 4.12Å; F395-I399 WeakPolarHBondContact O-CG1 3.22Å; F395-I399 PolarHBondContact O-N 3.08Å
396	G	73.7	Confident	71.1	Confident	26 Å²	26	59.7 Å²	59.7	27%	0.268	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-35.5	172.4	0	0	0	0	0	113.7	D392 Q393 A394 R400	D392-G396 PolarHBondContact O-N 3.22Å; Q393-G396 PolarHBondContact O-N 3.11Å; A394-G396 VanDerWaalsContact C-N 3.27Å; A394-G396 PolarHBondContact O-N 2.98Å; G396-R400 WeakPolarHBondContact O-CG 3.21Å; G396-R400 PolarHBondContact O-N 3.27Å; G396-R400 VanDerWaalsContact O-N 3.12Å; G396-R400 PolarHBondContact O-NE 3.05Å
397	Q	71.5	Confident	69.6	Low	72 Å²	72	60.4 Å²	60.4	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-47.3	170.6	-179.5	-178.2	-3.4	0	0	111.2	Q393 A394 I399 R400 E401	Q393-Q397 PolarHBondContact O-N 3.21Å; A394-Q397 WeakPolarHBondContact O-CB 3.25Å; A394-Q397 PolarHBondContact O-N 3.24Å; Q397-I399 VanDerWaalsContact C-N 3.3Å; Q397-I399 PolarHBondContact O-N 2.6Å; Q397-R400 PolarHBondContact O-N 2.59Å; Q397-R400 VanDerWaalsContact O-N 3.12Å; Q397-E401 HydrophobicContact CG-CG 4.4Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.5Å; Q397-E401 PolarHBondContact NE2-OE1 3Å; Q397-E401 WeakPolarHBondContact O-CG 3.24Å; Q397-E401 PolarHBondContact O-N 2.99Å
398	V	66.3	Low	67.9	Low	6 Å²	6	66.4 Å²	66.4	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-55.4	-43.8	177.3	156.7	0	0	0	0	111.9	T303 V304 A394 F395 A402	T303-V398 HydrophobicContact CG2-CG1 3.49Å; T303-V398 VanDerWaalsContact CG2-CG1 3.49Å; V304-V398 HydrophobicContact CG2-CG2 4.48Å; A394-V398 WeakPolarHBondContact O-CB 3.25Å; A394-V398 VanDerWaalsContact O-CG2 3.27Å; A394-V398 WeakPolarHBondContact O-CG2 3.14Å; A394-V398 PolarHBondContact O-N 2.98Å; F395-V398 WeakPolarHBondContact O-CB 3.12Å; F395-V398 PolarHBondContact O-N 3.48Å; V398-A402 PolarHBondContact O-N 3.11Å; V398-A402 VanDerWaalsContact O-N 3.09Å
399	I	68.3	Low	65.8	Low	75 Å²	75	72.2 Å²	72.2	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-43.8	176.9	-70.3	166.9	0	0	0	111.1	F395 Q397 A402 A403	F395-I399 HydrophobicContact CD1-CD1 3.63Å; F395-I399 HydrophobicContact CD1-CG1 4.44Å; F395-I399 HydrophobicContact CE1-CD1 3.4Å; F395-I399 HydrophobicContact CE1-CG1 4.23Å; F395-I399 HydrophobicContact CZ-CD1 4.12Å; F395-I399 WeakPolarHBondContact O-CG1 3.22Å; F395-I399 PolarHBondContact O-N 3.08Å; Q397-I399 VanDerWaalsContact C-N 3.3Å; Q397-I399 PolarHBondContact O-N 2.6Å; I399-A402 PolarHBondContact O-N 3.32Å; I399-A403 PolarHBondContact O-N 2.77Å
400	R	71.5	Confident	64.9	Low	166 Å²	166	69.4 Å²	69.4	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-63.3	-43.6	178.3	-76	-176.9	-69.7	164.8	-1.2	112	G396 Q397 A402 A403 I404	G396-R400 WeakPolarHBondContact O-CG 3.21Å; G396-R400 PolarHBondContact O-N 3.27Å; G396-R400 VanDerWaalsContact O-N 3.12Å; G396-R400 PolarHBondContact O-NE 3.05Å; Q397-R400 PolarHBondContact O-N 2.59Å; Q397-R400 VanDerWaalsContact O-N 3.12Å; R400-A402 VanDerWaalsContact C-N 3.32Å; R400-A402 PolarHBondContact O-N 3.26Å; R400-A403 PolarHBondContact O-N 3.49Å; R400-I404 WeakPolarHBondContact O-CG1 3.38Å; R400-I404 PolarHBondContact O-N 3.26Å
401	E	65.6	Low	64.2	Low	55 Å²	55	70.8 Å²	70.8	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-41.4	176	-72.8	169.7	-176.4	0	0	111.7	R307 Q397 I404 A405	R307-E401 IonicContact NH1-OE2 2.92Å; R307-E401 PolarHBondContact NH1-OE2 3Å; Q397-E401 HydrophobicContact CG-CG 4.4Å; Q397-E401 WeakPolarHBondContact CG-OE1 3.5Å; Q397-E401 PolarHBondContact NE2-OE1 3Å; Q397-E401 WeakPolarHBondContact O-CG 3.24Å; Q397-E401 PolarHBondContact O-N 2.99Å; E401-I404 PolarHBondContact O-N 3.46Å; E401-A405 WeakPolarHBondContact O-CB 3.35Å; E401-A405 PolarHBondContact O-N 3.22Å
402	A	59.9	Low	63.4	Low	33 Å²	33	74.7 Å²	74.7	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-41.7	175.7	0	0	0	0	0	112	V398 I399 R400 A405 E406	V398-A402 PolarHBondContact O-N 3.11Å; V398-A402 VanDerWaalsContact O-N 3.09Å; I399-A402 PolarHBondContact O-N 3.32Å; R400-A402 VanDerWaalsContact C-N 3.32Å; R400-A402 PolarHBondContact O-N 3.26Å; A402-A405 PolarHBondContact O-N 3.38Å; A402-E406 WeakPolarHBondContact O-CG 3.11Å; A402-E406 PolarHBondContact O-N 2.81Å; A402-E406 VanDerWaalsContact O-N 3.09Å
403	A	62.9	Low	62.4	Low	54 Å²	54	75.6 Å²	75.6	45%	0.446	41%	0.414	S	S	.	.	H	α-helix	trans	-67.5	-34.4	178.1	0	0	0	0	0	113.3	I399 R400 E406 A407	I399-A403 PolarHBondContact O-N 2.77Å; R400-A403 PolarHBondContact O-N 3.49Å; A403-E406 PolarHBondContact O-N 2.85Å; A403-A407 PolarHBondContact O-N 3.24Å
404	I	65.1	Low	61.5	Low	93 Å²	93	71.7 Å²	71.7	48%	0.477	40%	0.4	S	S	.	.	H	α-helix	trans	-68.6	-44.8	174.5	-65.7	163.8	0	0	0	110	R400 E401 E406 A407 D408	R400-I404 WeakPolarHBondContact O-CG1 3.38Å; R400-I404 PolarHBondContact O-N 3.26Å; E401-I404 PolarHBondContact O-N 3.46Å; I404-E406 PolarHBondContact O-N 3.02Å; I404-A407 PolarHBondContact O-N 2.74Å; I404-D408 PolarHBondContact O-N 3.39Å; I404-D408 VanDerWaalsContact O-N 3.15Å
405	A	53.6	Low	60.9	Low	53 Å²	53	76.3 Å²	76.3	44%	0.438	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-26.5	177.4	0	0	0	0	0	113.2	E401 A402 I409	E401-A405 WeakPolarHBondContact O-CB 3.35Å; E401-A405 PolarHBondContact O-N 3.22Å; A402-A405 PolarHBondContact O-N 3.38Å; A405-I409 WeakPolarHBondContact O-CD1 3.25Å; A405-I409 WeakPolarHBondContact O-CG1 3.05Å
406	E	46.1	Very low	60	Low	87 Å²	87	78.6 Å²	78.6	41%	0.407	44%	0.441	S	S	.	.	H	α-helix	trans	-76.8	-22.8	171.7	-77.2	175.1	-176.9	0	0	113.3	A402 A403 I404	A402-E406 WeakPolarHBondContact O-CG 3.11Å; A402-E406 PolarHBondContact O-N 2.81Å; A402-E406 VanDerWaalsContact O-N 3.09Å; A403-E406 PolarHBondContact O-N 2.85Å; I404-E406 PolarHBondContact O-N 3.02Å
407	A	51.1	Low	59	Low	79 Å²	79	82.7 Å²	82.7	65%	0.653	46%	0.455	S	S	*	.	H	α-helix	trans	-86.7	-22.3	178	0	0	0	0	0	113.2	A403 I404	A403-A407 PolarHBondContact O-N 3.24Å; I404-A407 PolarHBondContact O-N 2.74Å
408	D	45.4	Very low	57.9	Low	135 Å²	135	83.6 Å²	83.6	72%	0.722	47%	0.465	S	S	*	.			trans	-87.6	0.1	178	-71.3	-26.9	0	0	0	113.5	I404	I404-D408 PolarHBondContact O-N 3.39Å; I404-D408 VanDerWaalsContact O-N 3.15Å
409	I	39.3	Very low	57.2	Low	167 Å²	167	90.6 Å²	90.6	86%	0.856	50%	0.504	S	S	*	.			trans	-113.2	0	175.9	-59.9	171.5	0	0	0	108.5	A405	A405-I409 WeakPolarHBondContact O-CD1 3.25Å; A405-I409 WeakPolarHBondContact O-CG1 3.05Å

Retrieved 409 of 409 residues in 2091.3 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).