A0A077Z0P9_TRITR Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A077Z0P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	31.3	Very low	248 Å²	248	155.5 Å²	155.5	100%	1.222	86%	0.859	S	S	*	*				0	141	0	-83.8	-177.5	172.5	0	0	108
2	A	33.6	Very low	31	Very low	107 Å²	107	162.1 Å²	162.1	88%	0.884	86%	0.861	S	S	*	*			trans	82.2	85.8	-177.4	0	0	0	0	0	117
3	L	27.1	Very low	31	Very low	168 Å²	168	158.2 Å²	158.2	88%	0.88	85%	0.851	S	S	*	*			trans	-72.3	145.4	151.7	-77.1	146.9	0	0	0	110
4	Q	34.2	Very low	30.7	Very low	190 Å²	190	155 Å²	155	89%	0.888	84%	0.842	S	S	*	*			trans	169.1	134.4	149.5	-95.9	164.8	13.6	0	0	105.4
5	S	33	Very low	30.6	Very low	98 Å²	98	152.9 Å²	152.9	69%	0.685	84%	0.839	S	S	*	*			cis	-174.4	115.9	-6.4	39.2	0	0	0	0	103.4	T7	S5-T7 PolarHBondContact O-N 3.19Å
6	E	29.2	Very low	30.4	Very low	197 Å²	197	149.2 Å²	149.2	92%	0.921	84%	0.836	S	S	*	*			trans	-72.1	124.3	179.2	-71.4	-179.7	154.6	0	0	110.4
7	T	33.1	Very low	30.1	Very low	124 Å²	124	151.3 Å²	151.3	76%	0.761	83%	0.834	S	S	*	*			trans	-102.8	115.7	165.9	-41.6	0	0	0	0	107.4	S5 V9	S5-T7 PolarHBondContact O-N 3.19Å; T7-V9 PolarHBondContact O-N 3.11Å; T7-V9 VanDerWaalsContact O-N 3.15Å
8	I	30.5	Very low	29.9	Very low	160 Å²	160	150.1 Å²	150.1	82%	0.821	83%	0.831	S	S	*	*			trans	-67.5	107.7	178.9	-63.5	169.7	0	0	0	108.5
9	V	31.5	Very low	29.7	Very low	127 Å²	127	149.5 Å²	149.5	77%	0.77	82%	0.816	S	S	*	*			trans	-96.5	109.7	166.5	-179.6	0	0	0	0	107.1	T7 S11	T7-V9 PolarHBondContact O-N 3.11Å; T7-V9 VanDerWaalsContact O-N 3.15Å; V9-S11 PolarHBondContact O-N 3.36Å
10	E	29.5	Very low	29.6	Very low	181 Å²	181	147.1 Å²	147.1	85%	0.846	81%	0.811	S	S	*	*			trans	-56.3	104.1	168.5	-84.2	-174.2	145.2	0	0	109.5	R12	E10-R12 PolarHBondContact O-N 2.73Å; E10-R12 VanDerWaalsContact O-N 3.09Å
11	S	29.4	Very low	29.4	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	79%	0.786	S	S	*	*			trans	-66.4	106.1	171.3	57.8	0	0	0	0	109.3	V9	V9-S11 PolarHBondContact O-N 3.36Å
12	R	27.9	Very low	29.2	Very low	235 Å²	235	133.3 Å²	133.3	89%	0.887	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-55.7	128.3	162.7	-84.9	-176.8	178.1	-170.2	0.9	108.7	E10	E10-R12 PolarHBondContact O-N 2.73Å; E10-R12 VanDerWaalsContact O-N 3.09Å
13	P	30.9	Very low	28.8	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.2	142.5	168.9	25.8	-30.6	0	0	0	108.9
14	P	27.7	Very low	28.9	Very low	113 Å²	113	131.3 Å²	131.3	73%	0.734	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-58.3	146.7	-178.9	24.4	-32.8	0	0	0	110.2	A16	P14-A16 PolarHBondContact O-N 3.1Å; P14-A16 VanDerWaalsContact O-N 3.13Å
15	P	28.5	Very low	28.6	Very low	123 Å²	123	123.2 Å²	123.2	80%	0.799	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-57.9	123.1	-178.9	23.6	-31.7	0	0	0	109.3	K17	P15-K17 PolarHBondContact O-N 3.33Å
16	A	27.2	Very low	28.3	Very low	94 Å²	94	124.1 Å²	124.1	78%	0.777	69%	0.691	S	S	*	*			trans	-53.7	112	168.1	0	0	0	0	0	107.5	P14 V18	P14-A16 PolarHBondContact O-N 3.1Å; P14-A16 VanDerWaalsContact O-N 3.13Å; A16-V18 PolarHBondContact O-N 3.42Å
17	K	25.6	Very low	28.3	Very low	185 Å²	185	116.5 Å²	116.5	80%	0.804	66%	0.656	S	S	*	*			trans	-49.5	119.5	175.6	-83.7	-176.9	175.9	-179.2	0	107.9	P15 Y19	P15-K17 PolarHBondContact O-N 3.33Å; K17-Y19 PolarHBondContact O-N 2.88Å
18	V	25.8	Very low	28.4	Very low	129 Å²	129	115.2 Å²	115.2	78%	0.782	64%	0.64	S	S	*	*			trans	-56.4	101.1	177.9	176.5	0	0	0	0	107.8	A16 S20	A16-V18 PolarHBondContact O-N 3.42Å; V18-S20 PolarHBondContact O-N 3.36Å
19	Y	27.1	Very low	28.3	Very low	140 Å²	140	112.3 Å²	112.3	55%	0.549	63%	0.632	S	S	.	*			trans	-73.7	79.9	161.8	-80.7	-78.2	0	0	0	107.3	K17 G21 R204 Y328	K17-Y19 PolarHBondContact O-N 2.88Å; Y19-G21 VanDerWaalsContact C-N 3.27Å; Y19-G21 PolarHBondContact O-N 3.21Å; Y19-R204 PolarHBondContact OH-NH1 3.09Å; Y19-Y328 PolarHBondContact O-OH 3.15Å
20	S	26.5	Very low	28.2	Very low	101 Å²	101	111.9 Å²	111.9	71%	0.706	63%	0.632	S	S	*	*			trans	-63.4	91.9	167.7	58.7	0	0	0	0	108.2	V18	V18-S20 PolarHBondContact O-N 3.36Å
21	G	26.4	Very low	28.5	Very low	28 Å²	28	111.3 Å²	111.3	29%	0.289	63%	0.634	S	S	.	*			trans	57.5	111.5	169.1	0	0	0	0	0	114.4	Y19 K23	Y19-G21 VanDerWaalsContact C-N 3.27Å; Y19-G21 PolarHBondContact O-N 3.21Å; G21-K23 VanDerWaalsContact C-N 3.26Å; G21-K23 PolarHBondContact O-N 3.28Å
22	S	27.7	Very low	28.7	Very low	78 Å²	78	113.5 Å²	113.5	55%	0.545	64%	0.637	S	S	.	*			trans	-48.6	106.2	144.7	-54.7	0	0	0	0	106.1	S24	S22-S24 PolarHBondContact O-N 3.1Å
23	K	26.3	Very low	28.7	Very low	200 Å²	200	106.8 Å²	106.8	87%	0.87	64%	0.641	S	S	*	*			trans	-55	102.9	158.7	-80	-176.7	177	177.7	0	103.2	G21 C25	G21-K23 VanDerWaalsContact C-N 3.26Å; G21-K23 PolarHBondContact O-N 3.28Å; K23-C25 PolarHBondContact O-N 3.26Å
24	S	29.3	Very low	28.6	Very low	33 Å²	33	104.4 Å²	104.4	23%	0.231	64%	0.636	C	S	.	*			trans	-51.7	134	171.7	-159.8	0	0	0	0	106.3	S22 C26 K296 E298	S22-S24 PolarHBondContact O-N 3.1Å; S24-C26 PolarHBondContact O-N 2.98Å; S24-K296 PolarHBondContact OG-NZ 3.21Å; S24-E298 WeakPolarHBondContact CB-OE1 3.41Å; S24-E298 PolarHBondContact OG-OE1 2.93Å
25	C	28.4	Very low	28.6	Very low	19 Å²	19	110.6 Å²	110.6	13%	0.128	65%	0.645	C	S	.	*			trans	-45.9	103.3	179.5	-67.6	0	0	0	0	110	K23 L27	K23-C25 PolarHBondContact O-N 3.26Å; C25-L27 HydrophobicContact CB-CD2 4.43Å; C25-L27 HydrophobicContact CB-CG 4.19Å; C25-L27 PolarHBondContact O-N 3.38Å
26	C	26	Very low	28.6	Very low	118 Å²	118	112.7 Å²	112.7	80%	0.797	65%	0.65	S	S	*	*			trans	-71.8	91.5	160.2	-61.4	0	0	0	0	105.9	S24 F28	S24-C26 PolarHBondContact O-N 2.98Å; C26-F28 PolarHBondContact O-N 3.1Å
27	L	30.2	Very low	28.8	Very low	37 Å²	37	111.7 Å²	111.7	19%	0.194	65%	0.648	C	S	.	*			trans	-71.7	108.6	170.7	-64.4	165.2	0	0	0	107	C25 I174 N253	C25-L27 HydrophobicContact CB-CD2 4.43Å; C25-L27 HydrophobicContact CB-CG 4.19Å; C25-L27 PolarHBondContact O-N 3.38Å; L27-I174 WeakPolarHBondContact CD2-O 3.23Å; L27-N253 WeakPolarHBondContact CD1-ND2 3.45Å
28	F	34.7	Very low	29.2	Very low	96 Å²	96	110.8 Å²	110.8	42%	0.421	65%	0.65	S	S	.	*	S	Bend	trans	78	147.7	167.5	-57.4	-86.1	0	0	0	120.6	C26 K172 V173 I174	C26-F28 PolarHBondContact O-N 3.1Å; F28-K172 HydrophobicContact CE1-CD 4.17Å; F28-V173 WeakPolarHBondContact CD1-O 3.46Å; F28-V173 WeakPolarHBondContact CE1-O 3.49Å; F28-I174 WeakPolarHBondContact CD2-O 3.14Å; F28-I174 HydrophobicContact CE1-CB 3.73Å; F28-I174 HydrophobicContact CE1-CG2 3.58Å; F28-I174 HydrophobicContact CE2-CB 3.82Å; F28-I174 HydrophobicContact CE2-CG2 4.35Å; F28-I174 WeakPolarHBondContact CE2-O 3.37Å; F28-I174 HydrophobicContact CZ-CB 3.15Å; F28-I174 HydrophobicContact CZ-CG2 3.26Å
29	P	28.3	Very low	30	Very low	100 Å²	100	107.6 Å²	107.6	65%	0.649	63%	0.628	S	S	*	*			trans	-72.2	171.4	171.8	34.1	-35.9	0	0	0	111.6
30	P	29.1	Very low	30.8	Very low	118 Å²	118	103 Å²	103	77%	0.766	62%	0.616	S	S	*	*			trans	-55.7	145.4	-175.9	-16.7	29.2	0	0	0	111.4	D32	P30-D32 PolarHBondContact O-N 3.16Å; P30-D32 VanDerWaalsContact O-N 3.13Å
31	L	36.2	Very low	32.2	Very low	169 Å²	169	100.4 Å²	100.4	89%	0.885	60%	0.595	S	S	*	*			trans	-60	115.7	160.1	-71.4	168.4	0	0	0	107	G33	L31-G33 PolarHBondContact O-N 3.32Å
32	D	33.1	Very low	33.3	Very low	156 Å²	156	107.3 Å²	107.3	83%	0.834	62%	0.619	S	S	*	*			trans	-52.4	127.5	162.9	-84.5	-33.7	0	0	0	108	P30 G34	P30-D32 PolarHBondContact O-N 3.16Å; P30-D32 VanDerWaalsContact O-N 3.13Å; D32-G34 PolarHBondContact O-N 3.2Å
33	G	28.1	Very low	34.6	Very low	94 Å²	94	107.2 Å²	107.2	97%	0.969	61%	0.613	S	S	*	*	S	Bend	trans	-64.1	82.6	175.8	0	0	0	0	0	110.2	L31	L31-G33 PolarHBondContact O-N 3.32Å
34	G	28.5	Very low	36.2	Very low	61 Å²	61	98.5 Å²	98.5	63%	0.629	58%	0.575	S	S	*	*			trans	-140.8	111.5	175.4	0	0	0	0	0	108.2	D32 N36	D32-G34 PolarHBondContact O-N 3.2Å; G34-N36 PolarHBondContact O-N 3.29Å; G34-N36 VanDerWaalsContact O-N 3.13Å
35	R	27.2	Very low	37.4	Very low	243 Å²	243	101.8 Å²	101.8	92%	0.917	59%	0.587	S	S	*	*	S	Bend	trans	-39	114.2	177	-66.9	167.3	175	166.7	-3.2	111.1
36	N	28.1	Very low	38.5	Very low	168 Å²	168	105.7 Å²	105.7	90%	0.898	61%	0.606	S	S	*	*			trans	158.4	102.8	146.4	-78.3	-17.8	0	0	0	110.3	G34	G34-N36 PolarHBondContact O-N 3.29Å; G34-N36 VanDerWaalsContact O-N 3.13Å
37	G	31.8	Very low	39.1	Very low	72 Å²	72	101.9 Å²	101.9	74%	0.742	59%	0.586	S	S	*	*			trans	146.3	12.8	169	0	0	0	0	0	118.7	I39	G37-I39 PolarHBondContact O-N 2.86Å
38	I	34.8	Very low	39.5	Very low	166 Å²	166	105.6 Å²	105.6	85%	0.851	62%	0.615	S	S	*	*			trans	-70.8	94.5	174	-57.5	177.5	0	0	0	108.5	S40	I38-S40 PolarHBondContact O-N 3.48Å
39	I	41.6	Very low	39.7	Very low	62 Å²	62	104.5 Å²	104.5	32%	0.318	61%	0.614	S	S	.	*			trans	-71.9	109.3	162.2	-62.4	176.7	0	0	0	106	G37 L41 N43 P305	G37-I39 PolarHBondContact O-N 2.86Å; I39-L41 PolarHBondContact O-N 2.91Å; I39-N43 HydrophobicContact CG2-CB 3.74Å; I39-P305 HydrophobicContact CD1-CB 3.89Å; I39-P305 HydrophobicContact CD1-CG 4.47Å
40	S	44.5	Very low	40.1	Very low	43 Å²	43	106.4 Å²	106.4	30%	0.301	62%	0.619	S	S	.	*			trans	-53.6	133.8	168.7	-180	0	0	0	0	108.4	I38 Q42 N43	I38-S40 PolarHBondContact O-N 3.48Å; S40-Q42 PolarHBondContact O-N 3.42Å; S40-Q42 WeakPolarHBondContact OG-CB 3.14Å; S40-Q42 WeakPolarHBondContact OG-CG 3.45Å; S40-Q42 PolarHBondContact OG-N 3.41Å; S40-Q42 PolarHBondContact OG-OE1 2.97Å; S40-Q42 VanDerWaalsContact OG-OE1 3.06Å; S40-N43 VanDerWaalsContact O-CB 3.28Å; S40-N43 WeakPolarHBondContact O-CB 3.45Å; S40-N43 PolarHBondContact O-N 2.76Å
41	L	55.2	Low	40.4	Very low	48 Å²	48	105.3 Å²	105.3	25%	0.251	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-56.4	-19.9	174.8	-71.8	159.4	0	0	0	112.4	I39 N43 L44 V257 N261	I39-L41 PolarHBondContact O-N 2.91Å; L41-N43 PolarHBondContact O-N 2.99Å; L41-L44 HydrophobicContact CD2-CD1 3.74Å; L41-L44 WeakPolarHBondContact O-CB 3.16Å; L41-L44 PolarHBondContact O-N 3.45Å; L41-L44 VanDerWaalsContact O-N 3.08Å; L41-V257 HydrophobicContact CD2-CG1 4Å; L41-N261 HydrophobicContact CD1-CB 3.36Å; L41-N261 WeakPolarHBondContact CD1-OD1 3.34Å
42	Q	51.3	Low	40.2	Very low	173 Å²	173	102.3 Å²	102.3	81%	0.808	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-57.3	-24.1	170.1	-64.9	169.5	-27.8	0	0	112.7	S40	S40-Q42 PolarHBondContact O-N 3.42Å; S40-Q42 WeakPolarHBondContact OG-CB 3.14Å; S40-Q42 WeakPolarHBondContact OG-CG 3.45Å; S40-Q42 PolarHBondContact OG-N 3.41Å; S40-Q42 PolarHBondContact OG-OE1 2.97Å; S40-Q42 VanDerWaalsContact OG-OE1 3.06Å
43	N	53.4	Low	40.2	Very low	76 Å²	76	102 Å²	102	41%	0.406	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-84.4	-5.8	178.6	-62.6	-13.8	0	0	0	113.4	I39 S40 L41 H45	I39-N43 HydrophobicContact CG2-CB 3.74Å; S40-N43 VanDerWaalsContact O-CB 3.28Å; S40-N43 WeakPolarHBondContact O-CB 3.45Å; S40-N43 PolarHBondContact O-N 2.76Å; L41-N43 PolarHBondContact O-N 2.99Å; N43-H45 VanDerWaalsContact C-N 3.27Å; N43-H45 PolarHBondContact O-CE1 3.07Å; N43-H45 PolarHBondContact O-N 2.82Å; N43-H45 PolarHBondContact O-ND1 3.31Å
44	L	60	Low	40.5	Very low	16 Å²	16	104.9 Å²	104.9	8%	0.084	60%	0.596	C	S	.	*	S	Bend	trans	-72.4	87.3	170	-73	174.4	0	0	0	108.5	L41 L46 L270 L302 R307	L41-L44 HydrophobicContact CD2-CD1 3.74Å; L41-L44 WeakPolarHBondContact O-CB 3.16Å; L41-L44 PolarHBondContact O-N 3.45Å; L41-L44 VanDerWaalsContact O-N 3.08Å; L44-L46 PolarHBondContact O-N 3.24Å; L44-L270 HydrophobicContact CD1-CD1 4.49Å; L44-L270 HydrophobicContact CD1-CD2 3.87Å; L44-L302 HydrophobicContact CD2-CD1 4.46Å; L44-R307 WeakPolarHBondContact CD2-O 3.31Å
45	H	55.5	Low	40.7	Very low	102 Å²	102	108.8 Å²	108.8	47%	0.472	60%	0.598	S	S	.	*	B	Isolated β-bridge	trans	-58.5	132.4	-174.5	-70.4	75.3	0	0	0	111.4	N43 G47 K273 S308	N43-H45 VanDerWaalsContact C-N 3.27Å; N43-H45 PolarHBondContact O-CE1 3.07Å; N43-H45 PolarHBondContact O-N 2.82Å; N43-H45 PolarHBondContact O-ND1 3.31Å; H45-G47 PolarHBondContact O-N 3.11Å; H45-K273 PolarHBondContact O-NZ 3.19Å; H45-S308 PolarHBondContact O-OG 3.14Å; H45-S308 VanDerWaalsContact O-OG 3.05Å
46	L	51.7	Low	41.1	Very low	102 Å²	102	102.3 Å²	102.3	53%	0.534	59%	0.588	S	S	.	*			trans	-75.6	-2.1	173.4	-71.9	168.7	0	0	0	113	L44 P269	L44-L46 PolarHBondContact O-N 3.24Å; L46-P269 HydrophobicContact CD2-CB 4.37Å
47	G	38.4	Very low	41.3	Very low	37 Å²	37	100 Å²	100	38%	0.381	58%	0.581	S	S	.	*	S	Bend	trans	-62.8	152.5	-178.3	0	0	0	0	0	114.3	H45 D49 K273	H45-G47 PolarHBondContact O-N 3.11Å; G47-D49 PolarHBondContact O-N 3.35Å; G47-K273 PolarHBondContact O-NZ 2.79Å
48	S	37.5	Very low	41.4	Very low	115 Å²	115	102 Å²	102	80%	0.804	58%	0.582	S	S	*	*			trans	-66.8	117.1	175.7	53	0	0	0	0	110.8	N50	S48-N50 PolarHBondContact O-N 3.09Å
49	D	39.9	Very low	41.5	Very low	73 Å²	73	100 Å²	100	39%	0.39	58%	0.582	S	S	.	*			trans	-92.7	80.9	171.6	-83	-42.3	0	0	0	109.3	G47 R307	G47-D49 PolarHBondContact O-N 3.35Å; D49-R307 IonicContact OD1-CZ 3.67Å; D49-R307 VanDerWaalsContact OD1-CZ 3.28Å; D49-R307 IonicContact OD1-NE 3.13Å; D49-R307 PolarHBondContact OD1-NE 3.07Å; D49-R307 VanDerWaalsContact OD1-NE 3.16Å; D49-R307 IonicContact OD1-NH2 3.39Å; D49-R307 PolarHBondContact OD1-NH2 3.38Å; D49-R307 IonicContact OD2-CZ 3.03Å; D49-R307 IonicContact OD2-NE 3.36Å; D49-R307 PolarHBondContact OD2-NE 3.12Å; D49-R307 VanDerWaalsContact OD2-NE 3.14Å; D49-R307 IonicContact OD2-NH2 2.81Å
50	N	35.9	Very low	40.9	Very low	140 Å²	140	108 Å²	108	75%	0.749	61%	0.609	S	S	*	*			trans	-124.4	82.6	154.4	-89	-4	0	0	0	106.3	S48	S48-N50 PolarHBondContact O-N 3.09Å
51	S	35.5	Very low	40.3	Very low	95 Å²	95	113.3 Å²	113.3	66%	0.664	63%	0.634	S	S	*	*			trans	-128.4	115.1	165.3	-165.6	0	0	0	0	108	N53	S51-N53 PolarHBondContact O-N 3.5Å
52	P	31.6	Very low	39.3	Very low	106 Å²	106	115.9 Å²	115.9	69%	0.688	66%	0.655	S	S	*	*			trans	-83.3	89.1	178.7	32.5	-28.2	0	0	0	107.8
53	N	33.7	Very low	38.2	Very low	149 Å²	149	117.1 Å²	117.1	80%	0.797	66%	0.661	S	S	*	*			trans	-135.7	23.8	174.6	-114.9	-0.5	0	0	0	114.5	S51	S51-N53 PolarHBondContact O-N 3.5Å
54	D	34.1	Very low	37.3	Very low	156 Å²	156	120.6 Å²	120.6	83%	0.834	68%	0.675	S	S	*	*	S	Bend	trans	-136.1	37.8	173.8	-108.8	-25.5	0	0	0	112
55	Q	33.5	Very low	35.9	Very low	142 Å²	142	128 Å²	128	66%	0.664	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-101.1	132	171.4	-74.1	-163.2	-9.6	0	0	111.4
56	P	35.3	Very low	34.9	Very low	108 Å²	108	134 Å²	134	70%	0.701	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-68.5	149.1	156.6	31.4	-28.9	0	0	0	108.6
57	P	32.4	Very low	34.1	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-65.5	147.3	-175.6	28.7	-33.4	0	0	0	110.5	S59	P57-S59 PolarHBondContact O-N 2.83Å
58	P	32.9	Very low	34	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-72.1	120.4	172.5	30.1	-30.1	0	0	0	108.6	R60	P58-R60 PolarHBondContact O-N 3.16Å
59	S	37.8	Very low	33.9	Very low	124 Å²	124	138.7 Å²	138.7	87%	0.867	75%	0.749	S	S	*	*			trans	-68.9	94.5	166.1	57.6	0	0	0	0	109.3	P57	P57-S59 PolarHBondContact O-N 2.83Å
60	R	28.3	Very low	33.6	Very low	231 Å²	231	142.1 Å²	142.1	87%	0.872	77%	0.767	S	S	*	*			trans	-79.8	117.6	150.9	-89	179.9	171.4	179.4	-2.6	106.5	P58	P58-R60 PolarHBondContact O-N 3.16Å
61	N	33.3	Very low	33.6	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	77%	0.77	S	S	*	*			trans	-161.6	122.7	142.1	-104.1	-7.5	0	0	0	113.1
62	S	33.3	Very low	33.5	Very low	101 Å²	101	145 Å²	145	71%	0.706	77%	0.769	S	S	*	*			trans	57.2	97.6	141.4	47.9	0	0	0	0	119.4
63	Q	28.1	Very low	33.7	Very low	199 Å²	199	145.8 Å²	145.8	93%	0.93	77%	0.768	S	S	*	*			trans	-57.1	125.2	140.3	-79.7	159.5	-65	0	0	109.8
64	E	34	Very low	33.8	Very low	149 Å²	149	146.5 Å²	146.5	70%	0.696	77%	0.766	S	S	*	*			trans	-147	123.8	149	-91.7	-156.2	131	0	0	112.3
65	K	32	Very low	33.8	Very low	171 Å²	171	143.5 Å²	143.5	74%	0.743	76%	0.764	S	S	*	*			trans	76.1	114.7	135.7	-72.6	172.7	173.9	150	0	122
66	R	33.3	Very low	33.9	Very low	230 Å²	230	144.6 Å²	144.6	87%	0.868	77%	0.774	S	S	*	*				-174.6	132.1	126	-92.4	174.7	-164	-176.4	3.2	105.3
67	D	34.8	Very low	33.7	Very low	134 Å²	134	143 Å²	143	72%	0.717	77%	0.77	S	S	*	*			cis	-163.5	168.3	7.6	-81.5	-47	0	0	0	108.4
68	V	36	Very low	33.9	Very low	138 Å²	138	144.8 Å²	144.8	84%	0.836	78%	0.779	S	S	*	*			trans	92.6	102.8	152.1	-162.1	0	0	0	0	120.6
69	A	35.7	Very low	33.7	Very low	80 Å²	80	148.3 Å²	148.3	66%	0.661	78%	0.783	S	S	*	*			trans	80.4	107.1	134.2	0	0	0	0	0	123.3
70	N	34.5	Very low	33.6	Very low	144 Å²	144	149.6 Å²	149.6	77%	0.77	79%	0.785	S	S	*	*				78.4	120.2	119.7	-81.7	-13.5	0	0	0	123.1
71	K	35.4	Very low	33.7	Very low	188 Å²	188	145.2 Å²	145.2	82%	0.817	78%	0.783	S	S	*	*			trans	79.2	137.3	144.5	-66.1	-176.2	176.4	-175	0	116.2
72	V	34.1	Very low	33.6	Very low	107 Å²	107	140.8 Å²	140.8	65%	0.648	77%	0.774	S	S	*	*			cis	-174.2	148	10.2	126.4	0	0	0	0	108.4
73	N	36.3	Very low	33.7	Very low	124 Å²	124	143.6 Å²	143.6	66%	0.663	78%	0.781	S	S	*	*			trans	64.2	149.3	154.5	-68.5	15.8	0	0	0	121.5
74	E	34	Very low	33.7	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	78%	0.777	S	S	*	*			cis	-174.9	153.5	-12.9	-112.9	173.9	152	0	0	107
75	A	35.5	Very low	33.9	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	79%	0.785	S	S	*	*			trans	57.4	144.3	151.3	0	0	0	0	0	119.5
76	D	34.9	Very low	33.9	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	79%	0.787	S	S	*	*			cis	-161.5	162.1	35.2	-155.2	-3	0	0	0	111.8
77	A	31.5	Very low	33.7	Very low	76 Å²	76	130.7 Å²	130.7	63%	0.628	79%	0.786	S	S	*	*			trans	-102.5	152.6	-171.9	0	0	0	0	0	112.8
78	T	35.9	Very low	33.8	Very low	154 Å²	154	129 Å²	129	95%	0.945	79%	0.79	S	S	*	*			trans	-165	137.8	133.1	-3.1	0	0	0	0	114.2
79	K	30.1	Very low	33.6	Very low	190 Å²	190	126 Å²	126	83%	0.826	79%	0.788	S	S	*	*			trans	-75.9	150.3	176.3	-67.4	169.3	169.8	176	0	112.4
80	V	35	Very low	33.4	Very low	150 Å²	150	131.3 Å²	131.3	91%	0.909	80%	0.799	S	S	*	*			trans	-148.1	138.4	133.2	-174.6	0	0	0	0	110.2
81	V	30.4	Very low	33.3	Very low	139 Å²	139	135.9 Å²	135.9	84%	0.842	81%	0.806	S	S	*	*			trans	-90.4	148.3	-176.5	171.1	0	0	0	0	110.5
82	G	30.9	Very low	33.2	Very low	61 Å²	61	131.6 Å²	131.6	63%	0.629	80%	0.8	S	S	*	*			trans	161.6	108.1	159.6	0	0	0	0	0	116.3
83	D	35.3	Very low	33.3	Very low	161 Å²	161	133.1 Å²	133.1	86%	0.861	81%	0.809	S	S	*	*			trans	88.9	110.4	146.6	-56.5	-14.7	0	0	0	122.1
84	T	29.1	Very low	33.3	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	82%	0.818	S	S	*	*			trans	-47.1	126.9	162.4	33.4	0	0	0	0	115
85	V	37	Very low	33.8	Very low	145 Å²	145	135.9 Å²	135.9	88%	0.879	82%	0.818	S	S	*	*			trans	-137	119.9	144	-171.7	0	0	0	0	108.3
86	A	31.5	Very low	34.3	Very low	93 Å²	93	134.6 Å²	134.6	77%	0.769	81%	0.807	S	S	*	*			trans	-73.6	159.8	176.3	0	0	0	0	0	112
87	A	30.7	Very low	35.5	Very low	103 Å²	103	132.2 Å²	132.2	85%	0.851	79%	0.794	S	S	*	*			trans	89.6	92.8	159.8	0	0	0	0	0	118.1
88	A	35.6	Very low	37.9	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	79%	0.79	S	S	*	*				179.6	91.4	118.4	0	0	0	0	0	108.9	E90	A88-E90 PolarHBondContact O-N 3.23Å
89	G	32.3	Very low	40.6	Very low	77 Å²	77	131 Å²	131	79%	0.794	76%	0.758	S	S	*	*			trans	-64.1	118.6	175.6	0	0	0	0	0	111.6	R91	G89-R91 PolarHBondContact O-N 3.31Å; G89-R91 VanDerWaalsContact O-N 3.12Å
90	E	31.9	Very low	43.6	Very low	191 Å²	191	122.8 Å²	122.8	89%	0.893	72%	0.723	S	S	*	*			trans	-59.3	105.6	167	-68.4	175.4	150	0	0	109.6	A88 S92	A88-E90 PolarHBondContact O-N 3.23Å; E90-S92 PolarHBondContact O-N 2.87Å; E90-S92 VanDerWaalsContact O-N 3.08Å
91	R	31.3	Very low	46.4	Very low	239 Å²	239	122.7 Å²	122.7	90%	0.902	71%	0.711	S	S	*	*			trans	-73.7	94.9	168.6	-72.9	-177	-170.9	177.5	2.7	108.9	G89 T93	G89-R91 PolarHBondContact O-N 3.31Å; G89-R91 VanDerWaalsContact O-N 3.12Å; R91-T93 PolarHBondContact O-N 3.32Å
92	S	34.5	Very low	49.5	Very low	99 Å²	99	116.8 Å²	116.8	69%	0.692	68%	0.675	S	S	*	*			trans	-60.9	121.8	159.9	53	0	0	0	0	109.1	E90 Q94	E90-S92 PolarHBondContact O-N 2.87Å; E90-S92 VanDerWaalsContact O-N 3.08Å; S92-Q94 PolarHBondContact O-N 2.84Å; S92-Q94 VanDerWaalsContact O-N 3.07Å
93	T	35.4	Very low	52.5	Low	139 Å²	139	119.4 Å²	119.4	85%	0.853	68%	0.675	S	S	*	*			trans	-77.1	88.1	-179.4	22.7	0	0	0	0	109.9	R91 Q95	R91-T93 PolarHBondContact O-N 3.32Å; T93-Q95 VanDerWaalsContact C-N 3.33Å; T93-Q95 PolarHBondContact O-N 3.06Å
94	Q	36.2	Very low	55.2	Low	181 Å²	181	115.7 Å²	115.7	85%	0.846	65%	0.652	S	S	*	*			trans	-73.1	88.8	162.3	-72.4	-177.1	8.3	0	0	109	S92 A96	S92-Q94 PolarHBondContact O-N 2.84Å; S92-Q94 VanDerWaalsContact O-N 3.07Å; Q94-A96 VanDerWaalsContact C-N 3.34Å; Q94-A96 PolarHBondContact O-N 3.26Å; Q94-A96 VanDerWaalsContact O-N 3.08Å
95	Q	43.9	Very low	58.2	Low	164 Å²	164	109.2 Å²	109.2	77%	0.766	61%	0.612	S	S	*	*			trans	-76.3	91	167.5	-162.8	166.7	16.4	0	0	107.4	T93 D97	T93-Q95 VanDerWaalsContact C-N 3.33Å; T93-Q95 PolarHBondContact O-N 3.06Å; Q95-D97 PolarHBondContact O-N 3.1Å
96	A	47.4	Very low	60.9	Low	66 Å²	66	104.1 Å²	104.1	55%	0.545	58%	0.58	S	S	.	*			trans	-46.5	128.7	178.9	0	0	0	0	0	111.3	Q94 R98	Q94-A96 VanDerWaalsContact C-N 3.34Å; Q94-A96 PolarHBondContact O-N 3.26Å; Q94-A96 VanDerWaalsContact O-N 3.08Å; A96-R98 PolarHBondContact O-N 2.74Å
97	D	60.4	Low	63.8	Low	114 Å²	114	105 Å²	105	61%	0.61	58%	0.576	S	S	*	*			trans	-58.9	101.1	-178.6	-96.5	-30.2	0	0	0	110.9	Q95 F99	Q95-D97 PolarHBondContact O-N 3.1Å; D97-F99 VanDerWaalsContact C-N 3.26Å; D97-F99 HydrophobicContact CB-CD1 3.75Å; D97-F99 HydrophobicContact CB-CE1 3.6Å; D97-F99 PolarHBondContact O-N 2.98Å
98	R	80.7	Confident	66.7	Low	139 Å²	139	104 Å²	104	53%	0.525	56%	0.556	S	S	.	*			trans	-78	64.3	-178.2	-66	-174.1	178.8	167.6	2.3	112.6	A96 Y128 V542	A96-R98 PolarHBondContact O-N 2.74Å; R98-Y128 WeakPolarHBondContact O-CD1 3.44Å; R98-V542 HydrophobicContact CG-CG2 4.14Å
99	F	92.2	Very high	69.4	Low	65 Å²	65	101.1 Å²	101.1	29%	0.285	52%	0.524	S	S	.	.			trans	-127	158.1	168.9	70.5	-93.7	0	0	0	111.1	D97 Q126 I127 Y128	D97-F99 VanDerWaalsContact C-N 3.26Å; D97-F99 HydrophobicContact CB-CD1 3.75Å; D97-F99 HydrophobicContact CB-CE1 3.6Å; D97-F99 PolarHBondContact O-N 2.98Å; F99-Q126 HydrophobicContact CB-CB 4.16Å; F99-Q126 HydrophobicContact CD1-CB 4.46Å; F99-Q126 HydrophobicContact CD1-CG 4.24Å; F99-Q126 HydrophobicContact CD2-CB 3.94Å; F99-Q126 HydrophobicContact CD2-CG 3.88Å; F99-Q126 HydrophobicContact CE1-CG 4.28Å; F99-Q126 HydrophobicContact CE2-CB 4.49Å; F99-Q126 HydrophobicContact CE2-CG 3.93Å; F99-Q126 HydrophobicContact CG-CB 3.94Å; F99-Q126 HydrophobicContact CG-CG 4.06Å; F99-Q126 HydrophobicContact CZ-CG 4.14Å; F99-I127 WeakPolarHBondContact CA-O 3.38Å; F99-Y128 HydrophobicContact CB-CD1 3.9Å; F99-Y128 HydrophobicContact CB-CE1 3.7Å; F99-Y128 HydrophobicContact CB-CE2 4.42Å; F99-Y128 HydrophobicContact CB-CG 4.34Å; F99-Y128 HydrophobicContact CD1-CE1 4.42Å
100	I	93.1	Very high	72.1	Confident	19 Å²	19	100 Å²	100	10%	0.097	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-112.8	154.4	168.6	64.4	175.8	0	0	0	110.2	A105 Y109 I127 L540	I100-A105 HydrophobicContact CD1-CB 3.54Å; I100-A105 HydrophobicContact CG1-CB 4Å; I100-Y109 HydrophobicContact CD1-CD2 4.36Å; I100-Y109 HydrophobicContact CD1-CE2 3.99Å; I100-I127 HydrophobicContact CG1-CB 3.87Å; I100-I127 HydrophobicContact CG1-CG2 4.13Å; I100-I127 PolarHBondContact N-O 2.93Å; I100-I127 WeakPolarHBondContact O-CB 3.45Å; I100-I127 PolarHBondContact O-N 2.97Å; I100-L540 HydrophobicContact CD1-CD2 4.12Å
101	K	94.6	Very high	75	Confident	147 Å²	147	96.3 Å²	96.3	64%	0.639	50%	0.5	S	S	*	.			trans	-74.5	151.8	174.6	-66.4	-176.2	179.1	-179.9	0	110.7	D103 H104 A105	K101-D103 PolarHBondContact O-N 3.06Å; K101-H104 WeakPolarHBondContact O-CB 3.41Å; K101-H104 PolarHBondContact O-N 2.84Å; K101-H104 VanDerWaalsContact O-N 3.1Å; K101-A105 PolarHBondContact O-N 3.02Å
102	P	94.6	Very high	77.8	Confident	16 Å²	16	89.3 Å²	89.3	10%	0.104	48%	0.476	C	S	.	.	H	α-helix	trans	-51.1	-47.7	179.1	-31.7	37.9	0	0	0	114.5	H104 A105 I106 Y124 I127	P102-H104 PolarHBondContact O-N 3.46Å; P102-A105 WeakPolarHBondContact O-CA 3.45Å; P102-A105 WeakPolarHBondContact O-CB 3.46Å; P102-A105 PolarHBondContact O-N 3.3Å; P102-I106 WeakPolarHBondContact O-CG1 3.37Å; P102-I106 PolarHBondContact O-N 3.49Å; P102-Y124 WeakPolarHBondContact CG-O 3.43Å; P102-I127 HydrophobicContact CG-CD1 4.49Å; P102-I127 HydrophobicContact CG-CG1 4.37Å
103	D	93.8	Very high	80.5	Confident	116 Å²	116	85.2 Å²	85.2	62%	0.62	45%	0.446	S	S	*	.	H	α-helix	trans	-60.5	-37.4	-178.6	-57.2	-28.8	0	0	0	111.9	K101 T107	K101-D103 PolarHBondContact O-N 3.06Å; D103-T107 WeakPolarHBondContact O-CB 3.45Å; D103-T107 PolarHBondContact O-N 2.91Å; D103-T107 PolarHBondContact O-OG1 3.11Å
104	H	93	Very high	83.2	Confident	82 Å²	82	79.6 Å²	79.6	38%	0.38	41%	0.412	S	S	.	.	H	α-helix	trans	-71.5	-40.3	176.3	-162.5	72.1	0	0	0	111.4	K101 P102 T107 L108	K101-H104 WeakPolarHBondContact O-CB 3.41Å; K101-H104 PolarHBondContact O-N 2.84Å; K101-H104 VanDerWaalsContact O-N 3.1Å; P102-H104 PolarHBondContact O-N 3.46Å; H104-T107 PolarHBondContact O-N 3.2Å; H104-L108 VanDerWaalsContact CD2-CD1 3.42Å; H104-L108 WeakPolarHBondContact CD2-CD1 3.47Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.21Å; H104-L108 WeakPolarHBondContact O-CB 3.46Å; H104-L108 WeakPolarHBondContact O-CG 3.28Å; H104-L108 PolarHBondContact O-N 2.71Å
105	A	92.9	Very high	85.8	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-43.4	174.7	0	0	0	0	0	112	I100 K101 P102 Y109 I121 I127	I100-A105 HydrophobicContact CD1-CB 3.54Å; I100-A105 HydrophobicContact CG1-CB 4Å; K101-A105 PolarHBondContact O-N 3.02Å; P102-A105 WeakPolarHBondContact O-CA 3.45Å; P102-A105 WeakPolarHBondContact O-CB 3.46Å; P102-A105 PolarHBondContact O-N 3.3Å; A105-Y109 WeakPolarHBondContact O-CA 3.41Å; A105-Y109 VanDerWaalsContact O-CB 3.3Å; A105-Y109 WeakPolarHBondContact O-CB 3.5Å; A105-Y109 WeakPolarHBondContact O-CD2 3.37Å; A105-Y109 PolarHBondContact O-N 3.32Å; A105-I121 HydrophobicContact CB-CD1 3.66Å; A105-I127 HydrophobicContact CB-CB 4.44Å; A105-I127 HydrophobicContact CB-CG1 4.21Å; A105-I127 HydrophobicContact CB-CG2 4.17Å
106	I	93.1	Very high	88.1	Confident	39 Å²	39	69.7 Å²	69.7	20%	0.2	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-48.1	174.7	-66.3	166.3	0	0	0	109.6	P102 L108 Y109 S110 I121 I122	P102-I106 WeakPolarHBondContact O-CG1 3.37Å; P102-I106 PolarHBondContact O-N 3.49Å; I106-L108 PolarHBondContact O-N 3.26Å; I106-Y109 PolarHBondContact O-N 3.08Å; I106-S110 VanDerWaalsContact O-CA 3.31Å; I106-S110 WeakPolarHBondContact O-CA 3.4Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 2.89Å; I106-I121 HydrophobicContact CD1-CG2 3.59Å; I106-I121 HydrophobicContact CG1-CG2 3.54Å; I106-I122 HydrophobicContact CD1-CG2 3.99Å
107	T	93.1	Very high	90.3	Very high	112 Å²	112	66.6 Å²	66.6	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-60.1	-45.4	-179.1	-58	0	0	0	0	112	D103 H104	D103-T107 WeakPolarHBondContact O-CB 3.45Å; D103-T107 PolarHBondContact O-N 2.91Å; D103-T107 PolarHBondContact O-OG1 3.11Å; H104-T107 PolarHBondContact O-N 3.2Å
108	L	91.5	Very high	91.9	Very high	80 Å²	80	64.6 Å²	64.6	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-77.1	-33.6	-177.6	-70.6	-176.9	0	0	0	113.7	H104 I106	H104-L108 VanDerWaalsContact CD2-CD1 3.42Å; H104-L108 WeakPolarHBondContact CD2-CD1 3.47Å; H104-L108 WeakPolarHBondContact NE2-CD1 3.21Å; H104-L108 WeakPolarHBondContact O-CB 3.46Å; H104-L108 WeakPolarHBondContact O-CG 3.28Å; H104-L108 PolarHBondContact O-N 2.71Å; I106-L108 PolarHBondContact O-N 3.26Å
109	Y	91.5	Very high	92.4	Very high	39 Å²	39	61.1 Å²	61.1	15%	0.153	33%	0.331	C	S	.	.	H	α-helix	trans	-124.7	15.3	-166.4	-57.4	-71.2	0	0	0	114	I100 A105 I106 S111 K112 L113 I130 L540	I100-Y109 HydrophobicContact CD1-CD2 4.36Å; I100-Y109 HydrophobicContact CD1-CE2 3.99Å; A105-Y109 WeakPolarHBondContact O-CA 3.41Å; A105-Y109 VanDerWaalsContact O-CB 3.3Å; A105-Y109 WeakPolarHBondContact O-CB 3.5Å; A105-Y109 WeakPolarHBondContact O-CD2 3.37Å; A105-Y109 PolarHBondContact O-N 3.32Å; I106-Y109 PolarHBondContact O-N 3.08Å; Y109-S111 PolarHBondContact O-N 3.44Å; Y109-S111 VanDerWaalsContact O-N 3.11Å; Y109-K112 HydrophobicContact CD1-CD 3.93Å; Y109-K112 CarbonylContact O-C 3.5Å; Y109-K112 WeakPolarHBondContact O-CA 3.46Å; Y109-K112 WeakPolarHBondContact O-CB 3.39Å; Y109-K112 PolarHBondContact O-N 2.76Å; Y109-L113 WeakPolarHBondContact O-CG 3.5Å; Y109-L113 PolarHBondContact O-N 2.97Å; Y109-I130 VanDerWaalsContact CB-CD1 3.46Å; Y109-I130 HydrophobicContact CD1-CD1 3.56Å; Y109-I130 HydrophobicContact CD2-CD1 3.63Å; Y109-I130 HydrophobicContact CE1-CD1 4.17Å; Y109-I130 HydrophobicContact CE2-CD1 4.24Å; Y109-I130 HydrophobicContact CG-CD1 3.25Å; Y109-L540 HydrophobicContact CE2-CD2 3.71Å; Y109-L540 WeakPolarHBondContact OH-CD2 3.42Å
110	S	89.9	Confident	92.5	Very high	52 Å²	52	58.7 Å²	58.7	36%	0.364	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-47.6	-44.2	-179.7	-179.8	0	0	0	0	112.9	I106 K112 L113 Q118	I106-S110 VanDerWaalsContact O-CA 3.31Å; I106-S110 WeakPolarHBondContact O-CA 3.4Å; I106-S110 WeakPolarHBondContact O-CB 3.3Å; I106-S110 PolarHBondContact O-N 2.89Å; S110-K112 PolarHBondContact O-N 2.72Å; S110-L113 PolarHBondContact O-N 3.48Å; S110-Q118 PolarHBondContact O-NE2 2.99Å
111	S	91.1	Very high	92.6	Very high	115 Å²	115	57.8 Å²	57.8	80%	0.804	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16	179.6	59.8	0	0	0	0	114.8	Y109	Y109-S111 PolarHBondContact O-N 3.44Å; Y109-S111 VanDerWaalsContact O-N 3.11Å
112	K	91.4	Very high	92.7	Very high	92 Å²	92	55.3 Å²	55.3	40%	0.4	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-104.3	-11.8	-179.4	-71.3	165.3	147.9	-166.2	0	112.7	Y109 S110 D132 K136	Y109-K112 HydrophobicContact CD1-CD 3.93Å; Y109-K112 CarbonylContact O-C 3.5Å; Y109-K112 WeakPolarHBondContact O-CA 3.46Å; Y109-K112 WeakPolarHBondContact O-CB 3.39Å; Y109-K112 PolarHBondContact O-N 2.76Å; S110-K112 PolarHBondContact O-N 2.72Å; K112-D132 HydrophobicContact CB-CB 4.33Å; K112-D132 HydrophobicContact CD-CB 3.81Å; K112-D132 HydrophobicContact CG-CB 4.41Å; K112-D132 IonicContact NZ-OD2 3.84Å; K112-D132 PolarHBondContact NZ-OD2 3.12Å; K112-K136 WeakPolarHBondContact O-CE 3.15Å
113	L	91.5	Very high	92.7	Very high	12 Å²	12	61.1 Å²	61.1	6%	0.063	33%	0.334	C	S	.	.	S	Bend	trans	-94.8	139.6	175.4	-63.2	172.8	0	0	0	110.1	Y109 S110 E117 Q118 I121 I130	Y109-L113 WeakPolarHBondContact O-CG 3.5Å; Y109-L113 PolarHBondContact O-N 2.97Å; S110-L113 PolarHBondContact O-N 3.48Å; L113-E117 WeakPolarHBondContact CA-OE2 3.48Å; L113-E117 HydrophobicContact CB-CB 4.16Å; L113-E117 HydrophobicContact CD2-CB 4.17Å; L113-Q118 HydrophobicContact CB-CG 3.91Å; L113-Q118 HydrophobicContact CD1-CG 4.45Å; L113-I121 HydrophobicContact CD1-CD1 4.09Å; L113-I130 HydrophobicContact CD2-CB 4.33Å
114	T	91.9	Very high	92.8	Very high	22 Å²	22	57.7 Å²	57.7	14%	0.135	31%	0.313	C	S	.	.			trans	-68	160.4	168.4	61.9	0	0	0	0	110.9	Y116 E117 Q118 K136	T114-Y116 PolarHBondContact O-N 2.73Å; T114-E117 PolarHBondContact N-OE2 3Å; T114-E117 PolarHBondContact O-N 3.26Å; T114-E117 VanDerWaalsContact O-N 3.1Å; T114-E117 WeakPolarHBondContact OG1-CB 3.48Å; T114-E117 VanDerWaalsContact OG1-CD 3.32Å; T114-E117 WeakPolarHBondContact OG1-CG 3.22Å; T114-E117 PolarHBondContact OG1-N 3.07Å; T114-E117 VanDerWaalsContact OG1-N 3.16Å; T114-E117 PolarHBondContact OG1-OE2 3.42Å; T114-Q118 WeakPolarHBondContact O-CG 3.25Å; T114-Q118 PolarHBondContact O-N 2.93Å; T114-K136 HydrophobicContact CG2-CB 3.96Å; T114-K136 HydrophobicContact CG2-CD 4.2Å
115	S	90.1	Very high	93	Very high	84 Å²	84	58.6 Å²	58.6	59%	0.587	33%	0.325	S	S	*	.	H	α-helix	trans	-56	-41.1	174.5	48.6	0	0	0	0	112	Q118 S119	S115-Q118 PolarHBondContact O-N 3.27Å; S115-S119 PolarHBondContact O-N 3Å
116	Y	92.6	Very high	93.1	Very high	52 Å²	52	61.9 Å²	61.9	20%	0.204	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-49.1	174.4	-170.4	-84.2	0	0	0	111.1	T114 Q118 S119 E120 A139 Y147 F149 R240	T114-Y116 PolarHBondContact O-N 2.73Å; Y116-Q118 VanDerWaalsContact C-N 3.33Å; Y116-Q118 PolarHBondContact O-N 3.44Å; Y116-S119 PolarHBondContact O-N 2.96Å; Y116-S119 VanDerWaalsContact O-N 3.1Å; Y116-S119 PolarHBondContact O-OG 2.85Å; Y116-E120 HydrophobicContact CD1-CB 4.18Å; Y116-E120 HydrophobicContact CE1-CB 4.08Å; Y116-E120 HydrophobicContact CE1-CG 4.32Å; Y116-E120 WeakPolarHBondContact O-CB 3.37Å; Y116-E120 PolarHBondContact O-N 2.89Å; Y116-A139 HydrophobicContact CD2-CB 4.21Å; Y116-A139 HydrophobicContact CG-CB 4.26Å; Y116-Y147 HydrophobicContact CE2-CD2 4Å; Y116-Y147 HydrophobicContact CE2-CE2 4.49Å; Y116-Y147 HydrophobicContact CE2-CG 4.04Å; Y116-F149 AromaticContact CD1-CE2 3.66Å; Y116-F149 HydrophobicContact CD1-CE2 3.66Å; Y116-F149 AromaticContact CD1-CZ 3.72Å; Y116-F149 HydrophobicContact CD1-CZ 3.72Å; Y116-F149 HydrophobicContact CD2-CE2 4.04Å; Y116-F149 AromaticContact CE1-CE2 3.58Å; Y116-F149 HydrophobicContact CE1-CE2 3.58Å; Y116-F149 HydrophobicContact CE1-CZ 4.02Å; Y116-F149 AromaticContact CE2-CE2 3.95Å; Y116-F149 HydrophobicContact CE2-CE2 3.95Å; Y116-F149 AromaticContact CG-CE2 3.9Å; Y116-F149 HydrophobicContact CG-CE2 3.9Å; Y116-F149 HydrophobicContact CG-CZ 4.05Å; Y116-F149 AromaticContact CZ-CE2 3.74Å; Y116-R240 HydrophobicContact CE1-CG 4.34Å
117	E	94.2	Very high	93.3	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-35.7	179.3	-76	165.8	150.8	0	0	113.5	L113 T114 S119 E120 I121 K136 H163 Y166 R240	L113-E117 WeakPolarHBondContact CA-OE2 3.48Å; L113-E117 HydrophobicContact CB-CB 4.16Å; L113-E117 HydrophobicContact CD2-CB 4.17Å; T114-E117 PolarHBondContact N-OE2 3Å; T114-E117 PolarHBondContact O-N 3.26Å; T114-E117 VanDerWaalsContact O-N 3.1Å; T114-E117 WeakPolarHBondContact OG1-CB 3.48Å; T114-E117 VanDerWaalsContact OG1-CD 3.32Å; T114-E117 WeakPolarHBondContact OG1-CG 3.22Å; T114-E117 PolarHBondContact OG1-N 3.07Å; T114-E117 VanDerWaalsContact OG1-N 3.16Å; T114-E117 PolarHBondContact OG1-OE2 3.42Å; E117-S119 PolarHBondContact O-N 2.99Å; E117-E120 PolarHBondContact O-N 3.04Å; E117-I121 WeakPolarHBondContact O-CB 3.3Å; E117-I121 VanDerWaalsContact O-CG2 3.28Å; E117-I121 WeakPolarHBondContact O-CG2 3.25Å; E117-I121 PolarHBondContact O-N 3.09Å; E117-K136 WeakPolarHBondContact OE1-CD 3.25Å; E117-K136 WeakPolarHBondContact OE1-CE 3.46Å; E117-K136 IonicContact OE1-NZ 2.71Å; E117-K136 PolarHBondContact OE1-NZ 3.41Å; E117-K136 VanDerWaalsContact OE2-CD 3.25Å; E117-K136 WeakPolarHBondContact OE2-CD 3.44Å; E117-K136 IonicContact OE2-NZ 3.78Å; E117-H163 IonicContact OE1-CD2 3.48Å; E117-H163 PolarHBondContact OE1-CD2 3.12Å; E117-H163 IonicContact OE1-NE2 2.69Å; E117-H163 PolarHBondContact OE1-NE2 2.8Å; E117-Y166 WeakPolarHBondContact CA-OH 3.46Å; E117-Y166 PolarHBondContact O-OH 3.41Å; E117-Y166 VanDerWaalsContact O-OH 3.08Å; E117-R240 IonicContact OE1-NH2 3.57Å
118	Q	92.1	Very high	93.4	Very high	72 Å²	72	55.3 Å²	55.3	34%	0.336	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-32	176.4	-68.3	179.3	31.9	0	0	111.9	S110 L113 T114 S115 Y116	S110-Q118 PolarHBondContact O-NE2 2.99Å; L113-Q118 HydrophobicContact CB-CG 3.91Å; L113-Q118 HydrophobicContact CD1-CG 4.45Å; T114-Q118 WeakPolarHBondContact O-CG 3.25Å; T114-Q118 PolarHBondContact O-N 2.93Å; S115-Q118 PolarHBondContact O-N 3.27Å; Y116-Q118 VanDerWaalsContact C-N 3.33Å; Y116-Q118 PolarHBondContact O-N 3.44Å
119	S	92.2	Very high	93.6	Very high	66 Å²	66	52.7 Å²	52.7	46%	0.462	29%	0.287	S	S	.	.	H	α-helix	trans	-85	-29.2	173.6	72.5	0	0	0	0	113.7	S115 Y116 E117 I122 H123	S115-S119 PolarHBondContact O-N 3Å; Y116-S119 PolarHBondContact O-N 2.96Å; Y116-S119 VanDerWaalsContact O-N 3.1Å; Y116-S119 PolarHBondContact O-OG 2.85Å; E117-S119 PolarHBondContact O-N 2.99Å; S119-I122 WeakPolarHBondContact O-CG1 3.42Å; S119-H123 PolarHBondContact O-CE1 2.79Å; S119-H123 PolarHBondContact O-ND1 2.83Å
120	E	95.1	Very high	93.8	Very high	14 Å²	14	51.4 Å²	51.4	7%	0.065	28%	0.282	C	S	.	.	H	α-helix	trans	-76.1	-42.5	-178.9	178.4	-179.8	-127	0	0	111.3	Y116 E117 I122 H123 Y124 Y166 R240	Y116-E120 HydrophobicContact CD1-CB 4.18Å; Y116-E120 HydrophobicContact CE1-CB 4.08Å; Y116-E120 HydrophobicContact CE1-CG 4.32Å; Y116-E120 WeakPolarHBondContact O-CB 3.37Å; Y116-E120 PolarHBondContact O-N 2.89Å; E117-E120 PolarHBondContact O-N 3.04Å; E120-I122 VanDerWaalsContact C-N 3.26Å; E120-I122 PolarHBondContact O-N 2.63Å; E120-I122 VanDerWaalsContact O-N 3.16Å; E120-H123 WeakPolarHBondContact O-CB 3.38Å; E120-H123 PolarHBondContact O-N 3.4Å; E120-H123 VanDerWaalsContact O-N 3.09Å; E120-H123 PolarHBondContact O-ND1 2.82Å; E120-Y124 HydrophobicContact CG-CD2 4.49Å; E120-Y124 HydrophobicContact CG-CE2 3.77Å; E120-Y124 WeakPolarHBondContact O-CD2 3.4Å; E120-Y166 HydrophobicContact CG-CE2 4.03Å; E120-Y166 PolarHBondContact OE2-OH 2.97Å; E120-R240 WeakPolarHBondContact OE1-CG 3.49Å; E120-R240 IonicContact OE1-NE 2.7Å; E120-R240 PolarHBondContact OE1-NE 2.76Å; E120-R240 IonicContact OE2-CZ 3.42Å; E120-R240 IonicContact OE2-NE 3.11Å; E120-R240 PolarHBondContact OE2-NE 3.12Å; E120-R240 VanDerWaalsContact OE2-NE 3.11Å; E120-R240 IonicContact OE2-NH2 2.84Å; E120-R240 PolarHBondContact OE2-NH2 2.6Å
121	I	95.2	Very high	93.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-60.9	-29.2	-168.8	-163.5	169.4	0	0	0	113.9	A105 I106 L113 E117 H123 Y124 I127 Y166	A105-I121 HydrophobicContact CB-CD1 3.66Å; I106-I121 HydrophobicContact CD1-CG2 3.59Å; I106-I121 HydrophobicContact CG1-CG2 3.54Å; L113-I121 HydrophobicContact CD1-CD1 4.09Å; E117-I121 WeakPolarHBondContact O-CB 3.3Å; E117-I121 VanDerWaalsContact O-CG2 3.28Å; E117-I121 WeakPolarHBondContact O-CG2 3.25Å; E117-I121 PolarHBondContact O-N 3.09Å; I121-H123 PolarHBondContact O-N 2.83Å; I121-H123 VanDerWaalsContact O-N 3.12Å; I121-Y124 PolarHBondContact O-N 3.14Å; I121-I127 HydrophobicContact CD1-CD1 4.02Å; I121-I127 HydrophobicContact CD1-CG1 4.16Å; I121-I127 HydrophobicContact CD1-CG2 4.47Å; I121-I127 HydrophobicContact CG1-CD1 3.47Å; I121-I127 VanDerWaalsContact CG1-CD1 3.47Å; I121-I127 HydrophobicContact CG1-CG1 4.04Å; I121-Y166 HydrophobicContact CB-CE1 3.91Å; I121-Y166 HydrophobicContact CB-CE2 4.13Å; I121-Y166 WeakPolarHBondContact CB-OH 3.48Å; I121-Y166 HydrophobicContact CD1-CD1 3.97Å; I121-Y166 HydrophobicContact CD1-CE1 3.68Å; I121-Y166 HydrophobicContact CG1-CD1 3.97Å; I121-Y166 HydrophobicContact CG1-CD2 4.47Å; I121-Y166 HydrophobicContact CG1-CE1 3.64Å; I121-Y166 HydrophobicContact CG1-CE2 4.19Å; I121-Y166 HydrophobicContact CG1-CG 4.36Å; I121-Y166 PolarHBondContact N-OH 3.46Å
122	I	95.5	Very high	93.6	Very high	94 Å²	94	46.7 Å²	46.7	48%	0.482	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-60.6	-23	178.8	69.5	-177.3	0	0	0	112.6	I106 S119 E120 Y124	I106-I122 HydrophobicContact CD1-CG2 3.99Å; S119-I122 WeakPolarHBondContact O-CG1 3.42Å; E120-I122 VanDerWaalsContact C-N 3.26Å; E120-I122 PolarHBondContact O-N 2.63Å; E120-I122 VanDerWaalsContact O-N 3.16Å; I122-Y124 VanDerWaalsContact C-N 3.29Å; I122-Y124 PolarHBondContact O-N 3.48Å
123	H	95.4	Very high	93.2	Very high	138 Å²	138	46.9 Å²	46.9	64%	0.639	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-83.5	-3	178.8	-53.8	96.1	0	0	0	113.3	S119 E120 I121	S119-H123 PolarHBondContact O-CE1 2.79Å; S119-H123 PolarHBondContact O-ND1 2.83Å; E120-H123 WeakPolarHBondContact O-CB 3.38Å; E120-H123 PolarHBondContact O-N 3.4Å; E120-H123 VanDerWaalsContact O-N 3.09Å; E120-H123 PolarHBondContact O-ND1 2.82Å; I121-H123 PolarHBondContact O-N 2.83Å; I121-H123 VanDerWaalsContact O-N 3.12Å
124	Y	96.4	Very high	92.7	Very high	45 Å²	45	47.9 Å²	47.9	18%	0.176	27%	0.269	C	S	.	.			trans	-114.8	92.7	-178.1	-66	-94.5	0	0	0	110.2	P102 E120 I121 I122 Q126 I127 A165 Y166 F239	P102-Y124 WeakPolarHBondContact CG-O 3.43Å; E120-Y124 HydrophobicContact CG-CD2 4.49Å; E120-Y124 HydrophobicContact CG-CE2 3.77Å; E120-Y124 WeakPolarHBondContact O-CD2 3.4Å; I121-Y124 PolarHBondContact O-N 3.14Å; I122-Y124 VanDerWaalsContact C-N 3.29Å; I122-Y124 PolarHBondContact O-N 3.48Å; Y124-Q126 PolarHBondContact O-N 3.04Å; Y124-I127 WeakPolarHBondContact O-CD1 3.49Å; Y124-A165 HydrophobicContact CD1-CB 4.36Å; Y124-A165 HydrophobicContact CE1-CB 3.76Å; Y124-Y166 AromaticContact CD1-CD2 3.95Å; Y124-Y166 HydrophobicContact CD1-CD2 3.95Å; Y124-Y166 AromaticContact CD2-CD2 3.46Å; Y124-Y166 HydrophobicContact CD2-CD2 3.46Å; Y124-Y166 VanDerWaalsContact CD2-CD2 3.46Å; Y124-Y166 AromaticContact CD2-CE2 3.44Å; Y124-Y166 HydrophobicContact CD2-CE2 3.44Å; Y124-Y166 VanDerWaalsContact CD2-CE2 3.44Å; Y124-Y166 HydrophobicContact CE1-CD2 4.37Å; Y124-Y166 AromaticContact CE2-CD2 3.93Å; Y124-Y166 HydrophobicContact CE2-CD2 3.93Å; Y124-Y166 AromaticContact CE2-CE2 3.71Å; Y124-Y166 HydrophobicContact CE2-CE2 3.71Å; Y124-Y166 AromaticContact CG-CD2 3.49Å; Y124-Y166 HydrophobicContact CG-CD2 3.49Å; Y124-Y166 VanDerWaalsContact CG-CD2 3.49Å; Y124-Y166 AromaticContact CG-CE2 3.99Å; Y124-Y166 HydrophobicContact CG-CE2 3.99Å; Y124-F239 WeakPolarHBondContact OH-CD2 3.4Å
125	P	95.5	Very high	92.3	Very high	100 Å²	100	55.8 Å²	55.8	65%	0.649	30%	0.302	S	S	*	.	S	Bend	trans	-62.7	-19	-170.8	24.3	-35	0	0	0	114.6
126	Q	95.5	Very high	92.1	Very high	70 Å²	70	52.8 Å²	52.8	33%	0.327	28%	0.278	S	S	.	.			trans	-126	110.3	-179.9	-60.4	-177.7	-42.1	0	0	109.8	F99 Y124 Y128	F99-Q126 HydrophobicContact CB-CB 4.16Å; F99-Q126 HydrophobicContact CD1-CB 4.46Å; F99-Q126 HydrophobicContact CD1-CG 4.24Å; F99-Q126 HydrophobicContact CD2-CB 3.94Å; F99-Q126 HydrophobicContact CD2-CG 3.88Å; F99-Q126 HydrophobicContact CE1-CG 4.28Å; F99-Q126 HydrophobicContact CE2-CB 4.49Å; F99-Q126 HydrophobicContact CE2-CG 3.93Å; F99-Q126 HydrophobicContact CG-CB 3.94Å; F99-Q126 HydrophobicContact CG-CG 4.06Å; F99-Q126 HydrophobicContact CZ-CG 4.14Å; Y124-Q126 PolarHBondContact O-N 3.04Å; Q126-Y128 HydrophobicContact CB-CD2 4.38Å; Q126-Y128 HydrophobicContact CB-CE2 3.59Å; Q126-Y128 PolarHBondContact OE1-OH 3.32Å; Q126-Y128 VanDerWaalsContact OE1-OH 3.04Å
127	I	96.8	Very high	91.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-100.3	115.9	178.5	-51.8	-55.5	0	0	0	109	F99 I100 P102 A105 I121 Y124 I130 Y166	F99-I127 WeakPolarHBondContact CA-O 3.38Å; I100-I127 HydrophobicContact CG1-CB 3.87Å; I100-I127 HydrophobicContact CG1-CG2 4.13Å; I100-I127 PolarHBondContact N-O 2.93Å; I100-I127 WeakPolarHBondContact O-CB 3.45Å; I100-I127 PolarHBondContact O-N 2.97Å; P102-I127 HydrophobicContact CG-CD1 4.49Å; P102-I127 HydrophobicContact CG-CG1 4.37Å; A105-I127 HydrophobicContact CB-CB 4.44Å; A105-I127 HydrophobicContact CB-CG1 4.21Å; A105-I127 HydrophobicContact CB-CG2 4.17Å; I121-I127 HydrophobicContact CD1-CD1 4.02Å; I121-I127 HydrophobicContact CD1-CG1 4.16Å; I121-I127 HydrophobicContact CD1-CG2 4.47Å; I121-I127 HydrophobicContact CG1-CD1 3.47Å; I121-I127 VanDerWaalsContact CG1-CD1 3.47Å; I121-I127 HydrophobicContact CG1-CG1 4.04Å; Y124-I127 WeakPolarHBondContact O-CD1 3.49Å; I127-I130 HydrophobicContact CG2-CG2 3.65Å; I127-Y166 HydrophobicContact CD1-CD1 4.27Å; I127-Y166 HydrophobicContact CD1-CD2 4.3Å; I127-Y166 HydrophobicContact CD1-CG 3.84Å
128	Y	96.6	Very high	90.8	Very high	12 Å²	12	63 Å²	63	5%	0.047	32%	0.319	C	S	.	.			trans	-105.8	-30.5	178.4	-58.9	-90.8	0	0	0	112.4	R98 F99 Q126 Y166 R167 K189	R98-Y128 WeakPolarHBondContact O-CD1 3.44Å; F99-Y128 HydrophobicContact CB-CD1 3.9Å; F99-Y128 HydrophobicContact CB-CE1 3.7Å; F99-Y128 HydrophobicContact CB-CE2 4.42Å; F99-Y128 HydrophobicContact CB-CG 4.34Å; F99-Y128 HydrophobicContact CD1-CE1 4.42Å; Q126-Y128 HydrophobicContact CB-CD2 4.38Å; Q126-Y128 HydrophobicContact CB-CE2 3.59Å; Q126-Y128 PolarHBondContact OE1-OH 3.32Å; Q126-Y128 VanDerWaalsContact OE1-OH 3.04Å; Y128-Y166 PolarHBondContact N-O 3.41Å; Y128-R167 HydrophobicContact CD2-CB 4.11Å; Y128-R167 HydrophobicContact CD2-CG 4.06Å; Y128-K189 HydrophobicContact CD1-CB 3.84Å; Y128-K189 HydrophobicContact CD1-CG 4.32Å; Y128-K189 HydrophobicContact CD2-CB 4.28Å; Y128-K189 HydrophobicContact CE1-CB 3.66Å; Y128-K189 HydrophobicContact CE1-CD 4.21Å; Y128-K189 HydrophobicContact CE1-CG 3.63Å; Y128-K189 HydrophobicContact CE2-CB 4.11Å; Y128-K189 HydrophobicContact CE2-CD 4.04Å; Y128-K189 HydrophobicContact CE2-CG 4.26Å; Y128-K189 HydrophobicContact CG-CB 4.14Å; Y128-K189 WeakPolarHBondContact OH-CD 3.32Å; Y128-K189 WeakPolarHBondContact OH-CE 3.36Å
129	F	95.8	Very high	90	Very high	25 Å²	25	60.4 Å²	60.4	11%	0.11	31%	0.309	C	S	.	.			trans	-154.6	133.8	-176.9	-178.1	-109.2	0	0	0	112	G131 R161 H163 Y166 E169 H188	F129-G131 VanDerWaalsContact CZ-CA 3.46Å; F129-R161 WeakPolarHBondContact CE1-O 3.44Å; F129-R161 WeakPolarHBondContact CZ-O 3.48Å; F129-H163 HydrophobicContact CD1-CB 3.71Å; F129-H163 HydrophobicContact CE1-CB 4.14Å; F129-Y166 PolarHBondContact N-O 3.14Å; F129-Y166 CarbonylContact O-C 3.56Å; F129-Y166 WeakPolarHBondContact O-CA 3.4Å; F129-E169 HydrophobicContact CD1-CB 3.76Å; F129-E169 HydrophobicContact CD1-CG 4.39Å; F129-E169 HydrophobicContact CE1-CB 3.46Å; F129-E169 VanDerWaalsContact CE1-CB 3.46Å; F129-E169 HydrophobicContact CE1-CG 3.6Å; F129-E169 HydrophobicContact CE2-CB 4.46Å; F129-E169 HydrophobicContact CE2-CG 4.39Å; F129-E169 HydrophobicContact CG-CB 4.37Å; F129-E169 HydrophobicContact CZ-CB 3.83Å; F129-E169 VanDerWaalsContact CZ-CD 3.47Å; F129-E169 HydrophobicContact CZ-CG 3.58Å; F129-E169 WeakPolarHBondContact CZ-OE1 3.44Å; F129-H188 HydrophobicContact CB-CB 4.08Å; F129-H188 AromaticContact CD2-CD2 3.81Å; F129-H188 AromaticContact CD2-CE1 3.52Å; F129-H188 AromaticContact CD2-NE2 3.33Å; F129-H188 VanDerWaalsContact CD2-NE2 3.33Å; F129-H188 WeakPolarHBondContact CD2-NE2 3.46Å; F129-H188 AromaticContact CE2-NE2 3.76Å; F129-H188 AromaticContact CG-CD2 3.56Å; F129-H188 AromaticContact CG-NE2 3.55Å
130	I	94.3	Very high	89	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.062	31%	0.306	C	S	.	.			trans	-112.5	-12.4	-178.1	62.5	165	0	0	0	114.4	Y109 L113 I127 D132 K136 Y166	Y109-I130 VanDerWaalsContact CB-CD1 3.46Å; Y109-I130 HydrophobicContact CD1-CD1 3.56Å; Y109-I130 HydrophobicContact CD2-CD1 3.63Å; Y109-I130 HydrophobicContact CE1-CD1 4.17Å; Y109-I130 HydrophobicContact CE2-CD1 4.24Å; Y109-I130 HydrophobicContact CG-CD1 3.25Å; L113-I130 HydrophobicContact CD2-CB 4.33Å; I127-I130 HydrophobicContact CG2-CG2 3.65Å; I130-D132 HydrophobicContact CD1-CB 3.84Å; I130-D132 HydrophobicContact CG1-CB 4.02Å; I130-K136 WeakPolarHBondContact O-CE 3.24Å; I130-K136 PolarHBondContact O-NZ 3.14Å; I130-Y166 HydrophobicContact CG2-CD1 4.32Å
131	G	92.6	Very high	87.5	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.01	35%	0.345	C	S	.	.			trans	68.4	46.8	-177	0	0	0	0	0	114.3	F129 A133 K136	F129-G131 VanDerWaalsContact CZ-CA 3.46Å; G131-A133 VanDerWaalsContact C-N 3.34Å; G131-A133 PolarHBondContact O-N 2.8Å; G131-K136 VanDerWaalsContact O-CE 3.32Å; G131-K136 WeakPolarHBondContact O-CE 3.08Å
132	D	85.1	Confident	86.7	Confident	66 Å²	66	74.1 Å²	74.1	35%	0.353	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.2	-172.4	67.9	-31.9	0	0	0	115.8	K112 I130 V134	K112-D132 HydrophobicContact CB-CB 4.33Å; K112-D132 HydrophobicContact CD-CB 3.81Å; K112-D132 HydrophobicContact CG-CB 4.41Å; K112-D132 IonicContact NZ-OD2 3.84Å; K112-D132 PolarHBondContact NZ-OD2 3.12Å; I130-D132 HydrophobicContact CD1-CB 3.84Å; I130-D132 HydrophobicContact CG1-CB 4.02Å; D132-V134 VanDerWaalsContact C-N 3.31Å
133	A	82.1	Confident	86.1	Confident	96 Å²	96	74.1 Å²	74.1	79%	0.793	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	6.2	180	0	0	0	0	0	113.8	G131	G131-A133 VanDerWaalsContact C-N 3.34Å; G131-A133 PolarHBondContact O-N 2.8Å
134	V	81.2	Confident	85.7	Confident	34 Å²	34	70.4 Å²	70.4	21%	0.206	38%	0.375	C	S	.	.	S	Bend	trans	-118.1	144.4	-168.2	-170.2	0	0	0	0	111.7	D132 K136 P160 R161	D132-V134 VanDerWaalsContact C-N 3.31Å; V134-K136 VanDerWaalsContact C-N 3.34Å; V134-K136 PolarHBondContact O-N 2.86Å; V134-P160 WeakPolarHBondContact CG1-O 3.5Å; V134-R161 VanDerWaalsContact CG2-C 3.5Å; V134-R161 HydrophobicContact CG2-CB 3.4Å; V134-R161 VanDerWaalsContact CG2-CB 3.4Å; V134-R161 WeakPolarHBondContact CG2-O 3.44Å
135	K	83.2	Confident	85.4	Confident	187 Å²	187	72 Å²	72	81%	0.813	39%	0.386	S	S	*	.			trans	-72.4	92.4	163.7	-171.5	177.6	-178.9	-179.5	0	109	M159	K135-M159 WeakPolarHBondContact O-CE 3.44Å
136	K	86.4	Confident	85.2	Confident	21 Å²	21	67.8 Å²	67.8	9%	0.091	36%	0.358	C	S	.	.			trans	-63.3	154	-179.4	-66.7	172.2	170.1	-71.2	0	112.6	K112 T114 E117 I130 G131 V134 R138 D162 H163	K112-K136 WeakPolarHBondContact O-CE 3.15Å; T114-K136 HydrophobicContact CG2-CB 3.96Å; T114-K136 HydrophobicContact CG2-CD 4.2Å; E117-K136 WeakPolarHBondContact OE1-CD 3.25Å; E117-K136 WeakPolarHBondContact OE1-CE 3.46Å; E117-K136 IonicContact OE1-NZ 2.71Å; E117-K136 PolarHBondContact OE1-NZ 3.41Å; E117-K136 VanDerWaalsContact OE2-CD 3.25Å; E117-K136 WeakPolarHBondContact OE2-CD 3.44Å; E117-K136 IonicContact OE2-NZ 3.78Å; I130-K136 WeakPolarHBondContact O-CE 3.24Å; I130-K136 PolarHBondContact O-NZ 3.14Å; G131-K136 VanDerWaalsContact O-CE 3.32Å; G131-K136 WeakPolarHBondContact O-CE 3.08Å; V134-K136 VanDerWaalsContact C-N 3.34Å; V134-K136 PolarHBondContact O-N 2.86Å; K136-R138 PolarHBondContact O-N 3.15Å; K136-D162 IonicContact NZ-OD1 2.76Å; K136-D162 PolarHBondContact NZ-OD1 3.29Å; K136-H163 PolarHBondContact NZ-CD2 3.45Å
137	H	80.7	Confident	85.1	Confident	52 Å²	52	68.4 Å²	68.4	24%	0.241	36%	0.358	C	S	.	.			trans	-66.2	126.2	168.1	-173.2	86.3	0	0	0	109.1	A139 G148 M159	H137-A139 PolarHBondContact O-N 3.06Å; H137-G148 PolarHBondContact CE1-O 2.73Å; H137-G148 PolarHBondContact NE2-O 3Å; H137-M159 HydrophobicContact CB-CG 4.42Å
138	R	79.3	Confident	84.9	Confident	218 Å²	218	69 Å²	69	82%	0.823	36%	0.364	S	S	*	.			trans	-93.7	96.9	177.4	-68	-174	178.4	-169.1	-1.8	108.2	K136 P140	K136-R138 PolarHBondContact O-N 3.15Å; R138-P140 WeakPolarHBondContact O-CD 3.37Å
139	A	74.7	Confident	84.8	Confident	16 Å²	16	68.5 Å²	68.5	13%	0.132	36%	0.363	C	S	.	.			trans	-56	122	177.2	0	0	0	0	0	110.6	Y116 H137 Y147 F149	Y116-A139 HydrophobicContact CD2-CB 4.21Å; Y116-A139 HydrophobicContact CG-CB 4.26Å; H137-A139 PolarHBondContact O-N 3.06Å; A139-Y147 VanDerWaalsContact CA-O 3.23Å; A139-Y147 WeakPolarHBondContact CA-O 3.32Å; A139-Y147 WeakPolarHBondContact CB-O 3.46Å; A139-F149 HydrophobicContact CB-CD2 4.49Å; A139-F149 HydrophobicContact CB-CE1 4.45Å; A139-F149 HydrophobicContact CB-CE2 3.72Å; A139-F149 HydrophobicContact CB-CZ 3.71Å
140	P	71	Confident	84.8	Confident	62 Å²	62	67.7 Å²	67.7	40%	0.403	36%	0.36	S	S	.	.			trans	-59.9	152.3	166.5	25.4	-34.6	0	0	0	110.1	R138 E142 Y147	R138-P140 WeakPolarHBondContact O-CD 3.37Å; P140-E142 PolarHBondContact O-N 3.19Å; P140-Y147 WeakPolarHBondContact CD-O 3.43Å
141	L	65	Low	84.7	Confident	169 Å²	169	70.1 Å²	70.1	89%	0.885	37%	0.372	S	S	*	.	S	Bend	trans	-66.2	-12.6	172.7	-70.7	167.3	0	0	0	112.2
142	E	77.2	Confident	84.8	Confident	138 Å²	138	77.2 Å²	77.2	65%	0.645	41%	0.41	S	S	*	.	S	Bend	trans	-78.2	134	176.7	-65.1	-174.8	-178.8	0	0	111.2	P140 A144 Y147	P140-E142 PolarHBondContact O-N 3.19Å; E142-A144 PolarHBondContact O-N 2.95Å; E142-A144 VanDerWaalsContact O-N 3.11Å; E142-Y147 WeakPolarHBondContact O-CA 3.39Å
143	P	82.8	Confident	85.2	Confident	94 Å²	94	78.3 Å²	78.3	61%	0.61	42%	0.416	S	S	*	.			trans	-72.9	-2.2	-177	30.4	-36.1	0	0	0	113.9	N146 Y147	P143-N146 PolarHBondContact O-N 3.03Å; P143-Y147 HydrophobicContact CB-CE1 4.05Å
144	A	87.9	Confident	85.8	Confident	59 Å²	59	74.2 Å²	74.2	49%	0.488	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	139.3	179.1	0	0	0	0	0	111	E142 N146 Y147 G148	E142-A144 PolarHBondContact O-N 2.95Å; E142-A144 VanDerWaalsContact O-N 3.11Å; A144-N146 VanDerWaalsContact C-N 3.25Å; A144-N146 PolarHBondContact O-N 3.4Å; A144-Y147 PolarHBondContact O-N 3.1Å; A144-Y147 VanDerWaalsContact O-N 3.15Å; A144-G148 PolarHBondContact O-N 2.8Å; A144-G148 VanDerWaalsContact O-N 3.09Å
145	N	89.1	Confident	86.5	Confident	79 Å²	79	74.1 Å²	74.1	42%	0.422	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	47.3	-177.6	-64.7	-1.2	0	0	0	113.1	Y147 G148 F149 D150 D152	N145-Y147 PolarHBondContact O-N 2.93Å; N145-G148 CarbonylContact O-C 3.57Å; N145-G148 WeakPolarHBondContact O-CA 3.13Å; N145-G148 PolarHBondContact O-N 3.47Å; N145-G148 VanDerWaalsContact O-N 3.1Å; N145-F149 PolarHBondContact O-N 2.93Å; N145-D150 WeakPolarHBondContact CB-O 3.2Å; N145-D150 WeakPolarHBondContact O-CB 3.47Å; N145-D150 PolarHBondContact O-N 3.03Å; N145-D152 PolarHBondContact ND2-OD1 2.95Å
146	N	93.1	Very high	87.2	Confident	11 Å²	11	65.6 Å²	65.6	6%	0.059	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	54.1	-179.3	-175.6	29.5	0	0	0	112	P143 A144 G148 F149 D150 R240 Q241	P143-N146 PolarHBondContact O-N 3.03Å; A144-N146 VanDerWaalsContact C-N 3.25Å; A144-N146 PolarHBondContact O-N 3.4Å; N146-G148 PolarHBondContact O-N 2.89Å; N146-F149 WeakPolarHBondContact O-CB 3.46Å; N146-F149 VanDerWaalsContact O-CD2 3.25Å; N146-F149 WeakPolarHBondContact O-CD2 3.24Å; N146-F149 PolarHBondContact O-N 3.07Å; N146-D150 HydrophobicContact CB-CB 4.07Å; N146-D150 WeakPolarHBondContact CB-OD1 3.34Å; N146-D150 VanDerWaalsContact CB-OD2 3.3Å; N146-D150 WeakPolarHBondContact CB-OD2 3.39Å; N146-D150 PolarHBondContact ND2-OD1 3.12Å; N146-R240 PolarHBondContact ND2-O 3.19Å; N146-Q241 VanDerWaalsContact OD1-CD 3.28Å; N146-Q241 WeakPolarHBondContact OD1-CG 3.48Å; N146-Q241 PolarHBondContact OD1-NE2 3.13Å
147	Y	92	Very high	87.6	Confident	83 Å²	83	67.5 Å²	67.5	33%	0.325	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	36.5	-175.9	-51.1	-86.9	0	0	0	112.8	Y116 A139 P140 E142 P143 A144 N145 F149	Y116-Y147 HydrophobicContact CE2-CD2 4Å; Y116-Y147 HydrophobicContact CE2-CE2 4.49Å; Y116-Y147 HydrophobicContact CE2-CG 4.04Å; A139-Y147 VanDerWaalsContact CA-O 3.23Å; A139-Y147 WeakPolarHBondContact CA-O 3.32Å; A139-Y147 WeakPolarHBondContact CB-O 3.46Å; P140-Y147 WeakPolarHBondContact CD-O 3.43Å; E142-Y147 WeakPolarHBondContact O-CA 3.39Å; P143-Y147 HydrophobicContact CB-CE1 4.05Å; A144-Y147 PolarHBondContact O-N 3.1Å; A144-Y147 VanDerWaalsContact O-N 3.15Å; N145-Y147 PolarHBondContact O-N 2.93Å; Y147-F149 PolarHBondContact O-N 2.79Å
148	G	92.3	Very high	88.2	Confident	13 Å²	13	66.4 Å²	66.4	13%	0.134	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	1.7	-176.7	0	0	0	0	0	115.8	H137 A144 N145 N146 D150 I157	H137-G148 PolarHBondContact CE1-O 2.73Å; H137-G148 PolarHBondContact NE2-O 3Å; A144-G148 PolarHBondContact O-N 2.8Å; A144-G148 VanDerWaalsContact O-N 3.09Å; N145-G148 CarbonylContact O-C 3.57Å; N145-G148 WeakPolarHBondContact O-CA 3.13Å; N145-G148 PolarHBondContact O-N 3.47Å; N145-G148 VanDerWaalsContact O-N 3.1Å; N146-G148 PolarHBondContact O-N 2.89Å; G148-D150 VanDerWaalsContact C-N 3.26Å; G148-D150 PolarHBondContact O-N 3.02Å; G148-I157 WeakPolarHBondContact O-CD1 3.05Å
149	F	94.8	Very high	88.8	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.009	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.4	176.4	-69.7	-63.1	0	0	0	113.5	Y116 A139 N145 N146 Y147 Y156 I157 R240	Y116-F149 AromaticContact CD1-CE2 3.66Å; Y116-F149 HydrophobicContact CD1-CE2 3.66Å; Y116-F149 AromaticContact CD1-CZ 3.72Å; Y116-F149 HydrophobicContact CD1-CZ 3.72Å; Y116-F149 HydrophobicContact CD2-CE2 4.04Å; Y116-F149 AromaticContact CE1-CE2 3.58Å; Y116-F149 HydrophobicContact CE1-CE2 3.58Å; Y116-F149 HydrophobicContact CE1-CZ 4.02Å; Y116-F149 AromaticContact CE2-CE2 3.95Å; Y116-F149 HydrophobicContact CE2-CE2 3.95Å; Y116-F149 AromaticContact CG-CE2 3.9Å; Y116-F149 HydrophobicContact CG-CE2 3.9Å; Y116-F149 HydrophobicContact CG-CZ 4.05Å; Y116-F149 AromaticContact CZ-CE2 3.74Å; A139-F149 HydrophobicContact CB-CD2 4.49Å; A139-F149 HydrophobicContact CB-CE1 4.45Å; A139-F149 HydrophobicContact CB-CE2 3.72Å; A139-F149 HydrophobicContact CB-CZ 3.71Å; N145-F149 PolarHBondContact O-N 2.93Å; N146-F149 WeakPolarHBondContact O-CB 3.46Å; N146-F149 VanDerWaalsContact O-CD2 3.25Å; N146-F149 WeakPolarHBondContact O-CD2 3.24Å; N146-F149 PolarHBondContact O-N 3.07Å; Y147-F149 PolarHBondContact O-N 2.79Å; F149-Y156 HydrophobicContact CB-CD2 4.21Å; F149-Y156 HydrophobicContact CB-CE2 3.92Å; F149-Y156 HydrophobicContact CD1-CE2 4.13Å; F149-Y156 HydrophobicContact CG-CE2 4.26Å; F149-I157 WeakPolarHBondContact O-CB 3.48Å; F149-I157 WeakPolarHBondContact O-CG1 3.32Å; F149-I157 PolarHBondContact O-N 2.7Å; F149-R240 HydrophobicContact CD2-CG 4.42Å; F149-R240 HydrophobicContact CE2-CG 4.48Å
150	D	95.4	Very high	89.5	Confident	9 Å²	9	62 Å²	62	5%	0.048	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-106.1	148.9	-179.7	-61.8	7.6	0	0	0	110.9	N145 N146 G148 F155 N201 H242	N145-D150 WeakPolarHBondContact CB-O 3.2Å; N145-D150 WeakPolarHBondContact O-CB 3.47Å; N145-D150 PolarHBondContact O-N 3.03Å; N146-D150 HydrophobicContact CB-CB 4.07Å; N146-D150 WeakPolarHBondContact CB-OD1 3.34Å; N146-D150 VanDerWaalsContact CB-OD2 3.3Å; N146-D150 WeakPolarHBondContact CB-OD2 3.39Å; N146-D150 PolarHBondContact ND2-OD1 3.12Å; G148-D150 VanDerWaalsContact C-N 3.26Å; G148-D150 PolarHBondContact O-N 3.02Å; D150-F155 CarbonylContact C-O 3.49Å; D150-F155 WeakPolarHBondContact CA-O 3.4Å; D150-N201 VanDerWaalsContact OD2-CB 3.24Å; D150-N201 WeakPolarHBondContact OD2-CB 3.48Å; D150-N201 PolarHBondContact OD2-ND2 3.2Å; D150-H242 IonicContact OD1-CD2 2.97Å; D150-H242 IonicContact OD1-CE1 3.48Å; D150-H242 PolarHBondContact OD1-CE1 3.33Å; D150-H242 IonicContact OD1-NE2 3.38Å; D150-H242 PolarHBondContact OD1-NE2 2.91Å; D150-H242 IonicContact OD2-CE1 2.97Å; D150-H242 IonicContact OD2-NE2 3.78Å
151	D	93.5	Very high	90.7	Very high	62 Å²	62	64.5 Å²	64.5	33%	0.332	35%	0.345	S	S	.	.			trans	-76.5	177.2	161.3	68.7	14.2	0	0	0	111.5	D153 G154 F155 I157	D151-D153 PolarHBondContact O-N 2.88Å; D151-D153 VanDerWaalsContact O-N 3.09Å; D151-D153 WeakPolarHBondContact OD1-CA 3.13Å; D151-D153 WeakPolarHBondContact OD1-CB 3.4Å; D151-D153 PolarHBondContact OD1-N 2.94Å; D151-G154 PolarHBondContact O-N 2.82Å; D151-G154 PolarHBondContact OD1-N 2.95Å; D151-F155 PolarHBondContact N-O 2.73Å; D151-F155 WeakPolarHBondContact OD1-CB 3.34Å; D151-F155 PolarHBondContact OD1-N 3.13Å; D151-F155 WeakPolarHBondContact OD2-CB 3.38Å; D151-I157 HydrophobicContact CB-CG1 4.41Å
152	D	93.7	Very high	92.2	Very high	150 Å²	150	56.7 Å²	56.7	80%	0.802	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.9	-179	-63.5	-30.3	0	0	0	113.5	N145	N145-D152 PolarHBondContact ND2-OD1 2.95Å
153	D	93.4	Very high	93.1	Very high	89 Å²	89	50.1 Å²	50.1	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.8	173.8	-87.6	-57.5	0	0	0	111.8	D151 F155 R200	D151-D153 PolarHBondContact O-N 2.88Å; D151-D153 VanDerWaalsContact O-N 3.09Å; D151-D153 WeakPolarHBondContact OD1-CA 3.13Å; D151-D153 WeakPolarHBondContact OD1-CB 3.4Å; D151-D153 PolarHBondContact OD1-N 2.94Å; D153-F155 HydrophobicContact CB-CD2 3.53Å; D153-F155 HydrophobicContact CB-CE2 3.7Å; D153-R200 PolarHBondContact O-NE 2.91Å; D153-R200 PolarHBondContact O-NH2 2.89Å; D153-R200 IonicContact OD1-CZ 3.93Å; D153-R200 IonicContact OD1-NH1 3.48Å; D153-R200 IonicContact OD1-NH2 2.73Å; D153-R200 PolarHBondContact OD1-NH2 2.91Å
154	G	95	Very high	93.8	Very high	10 Å²	10	45.7 Å²	45.7	10%	0.103	25%	0.245	C	C	.	.	S	Bend	trans	80.9	18	-177.4	0	0	0	0	0	113.6	D151 R200 N201 H242	D151-G154 PolarHBondContact O-N 2.82Å; D151-G154 PolarHBondContact OD1-N 2.95Å; G154-R200 WeakPolarHBondContact O-CA 3.46Å; G154-R200 WeakPolarHBondContact O-CG 3.47Å; G154-N201 PolarHBondContact O-N 3.07Å; G154-H242 PolarHBondContact O-CE1 2.91Å
155	F	96.6	Very high	94.3	Very high	32 Å²	32	43.5 Å²	43.5	14%	0.14	23%	0.226	C	C	.	.			trans	-83.2	137.8	168.4	-67.1	-96.1	0	0	0	110.5	D150 D151 D153 I157 G177 G180 Q181	D150-F155 CarbonylContact C-O 3.49Å; D150-F155 WeakPolarHBondContact CA-O 3.4Å; D151-F155 PolarHBondContact N-O 2.73Å; D151-F155 WeakPolarHBondContact OD1-CB 3.34Å; D151-F155 PolarHBondContact OD1-N 3.13Å; D151-F155 WeakPolarHBondContact OD2-CB 3.38Å; D153-F155 HydrophobicContact CB-CD2 3.53Å; D153-F155 HydrophobicContact CB-CE2 3.7Å; F155-I157 PolarHBondContact O-N 3Å; F155-G177 VanDerWaalsContact CE1-O 3.28Å; F155-G177 WeakPolarHBondContact CE1-O 3.5Å; F155-G180 VanDerWaalsContact CE1-CA 3.5Å; F155-Q181 HydrophobicContact CD1-CG 3.96Å
156	Y	96.7	Very high	94.7	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.035	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-60.8	128	172.7	-170.1	-108.5	0	0	0	111.5	F149 L158 Q181 I198 F239 R240 H242	F149-Y156 HydrophobicContact CB-CD2 4.21Å; F149-Y156 HydrophobicContact CB-CE2 3.92Å; F149-Y156 HydrophobicContact CD1-CE2 4.13Å; F149-Y156 HydrophobicContact CG-CE2 4.26Å; Y156-L158 HydrophobicContact CD1-CD2 3.86Å; Y156-L158 HydrophobicContact CD1-CG 4.21Å; Y156-L158 HydrophobicContact CE1-CD2 4.25Å; Y156-L158 PolarHBondContact O-N 2.83Å; Y156-L158 VanDerWaalsContact O-N 3.12Å; Y156-Q181 PolarHBondContact O-NE2 2.62Å; Y156-I198 HydrophobicContact CD1-CD1 4.4Å; Y156-I198 HydrophobicContact CG-CG2 4.3Å; Y156-F239 HydrophobicContact CE2-CE1 4.43Å; Y156-F239 AromaticContact CZ-CE1 3.97Å; Y156-R240 HydrophobicContact CE2-CB 4.15Å; Y156-R240 PolarHBondContact OH-NH1 3.45Å; Y156-H242 WeakPolarHBondContact CB-NE2 3.32Å; Y156-H242 AromaticContact CD2-CD2 3.46Å; Y156-H242 VanDerWaalsContact CD2-CD2 3.46Å; Y156-H242 WeakPolarHBondContact CD2-CD2 3.5Å; Y156-H242 AromaticContact CD2-NE2 3.46Å; Y156-H242 WeakPolarHBondContact CD2-NE2 3.2Å; Y156-H242 AromaticContact CG-CD2 3.96Å; Y156-H242 AromaticContact CG-NE2 3.91Å; Y156-H242 PolarHBondContact N-CE1 3.14Å
157	I	94.9	Very high	94.9	Very high	61 Å²	61	41 Å²	41	31%	0.313	21%	0.21	S	C	.	.			trans	-75.8	101.6	176.7	-62.3	175.5	0	0	0	108.6	G148 F149 D151 F155	G148-I157 WeakPolarHBondContact O-CD1 3.05Å; F149-I157 WeakPolarHBondContact O-CB 3.48Å; F149-I157 WeakPolarHBondContact O-CG1 3.32Å; F149-I157 PolarHBondContact O-N 2.7Å; D151-I157 HydrophobicContact CB-CG1 4.41Å; F155-I157 PolarHBondContact O-N 3Å
158	L	92.7	Very high	95.2	Very high	29 Å²	29	37 Å²	37	15%	0.152	19%	0.194	C	C	.	.			trans	-77.5	125.4	-177.7	-75	166.5	0	0	0	112.2	Y156 V170 V173 Q181 V183 I198	Y156-L158 HydrophobicContact CD1-CD2 3.86Å; Y156-L158 HydrophobicContact CD1-CG 4.21Å; Y156-L158 HydrophobicContact CE1-CD2 4.25Å; Y156-L158 PolarHBondContact O-N 2.83Å; Y156-L158 VanDerWaalsContact O-N 3.12Å; L158-V170 HydrophobicContact CD2-CG1 4.16Å; L158-V170 HydrophobicContact CD2-CG2 4.29Å; L158-V173 HydrophobicContact CD1-CG2 3.84Å; L158-Q181 HydrophobicContact CD1-CB 4.13Å; L158-V183 HydrophobicContact CD1-CG1 3.37Å; L158-V183 HydrophobicContact CD2-CG1 3.95Å; L158-V183 HydrophobicContact CG-CG1 4.32Å; L158-I198 HydrophobicContact CD2-CD1 3.69Å
159	M	91.9	Very high	95.5	Very high	56 Å²	56	36.7 Å²	36.7	28%	0.276	19%	0.189	S	C	.	.			trans	-103.9	116	170.1	-63.7	-57.2	-72.3	0	0	109.5	K135 H137 R161 D162	K135-M159 WeakPolarHBondContact O-CE 3.44Å; H137-M159 HydrophobicContact CB-CG 4.42Å; M159-R161 PolarHBondContact O-N 2.88Å; M159-D162 HydrophobicContact CB-CB 3.74Å; M159-D162 VanDerWaalsContact O-CB 3.31Å; M159-D162 WeakPolarHBondContact O-CB 3.31Å; M159-D162 PolarHBondContact O-N 2.99Å; M159-D162 VanDerWaalsContact O-N 3.14Å
160	P	91.5	Very high	95.6	Very high	86 Å²	86	36.9 Å²	36.9	56%	0.558	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	137.5	174.7	-25.6	34.6	0	0	0	111.2	V134 D162	V134-P160 WeakPolarHBondContact CG1-O 3.5Å; P160-D162 PolarHBondContact O-N 3.27Å
161	R	94.9	Very high	95.6	Very high	114 Å²	114	39.1 Å²	39.1	43%	0.43	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	-0.5	-177.6	-51.6	-60.3	-60.8	-133	-4.9	115.7	F129 V134 M159 E169 V170	F129-R161 WeakPolarHBondContact CE1-O 3.44Å; F129-R161 WeakPolarHBondContact CZ-O 3.48Å; V134-R161 VanDerWaalsContact CG2-C 3.5Å; V134-R161 HydrophobicContact CG2-CB 3.4Å; V134-R161 VanDerWaalsContact CG2-CB 3.4Å; V134-R161 WeakPolarHBondContact CG2-O 3.44Å; M159-R161 PolarHBondContact O-N 2.88Å; R161-E169 IonicContact CZ-OE1 3.18Å; R161-E169 IonicContact NE-OE1 3.99Å; R161-E169 PolarHBondContact NE-OE1 3.04Å; R161-E169 IonicContact NH2-OE1 2.96Å; R161-E169 PolarHBondContact NH2-OE1 2.74Å; R161-E169 IonicContact NH2-OE2 2.98Å; R161-V170 VanDerWaalsContact CA-O 3.23Å; R161-V170 WeakPolarHBondContact CA-O 3.39Å; R161-V170 PolarHBondContact N-O 2.93Å
162	D	96.1	Very high	95.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.211	C	C	.	.			trans	-77.2	167.1	174.2	-157.8	11.2	0	0	0	111.5	K136 M159 P160 V170	K136-D162 IonicContact NZ-OD1 2.76Å; K136-D162 PolarHBondContact NZ-OD1 3.29Å; M159-D162 HydrophobicContact CB-CB 3.74Å; M159-D162 VanDerWaalsContact O-CB 3.31Å; M159-D162 WeakPolarHBondContact O-CB 3.31Å; M159-D162 PolarHBondContact O-N 2.99Å; M159-D162 VanDerWaalsContact O-N 3.14Å; P160-D162 PolarHBondContact O-N 3.27Å; D162-V170 PolarHBondContact O-N 2.95Å
163	H	96.9	Very high	95.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	152.3	-179.8	80.7	110.7	0	0	0	112.5	E117 F129 K136 Y166 Y168 F239 R240	E117-H163 IonicContact OE1-CD2 3.48Å; E117-H163 PolarHBondContact OE1-CD2 3.12Å; E117-H163 IonicContact OE1-NE2 2.69Å; E117-H163 PolarHBondContact OE1-NE2 2.8Å; F129-H163 HydrophobicContact CD1-CB 3.71Å; F129-H163 HydrophobicContact CE1-CB 4.14Å; K136-H163 PolarHBondContact NZ-CD2 3.45Å; H163-Y166 AromaticContact CE1-CD1 3.4Å; H163-Y166 VanDerWaalsContact CE1-CD1 3.4Å; H163-Y166 WeakPolarHBondContact CE1-CD1 3.38Å; H163-Y166 AromaticContact CE1-CD2 3.81Å; H163-Y166 AromaticContact CE1-CE1 3.24Å; H163-Y166 WeakPolarHBondContact CE1-CE1 3.28Å; H163-Y166 AromaticContact CE1-CE2 3.65Å; H163-Y166 AromaticContact CE1-CG 3.7Å; H163-Y166 AromaticContact CE1-CZ 3.38Å; H163-Y166 WeakPolarHBondContact ND1-CA 3.3Å; H163-Y166 AromaticContact ND1-CD1 3.34Å; H163-Y166 VanDerWaalsContact ND1-CD1 3.34Å; H163-Y166 WeakPolarHBondContact ND1-CD1 3.32Å; H163-Y166 AromaticContact ND1-CD2 3.9Å; H163-Y166 AromaticContact ND1-CE1 3.71Å; H163-Y166 AromaticContact ND1-CG 3.47Å; H163-Y166 PolarHBondContact ND1-N 3.09Å; H163-Y166 VanDerWaalsContact ND1-N 3.14Å; H163-Y166 AromaticContact NE2-CE1 3.86Å; H163-Y168 CarbonylContact C-O 3.54Å; H163-Y168 WeakPolarHBondContact CA-O 3.42Å; H163-F239 AromaticContact CE1-CZ 3.92Å; H163-R240 PolarHBondContact NE2-NH2 3.18Å
164	V	97.6	Very high	95.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.6	160	171.5	0	0	0	0	107.6	Y166 R167 Y168 V170 L196 I198 F237 F239	V164-Y166 PolarHBondContact O-N 3.47Å; V164-R167 PolarHBondContact O-N 3.13Å; V164-R167 VanDerWaalsContact O-N 3.12Å; V164-Y168 PolarHBondContact N-O 2.96Å; V164-Y168 PolarHBondContact O-N 3.18Å; V164-V170 HydrophobicContact CG2-CG2 3.84Å; V164-L196 HydrophobicContact CB-CD2 3.98Å; V164-L196 HydrophobicContact CG1-CD2 3.96Å; V164-L196 HydrophobicContact CG2-CD2 4.05Å; V164-I198 HydrophobicContact CG2-CD1 4.44Å; V164-F237 HydrophobicContact CG1-CE2 3.73Å; V164-F237 HydrophobicContact CG1-CZ 3.95Å; V164-F239 HydrophobicContact CB-CD1 4.3Å; V164-F239 HydrophobicContact CB-CE1 4.29Å; V164-F239 HydrophobicContact CG1-CB 4.22Å; V164-F239 HydrophobicContact CG1-CD1 3.7Å; V164-F239 HydrophobicContact CG1-CE1 4.19Å; V164-F239 HydrophobicContact CG1-CG 3.98Å; V164-F239 HydrophobicContact CG2-CD1 4.35Å; V164-F239 HydrophobicContact CG2-CE1 4.17Å
165	A	97.6	Very high	95.4	Very high	12 Å²	12	33.6 Å²	33.6	10%	0.099	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	32	-178.8	0	0	0	0	0	114.1	Y124 R167 F237 F239	Y124-A165 HydrophobicContact CD1-CB 4.36Å; Y124-A165 HydrophobicContact CE1-CB 3.76Å; A165-R167 PolarHBondContact O-N 3.42Å; A165-F237 HydrophobicContact CB-CD2 3.79Å; A165-F237 HydrophobicContact CB-CE2 3.46Å; A165-F237 VanDerWaalsContact CB-CE2 3.46Å; A165-F237 HydrophobicContact CB-CZ 4.03Å; A165-F239 HydrophobicContact CB-CD2 4.2Å; A165-F239 VanDerWaalsContact N-CD2 3.28Å; A165-F239 VanDerWaalsContact N-CE2 3.32Å
166	Y	97.6	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	28.6	-178.5	-58.8	-87.4	0	0	0	114.8	E117 E120 I121 Y124 I127 Y128 F129 I130 H163 V164	E117-Y166 WeakPolarHBondContact CA-OH 3.46Å; E117-Y166 PolarHBondContact O-OH 3.41Å; E117-Y166 VanDerWaalsContact O-OH 3.08Å; E120-Y166 HydrophobicContact CG-CE2 4.03Å; E120-Y166 PolarHBondContact OE2-OH 2.97Å; I121-Y166 HydrophobicContact CB-CE1 3.91Å; I121-Y166 HydrophobicContact CB-CE2 4.13Å; I121-Y166 WeakPolarHBondContact CB-OH 3.48Å; I121-Y166 HydrophobicContact CD1-CD1 3.97Å; I121-Y166 HydrophobicContact CD1-CE1 3.68Å; I121-Y166 HydrophobicContact CG1-CD1 3.97Å; I121-Y166 HydrophobicContact CG1-CD2 4.47Å; I121-Y166 HydrophobicContact CG1-CE1 3.64Å; I121-Y166 HydrophobicContact CG1-CE2 4.19Å; I121-Y166 HydrophobicContact CG1-CG 4.36Å; I121-Y166 PolarHBondContact N-OH 3.46Å; Y124-Y166 AromaticContact CD1-CD2 3.95Å; Y124-Y166 HydrophobicContact CD1-CD2 3.95Å; Y124-Y166 AromaticContact CD2-CD2 3.46Å; Y124-Y166 HydrophobicContact CD2-CD2 3.46Å; Y124-Y166 VanDerWaalsContact CD2-CD2 3.46Å; Y124-Y166 AromaticContact CD2-CE2 3.44Å; Y124-Y166 HydrophobicContact CD2-CE2 3.44Å; Y124-Y166 VanDerWaalsContact CD2-CE2 3.44Å; Y124-Y166 HydrophobicContact CE1-CD2 4.37Å; Y124-Y166 AromaticContact CE2-CD2 3.93Å; Y124-Y166 HydrophobicContact CE2-CD2 3.93Å; Y124-Y166 AromaticContact CE2-CE2 3.71Å; Y124-Y166 HydrophobicContact CE2-CE2 3.71Å; Y124-Y166 AromaticContact CG-CD2 3.49Å; Y124-Y166 HydrophobicContact CG-CD2 3.49Å; Y124-Y166 VanDerWaalsContact CG-CD2 3.49Å; Y124-Y166 AromaticContact CG-CE2 3.99Å; Y124-Y166 HydrophobicContact CG-CE2 3.99Å; I127-Y166 HydrophobicContact CD1-CD1 4.27Å; I127-Y166 HydrophobicContact CD1-CD2 4.3Å; I127-Y166 HydrophobicContact CD1-CG 3.84Å; Y128-Y166 PolarHBondContact N-O 3.41Å; F129-Y166 PolarHBondContact N-O 3.14Å; F129-Y166 CarbonylContact O-C 3.56Å; F129-Y166 WeakPolarHBondContact O-CA 3.4Å; I130-Y166 HydrophobicContact CG2-CD1 4.32Å; H163-Y166 AromaticContact CE1-CD1 3.4Å; H163-Y166 VanDerWaalsContact CE1-CD1 3.4Å; H163-Y166 WeakPolarHBondContact CE1-CD1 3.38Å; H163-Y166 AromaticContact CE1-CD2 3.81Å; H163-Y166 AromaticContact CE1-CE1 3.24Å; H163-Y166 WeakPolarHBondContact CE1-CE1 3.28Å; H163-Y166 AromaticContact CE1-CE2 3.65Å; H163-Y166 AromaticContact CE1-CG 3.7Å; H163-Y166 AromaticContact CE1-CZ 3.38Å; H163-Y166 WeakPolarHBondContact ND1-CA 3.3Å; H163-Y166 AromaticContact ND1-CD1 3.34Å; H163-Y166 VanDerWaalsContact ND1-CD1 3.34Å; H163-Y166 WeakPolarHBondContact ND1-CD1 3.32Å; H163-Y166 AromaticContact ND1-CD2 3.9Å; H163-Y166 AromaticContact ND1-CE1 3.71Å; H163-Y166 AromaticContact ND1-CG 3.47Å; H163-Y166 PolarHBondContact ND1-N 3.09Å; H163-Y166 VanDerWaalsContact ND1-N 3.14Å; H163-Y166 AromaticContact NE2-CE1 3.86Å; V164-Y166 PolarHBondContact O-N 3.47Å
167	R	97.9	Very high	94.6	Very high	37 Å²	37	38 Å²	38	14%	0.14	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-44.2	-174.7	176.1	176.3	169.2	-167.7	-7.1	113.3	Y128 V164 A165 D187 H188 K189 D235	Y128-R167 HydrophobicContact CD2-CB 4.11Å; Y128-R167 HydrophobicContact CD2-CG 4.06Å; V164-R167 PolarHBondContact O-N 3.13Å; V164-R167 VanDerWaalsContact O-N 3.12Å; A165-R167 PolarHBondContact O-N 3.42Å; R167-D187 WeakPolarHBondContact CG-OD1 3.37Å; R167-D187 IonicContact CZ-OD1 3.72Å; R167-D187 IonicContact CZ-OD2 2.93Å; R167-D187 IonicContact NE-OD1 2.73Å; R167-D187 PolarHBondContact NE-OD1 3.45Å; R167-D187 IonicContact NE-OD2 2.95Å; R167-D187 PolarHBondContact NE-OD2 2.62Å; R167-D187 IonicContact NH2-OD1 3.69Å; R167-D187 IonicContact NH2-OD2 3.34Å; R167-D187 PolarHBondContact NH2-OD2 2.98Å; R167-H188 WeakPolarHBondContact O-CB 3.23Å; R167-H188 PolarHBondContact O-N 3.25Å; R167-H188 VanDerWaalsContact O-N 3.07Å; R167-K189 HydrophobicContact CG-CB 4.23Å; R167-D235 IonicContact CZ-OD2 2.67Å; R167-D235 IonicContact NH1-OD2 3.47Å; R167-D235 PolarHBondContact NH1-OD2 2.83Å
168	Y	98.2	Very high	94.3	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.4	-174	-56	-80.3	0	0	0	110	H163 V164 F186 D187 V194 D235 F237 T246	H163-Y168 CarbonylContact C-O 3.54Å; H163-Y168 WeakPolarHBondContact CA-O 3.42Å; V164-Y168 PolarHBondContact N-O 2.96Å; V164-Y168 PolarHBondContact O-N 3.18Å; Y168-F186 WeakPolarHBondContact CA-O 3.44Å; Y168-D187 HydrophobicContact CD1-CB 3.85Å; Y168-D187 HydrophobicContact CE1-CB 3.77Å; Y168-V194 HydrophobicContact CD1-CG2 3.93Å; Y168-V194 HydrophobicContact CE1-CG2 4.11Å; Y168-D235 PolarHBondContact OH-OD2 2.62Å; Y168-F237 HydrophobicContact CD2-CE1 4.07Å; Y168-F237 AromaticContact CD2-CZ 3.72Å; Y168-F237 HydrophobicContact CD2-CZ 3.72Å; Y168-F237 HydrophobicContact CE2-CD1 4.36Å; Y168-F237 AromaticContact CE2-CE1 3.33Å; Y168-F237 HydrophobicContact CE2-CE1 3.33Å; Y168-F237 AromaticContact CE2-CZ 3.48Å; Y168-F237 HydrophobicContact CE2-CZ 3.48Å; Y168-F237 VanDerWaalsContact CE2-CZ 3.48Å; Y168-F237 AromaticContact CZ-CE1 4Å; Y168-T246 HydrophobicContact CD1-CG2 4.36Å; Y168-T246 HydrophobicContact CE1-CG2 3.75Å; Y168-T246 HydrophobicContact CE2-CG2 4.2Å
169	E	97.8	Very high	94	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.4	172.6	175.1	172	-152.7	0	0	109.8	F129 R161 L171 A185 F186 H188 R537	F129-E169 HydrophobicContact CD1-CB 3.76Å; F129-E169 HydrophobicContact CD1-CG 4.39Å; F129-E169 HydrophobicContact CE1-CB 3.46Å; F129-E169 VanDerWaalsContact CE1-CB 3.46Å; F129-E169 HydrophobicContact CE1-CG 3.6Å; F129-E169 HydrophobicContact CE2-CB 4.46Å; F129-E169 HydrophobicContact CE2-CG 4.39Å; F129-E169 HydrophobicContact CG-CB 4.37Å; F129-E169 HydrophobicContact CZ-CB 3.83Å; F129-E169 VanDerWaalsContact CZ-CD 3.47Å; F129-E169 HydrophobicContact CZ-CG 3.58Å; F129-E169 WeakPolarHBondContact CZ-OE1 3.44Å; R161-E169 IonicContact CZ-OE1 3.18Å; R161-E169 IonicContact NE-OE1 3.99Å; R161-E169 PolarHBondContact NE-OE1 3.04Å; R161-E169 IonicContact NH2-OE1 2.96Å; R161-E169 PolarHBondContact NH2-OE1 2.74Å; R161-E169 IonicContact NH2-OE2 2.98Å; E169-L171 HydrophobicContact CG-CD2 4.04Å; E169-L171 PolarHBondContact O-N 2.79Å; E169-A185 CarbonylContact O-C 3.55Å; E169-A185 WeakPolarHBondContact O-CA 3.36Å; E169-A185 WeakPolarHBondContact O-CB 3.36Å; E169-F186 HydrophobicContact CB-CB 4.29Å; E169-F186 PolarHBondContact N-O 2.9Å; E169-F186 PolarHBondContact O-N 2.82Å; E169-H188 WeakPolarHBondContact CB-NE2 3.33Å; E169-H188 IonicContact OE2-CE1 2.82Å; E169-H188 IonicContact OE2-NE2 3.89Å; E169-H188 PolarHBondContact OE2-NE2 2.8Å; E169-R537 IonicContact OE2-NH2 3.95Å
170	V	97.1	Very high	94.1	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.036	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.3	179.3	178.1	0	0	0	0	109.7	L158 R161 D162 V164 V183	L158-V170 HydrophobicContact CD2-CG1 4.16Å; L158-V170 HydrophobicContact CD2-CG2 4.29Å; R161-V170 VanDerWaalsContact CA-O 3.23Å; R161-V170 WeakPolarHBondContact CA-O 3.39Å; R161-V170 PolarHBondContact N-O 2.93Å; D162-V170 PolarHBondContact O-N 2.95Å; V164-V170 HydrophobicContact CG2-CG2 3.84Å; V170-V183 HydrophobicContact CG1-CB 4.42Å; V170-V183 HydrophobicContact CG1-CG1 4.39Å; V170-V183 HydrophobicContact CG1-CG2 4.43Å
171	L	96.3	Very high	94.3	Very high	55 Å²	55	32.6 Å²	32.6	29%	0.288	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-58.8	179.7	-58.1	179.4	0	0	0	112.4	E169 K184 F186	E169-L171 HydrophobicContact CG-CD2 4.04Å; E169-L171 PolarHBondContact O-N 2.79Å; L171-K184 WeakPolarHBondContact CA-O 3.24Å; L171-K184 VanDerWaalsContact CB-O 3.31Å; L171-K184 WeakPolarHBondContact CB-O 3.26Å; L171-K184 HydrophobicContact CD1-CD 4.5Å; L171-K184 HydrophobicContact CD1-CG 4.28Å; L171-K184 PolarHBondContact N-O 2.93Å; L171-F186 HydrophobicContact CD1-CB 4.19Å
172	K	95.4	Very high	94.4	Very high	118 Å²	118	28.4 Å²	28.4	51%	0.513	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139	-173.4	-174.5	-179.3	177.8	-179.8	0	110.3	F28 I174 V183 K184	F28-K172 HydrophobicContact CE1-CD 4.17Å; K172-I174 PolarHBondContact O-N 2.92Å; K172-V183 CarbonylContact O-C 3.48Å; K172-V183 VanDerWaalsContact O-CA 3.3Å; K172-V183 WeakPolarHBondContact O-CA 3.28Å; K172-K184 PolarHBondContact N-O 2.8Å; K172-K184 PolarHBondContact O-N 2.79Å
173	V	94.8	Very high	94.4	Very high	49 Å²	49	28.2 Å²	28.2	30%	0.297	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	124.8	167.6	179.4	0	0	0	0	109.4	F28 L158 K176 V183	F28-V173 WeakPolarHBondContact CD1-O 3.46Å; F28-V173 WeakPolarHBondContact CE1-O 3.49Å; L158-V173 HydrophobicContact CD1-CG2 3.84Å; V173-K176 HydrophobicContact CG1-CD 4.3Å; V173-K176 HydrophobicContact CG1-CG 3.7Å; V173-V183 HydrophobicContact CG2-CG1 4.25Å
174	I	93.2	Very high	94.5	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.138	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-18.6	177.4	68.5	175.8	0	0	0	114.5	L27 F28 K172 V182 K184 A195 L249	L27-I174 WeakPolarHBondContact CD2-O 3.23Å; F28-I174 WeakPolarHBondContact CD2-O 3.14Å; F28-I174 HydrophobicContact CE1-CB 3.73Å; F28-I174 HydrophobicContact CE1-CG2 3.58Å; F28-I174 HydrophobicContact CE2-CB 3.82Å; F28-I174 HydrophobicContact CE2-CG2 4.35Å; F28-I174 WeakPolarHBondContact CE2-O 3.37Å; F28-I174 HydrophobicContact CZ-CB 3.15Å; F28-I174 HydrophobicContact CZ-CG2 3.26Å; K172-I174 PolarHBondContact O-N 2.92Å; I174-V182 HydrophobicContact CD1-CG1 3.79Å; I174-V182 HydrophobicContact CG1-CB 3.95Å; I174-V182 HydrophobicContact CG1-CG1 3.64Å; I174-V182 WeakPolarHBondContact CG1-O 3.29Å; I174-V182 PolarHBondContact N-O 3.21Å; I174-K184 HydrophobicContact CG2-CB 3.64Å; I174-A195 HydrophobicContact CD1-CB 3.87Å; I174-L249 HydrophobicContact CD1-CD1 4Å
175	G	88.7	Confident	94.5	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	155.6	169.8	0	0	0	0	0	113.6	Q181 V182	G175-Q181 CarbonylContact O-C 3.56Å; G175-Q181 WeakPolarHBondContact O-CA 3.43Å; G175-V182 PolarHBondContact N-O 3.42Å; G175-V182 PolarHBondContact O-N 2.92Å
176	K	89.3	Confident	94.5	Very high	116 Å²	116	32.9 Å²	32.9	50%	0.504	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.7	171.6	-56.9	-161.3	-177.3	-156.9	0	108.8	V173 Q181	V173-K176 HydrophobicContact CG1-CD 4.3Å; V173-K176 HydrophobicContact CG1-CG 3.7Å; K176-Q181 HydrophobicContact CD-CG 4.17Å; K176-Q181 HydrophobicContact CG-CG 4.01Å
177	G	87	Confident	94.5	Very high	16 Å²	16	33 Å²	33	17%	0.165	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-176.7	178.4	0	0	0	0	0	111	F155 F179 G180	F155-G177 VanDerWaalsContact CE1-O 3.28Å; F155-G177 WeakPolarHBondContact CE1-O 3.5Å; G177-F179 PolarHBondContact O-N 2.74Å; G177-G180 PolarHBondContact N-O 2.99Å; G177-G180 PolarHBondContact O-N 3.04Å; G177-G180 VanDerWaalsContact O-N 3.14Å; G177-G180 VanDerWaalsContact O-O 3.08Å
178	S	86.9	Confident	94.5	Very high	75 Å²	75	32.7 Å²	32.7	52%	0.524	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.2	177	47.7	0	0	0	0	112.8	G180 F205	S178-G180 VanDerWaalsContact C-N 3.29Å; S178-G180 PolarHBondContact O-N 3.5Å; S178-F205 WeakPolarHBondContact O-CE1 3.13Å; S178-F205 WeakPolarHBondContact O-CE2 3.19Å; S178-F205 WeakPolarHBondContact O-CZ 3.46Å
179	F	88	Confident	94.4	Very high	32 Å²	32	37.1 Å²	37.1	14%	0.14	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.5	179.6	64.6	-99.8	0	0	0	114.6	G177 V182 K197 V199 R200 F205	G177-F179 PolarHBondContact O-N 2.74Å; F179-V182 HydrophobicContact CE2-CG2 3.8Å; F179-V182 HydrophobicContact CZ-CG2 3.98Å; F179-K197 HydrophobicContact CD2-CD 4.44Å; F179-K197 VanDerWaalsContact CD2-CE 3.41Å; F179-K197 HydrophobicContact CD2-CG 4.31Å; F179-K197 HydrophobicContact CE2-CD 4.37Å; F179-K197 HydrophobicContact CE2-CG 4.11Å; F179-V199 WeakPolarHBondContact O-CA 3.41Å; F179-R200 PolarHBondContact O-N 3.37Å; F179-F205 HydrophobicContact CB-CD1 4.32Å; F179-F205 HydrophobicContact CB-CE1 4.43Å
180	G	93.1	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-144.5	-170.4	0	0	0	0	0	113.1	F155 G177 S178 I198	F155-G180 VanDerWaalsContact CE1-CA 3.5Å; G177-G180 PolarHBondContact N-O 2.99Å; G177-G180 PolarHBondContact O-N 3.04Å; G177-G180 VanDerWaalsContact O-N 3.14Å; G177-G180 VanDerWaalsContact O-O 3.08Å; S178-G180 VanDerWaalsContact C-N 3.29Å; S178-G180 PolarHBondContact O-N 3.5Å; G180-I198 WeakPolarHBondContact CA-O 3.4Å
181	Q	95.5	Very high	94.3	Very high	12 Å²	12	44 Å²	44	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.5	-174.8	-59	178.7	92	0	0	110.6	F155 Y156 L158 G175 K176 K197 I198	F155-Q181 HydrophobicContact CD1-CG 3.96Å; Y156-Q181 PolarHBondContact O-NE2 2.62Å; L158-Q181 HydrophobicContact CD1-CB 4.13Å; G175-Q181 CarbonylContact O-C 3.56Å; G175-Q181 WeakPolarHBondContact O-CA 3.43Å; K176-Q181 HydrophobicContact CD-CG 4.17Å; K176-Q181 HydrophobicContact CG-CG 4.01Å; Q181-K197 CarbonylContact O-C 3.52Å; Q181-K197 WeakPolarHBondContact O-CA 3.26Å; Q181-I198 PolarHBondContact N-O 2.92Å; Q181-I198 PolarHBondContact O-N 3.3Å
182	V	96.7	Very high	94.3	Very high	25 Å²	25	47.6 Å²	47.6	15%	0.152	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	170.8	-169.1	0	0	0	0	107.6	I174 G175 F179 A195 L196 K197	I174-V182 HydrophobicContact CD1-CG1 3.79Å; I174-V182 HydrophobicContact CG1-CB 3.95Å; I174-V182 HydrophobicContact CG1-CG1 3.64Å; I174-V182 WeakPolarHBondContact CG1-O 3.29Å; I174-V182 PolarHBondContact N-O 3.21Å; G175-V182 PolarHBondContact N-O 3.42Å; G175-V182 PolarHBondContact O-N 2.92Å; F179-V182 HydrophobicContact CE2-CG2 3.8Å; F179-V182 HydrophobicContact CZ-CG2 3.98Å; V182-A195 HydrophobicContact CG1-CB 4.19Å; V182-L196 CarbonylContact C-O 3.47Å; V182-L196 VanDerWaalsContact CA-O 3.31Å; V182-L196 WeakPolarHBondContact CA-O 3.4Å; V182-K197 HydrophobicContact CG2-CB 4.26Å; V182-K197 HydrophobicContact CG2-CG 4.21Å
183	V	97.4	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.5	177.8	-56.3	0	0	0	0	110.7	L158 V170 K172 V173 A185 A195 L196 I198	L158-V183 HydrophobicContact CD1-CG1 3.37Å; L158-V183 HydrophobicContact CD2-CG1 3.95Å; L158-V183 HydrophobicContact CG-CG1 4.32Å; V170-V183 HydrophobicContact CG1-CB 4.42Å; V170-V183 HydrophobicContact CG1-CG1 4.39Å; V170-V183 HydrophobicContact CG1-CG2 4.43Å; K172-V183 CarbonylContact O-C 3.48Å; K172-V183 VanDerWaalsContact O-CA 3.3Å; K172-V183 WeakPolarHBondContact O-CA 3.28Å; V173-V183 HydrophobicContact CG2-CG1 4.25Å; V183-A185 HydrophobicContact CG2-CB 4.36Å; V183-A185 PolarHBondContact O-N 3.14Å; V183-A195 CarbonylContact O-C 3.58Å; V183-L196 HydrophobicContact CG2-CB 3.79Å; V183-L196 HydrophobicContact CG2-CD2 3.93Å; V183-L196 HydrophobicContact CG2-CG 4.05Å; V183-L196 PolarHBondContact N-O 2.77Å; V183-L196 PolarHBondContact O-N 2.96Å; V183-I198 HydrophobicContact CG2-CD1 4.49Å
184	K	97.9	Very high	94.5	Very high	77 Å²	77	42 Å²	42	34%	0.335	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.6	159.1	-179.7	177.6	179.7	177.8	0	106.1	L171 K172 I174 C193 V194 L249	L171-K184 WeakPolarHBondContact CA-O 3.24Å; L171-K184 VanDerWaalsContact CB-O 3.31Å; L171-K184 WeakPolarHBondContact CB-O 3.26Å; L171-K184 HydrophobicContact CD1-CD 4.5Å; L171-K184 HydrophobicContact CD1-CG 4.28Å; L171-K184 PolarHBondContact N-O 2.93Å; K172-K184 PolarHBondContact N-O 2.8Å; K172-K184 PolarHBondContact O-N 2.79Å; I174-K184 HydrophobicContact CG2-CB 3.64Å; K184-C193 WeakPolarHBondContact CE-SG 3.43Å; K184-V194 WeakPolarHBondContact CA-O 3.31Å; K184-L249 HydrophobicContact CD-CD2 3.93Å; K184-L249 HydrophobicContact CG-CD1 4.47Å; K184-L249 HydrophobicContact CG-CD2 3.98Å
185	A	98.3	Very high	94.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	154.3	176	0	0	0	0	0	110.6	E169 V183 C193 V194 L196	E169-A185 CarbonylContact O-C 3.55Å; E169-A185 WeakPolarHBondContact O-CA 3.36Å; E169-A185 WeakPolarHBondContact O-CB 3.36Å; V183-A185 HydrophobicContact CG2-CB 4.36Å; V183-A185 PolarHBondContact O-N 3.14Å; A185-C193 CarbonylContact O-C 3.47Å; A185-C193 WeakPolarHBondContact O-CA 3.09Å; A185-V194 HydrophobicContact CB-CG2 4.12Å; A185-V194 PolarHBondContact N-O 2.75Å; A185-V194 PolarHBondContact O-N 2.87Å; A185-L196 HydrophobicContact CB-CB 4.14Å; A185-L196 HydrophobicContact CB-CD2 4.26Å
186	F	98.1	Very high	95.2	Very high	35 Å²	35	41.1 Å²	41.1	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.1	169.7	-170.5	-101.5	0	0	0	109.2	Y168 E169 L171 H188 Q191	Y168-F186 WeakPolarHBondContact CA-O 3.44Å; E169-F186 HydrophobicContact CB-CB 4.29Å; E169-F186 PolarHBondContact N-O 2.9Å; E169-F186 PolarHBondContact O-N 2.82Å; L171-F186 HydrophobicContact CD1-CB 4.19Å; F186-H188 AromaticContact CD1-CD2 3.77Å; F186-H188 AromaticContact CD1-CE1 3.94Å; F186-H188 AromaticContact CD1-NE2 3.7Å; F186-H188 PolarHBondContact O-N 2.78Å; F186-Q191 HydrophobicContact CZ-CB 4.25Å
187	D	98.1	Very high	95.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106.5	175.6	179.7	-0.8	0	0	0	109.4	R167 Y168 K189 T190 Q191 K192 V194	R167-D187 WeakPolarHBondContact CG-OD1 3.37Å; R167-D187 IonicContact CZ-OD1 3.72Å; R167-D187 IonicContact CZ-OD2 2.93Å; R167-D187 IonicContact NE-OD1 2.73Å; R167-D187 PolarHBondContact NE-OD1 3.45Å; R167-D187 IonicContact NE-OD2 2.95Å; R167-D187 PolarHBondContact NE-OD2 2.62Å; R167-D187 IonicContact NH2-OD1 3.69Å; R167-D187 IonicContact NH2-OD2 3.34Å; R167-D187 PolarHBondContact NH2-OD2 2.98Å; Y168-D187 HydrophobicContact CD1-CB 3.85Å; Y168-D187 HydrophobicContact CE1-CB 3.77Å; D187-K189 PolarHBondContact O-N 3.48Å; D187-K189 VanDerWaalsContact OD1-CB 3.28Å; D187-K189 WeakPolarHBondContact OD1-CB 3.45Å; D187-K189 PolarHBondContact OD1-N 2.97Å; D187-T190 WeakPolarHBondContact CB-OG1 3.47Å; D187-T190 PolarHBondContact O-N 3.32Å; D187-T190 PolarHBondContact OD1-N 3.32Å; D187-T190 VanDerWaalsContact OD2-CG2 3.31Å; D187-T190 WeakPolarHBondContact OD2-CG2 3.28Å; D187-T190 PolarHBondContact OD2-OG1 2.84Å; D187-Q191 VanDerWaalsContact O-CA 3.26Å; D187-Q191 WeakPolarHBondContact O-CA 3.49Å; D187-Q191 PolarHBondContact O-N 3.44Å; D187-K192 PolarHBondContact N-O 2.91Å; D187-V194 HydrophobicContact CB-CG1 4.21Å; D187-V194 HydrophobicContact CB-CG2 4.49Å
188	H	96.6	Very high	96.2	Very high	30 Å²	30	35.6 Å²	35.6	14%	0.139	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.8	-179.7	-76.5	-97.7	0	0	0	113.5	F129 R167 E169 F186 Q191	F129-H188 HydrophobicContact CB-CB 4.08Å; F129-H188 AromaticContact CD2-CD2 3.81Å; F129-H188 AromaticContact CD2-CE1 3.52Å; F129-H188 AromaticContact CD2-NE2 3.33Å; F129-H188 VanDerWaalsContact CD2-NE2 3.33Å; F129-H188 WeakPolarHBondContact CD2-NE2 3.46Å; F129-H188 AromaticContact CE2-NE2 3.76Å; F129-H188 AromaticContact CG-CD2 3.56Å; F129-H188 AromaticContact CG-NE2 3.55Å; R167-H188 WeakPolarHBondContact O-CB 3.23Å; R167-H188 PolarHBondContact O-N 3.25Å; R167-H188 VanDerWaalsContact O-N 3.07Å; E169-H188 WeakPolarHBondContact CB-NE2 3.33Å; E169-H188 IonicContact OE2-CE1 2.82Å; E169-H188 IonicContact OE2-NE2 3.89Å; E169-H188 PolarHBondContact OE2-NE2 2.8Å; F186-H188 AromaticContact CD1-CD2 3.77Å; F186-H188 AromaticContact CD1-CE1 3.94Å; F186-H188 AromaticContact CD1-NE2 3.7Å; F186-H188 PolarHBondContact O-N 2.78Å; H188-Q191 PolarHBondContact O-NE2 3.42Å
189	K	96.2	Very high	96.7	Very high	94 Å²	94	32 Å²	32	41%	0.409	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-51.2	171.8	-179.8	175.9	-175.9	160.7	0	111.3	Y128 R167 D187	Y128-K189 HydrophobicContact CD1-CB 3.84Å; Y128-K189 HydrophobicContact CD1-CG 4.32Å; Y128-K189 HydrophobicContact CD2-CB 4.28Å; Y128-K189 HydrophobicContact CE1-CB 3.66Å; Y128-K189 HydrophobicContact CE1-CD 4.21Å; Y128-K189 HydrophobicContact CE1-CG 3.63Å; Y128-K189 HydrophobicContact CE2-CB 4.11Å; Y128-K189 HydrophobicContact CE2-CD 4.04Å; Y128-K189 HydrophobicContact CE2-CG 4.26Å; Y128-K189 HydrophobicContact CG-CB 4.14Å; Y128-K189 WeakPolarHBondContact OH-CD 3.32Å; Y128-K189 WeakPolarHBondContact OH-CE 3.36Å; R167-K189 HydrophobicContact CG-CB 4.23Å; D187-K189 PolarHBondContact O-N 3.48Å; D187-K189 VanDerWaalsContact OD1-CB 3.28Å; D187-K189 WeakPolarHBondContact OD1-CB 3.45Å; D187-K189 PolarHBondContact OD1-N 2.97Å
190	T	95.8	Very high	97.1	Very high	66 Å²	66	32.4 Å²	32.4	41%	0.405	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.6	-174.2	63.1	0	0	0	0	113.9	D187 K192	D187-T190 WeakPolarHBondContact CB-OG1 3.47Å; D187-T190 PolarHBondContact O-N 3.32Å; D187-T190 PolarHBondContact OD1-N 3.32Å; D187-T190 VanDerWaalsContact OD2-CG2 3.31Å; D187-T190 WeakPolarHBondContact OD2-CG2 3.28Å; D187-T190 PolarHBondContact OD2-OG1 2.84Å; T190-K192 PolarHBondContact O-N 2.8Å
191	Q	96.2	Very high	97.3	Very high	89 Å²	89	34.1 Å²	34.1	42%	0.416	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	34.4	-177	-60.5	-68.9	-54.6	0	0	113.2	F186 D187 H188	F186-Q191 HydrophobicContact CZ-CB 4.25Å; D187-Q191 VanDerWaalsContact O-CA 3.26Å; D187-Q191 WeakPolarHBondContact O-CA 3.49Å; D187-Q191 PolarHBondContact O-N 3.44Å; H188-Q191 PolarHBondContact O-NE2 3.42Å
192	K	96.4	Very high	97.2	Very high	132 Å²	132	36.9 Å²	36.9	57%	0.574	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.6	-180	-68.5	-175.9	-178.4	-172.1	0	111.5	D187 T190	D187-K192 PolarHBondContact N-O 2.91Å; T190-K192 PolarHBondContact O-N 2.8Å
193	C	97.8	Very high	97.1	Very high	46 Å²	46	44 Å²	44	31%	0.311	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.7	168.3	-70.2	0	0	0	0	110.3	K184 A185 L249	K184-C193 WeakPolarHBondContact CE-SG 3.43Å; A185-C193 CarbonylContact O-C 3.47Å; A185-C193 WeakPolarHBondContact O-CA 3.09Å; C193-L249 HydrophobicContact CB-CD2 3.71Å
194	V	98.3	Very high	96.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	160.4	178.9	-61	0	0	0	0	110.5	Y168 K184 A185 D187 L234 T246 F247	Y168-V194 HydrophobicContact CD1-CG2 3.93Å; Y168-V194 HydrophobicContact CE1-CG2 4.11Å; K184-V194 WeakPolarHBondContact CA-O 3.31Å; A185-V194 HydrophobicContact CB-CG2 4.12Å; A185-V194 PolarHBondContact N-O 2.75Å; A185-V194 PolarHBondContact O-N 2.87Å; D187-V194 HydrophobicContact CB-CG1 4.21Å; D187-V194 HydrophobicContact CB-CG2 4.49Å; V194-L234 HydrophobicContact CB-CD1 4.49Å; V194-L234 HydrophobicContact CG1-CD1 3.73Å; V194-T246 HydrophobicContact CG2-CG2 4.47Å; V194-F247 WeakPolarHBondContact CB-O 3.5Å
195	A	98.4	Very high	96.6	Very high	11 Å²	11	46.4 Å²	46.4	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.2	163.5	0	0	0	0	0	108.8	I174 V182 V183 T246 F247 L249	I174-A195 HydrophobicContact CD1-CB 3.87Å; V182-A195 HydrophobicContact CG1-CB 4.19Å; V183-A195 CarbonylContact O-C 3.58Å; A195-T246 CarbonylContact O-C 3.48Å; A195-T246 WeakPolarHBondContact O-CA 3.42Å; A195-F247 HydrophobicContact CB-CB 4.3Å; A195-F247 PolarHBondContact N-O 3.38Å; A195-F247 PolarHBondContact O-N 2.57Å; A195-L249 HydrophobicContact CB-CD1 4.09Å
196	L	98.3	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.4	-179.2	168	64.3	0	0	0	109.3	V164 V182 V183 A185 I198 F237 C244 T246	V164-L196 HydrophobicContact CB-CD2 3.98Å; V164-L196 HydrophobicContact CG1-CD2 3.96Å; V164-L196 HydrophobicContact CG2-CD2 4.05Å; V182-L196 CarbonylContact C-O 3.47Å; V182-L196 VanDerWaalsContact CA-O 3.31Å; V182-L196 WeakPolarHBondContact CA-O 3.4Å; V183-L196 HydrophobicContact CG2-CB 3.79Å; V183-L196 HydrophobicContact CG2-CD2 3.93Å; V183-L196 HydrophobicContact CG2-CG 4.05Å; V183-L196 PolarHBondContact N-O 2.77Å; V183-L196 PolarHBondContact O-N 2.96Å; A185-L196 HydrophobicContact CB-CB 4.14Å; A185-L196 HydrophobicContact CB-CD2 4.26Å; L196-I198 HydrophobicContact CD1-CG1 4.39Å; L196-I198 HydrophobicContact CD2-CD1 4.19Å; L196-I198 HydrophobicContact CD2-CG1 4.34Å; L196-I198 HydrophobicContact CG-CD1 4.31Å; L196-I198 HydrophobicContact CG-CG1 4Å; L196-F237 HydrophobicContact CD1-CZ 4.04Å; L196-C244 HydrophobicContact CD1-CB 4.04Å; L196-T246 HydrophobicContact CB-CG2 4.37Å; L196-T246 HydrophobicContact CD1-CG2 3.65Å
197	K	98	Very high	96.2	Very high	10 Å²	10	55 Å²	55	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120	173.3	-175.5	-179.8	-169.2	179.4	0	108.7	F179 Q181 V182 V199 E212 C244 I245 F247 D314	F179-K197 HydrophobicContact CD2-CD 4.44Å; F179-K197 VanDerWaalsContact CD2-CE 3.41Å; F179-K197 HydrophobicContact CD2-CG 4.31Å; F179-K197 HydrophobicContact CE2-CD 4.37Å; F179-K197 HydrophobicContact CE2-CG 4.11Å; Q181-K197 CarbonylContact O-C 3.52Å; Q181-K197 WeakPolarHBondContact O-CA 3.26Å; V182-K197 HydrophobicContact CG2-CB 4.26Å; V182-K197 HydrophobicContact CG2-CG 4.21Å; K197-V199 HydrophobicContact CG-CG2 4.44Å; K197-E212 IonicContact NZ-OE1 3.47Å; K197-E212 PolarHBondContact NZ-OE1 3.47Å; K197-E212 IonicContact NZ-OE2 2.79Å; K197-E212 PolarHBondContact NZ-OE2 2.84Å; K197-C244 CarbonylContact O-C 3.51Å; K197-C244 VanDerWaalsContact O-CA 3.26Å; K197-C244 WeakPolarHBondContact O-CA 3.26Å; K197-I245 HydrophobicContact CB-CB 4.46Å; K197-I245 PolarHBondContact N-O 2.94Å; K197-I245 PolarHBondContact O-N 3.34Å; K197-F247 HydrophobicContact CB-CD2 4.49Å; K197-F247 HydrophobicContact CB-CE2 3.93Å; K197-F247 HydrophobicContact CD-CE2 4.16Å; K197-D314 IonicContact NZ-OD1 3.06Å
198	I	98.2	Very high	95.9	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.9	175.8	-59.1	163.2	0	0	0	106.9	Y156 L158 V164 G180 Q181 V183 L196 H242	Y156-I198 HydrophobicContact CD1-CD1 4.4Å; Y156-I198 HydrophobicContact CG-CG2 4.3Å; L158-I198 HydrophobicContact CD2-CD1 3.69Å; V164-I198 HydrophobicContact CG2-CD1 4.44Å; G180-I198 WeakPolarHBondContact CA-O 3.4Å; Q181-I198 PolarHBondContact N-O 2.92Å; Q181-I198 PolarHBondContact O-N 3.3Å; V183-I198 HydrophobicContact CG2-CD1 4.49Å; L196-I198 HydrophobicContact CD1-CG1 4.39Å; L196-I198 HydrophobicContact CD2-CD1 4.19Å; L196-I198 HydrophobicContact CD2-CG1 4.34Å; L196-I198 HydrophobicContact CG-CD1 4.31Å; L196-I198 HydrophobicContact CG-CG1 4Å; I198-H242 HydrophobicContact CG2-CB 3.74Å
199	V	97.6	Very high	95.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.7	-171.9	178.8	0	0	0	0	109.9	F179 K197 N201 F205 T209 H242 K243	F179-V199 WeakPolarHBondContact O-CA 3.41Å; K197-V199 HydrophobicContact CG-CG2 4.44Å; V199-N201 PolarHBondContact O-N 2.94Å; V199-F205 HydrophobicContact CG1-CB 3.66Å; V199-T209 WeakPolarHBondContact CG1-OG1 3.32Å; V199-T209 HydrophobicContact CG2-CG2 3.9Å; V199-T209 WeakPolarHBondContact CG2-OG1 3.47Å; V199-H242 PolarHBondContact O-ND1 2.77Å; V199-K243 HydrophobicContact CB-CB 4.28Å; V199-K243 VanDerWaalsContact CB-O 3.28Å; V199-K243 WeakPolarHBondContact CB-O 3.3Å; V199-K243 HydrophobicContact CG2-CB 4.37Å; V199-K243 VanDerWaalsContact CG2-O 3.29Å; V199-K243 WeakPolarHBondContact CG2-O 3.38Å; V199-K243 PolarHBondContact N-O 2.9Å
200	R	96.8	Very high	95.8	Very high	40 Å²	40	53.7 Å²	53.7	15%	0.151	25%	0.247	C	C	.	.			trans	-52.1	135	174.3	-172.8	-179.7	167.1	150.5	9.3	110.3	D153 G154 F179 E202 F205	D153-R200 PolarHBondContact O-NE 2.91Å; D153-R200 PolarHBondContact O-NH2 2.89Å; D153-R200 IonicContact OD1-CZ 3.93Å; D153-R200 IonicContact OD1-NH1 3.48Å; D153-R200 IonicContact OD1-NH2 2.73Å; D153-R200 PolarHBondContact OD1-NH2 2.91Å; G154-R200 WeakPolarHBondContact O-CA 3.46Å; G154-R200 WeakPolarHBondContact O-CG 3.47Å; F179-R200 PolarHBondContact O-N 3.37Å; R200-E202 HydrophobicContact CG-CG 4.21Å; R200-E202 IonicContact CZ-OE1 3.76Å; R200-E202 IonicContact NE-OE1 2.88Å; R200-E202 PolarHBondContact NE-OE1 3.49Å; R200-E202 IonicContact NH2-OE1 3.27Å; R200-E202 PolarHBondContact NH2-OE1 3.05Å; R200-E202 PolarHBondContact O-N 3.24Å; R200-F205 HydrophobicContact CB-CD2 4.01Å; R200-F205 HydrophobicContact CG-CD2 4.3Å
201	N	96.4	Very high	95.7	Very high	37 Å²	37	52.7 Å²	52.7	20%	0.198	24%	0.24	C	C	.	.	S	Bend	trans	-75.3	67.6	-175.4	-172.3	12	0	0	0	111.6	D150 G154 V199	D150-N201 VanDerWaalsContact OD2-CB 3.24Å; D150-N201 WeakPolarHBondContact OD2-CB 3.48Å; D150-N201 PolarHBondContact OD2-ND2 3.2Å; G154-N201 PolarHBondContact O-N 3.07Å; V199-N201 PolarHBondContact O-N 2.94Å
202	E	94.8	Very high	95.7	Very high	70 Å²	70	48.6 Å²	48.6	33%	0.327	22%	0.221	S	C	.	.			trans	-133.9	142.2	171.8	-56.4	-176.5	176.4	0	0	111.2	R200 R204 F205 H206	R200-E202 HydrophobicContact CG-CG 4.21Å; R200-E202 IonicContact CZ-OE1 3.76Å; R200-E202 IonicContact NE-OE1 2.88Å; R200-E202 PolarHBondContact NE-OE1 3.49Å; R200-E202 IonicContact NH2-OE1 3.27Å; R200-E202 PolarHBondContact NH2-OE1 3.05Å; R200-E202 PolarHBondContact O-N 3.24Å; E202-R204 PolarHBondContact O-N 2.86Å; E202-F205 HydrophobicContact CB-CD2 3.94Å; E202-F205 HydrophobicContact CG-CD2 4.27Å; E202-F205 PolarHBondContact O-N 3.23Å; E202-F205 WeakPolarHBondContact OE2-CE2 3.31Å; E202-H206 PolarHBondContact O-N 3.41Å
203	K	93.5	Very high	95.7	Very high	175 Å²	175	43 Å²	43	76%	0.761	20%	0.197	S	C	*	.	H	α-helix	trans	-52.7	-36	-178.9	-66.2	-178.5	179.7	177.2	0	113.2	R207	K203-R207 WeakPolarHBondContact O-CG 3.42Å; K203-R207 PolarHBondContact O-N 3.39Å
204	R	91.9	Very high	95.6	Very high	102 Å²	102	47.7 Å²	47.7	39%	0.385	21%	0.208	S	C	.	.	H	α-helix	trans	-66.1	-49.4	178.7	-177.9	-177.6	176.1	-177.3	-1.6	111.3	Y19 E202 H206 R207 Q208	Y19-R204 PolarHBondContact OH-NH1 3.09Å; E202-R204 PolarHBondContact O-N 2.86Å; R204-H206 VanDerWaalsContact C-N 3.33Å; R204-R207 PolarHBondContact O-N 2.86Å; R204-Q208 PolarHBondContact O-N 3.48Å
205	F	92.8	Very high	95.6	Very high	24 Å²	24	47.5 Å²	47.5	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-66	-37.9	179.1	-68.6	-64.8	0	0	0	111	S178 F179 V199 R200 E202 R207 Q208 T209	S178-F205 WeakPolarHBondContact O-CE1 3.13Å; S178-F205 WeakPolarHBondContact O-CE2 3.19Å; S178-F205 WeakPolarHBondContact O-CZ 3.46Å; F179-F205 HydrophobicContact CB-CD1 4.32Å; F179-F205 HydrophobicContact CB-CE1 4.43Å; V199-F205 HydrophobicContact CG1-CB 3.66Å; R200-F205 HydrophobicContact CB-CD2 4.01Å; R200-F205 HydrophobicContact CG-CD2 4.3Å; E202-F205 HydrophobicContact CB-CD2 3.94Å; E202-F205 HydrophobicContact CG-CD2 4.27Å; E202-F205 PolarHBondContact O-N 3.23Å; E202-F205 WeakPolarHBondContact OE2-CE2 3.31Å; F205-R207 PolarHBondContact O-N 2.81Å; F205-Q208 WeakPolarHBondContact O-CB 3.33Å; F205-Q208 PolarHBondContact O-N 2.82Å; F205-Q208 VanDerWaalsContact O-N 3.14Å; F205-T209 PolarHBondContact O-N 3.05Å; F205-T209 PolarHBondContact O-OG1 3.4Å
206	H	95.1	Very high	95.5	Very high	36 Å²	36	47.2 Å²	47.2	17%	0.167	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-47	175.2	-73.1	-172.9	0	0	0	113.2	E202 R204 Q208 T209 D210 Q241 K243	E202-H206 PolarHBondContact O-N 3.41Å; R204-H206 VanDerWaalsContact C-N 3.33Å; H206-Q208 VanDerWaalsContact C-N 3.29Å; H206-Q208 PolarHBondContact O-N 3.2Å; H206-T209 WeakPolarHBondContact O-CB 3.39Å; H206-T209 PolarHBondContact O-N 3.29Å; H206-D210 PolarHBondContact O-N 2.71Å; H206-Q241 PolarHBondContact CE1-O 2.73Å; H206-Q241 PolarHBondContact NE2-O 3.44Å; H206-K243 HydrophobicContact CB-CD 4.1Å
207	R	92.8	Very high	95.4	Very high	180 Å²	180	49.2 Å²	49.2	68%	0.679	22%	0.215	S	C	*	.	H	α-helix	trans	-61.5	-39.5	176.4	-70	176	-169.1	168.4	2	112.1	K203 R204 F205 D210 V211	K203-R207 WeakPolarHBondContact O-CG 3.42Å; K203-R207 PolarHBondContact O-N 3.39Å; R204-R207 PolarHBondContact O-N 2.86Å; F205-R207 PolarHBondContact O-N 2.81Å; R207-D210 PolarHBondContact O-N 2.87Å; R207-V211 WeakPolarHBondContact O-CG2 3.19Å; R207-V211 PolarHBondContact O-N 3.43Å
208	Q	91.3	Very high	95.3	Very high	42 Å²	42	50.6 Å²	50.6	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-41.8	177.6	-172.4	169.7	17.9	0	0	111.1	R204 F205 H206 D210 V211 E212 G316	R204-Q208 PolarHBondContact O-N 3.48Å; F205-Q208 WeakPolarHBondContact O-CB 3.33Å; F205-Q208 PolarHBondContact O-N 2.82Å; F205-Q208 VanDerWaalsContact O-N 3.14Å; H206-Q208 VanDerWaalsContact C-N 3.29Å; H206-Q208 PolarHBondContact O-N 3.2Å; Q208-D210 PolarHBondContact O-N 2.79Å; Q208-V211 WeakPolarHBondContact O-CB 3.49Å; Q208-V211 PolarHBondContact O-N 3.08Å; Q208-E212 PolarHBondContact O-N 2.84Å; Q208-G316 WeakPolarHBondContact CG-O 3.35Å; Q208-G316 PolarHBondContact NE2-O 3.47Å
209	T	95.4	Very high	95.2	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-38.1	174.6	-55	0	0	0	0	112.5	V199 F205 H206 V211 E212 I213 K243 I245	V199-T209 WeakPolarHBondContact CG1-OG1 3.32Å; V199-T209 HydrophobicContact CG2-CG2 3.9Å; V199-T209 WeakPolarHBondContact CG2-OG1 3.47Å; F205-T209 PolarHBondContact O-N 3.05Å; F205-T209 PolarHBondContact O-OG1 3.4Å; H206-T209 WeakPolarHBondContact O-CB 3.39Å; H206-T209 PolarHBondContact O-N 3.29Å; T209-V211 VanDerWaalsContact C-N 3.29Å; T209-V211 PolarHBondContact O-N 3.06Å; T209-E212 WeakPolarHBondContact O-CB 3.48Å; T209-E212 PolarHBondContact O-N 3Å; T209-I213 HydrophobicContact CG2-CD1 3.98Å; T209-I213 HydrophobicContact CG2-CG1 4.4Å; T209-I213 VanDerWaalsContact O-CG1 3.32Å; T209-I213 WeakPolarHBondContact O-CG1 3.5Å; T209-I213 PolarHBondContact O-N 3.36Å; T209-K243 HydrophobicContact CG2-CB 3.91Å; T209-K243 HydrophobicContact CG2-CD 3.95Å; T209-I245 HydrophobicContact CG2-CD1 3.72Å; T209-I245 HydrophobicContact CG2-CG1 4.18Å
210	D	95.7	Very high	95	Very high	55 Å²	55	55.1 Å²	55.1	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-36.3	175.5	-69.2	-34.6	0	0	0	112.2	H206 R207 Q208 R214 K243	H206-D210 PolarHBondContact O-N 2.71Å; R207-D210 PolarHBondContact O-N 2.87Å; Q208-D210 PolarHBondContact O-N 2.79Å; D210-R214 WeakPolarHBondContact O-CG 3.48Å; D210-R214 PolarHBondContact O-N 2.76Å; D210-R214 PolarHBondContact O-NH1 3.13Å; D210-K243 WeakPolarHBondContact OD1-CE 3.27Å; D210-K243 IonicContact OD1-NZ 3.95Å; D210-K243 PolarHBondContact OD1-NZ 3.03Å; D210-K243 WeakPolarHBondContact OD2-CE 2.91Å; D210-K243 IonicContact OD2-NZ 3.89Å; D210-K243 PolarHBondContact OD2-NZ 2.73Å
211	V	93.7	Very high	94.9	Very high	45 Å²	45	58.1 Å²	58.1	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-45.8	172.3	178	0	0	0	0	110.4	R207 Q208 T209 I213 R214 I215	R207-V211 WeakPolarHBondContact O-CG2 3.19Å; R207-V211 PolarHBondContact O-N 3.43Å; Q208-V211 WeakPolarHBondContact O-CB 3.49Å; Q208-V211 PolarHBondContact O-N 3.08Å; T209-V211 VanDerWaalsContact C-N 3.29Å; T209-V211 PolarHBondContact O-N 3.06Å; V211-I213 PolarHBondContact O-N 3.26Å; V211-R214 VanDerWaalsContact CG2-NH2 3.31Å; V211-R214 PolarHBondContact O-N 2.79Å; V211-I215 HydrophobicContact CG1-CD1 3.79Å; V211-I215 HydrophobicContact CG1-CG1 4.4Å; V211-I215 WeakPolarHBondContact O-CG1 3.11Å; V211-I215 PolarHBondContact O-N 3.34Å
212	E	95.9	Very high	94.8	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-47.6	178.5	-177.1	176	-168.8	0	0	111.8	K197 Q208 T209 R214 I215 L216 I245 F315 G316	K197-E212 IonicContact NZ-OE1 3.47Å; K197-E212 PolarHBondContact NZ-OE1 3.47Å; K197-E212 IonicContact NZ-OE2 2.79Å; K197-E212 PolarHBondContact NZ-OE2 2.84Å; Q208-E212 PolarHBondContact O-N 2.84Å; T209-E212 WeakPolarHBondContact O-CB 3.48Å; T209-E212 PolarHBondContact O-N 3Å; E212-R214 PolarHBondContact O-N 2.97Å; E212-I215 PolarHBondContact O-N 2.78Å; E212-L216 HydrophobicContact CG-CD1 3.73Å; E212-L216 HydrophobicContact CG-CG 4.39Å; E212-L216 WeakPolarHBondContact O-CB 3.46Å; E212-L216 VanDerWaalsContact O-CG 3.28Å; E212-L216 WeakPolarHBondContact O-CG 3.37Å; E212-L216 PolarHBondContact O-N 2.97Å; E212-I245 HydrophobicContact CG-CD1 4.43Å; E212-F315 HydrophobicContact CG-CB 4.15Å; E212-G316 PolarHBondContact OE1-N 2.94Å; E212-G316 WeakPolarHBondContact OE2-CA 3.43Å
213	I	97.3	Very high	94.7	Very high	15 Å²	15	58 Å²	58	8%	0.077	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-48.8	176.9	-70.7	165.5	0	0	0	110.4	T209 V211 I215 L216 D217 M233 H236 I245	T209-I213 HydrophobicContact CG2-CD1 3.98Å; T209-I213 HydrophobicContact CG2-CG1 4.4Å; T209-I213 VanDerWaalsContact O-CG1 3.32Å; T209-I213 WeakPolarHBondContact O-CG1 3.5Å; T209-I213 PolarHBondContact O-N 3.36Å; V211-I213 PolarHBondContact O-N 3.26Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 3.2Å; I213-L216 PolarHBondContact O-N 3.27Å; I213-D217 WeakPolarHBondContact O-CB 3.31Å; I213-D217 PolarHBondContact O-N 2.85Å; I213-M233 HydrophobicContact CG1-SD 4.18Å; I213-M233 HydrophobicContact CG2-CE 4.04Å; I213-M233 HydrophobicContact CG2-SD 4.37Å; I213-H236 HydrophobicContact CD1-CB 3.98Å; I213-H236 HydrophobicContact CG1-CB 4.3Å; I213-I245 HydrophobicContact CD1-CD1 4.3Å; I213-I245 HydrophobicContact CD1-CG1 4.27Å; I213-I245 HydrophobicContact CG1-CD1 3.72Å; I213-I245 HydrophobicContact CG1-CG1 4.07Å
214	R	96.6	Very high	94.5	Very high	143 Å²	143	53.7 Å²	53.7	54%	0.54	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-41	178.3	-72.6	-168.2	-56.4	-85.8	6	112.7	D210 V211 E212 M218	D210-R214 WeakPolarHBondContact O-CG 3.48Å; D210-R214 PolarHBondContact O-N 2.76Å; D210-R214 PolarHBondContact O-NH1 3.13Å; V211-R214 VanDerWaalsContact CG2-NH2 3.31Å; V211-R214 PolarHBondContact O-N 2.79Å; E212-R214 PolarHBondContact O-N 2.97Å; R214-M218 WeakPolarHBondContact O-CB 3.27Å; R214-M218 PolarHBondContact O-N 3.25Å; R214-M218 VanDerWaalsContact O-N 3.09Å
215	I	96.6	Very high	94.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-48.2	176.8	-71.9	172.6	0	0	0	110.1	V211 E212 I213 M218 L219 L290 F315 F320	V211-I215 HydrophobicContact CG1-CD1 3.79Å; V211-I215 HydrophobicContact CG1-CG1 4.4Å; V211-I215 WeakPolarHBondContact O-CG1 3.11Å; V211-I215 PolarHBondContact O-N 3.34Å; E212-I215 PolarHBondContact O-N 2.78Å; I213-I215 VanDerWaalsContact C-N 3.33Å; I213-I215 PolarHBondContact O-N 3.2Å; I215-M218 PolarHBondContact O-N 2.99Å; I215-L219 HydrophobicContact CG2-CD1 3.81Å; I215-L219 HydrophobicContact CG2-CG 4.31Å; I215-L219 WeakPolarHBondContact O-CB 3.03Å; I215-L219 VanDerWaalsContact O-CG 3.28Å; I215-L219 WeakPolarHBondContact O-CG 3.38Å; I215-L219 PolarHBondContact O-N 3.39Å; I215-L290 HydrophobicContact CD1-CD2 4.04Å; I215-L290 HydrophobicContact CG1-CD2 4.05Å; I215-L290 HydrophobicContact CG2-CD1 3.86Å; I215-L290 HydrophobicContact CG2-CD2 4.47Å; I215-F315 HydrophobicContact CG2-CB 4.39Å; I215-F315 HydrophobicContact CG2-CD1 3.99Å; I215-F315 HydrophobicContact CG2-CG 4.43Å; I215-F320 HydrophobicContact CG1-CE2 4.27Å; I215-F320 HydrophobicContact CG1-CZ 4.43Å
216	L	96.8	Very high	94.4	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-40.7	-179	-71.5	166.7	0	0	0	112.5	E212 I213 L219 R220 V231 M233 F247 F315	E212-L216 HydrophobicContact CG-CD1 3.73Å; E212-L216 HydrophobicContact CG-CG 4.39Å; E212-L216 WeakPolarHBondContact O-CB 3.46Å; E212-L216 VanDerWaalsContact O-CG 3.28Å; E212-L216 WeakPolarHBondContact O-CG 3.37Å; E212-L216 PolarHBondContact O-N 2.97Å; I213-L216 PolarHBondContact O-N 3.27Å; L216-L219 PolarHBondContact O-N 3.23Å; L216-R220 VanDerWaalsContact O-CB 3.29Å; L216-R220 WeakPolarHBondContact O-CB 3.45Å; L216-R220 PolarHBondContact O-N 3.09Å; L216-V231 HydrophobicContact CD2-CG1 4.04Å; L216-M233 HydrophobicContact CB-CB 4.13Å; L216-M233 HydrophobicContact CB-CE 4.18Å; L216-M233 HydrophobicContact CB-SD 4.18Å; L216-M233 HydrophobicContact CD1-CB 4.24Å; L216-M233 HydrophobicContact CD1-SD 4.07Å; L216-F247 HydrophobicContact CD1-CE1 3.63Å; L216-F247 HydrophobicContact CD1-CZ 3.93Å; L216-F247 HydrophobicContact CD2-CE1 4.44Å; L216-F315 HydrophobicContact CD2-CB 4.38Å; L216-F315 HydrophobicContact CD2-CD2 3.73Å; L216-F315 HydrophobicContact CD2-CE2 4.38Å; L216-F315 HydrophobicContact CD2-CG 4.2Å; L216-F315 HydrophobicContact CG-CB 4.5Å
217	D	96.1	Very high	94.2	Very high	41 Å²	41	59 Å²	59	22%	0.219	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-41.4	175	-83.4	-31.8	0	0	0	112	I213 R220 T221 M233	I213-D217 WeakPolarHBondContact O-CB 3.31Å; I213-D217 PolarHBondContact O-N 2.85Å; D217-R220 PolarHBondContact O-N 3.45Å; D217-R220 IonicContact OD1-CZ 3.01Å; D217-R220 VanDerWaalsContact OD1-CZ 3.27Å; D217-R220 IonicContact OD1-NH1 2.96Å; D217-R220 IonicContact OD1-NH2 3.51Å; D217-R220 PolarHBondContact OD1-NH2 3.25Å; D217-T221 WeakPolarHBondContact O-CB 3.47Å; D217-T221 PolarHBondContact O-N 3.38Å; D217-T221 PolarHBondContact O-OG1 3.48Å; D217-M233 HydrophobicContact CB-CE 4.41Å; D217-M233 WeakPolarHBondContact OD1-CE 3.48Å
218	M	95.5	Very high	94.3	Very high	40 Å²	40	50.7 Å²	50.7	20%	0.197	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-48.9	175.2	-178.5	-74.7	-69.5	0	0	110.8	R214 I215 R220 T221 N222 H288 L290	R214-M218 WeakPolarHBondContact O-CB 3.27Å; R214-M218 PolarHBondContact O-N 3.25Å; R214-M218 VanDerWaalsContact O-N 3.09Å; I215-M218 PolarHBondContact O-N 2.99Å; M218-R220 VanDerWaalsContact C-N 3.28Å; M218-R220 PolarHBondContact O-N 2.87Å; M218-T221 PolarHBondContact O-N 2.97Å; M218-N222 PolarHBondContact O-N 2.87Å; M218-N222 PolarHBondContact O-ND2 3.28Å; M218-N222 PolarHBondContact SD-ND2 3.42Å; M218-H288 HydrophobicContact CE-CB 3.59Å; M218-H288 HydrophobicContact SD-CB 4.13Å; M218-H288 PolarHBondContact SD-CD2 2.79Å; M218-H288 VanDerWaalsContact SD-CG 3.57Å; M218-L290 HydrophobicContact CE-CD1 3.29Å; M218-L290 HydrophobicContact CE-CG 4.15Å
219	L	95.9	Very high	94.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-39.6	178	-70.1	173.5	0	0	0	111.4	I215 L216 N222 D223 T230 M284 L285 L290 F315	I215-L219 HydrophobicContact CG2-CD1 3.81Å; I215-L219 HydrophobicContact CG2-CG 4.31Å; I215-L219 WeakPolarHBondContact O-CB 3.03Å; I215-L219 VanDerWaalsContact O-CG 3.28Å; I215-L219 WeakPolarHBondContact O-CG 3.38Å; I215-L219 PolarHBondContact O-N 3.39Å; L216-L219 PolarHBondContact O-N 3.23Å; L219-N222 PolarHBondContact O-N 3.06Å; L219-D223 WeakPolarHBondContact O-CB 3.49Å; L219-D223 PolarHBondContact O-N 3.3Å; L219-D223 VanDerWaalsContact O-N 3.13Å; L219-T230 HydrophobicContact CD1-CG2 4.17Å; L219-M284 HydrophobicContact CD2-CE 3.89Å; L219-M284 HydrophobicContact CD2-CG 3.77Å; L219-L285 HydrophobicContact CD1-CD2 4.08Å; L219-L285 HydrophobicContact CD2-CD2 3.86Å; L219-L290 HydrophobicContact CD2-CD1 4.02Å; L219-L290 HydrophobicContact CG-CD1 4.32Å; L219-F315 HydrophobicContact CD1-CD1 4.07Å; L219-F315 HydrophobicContact CD1-CE1 3.7Å; L219-F315 HydrophobicContact CD1-CE2 4.49Å; L219-F315 HydrophobicContact CD1-CZ 3.93Å
220	R	94.3	Very high	94.7	Very high	98 Å²	98	49.2 Å²	49.2	37%	0.37	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-47.7	177.5	-175.5	-178.5	66.7	-158.3	-6.8	111.9	L216 D217 M218 N222 D223 R232 M233	L216-R220 VanDerWaalsContact O-CB 3.29Å; L216-R220 WeakPolarHBondContact O-CB 3.45Å; L216-R220 PolarHBondContact O-N 3.09Å; D217-R220 PolarHBondContact O-N 3.45Å; D217-R220 IonicContact OD1-CZ 3.01Å; D217-R220 VanDerWaalsContact OD1-CZ 3.27Å; D217-R220 IonicContact OD1-NH1 2.96Å; D217-R220 IonicContact OD1-NH2 3.51Å; D217-R220 PolarHBondContact OD1-NH2 3.25Å; M218-R220 VanDerWaalsContact C-N 3.28Å; M218-R220 PolarHBondContact O-N 2.87Å; R220-N222 VanDerWaalsContact C-N 3.31Å; R220-N222 PolarHBondContact O-N 2.69Å; R220-D223 CarbonylContact O-C 3.13Å; R220-D223 PolarHBondContact O-N 2.7Å; R220-R232 PolarHBondContact O-NH1 3.49Å; R220-M233 PolarHBondContact NH1-O 3.43Å
221	T	94.1	Very high	94.7	Very high	104 Å²	104	47.1 Å²	47.1	64%	0.638	24%	0.243	S	C	*	.	H	α-helix	trans	-63.2	-37.6	-179.6	-55.9	0	0	0	0	112	D217 M218	D217-T221 WeakPolarHBondContact O-CB 3.47Å; D217-T221 PolarHBondContact O-N 3.38Å; D217-T221 PolarHBondContact O-OG1 3.48Å; M218-T221 PolarHBondContact O-N 2.97Å
222	N	94.2	Very high	94.8	Very high	89 Å²	89	46.7 Å²	46.7	48%	0.476	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.5	-178.3	-70.4	-78.1	0	0	0	114.2	M218 L219 R220 M284	M218-N222 PolarHBondContact O-N 2.87Å; M218-N222 PolarHBondContact O-ND2 3.28Å; M218-N222 PolarHBondContact SD-ND2 3.42Å; L219-N222 PolarHBondContact O-N 3.06Å; R220-N222 VanDerWaalsContact C-N 3.31Å; R220-N222 PolarHBondContact O-N 2.69Å; N222-M284 HydrophobicContact CB-CE 3.41Å; N222-M284 VanDerWaalsContact CB-CE 3.41Å
223	D	93	Very high	94.9	Very high	14 Å²	14	46.8 Å²	46.8	8%	0.075	24%	0.237	C	C	.	.			trans	-132.3	64	175.7	-179.6	35	0	0	0	109.4	L219 R220 E225 N226 H227 S228 R232 M284	L219-D223 WeakPolarHBondContact O-CB 3.49Å; L219-D223 PolarHBondContact O-N 3.3Å; L219-D223 VanDerWaalsContact O-N 3.13Å; R220-D223 CarbonylContact O-C 3.13Å; R220-D223 PolarHBondContact O-N 2.7Å; D223-E225 PolarHBondContact O-N 3.4Å; D223-N226 PolarHBondContact O-N 2.75Å; D223-N226 PolarHBondContact OD1-N 3.37Å; D223-N226 WeakPolarHBondContact OD2-CA 3.28Å; D223-H227 PolarHBondContact OD1-N 2.8Å; D223-H227 PolarHBondContact OD2-N 2.74Å; D223-S228 PolarHBondContact OD1-N 3.21Å; D223-S228 WeakPolarHBondContact OD2-CB 2.97Å; D223-S228 PolarHBondContact OD2-N 3.43Å; D223-S228 PolarHBondContact OD2-OG 2.88Å; D223-R232 VanDerWaalsContact O-CZ 3.25Å; D223-R232 PolarHBondContact O-NH1 3.2Å; D223-R232 PolarHBondContact O-NH2 2.89Å; D223-R232 IonicContact OD2-CZ 2.62Å; D223-R232 IonicContact OD2-NH1 2.91Å; D223-R232 IonicContact OD2-NH2 3.16Å; D223-M284 HydrophobicContact CB-CE 4.16Å
224	A	89.8	Confident	94.9	Very high	86 Å²	86	50.3 Å²	50.3	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-34	179.9	0	0	0	0	0	112.2
225	E	90.7	Very high	94.9	Very high	132 Å²	132	46 Å²	46	62%	0.617	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.7	-175.1	-60.4	-179	175.6	0	0	114.6	D223 H227	D223-E225 PolarHBondContact O-N 3.4Å; E225-H227 WeakPolarHBondContact CB-ND1 3.43Å; E225-H227 IonicContact OE2-CE1 2.89Å; E225-H227 PolarHBondContact OE2-CE1 3.36Å; E225-H227 IonicContact OE2-ND1 3.51Å; E225-H227 PolarHBondContact OE2-ND1 2.6Å
226	N	91.4	Very high	94.9	Very high	45 Å²	45	50 Å²	50	24%	0.241	26%	0.262	C	S	.	.	S	Bend	trans	68.4	29.6	178	-158.9	34.4	0	0	0	114.9	D223 R232 R303 K311	D223-N226 PolarHBondContact O-N 2.75Å; D223-N226 PolarHBondContact OD1-N 3.37Å; D223-N226 WeakPolarHBondContact OD2-CA 3.28Å; N226-R232 PolarHBondContact OD1-NE 2.94Å; N226-R232 PolarHBondContact OD1-NH2 3.45Å; N226-R303 PolarHBondContact ND2-NH1 2.96Å; N226-R303 PolarHBondContact O-NH2 2.89Å; N226-K311 PolarHBondContact OD1-NZ 3.46Å
227	H	91.9	Very high	95	Very high	96 Å²	96	51.6 Å²	51.6	44%	0.444	27%	0.269	S	S	.	.			trans	-92.5	-14.5	-178.1	-66.3	150.1	0	0	0	113.1	D223 E225 N229	D223-H227 PolarHBondContact OD1-N 2.8Å; D223-H227 PolarHBondContact OD2-N 2.74Å; E225-H227 WeakPolarHBondContact CB-ND1 3.43Å; E225-H227 IonicContact OE2-CE1 2.89Å; E225-H227 PolarHBondContact OE2-CE1 3.36Å; E225-H227 IonicContact OE2-ND1 3.51Å; E225-H227 PolarHBondContact OE2-ND1 2.6Å; H227-N229 PolarHBondContact O-N 3.46Å
228	S	93.8	Very high	95	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.042	28%	0.282	C	S	.	.	S	Bend	trans	-74.1	-7.9	-178.9	72	0	0	0	0	114.3	D223 T230 C281	D223-S228 PolarHBondContact OD1-N 3.21Å; D223-S228 WeakPolarHBondContact OD2-CB 2.97Å; D223-S228 PolarHBondContact OD2-N 3.43Å; D223-S228 PolarHBondContact OD2-OG 2.88Å; S228-T230 PolarHBondContact O-N 3.08Å; S228-T230 VanDerWaalsContact O-N 3.14Å; S228-T230 WeakPolarHBondContact OG-CG2 3.19Å; S228-T230 PolarHBondContact OG-N 3.4Å; S228-T230 PolarHBondContact OG-OG1 2.98Å; S228-C281 WeakPolarHBondContact O-CA 3.41Å; S228-C281 VanDerWaalsContact O-CB 3.26Å; S228-C281 WeakPolarHBondContact O-CB 3.03Å; S228-C281 PolarHBondContact O-N 3.49Å
229	N	97.4	Very high	95.1	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.07	27%	0.273	C	S	.	.			trans	51.7	33	-173.1	-59.1	-41.2	0	0	0	113.9	H227 G277 Q280 R303 I310 K311 V312	H227-N229 PolarHBondContact O-N 3.46Å; N229-G277 VanDerWaalsContact ND2-CA 3.34Å; N229-G277 WeakPolarHBondContact ND2-CA 3.44Å; N229-G277 PolarHBondContact ND2-O 3.47Å; N229-Q280 PolarHBondContact ND2-OE1 3.24Å; N229-R303 PolarHBondContact OD1-NH2 3.07Å; N229-I310 HydrophobicContact CB-CD1 4.01Å; N229-I310 PolarHBondContact OD1-O 3.35Å; N229-K311 CarbonylContact O-C 3.57Å; N229-K311 WeakPolarHBondContact O-CA 3.36Å; N229-V312 PolarHBondContact O-N 3.16Å
230	T	97.2	Very high	95.2	Very high	2 Å²	2	52 Å²	52	1%	0.012	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-90.1	149	168.6	57.7	0	0	0	0	109.8	L219 S228 K311 F315	L219-T230 HydrophobicContact CD1-CG2 4.17Å; S228-T230 PolarHBondContact O-N 3.08Å; S228-T230 VanDerWaalsContact O-N 3.14Å; S228-T230 WeakPolarHBondContact OG-CG2 3.19Å; S228-T230 PolarHBondContact OG-N 3.4Å; S228-T230 PolarHBondContact OG-OG1 2.98Å; T230-K311 WeakPolarHBondContact O-CD 3.44Å; T230-K311 PolarHBondContact O-NZ 2.83Å; T230-F315 HydrophobicContact CG2-CZ 4.06Å
231	V	97.2	Very high	95.2	Very high	10 Å²	10	52 Å²	52	6%	0.061	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64.2	136.9	173.9	68.3	0	0	0	0	111.2	L216 F247 E248 L250 V312 I313 F315	L216-V231 HydrophobicContact CD2-CG1 4.04Å; V231-F247 HydrophobicContact CB-CD1 4.48Å; V231-F247 HydrophobicContact CG1-CD1 3.96Å; V231-F247 HydrophobicContact CG1-CE1 3.98Å; V231-F247 HydrophobicContact CG2-CB 4.07Å; V231-F247 HydrophobicContact CG2-CD1 3.73Å; V231-F247 HydrophobicContact CG2-CG 4.22Å; V231-E248 HydrophobicContact CG2-CG 4.3Å; V231-L250 HydrophobicContact CG2-CD1 4.3Å; V231-V312 PolarHBondContact N-O 3.39Å; V231-I313 HydrophobicContact CB-CG2 4.03Å; V231-I313 HydrophobicContact CG1-CB 4.5Å; V231-I313 HydrophobicContact CG2-CG2 4.18Å; V231-F315 HydrophobicContact CG1-CD2 4.35Å; V231-F315 HydrophobicContact CG1-CE2 4.34Å
232	R	96.3	Very high	95.4	Very high	37 Å²	37	47.1 Å²	47.1	14%	0.14	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-86	117.4	175.2	-63.4	-48.4	-172	152.9	19.7	111	R220 D223 N226 L234 F247 E248	R220-R232 PolarHBondContact O-NH1 3.49Å; D223-R232 VanDerWaalsContact O-CZ 3.25Å; D223-R232 PolarHBondContact O-NH1 3.2Å; D223-R232 PolarHBondContact O-NH2 2.89Å; D223-R232 IonicContact OD2-CZ 2.62Å; D223-R232 IonicContact OD2-NH1 2.91Å; D223-R232 IonicContact OD2-NH2 3.16Å; N226-R232 PolarHBondContact OD1-NE 2.94Å; N226-R232 PolarHBondContact OD1-NH2 3.45Å; R232-L234 HydrophobicContact CB-CD2 4.45Å; R232-F247 VanDerWaalsContact O-CA 3.27Å; R232-F247 WeakPolarHBondContact O-CA 3.3Å; R232-E248 HydrophobicContact CB-CG 4.45Å; R232-E248 VanDerWaalsContact CB-OE1 3.26Å; R232-E248 WeakPolarHBondContact CB-OE1 3.43Å; R232-E248 VanDerWaalsContact CG-OE1 3.27Å; R232-E248 WeakPolarHBondContact CG-OE1 3.31Å; R232-E248 PolarHBondContact N-OE1 3.09Å; R232-E248 PolarHBondContact O-N 2.88Å; R232-E248 VanDerWaalsContact O-N 3.16Å
233	M	97	Very high	95.6	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.02	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.5	159.7	-176.7	172.6	73.7	0	0	109.5	I213 L216 D217 R220 H236 I245 T246 F247	I213-M233 HydrophobicContact CG1-SD 4.18Å; I213-M233 HydrophobicContact CG2-CE 4.04Å; I213-M233 HydrophobicContact CG2-SD 4.37Å; L216-M233 HydrophobicContact CB-CB 4.13Å; L216-M233 HydrophobicContact CB-CE 4.18Å; L216-M233 HydrophobicContact CB-SD 4.18Å; L216-M233 HydrophobicContact CD1-CB 4.24Å; L216-M233 HydrophobicContact CD1-SD 4.07Å; D217-M233 HydrophobicContact CB-CE 4.41Å; D217-M233 WeakPolarHBondContact OD1-CE 3.48Å; R220-M233 PolarHBondContact NH1-O 3.43Å; M233-H236 HydrophobicContact SD-CB 4.33Å; M233-I245 HydrophobicContact CB-CG2 4.44Å; M233-I245 HydrophobicContact CG-CG2 3.51Å; M233-I245 HydrophobicContact SD-CG2 3.61Å; M233-T246 WeakPolarHBondContact CA-O 3.35Å; M233-F247 HydrophobicContact CB-CD1 4.37Å; M233-F247 HydrophobicContact CB-CE1 4.26Å
234	L	96.4	Very high	95.9	Very high	89 Å²	89	44.1 Å²	44.1	47%	0.466	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-43	-178.8	-55.7	179.7	0	0	0	111.5	V194 R232 T246	V194-L234 HydrophobicContact CB-CD1 4.49Å; V194-L234 HydrophobicContact CG1-CD1 3.73Å; R232-L234 HydrophobicContact CB-CD2 4.45Å; L234-T246 PolarHBondContact N-O 3.43Å
235	D	96.6	Very high	96.3	Very high	52 Å²	52	40 Å²	40	28%	0.278	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	156.4	-176.2	-152.3	-17.6	0	0	0	110.1	R167 Y168 T246	R167-D235 IonicContact CZ-OD2 2.67Å; R167-D235 IonicContact NH1-OD2 3.47Å; R167-D235 PolarHBondContact NH1-OD2 2.83Å; Y168-D235 PolarHBondContact OH-OD2 2.62Å; D235-T246 WeakPolarHBondContact CA-OG1 3.32Å; D235-T246 WeakPolarHBondContact CB-OG1 3.31Å; D235-T246 PolarHBondContact N-OG1 2.96Å; D235-T246 PolarHBondContact O-N 3.39Å; D235-T246 PolarHBondContact O-OG1 3.41Å
236	H	97.6	Very high	96.6	Very high	84 Å²	84	33.8 Å²	33.8	39%	0.389	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.2	171.5	70.5	-82.6	0	0	0	110.5	I213 M233 C244 I245	I213-H236 HydrophobicContact CD1-CB 3.98Å; I213-H236 HydrophobicContact CG1-CB 4.3Å; M233-H236 HydrophobicContact SD-CB 4.33Å; H236-C244 CarbonylContact C-O 3.57Å; H236-C244 VanDerWaalsContact CA-O 3.24Å; H236-C244 WeakPolarHBondContact CA-O 3.12Å; H236-I245 HydrophobicContact CB-CG1 4.39Å
237	F	98	Very high	97	Very high	40 Å²	40	32.6 Å²	32.6	18%	0.175	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	174.4	-176.7	54	-88.6	0	0	0	110.4	V164 A165 Y168 L196 F239 C244 T246	V164-F237 HydrophobicContact CG1-CE2 3.73Å; V164-F237 HydrophobicContact CG1-CZ 3.95Å; A165-F237 HydrophobicContact CB-CD2 3.79Å; A165-F237 HydrophobicContact CB-CE2 3.46Å; A165-F237 VanDerWaalsContact CB-CE2 3.46Å; A165-F237 HydrophobicContact CB-CZ 4.03Å; Y168-F237 HydrophobicContact CD2-CE1 4.07Å; Y168-F237 AromaticContact CD2-CZ 3.72Å; Y168-F237 HydrophobicContact CD2-CZ 3.72Å; Y168-F237 HydrophobicContact CE2-CD1 4.36Å; Y168-F237 AromaticContact CE2-CE1 3.33Å; Y168-F237 HydrophobicContact CE2-CE1 3.33Å; Y168-F237 AromaticContact CE2-CZ 3.48Å; Y168-F237 HydrophobicContact CE2-CZ 3.48Å; Y168-F237 VanDerWaalsContact CE2-CZ 3.48Å; Y168-F237 AromaticContact CZ-CE1 4Å; L196-F237 HydrophobicContact CD1-CZ 4.04Å; F237-F239 HydrophobicContact CD2-CB 4.1Å; F237-F239 HydrophobicContact CE2-CB 3.97Å; F237-C244 HydrophobicContact CD1-CB 4.39Å; F237-C244 HydrophobicContact CD2-CB 3.75Å; F237-C244 HydrophobicContact CE1-CB 4.09Å; F237-C244 HydrophobicContact CE2-CB 3.4Å; F237-C244 VanDerWaalsContact CE2-CB 3.4Å; F237-C244 HydrophobicContact CG-CB 4.23Å; F237-C244 HydrophobicContact CZ-CB 3.59Å; F237-C244 PolarHBondContact N-O 3.41Å; F237-C244 PolarHBondContact O-N 3.25Å; F237-T246 HydrophobicContact CE1-CG2 4.09Å
238	T	97.7	Very high	97.2	Very high	79 Å²	79	30.3 Å²	30.3	49%	0.485	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.7	170.1	-57.2	0	0	0	0	108.6	H242	T238-H242 CarbonylContact C-O 3.55Å; T238-H242 VanDerWaalsContact CA-O 3.3Å; T238-H242 WeakPolarHBondContact CA-O 3.34Å
239	F	97.7	Very high	97.3	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.8	177.1	176.1	-107.8	0	0	0	108.8	Y124 Y156 H163 V164 A165 F237 Q241 H242	Y124-F239 WeakPolarHBondContact OH-CD2 3.4Å; Y156-F239 HydrophobicContact CE2-CE1 4.43Å; Y156-F239 AromaticContact CZ-CE1 3.97Å; H163-F239 AromaticContact CE1-CZ 3.92Å; V164-F239 HydrophobicContact CB-CD1 4.3Å; V164-F239 HydrophobicContact CB-CE1 4.29Å; V164-F239 HydrophobicContact CG1-CB 4.22Å; V164-F239 HydrophobicContact CG1-CD1 3.7Å; V164-F239 HydrophobicContact CG1-CE1 4.19Å; V164-F239 HydrophobicContact CG1-CG 3.98Å; V164-F239 HydrophobicContact CG2-CD1 4.35Å; V164-F239 HydrophobicContact CG2-CE1 4.17Å; A165-F239 HydrophobicContact CB-CD2 4.2Å; A165-F239 VanDerWaalsContact N-CD2 3.28Å; A165-F239 VanDerWaalsContact N-CE2 3.32Å; F237-F239 HydrophobicContact CD2-CB 4.1Å; F237-F239 HydrophobicContact CE2-CB 3.97Å; F239-Q241 VanDerWaalsContact C-N 3.3Å; F239-Q241 PolarHBondContact O-N 2.96Å; F239-H242 PolarHBondContact N-O 2.88Å; F239-H242 PolarHBondContact O-N 2.83Å
240	R	96.2	Very high	97.3	Very high	9 Å²	9	33.5 Å²	33.5	3%	0.034	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	52.9	-178.1	-62.2	179.4	-178.9	165.4	0.6	112.4	Y116 E117 E120 N146 F149 Y156 H163 H242	Y116-R240 HydrophobicContact CE1-CG 4.34Å; E117-R240 IonicContact OE1-NH2 3.57Å; E120-R240 WeakPolarHBondContact OE1-CG 3.49Å; E120-R240 IonicContact OE1-NE 2.7Å; E120-R240 PolarHBondContact OE1-NE 2.76Å; E120-R240 IonicContact OE2-CZ 3.42Å; E120-R240 IonicContact OE2-NE 3.11Å; E120-R240 PolarHBondContact OE2-NE 3.12Å; E120-R240 VanDerWaalsContact OE2-NE 3.11Å; E120-R240 IonicContact OE2-NH2 2.84Å; E120-R240 PolarHBondContact OE2-NH2 2.6Å; N146-R240 PolarHBondContact ND2-O 3.19Å; F149-R240 HydrophobicContact CD2-CG 4.42Å; F149-R240 HydrophobicContact CE2-CG 4.48Å; Y156-R240 HydrophobicContact CE2-CB 4.15Å; Y156-R240 PolarHBondContact OH-NH1 3.45Å; H163-R240 PolarHBondContact NE2-NH2 3.18Å; R240-H242 PolarHBondContact O-CD2 3.41Å; R240-H242 PolarHBondContact O-N 3.06Å
241	Q	95.9	Very high	97.2	Very high	97 Å²	97	34.9 Å²	34.9	45%	0.453	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-5.4	-176.8	-53.1	-169.8	44.1	0	0	117.3	N146 H206 F239	N146-Q241 VanDerWaalsContact OD1-CD 3.28Å; N146-Q241 WeakPolarHBondContact OD1-CG 3.48Å; N146-Q241 PolarHBondContact OD1-NE2 3.13Å; H206-Q241 PolarHBondContact CE1-O 2.73Å; H206-Q241 PolarHBondContact NE2-O 3.44Å; F239-Q241 VanDerWaalsContact C-N 3.3Å; F239-Q241 PolarHBondContact O-N 2.96Å
242	H	98.2	Very high	96.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.4	173.6	-62.7	-85	0	0	0	111.5	D150 G154 Y156 I198 V199 T238 F239 R240	D150-H242 IonicContact OD1-CD2 2.97Å; D150-H242 IonicContact OD1-CE1 3.48Å; D150-H242 PolarHBondContact OD1-CE1 3.33Å; D150-H242 IonicContact OD1-NE2 3.38Å; D150-H242 PolarHBondContact OD1-NE2 2.91Å; D150-H242 IonicContact OD2-CE1 2.97Å; D150-H242 IonicContact OD2-NE2 3.78Å; G154-H242 PolarHBondContact O-CE1 2.91Å; Y156-H242 WeakPolarHBondContact CB-NE2 3.32Å; Y156-H242 AromaticContact CD2-CD2 3.46Å; Y156-H242 VanDerWaalsContact CD2-CD2 3.46Å; Y156-H242 WeakPolarHBondContact CD2-CD2 3.5Å; Y156-H242 AromaticContact CD2-NE2 3.46Å; Y156-H242 WeakPolarHBondContact CD2-NE2 3.2Å; Y156-H242 AromaticContact CG-CD2 3.96Å; Y156-H242 AromaticContact CG-NE2 3.91Å; Y156-H242 PolarHBondContact N-CE1 3.14Å; I198-H242 HydrophobicContact CG2-CB 3.74Å; V199-H242 PolarHBondContact O-ND1 2.77Å; T238-H242 CarbonylContact C-O 3.55Å; T238-H242 VanDerWaalsContact CA-O 3.3Å; T238-H242 WeakPolarHBondContact CA-O 3.34Å; F239-H242 PolarHBondContact N-O 2.88Å; F239-H242 PolarHBondContact O-N 2.83Å; R240-H242 PolarHBondContact O-CD2 3.41Å; R240-H242 PolarHBondContact O-N 3.06Å
243	K	98	Very high	96.9	Very high	39 Å²	39	37.8 Å²	37.8	17%	0.17	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.3	162.7	-70.2	-175.3	-179.8	-83.2	0	109.6	V199 H206 T209 D210	V199-K243 HydrophobicContact CB-CB 4.28Å; V199-K243 VanDerWaalsContact CB-O 3.28Å; V199-K243 WeakPolarHBondContact CB-O 3.3Å; V199-K243 HydrophobicContact CG2-CB 4.37Å; V199-K243 VanDerWaalsContact CG2-O 3.29Å; V199-K243 WeakPolarHBondContact CG2-O 3.38Å; V199-K243 PolarHBondContact N-O 2.9Å; H206-K243 HydrophobicContact CB-CD 4.1Å; T209-K243 HydrophobicContact CG2-CB 3.91Å; T209-K243 HydrophobicContact CG2-CD 3.95Å; D210-K243 WeakPolarHBondContact OD1-CE 3.27Å; D210-K243 IonicContact OD1-NZ 3.95Å; D210-K243 PolarHBondContact OD1-NZ 3.03Å; D210-K243 WeakPolarHBondContact OD2-CE 2.91Å; D210-K243 IonicContact OD2-NZ 3.89Å; D210-K243 PolarHBondContact OD2-NZ 2.73Å
244	C	98.4	Very high	96.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.9	-178.1	-68.3	0	0	0	0	109.9	L196 K197 H236 F237	L196-C244 HydrophobicContact CD1-CB 4.04Å; K197-C244 CarbonylContact O-C 3.51Å; K197-C244 VanDerWaalsContact O-CA 3.26Å; K197-C244 WeakPolarHBondContact O-CA 3.26Å; H236-C244 CarbonylContact C-O 3.57Å; H236-C244 VanDerWaalsContact CA-O 3.24Å; H236-C244 WeakPolarHBondContact CA-O 3.12Å; F237-C244 HydrophobicContact CD1-CB 4.39Å; F237-C244 HydrophobicContact CD2-CB 3.75Å; F237-C244 HydrophobicContact CE1-CB 4.09Å; F237-C244 HydrophobicContact CE2-CB 3.4Å; F237-C244 VanDerWaalsContact CE2-CB 3.4Å; F237-C244 HydrophobicContact CG-CB 4.23Å; F237-C244 HydrophobicContact CZ-CB 3.59Å; F237-C244 PolarHBondContact N-O 3.41Å; F237-C244 PolarHBondContact O-N 3.25Å
245	I	98.3	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.2	172	-52.8	174.5	0	0	0	108.4	K197 T209 E212 I213 M233 H236 F247	K197-I245 HydrophobicContact CB-CB 4.46Å; K197-I245 PolarHBondContact N-O 2.94Å; K197-I245 PolarHBondContact O-N 3.34Å; T209-I245 HydrophobicContact CG2-CD1 3.72Å; T209-I245 HydrophobicContact CG2-CG1 4.18Å; E212-I245 HydrophobicContact CG-CD1 4.43Å; I213-I245 HydrophobicContact CD1-CD1 4.3Å; I213-I245 HydrophobicContact CD1-CG1 4.27Å; I213-I245 HydrophobicContact CG1-CD1 3.72Å; I213-I245 HydrophobicContact CG1-CG1 4.07Å; M233-I245 HydrophobicContact CB-CG2 4.44Å; M233-I245 HydrophobicContact CG-CG2 3.51Å; M233-I245 HydrophobicContact SD-CG2 3.61Å; H236-I245 HydrophobicContact CB-CG1 4.39Å; I245-F247 HydrophobicContact CB-CE2 3.71Å; I245-F247 HydrophobicContact CB-CZ 3.97Å; I245-F247 HydrophobicContact CD1-CZ 4.36Å; I245-F247 HydrophobicContact CG2-CD1 4.47Å; I245-F247 HydrophobicContact CG2-CD2 4.08Å; I245-F247 HydrophobicContact CG2-CE1 3.91Å; I245-F247 HydrophobicContact CG2-CE2 3.44Å; I245-F247 VanDerWaalsContact CG2-CE2 3.44Å; I245-F247 HydrophobicContact CG2-CZ 3.35Å
246	T	98.3	Very high	96.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.1	171.9	60.7	0	0	0	0	111	Y168 V194 A195 L196 M233 L234 D235 F237	Y168-T246 HydrophobicContact CD1-CG2 4.36Å; Y168-T246 HydrophobicContact CE1-CG2 3.75Å; Y168-T246 HydrophobicContact CE2-CG2 4.2Å; V194-T246 HydrophobicContact CG2-CG2 4.47Å; A195-T246 CarbonylContact O-C 3.48Å; A195-T246 WeakPolarHBondContact O-CA 3.42Å; L196-T246 HydrophobicContact CB-CG2 4.37Å; L196-T246 HydrophobicContact CD1-CG2 3.65Å; M233-T246 WeakPolarHBondContact CA-O 3.35Å; L234-T246 PolarHBondContact N-O 3.43Å; D235-T246 WeakPolarHBondContact CA-OG1 3.32Å; D235-T246 WeakPolarHBondContact CB-OG1 3.31Å; D235-T246 PolarHBondContact N-OG1 2.96Å; D235-T246 PolarHBondContact O-N 3.39Å; D235-T246 PolarHBondContact O-OG1 3.41Å; F237-T246 HydrophobicContact CE1-CG2 4.09Å
247	F	98.2	Very high	96.7	Very high	20 Å²	20	32.7 Å²	32.7	9%	0.088	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	159.3	-179.5	-59.7	-87.6	0	0	0	110.6	V194 A195 K197 L216 V231 R232 M233 I245 L249	V194-F247 WeakPolarHBondContact CB-O 3.5Å; A195-F247 HydrophobicContact CB-CB 4.3Å; A195-F247 PolarHBondContact N-O 3.38Å; A195-F247 PolarHBondContact O-N 2.57Å; K197-F247 HydrophobicContact CB-CD2 4.49Å; K197-F247 HydrophobicContact CB-CE2 3.93Å; K197-F247 HydrophobicContact CD-CE2 4.16Å; L216-F247 HydrophobicContact CD1-CE1 3.63Å; L216-F247 HydrophobicContact CD1-CZ 3.93Å; L216-F247 HydrophobicContact CD2-CE1 4.44Å; V231-F247 HydrophobicContact CB-CD1 4.48Å; V231-F247 HydrophobicContact CG1-CD1 3.96Å; V231-F247 HydrophobicContact CG1-CE1 3.98Å; V231-F247 HydrophobicContact CG2-CB 4.07Å; V231-F247 HydrophobicContact CG2-CD1 3.73Å; V231-F247 HydrophobicContact CG2-CG 4.22Å; R232-F247 VanDerWaalsContact O-CA 3.27Å; R232-F247 WeakPolarHBondContact O-CA 3.3Å; M233-F247 HydrophobicContact CB-CD1 4.37Å; M233-F247 HydrophobicContact CB-CE1 4.26Å; I245-F247 HydrophobicContact CB-CE2 3.71Å; I245-F247 HydrophobicContact CB-CZ 3.97Å; I245-F247 HydrophobicContact CD1-CZ 4.36Å; I245-F247 HydrophobicContact CG2-CD1 4.47Å; I245-F247 HydrophobicContact CG2-CD2 4.08Å; I245-F247 HydrophobicContact CG2-CE1 3.91Å; I245-F247 HydrophobicContact CG2-CE2 3.44Å; I245-F247 VanDerWaalsContact CG2-CE2 3.44Å; I245-F247 HydrophobicContact CG2-CZ 3.35Å; F247-L249 PolarHBondContact O-N 3.35Å
248	E	96.8	Very high	96.7	Very high	48 Å²	48	30.9 Å²	30.9	22%	0.224	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	138.2	162.8	70.8	-171.4	118.1	0	0	110.2	V231 R232 L250 K311	V231-E248 HydrophobicContact CG2-CG 4.3Å; R232-E248 HydrophobicContact CB-CG 4.45Å; R232-E248 VanDerWaalsContact CB-OE1 3.26Å; R232-E248 WeakPolarHBondContact CB-OE1 3.43Å; R232-E248 VanDerWaalsContact CG-OE1 3.27Å; R232-E248 WeakPolarHBondContact CG-OE1 3.31Å; R232-E248 PolarHBondContact N-OE1 3.09Å; R232-E248 PolarHBondContact O-N 2.88Å; R232-E248 VanDerWaalsContact O-N 3.16Å; E248-L250 HydrophobicContact CG-CD2 3.97Å; E248-L250 HydrophobicContact CG-CG 4.13Å; E248-L250 PolarHBondContact O-N 2.89Å; E248-K311 VanDerWaalsContact OE1-CD 3.26Å; E248-K311 WeakPolarHBondContact OE1-CD 3.3Å; E248-K311 VanDerWaalsContact OE1-CE 3.29Å; E248-K311 WeakPolarHBondContact OE1-CE 3.2Å; E248-K311 IonicContact OE1-NZ 2.7Å; E248-K311 PolarHBondContact OE1-NZ 3.13Å; E248-K311 WeakPolarHBondContact OE2-CE 3.39Å; E248-K311 IonicContact OE2-NZ 3.47Å; E248-K311 PolarHBondContact OE2-NZ 3.39Å
249	L	97.1	Very high	96.6	Very high	60 Å²	60	31.6 Å²	31.6	31%	0.314	15%	0.147	S	C	.	.			trans	-81.7	115.5	177.3	-175.3	67.5	0	0	0	109.7	I174 K184 C193 A195 F247	I174-L249 HydrophobicContact CD1-CD1 4Å; K184-L249 HydrophobicContact CD-CD2 3.93Å; K184-L249 HydrophobicContact CG-CD1 4.47Å; K184-L249 HydrophobicContact CG-CD2 3.98Å; C193-L249 HydrophobicContact CB-CD2 3.71Å; A195-L249 HydrophobicContact CB-CD1 4.09Å; F247-L249 PolarHBondContact O-N 3.35Å
250	L	96.4	Very high	96.4	Very high	26 Å²	26	35.1 Å²	35.1	14%	0.136	17%	0.166	C	C	.	.			trans	-97.7	-179.9	176.4	-59.9	174	0	0	0	111.5	V231 E248 L301 R303 K311 I313	V231-L250 HydrophobicContact CG2-CD1 4.3Å; E248-L250 HydrophobicContact CG-CD2 3.97Å; E248-L250 HydrophobicContact CG-CG 4.13Å; E248-L250 PolarHBondContact O-N 2.89Å; L250-L301 HydrophobicContact CB-CB 3.9Å; L250-L301 HydrophobicContact CB-CD2 3.78Å; L250-L301 HydrophobicContact CB-CG 4.47Å; L250-L301 HydrophobicContact CD1-CB 3.85Å; L250-L301 HydrophobicContact CD1-CD2 4.28Å; L250-R303 HydrophobicContact CD2-CG 4.5Å; L250-K311 HydrophobicContact CD1-CB 3.83Å; L250-K311 HydrophobicContact CD1-CD 4.28Å; L250-K311 HydrophobicContact CD2-CD 4.02Å; L250-I313 HydrophobicContact CD1-CG2 3.91Å
251	S	94.9	Very high	96.3	Very high	30 Å²	30	36.2 Å²	36.2	21%	0.21	17%	0.172	C	C	.	.			trans	-97.4	-148.4	-179.8	-166.1	0	0	0	0	111.7	L301 L302 P305	S251-L301 WeakPolarHBondContact O-CD2 3.31Å; S251-L302 WeakPolarHBondContact CB-O 3.45Å; S251-L302 PolarHBondContact N-O 2.81Å; S251-P305 WeakPolarHBondContact OG-CA 3.49Å; S251-P305 WeakPolarHBondContact OG-CB 3.44Å
252	F	91	Very high	96.4	Very high	102 Å²	102	40.5 Å²	40.5	45%	0.447	18%	0.184	S	C	.	.			trans	-65.1	147	-178	-50.4	-69.5	0	0	0	112	E256 L302 P305	F252-E256 HydrophobicContact CB-CB 4.21Å; F252-L302 PolarHBondContact O-N 3.28Å; F252-P305 HydrophobicContact CD2-CB 4.32Å; F252-P305 HydrophobicContact CE2-CB 3.93Å
253	N	96.2	Very high	96.3	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-76.5	165.1	168.2	66.7	60.7	0	0	0	111.3	L27 Y255 E256 V257 E298 I300 L301	L27-N253 WeakPolarHBondContact CD1-ND2 3.45Å; N253-Y255 VanDerWaalsContact C-N 3.29Å; N253-Y255 PolarHBondContact O-N 3.3Å; N253-Y255 WeakPolarHBondContact OD1-CA 3.38Å; N253-Y255 VanDerWaalsContact OD1-CB 3.26Å; N253-Y255 WeakPolarHBondContact OD1-CB 3.47Å; N253-Y255 PolarHBondContact OD1-N 2.88Å; N253-E256 PolarHBondContact O-N 3.38Å; N253-E256 PolarHBondContact OD1-N 3.43Å; N253-V257 PolarHBondContact O-N 2.86Å; N253-E298 WeakPolarHBondContact CB-O 3.22Å; N253-I300 CarbonylContact C-O 3.59Å; N253-I300 VanDerWaalsContact CA-O 3.22Å; N253-I300 WeakPolarHBondContact CA-O 3.38Å; N253-L301 HydrophobicContact CB-CD1 3.69Å; N253-L301 HydrophobicContact CB-CG 4.07Å
254	L	97.6	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-23.8	-177.4	-66.5	-171.9	0	0	0	113.9	V257 I258 F274 P297 I300 L302 I310 L361	L254-V257 HydrophobicContact CD2-CG2 4.26Å; L254-V257 WeakPolarHBondContact O-CB 3.48Å; L254-V257 PolarHBondContact O-N 3.05Å; L254-I258 WeakPolarHBondContact O-CG1 3.5Å; L254-I258 PolarHBondContact O-N 3.33Å; L254-F274 HydrophobicContact CD1-CG 4.32Å; L254-F274 HydrophobicContact CD2-CD1 4.15Å; L254-F274 HydrophobicContact CD2-CD2 4.3Å; L254-F274 HydrophobicContact CD2-CE1 3.82Å; L254-F274 HydrophobicContact CD2-CE2 3.96Å; L254-F274 HydrophobicContact CD2-CG 4.39Å; L254-F274 HydrophobicContact CD2-CZ 3.72Å; L254-P297 HydrophobicContact CB-CB 4.12Å; L254-P297 PolarHBondContact N-O 3.35Å; L254-I300 HydrophobicContact CD1-CB 3.86Å; L254-I300 HydrophobicContact CD1-CD1 4.23Å; L254-I300 HydrophobicContact CD1-CG2 3.51Å; L254-I300 HydrophobicContact CG-CB 3.98Å; L254-I300 HydrophobicContact CG-CG2 3.82Å; L254-I300 PolarHBondContact N-O 3.44Å; L254-L302 HydrophobicContact CD2-CD2 4.09Å; L254-I310 HydrophobicContact CD2-CG2 4.37Å; L254-L361 HydrophobicContact CB-CD2 4.06Å; L254-L361 HydrophobicContact CD1-CD1 4.12Å; L254-L361 HydrophobicContact CD1-CD2 4.05Å
255	Y	96.8	Very high	96.2	Very high	77 Å²	77	51.9 Å²	51.9	30%	0.302	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-44.5	171.5	-179.2	-100.7	0	0	0	111.3	N253 V257 I258 K259 F263 E298	N253-Y255 VanDerWaalsContact C-N 3.29Å; N253-Y255 PolarHBondContact O-N 3.3Å; N253-Y255 WeakPolarHBondContact OD1-CA 3.38Å; N253-Y255 VanDerWaalsContact OD1-CB 3.26Å; N253-Y255 WeakPolarHBondContact OD1-CB 3.47Å; N253-Y255 PolarHBondContact OD1-N 2.88Å; Y255-V257 VanDerWaalsContact C-N 3.28Å; Y255-V257 PolarHBondContact O-N 2.82Å; Y255-I258 WeakPolarHBondContact O-CB 3.18Å; Y255-I258 PolarHBondContact O-N 3.3Å; Y255-I258 VanDerWaalsContact O-N 3.17Å; Y255-K259 HydrophobicContact CE1-CD 4.38Å; Y255-K259 WeakPolarHBondContact O-CB 3.5Å; Y255-K259 PolarHBondContact O-N 2.99Å; Y255-F263 HydrophobicContact CE2-CE1 4.4Å; Y255-E298 HydrophobicContact CG-CG 4.4Å
256	E	94.7	Very high	96.1	Very high	39 Å²	39	52.3 Å²	52.3	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-33.8	175.3	-69.3	-57.9	130.5	0	0	111.5	F252 N253 K259 I260	F252-E256 HydrophobicContact CB-CB 4.21Å; N253-E256 PolarHBondContact O-N 3.38Å; N253-E256 PolarHBondContact OD1-N 3.43Å; E256-K259 PolarHBondContact O-N 3.3Å; E256-K259 IonicContact OE1-NZ 3.49Å; E256-K259 PolarHBondContact OE1-NZ 3.41Å; E256-K259 IonicContact OE2-NZ 3.78Å; E256-K259 PolarHBondContact OE2-NZ 3.02Å; E256-I260 WeakPolarHBondContact O-CB 3.42Å; E256-I260 WeakPolarHBondContact O-CD1 3.45Å; E256-I260 WeakPolarHBondContact O-CG1 3.34Å; E256-I260 PolarHBondContact O-N 2.96Å
257	V	95.3	Very high	96.1	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-60.5	-45.8	171.8	177.6	0	0	0	0	111.4	L41 N253 L254 Y255 K259 I260 N261 L266 L302	L41-V257 HydrophobicContact CD2-CG1 4Å; N253-V257 PolarHBondContact O-N 2.86Å; L254-V257 HydrophobicContact CD2-CG2 4.26Å; L254-V257 WeakPolarHBondContact O-CB 3.48Å; L254-V257 PolarHBondContact O-N 3.05Å; Y255-V257 VanDerWaalsContact C-N 3.28Å; Y255-V257 PolarHBondContact O-N 2.82Å; V257-K259 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 2.99Å; V257-I260 PolarHBondContact O-N 3.11Å; V257-N261 PolarHBondContact O-N 2.86Å; V257-L266 HydrophobicContact CG1-CD1 4.32Å; V257-L266 HydrophobicContact CG1-CD2 4.41Å; V257-L302 HydrophobicContact CG2-CD1 3.8Å; V257-L302 HydrophobicContact CG2-CG 4.26Å
258	I	96.5	Very high	96	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-43.3	176.1	-67.7	159.2	0	0	0	110.9	L254 Y255 N261 R262 F263 E360 L361	L254-I258 WeakPolarHBondContact O-CG1 3.5Å; L254-I258 PolarHBondContact O-N 3.33Å; Y255-I258 WeakPolarHBondContact O-CB 3.18Å; Y255-I258 PolarHBondContact O-N 3.3Å; Y255-I258 VanDerWaalsContact O-N 3.17Å; I258-N261 CarbonylContact O-C 3.58Å; I258-N261 WeakPolarHBondContact O-CA 3.27Å; I258-N261 WeakPolarHBondContact O-CB 3.31Å; I258-N261 PolarHBondContact O-N 3.45Å; I258-R262 PolarHBondContact O-N 3.47Å; I258-F263 HydrophobicContact CG2-CD1 3.64Å; I258-F263 HydrophobicContact CG2-CE1 4.16Å; I258-F263 HydrophobicContact CG2-CG 4.41Å; I258-F263 PolarHBondContact O-N 3.3Å; I258-E360 HydrophobicContact CD1-CG 3.88Å; I258-L361 HydrophobicContact CD1-CD2 3.98Å; I258-L361 HydrophobicContact CG1-CD2 4.16Å
259	K	96.2	Very high	96	Very high	94 Å²	94	55.3 Å²	55.3	41%	0.409	27%	0.267	S	S	.	.	H	α-helix	trans	-68.5	-42.1	-179.3	-179.5	177	160.7	-152.1	0	112.8	Y255 E256 V257 N261 R262 F263	Y255-K259 HydrophobicContact CE1-CD 4.38Å; Y255-K259 WeakPolarHBondContact O-CB 3.5Å; Y255-K259 PolarHBondContact O-N 2.99Å; E256-K259 PolarHBondContact O-N 3.3Å; E256-K259 IonicContact OE1-NZ 3.49Å; E256-K259 PolarHBondContact OE1-NZ 3.41Å; E256-K259 IonicContact OE2-NZ 3.78Å; E256-K259 PolarHBondContact OE2-NZ 3.02Å; V257-K259 VanDerWaalsContact C-N 3.31Å; V257-K259 PolarHBondContact O-N 2.99Å; K259-N261 PolarHBondContact O-N 3.13Å; K259-R262 WeakPolarHBondContact O-CA 3.33Å; K259-R262 PolarHBondContact O-N 2.75Å; K259-F263 HydrophobicContact CB-CE1 4.4Å; K259-F263 HydrophobicContact CB-CE2 4.42Å; K259-F263 HydrophobicContact CB-CZ 3.94Å; K259-F263 HydrophobicContact CG-CE2 4.21Å; K259-F263 HydrophobicContact CG-CZ 3.96Å
260	I	93.9	Very high	95.9	Very high	79 Å²	79	53.5 Å²	53.5	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-38	171.7	-71.2	163.9	0	0	0	109.8	E256 V257 R262	E256-I260 WeakPolarHBondContact O-CB 3.42Å; E256-I260 WeakPolarHBondContact O-CD1 3.45Å; E256-I260 WeakPolarHBondContact O-CG1 3.34Å; E256-I260 PolarHBondContact O-N 2.96Å; V257-I260 PolarHBondContact O-N 3.11Å; I260-R262 PolarHBondContact O-N 2.92Å
261	N	94.5	Very high	96	Very high	32 Å²	32	52.2 Å²	52.2	17%	0.171	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	11.4	172.2	-158.9	23.7	0	0	0	114.7	L41 V257 I258 K259 F263 R264 G265 L266	L41-N261 HydrophobicContact CD1-CB 3.36Å; L41-N261 WeakPolarHBondContact CD1-OD1 3.34Å; V257-N261 PolarHBondContact O-N 2.86Å; I258-N261 CarbonylContact O-C 3.58Å; I258-N261 WeakPolarHBondContact O-CA 3.27Å; I258-N261 WeakPolarHBondContact O-CB 3.31Å; I258-N261 PolarHBondContact O-N 3.45Å; K259-N261 PolarHBondContact O-N 3.13Å; N261-F263 PolarHBondContact O-N 3.13Å; N261-F263 VanDerWaalsContact O-N 3.13Å; N261-R264 WeakPolarHBondContact O-CB 3.35Å; N261-R264 WeakPolarHBondContact O-CG 3.28Å; N261-R264 PolarHBondContact O-N 3.49Å; N261-R264 VanDerWaalsContact O-N 3.14Å; N261-G265 PolarHBondContact ND2-O 3.16Å; N261-L266 HydrophobicContact CB-CD2 4.39Å
262	R	97.2	Very high	96.1	Very high	186 Å²	186	51.8 Å²	51.8	70%	0.702	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.1	178.8	-51.8	-179.5	-176.2	178.5	0.7	113.1	I258 K259 I260 R264	I258-R262 PolarHBondContact O-N 3.47Å; K259-R262 WeakPolarHBondContact O-CA 3.33Å; K259-R262 PolarHBondContact O-N 2.75Å; I260-R262 PolarHBondContact O-N 2.92Å; R262-R264 PolarHBondContact O-N 2.82Å; R262-R264 VanDerWaalsContact O-N 3.08Å
263	F	97	Very high	96.4	Very high	84 Å²	84	49.3 Å²	49.3	37%	0.368	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	23.9	177.8	-51.2	-85.4	0	0	0	114.4	Y255 I258 K259 N261 G265 G364	Y255-F263 HydrophobicContact CE2-CE1 4.4Å; I258-F263 HydrophobicContact CG2-CD1 3.64Å; I258-F263 HydrophobicContact CG2-CE1 4.16Å; I258-F263 HydrophobicContact CG2-CG 4.41Å; I258-F263 PolarHBondContact O-N 3.3Å; K259-F263 HydrophobicContact CB-CE1 4.4Å; K259-F263 HydrophobicContact CB-CE2 4.42Å; K259-F263 HydrophobicContact CB-CZ 3.94Å; K259-F263 HydrophobicContact CG-CE2 4.21Å; K259-F263 HydrophobicContact CG-CZ 3.96Å; N261-F263 PolarHBondContact O-N 3.13Å; N261-F263 VanDerWaalsContact O-N 3.13Å; F263-G265 VanDerWaalsContact C-N 3.26Å; F263-G265 PolarHBondContact O-N 3.08Å; F263-G364 WeakPolarHBondContact CD1-O 3.46Å
264	R	96.9	Very high	96.5	Very high	184 Å²	184	49 Å²	49	69%	0.694	23%	0.232	S	C	*	.			trans	-75.3	-16.4	176.7	-68.5	-179.2	175.7	-174.3	-3.3	113.4	N261 R262	N261-R264 WeakPolarHBondContact O-CB 3.35Å; N261-R264 WeakPolarHBondContact O-CG 3.28Å; N261-R264 PolarHBondContact O-N 3.49Å; N261-R264 VanDerWaalsContact O-N 3.14Å; R262-R264 PolarHBondContact O-N 2.82Å; R262-R264 VanDerWaalsContact O-N 3.08Å
265	G	96.6	Very high	96.5	Very high	13 Å²	13	49 Å²	49	13%	0.134	23%	0.232	C	C	.	.			trans	84.6	157.7	-174	0	0	0	0	0	113	N261 F263 H362	N261-G265 PolarHBondContact ND2-O 3.16Å; F263-G265 VanDerWaalsContact C-N 3.26Å; F263-G265 PolarHBondContact O-N 3.08Å; G265-H362 CarbonylContact C-O 3.6Å; G265-H362 WeakPolarHBondContact CA-O 3.2Å
266	L	97	Very high	96.5	Very high	9 Å²	9	47 Å²	47	5%	0.047	23%	0.23	C	C	.	.			trans	-102	147.7	-175.8	-56	176.9	0	0	0	110.9	V257 N261 L270 V271 F274 L361 H362	V257-L266 HydrophobicContact CG1-CD1 4.32Å; V257-L266 HydrophobicContact CG1-CD2 4.41Å; N261-L266 HydrophobicContact CB-CD2 4.39Å; L266-L270 HydrophobicContact CB-CD2 4.49Å; L266-L270 HydrophobicContact CD1-CD2 4.2Å; L266-L270 HydrophobicContact CD2-CD2 4.23Å; L266-V271 HydrophobicContact CB-CG2 3.87Å; L266-F274 HydrophobicContact CD1-CD2 4.27Å; L266-F274 HydrophobicContact CD1-CE2 3.82Å; L266-L361 WeakPolarHBondContact CB-O 3.18Å; L266-L361 HydrophobicContact CD1-CB 4.34Å; L266-L361 HydrophobicContact CD1-CD2 3.99Å; L266-L361 WeakPolarHBondContact CG-O 3.21Å; L266-L361 PolarHBondContact N-O 3.05Å; L266-H362 PolarHBondContact N-O 2.84Å; L266-H362 PolarHBondContact O-ND1 3.48Å
267	G	96.5	Very high	96.7	Very high	49 Å²	49	45.6 Å²	45.6	51%	0.505	23%	0.225	S	C	.	.			trans	-64.1	142.3	174.1	0	0	0	0	0	112	P269 L270 V271	G267-P269 VanDerWaalsContact C-N 3.3Å; G267-P269 VanDerWaalsContact O-N 3.15Å; G267-L270 PolarHBondContact O-N 3.36Å; G267-V271 PolarHBondContact O-N 3.14Å; G267-V271 VanDerWaalsContact O-N 3.12Å
268	L	96.9	Very high	96.8	Very high	27 Å²	27	45.3 Å²	45.3	14%	0.141	22%	0.223	C	C	.	.	H	α-helix	trans	-52.3	-35.4	-176.9	-69.2	178.5	0	0	0	115.1	L270 V271 R272 D451 F454	L268-L270 VanDerWaalsContact C-N 3.32Å; L268-L270 PolarHBondContact O-N 3.28Å; L268-V271 PolarHBondContact O-N 2.98Å; L268-R272 VanDerWaalsContact O-CB 3.32Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.73Å; L268-D451 HydrophobicContact CD1-CB 3.53Å; L268-F454 HydrophobicContact CD1-CB 4.48Å; L268-F454 HydrophobicContact CD2-CB 4.37Å; L268-F454 HydrophobicContact CD2-CD1 3.72Å; L268-F454 HydrophobicContact CD2-CD2 4.09Å; L268-F454 HydrophobicContact CD2-CE1 3.95Å; L268-F454 HydrophobicContact CD2-CE2 4.28Å; L268-F454 HydrophobicContact CD2-CG 3.78Å; L268-F454 HydrophobicContact CD2-CZ 4.22Å
269	P	95.9	Very high	96.9	Very high	56 Å²	56	45.2 Å²	45.2	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-39.7	174.8	-26.9	36.3	0	0	0	113.8	L46 G267 K273	L46-P269 HydrophobicContact CD2-CB 4.37Å; G267-P269 VanDerWaalsContact C-N 3.3Å; G267-P269 VanDerWaalsContact O-N 3.15Å; P269-K273 PolarHBondContact O-N 2.85Å; P269-K273 VanDerWaalsContact O-N 3.16Å
270	L	96.3	Very high	97	Very high	22 Å²	22	44.8 Å²	44.8	12%	0.115	22%	0.222	C	C	.	.	H	α-helix	trans	-74.8	-41.1	177.4	-179.5	59.8	0	0	0	111.1	L44 L266 G267 L268 R272 K273 F274	L44-L270 HydrophobicContact CD1-CD1 4.49Å; L44-L270 HydrophobicContact CD1-CD2 3.87Å; L266-L270 HydrophobicContact CB-CD2 4.49Å; L266-L270 HydrophobicContact CD1-CD2 4.2Å; L266-L270 HydrophobicContact CD2-CD2 4.23Å; G267-L270 PolarHBondContact O-N 3.36Å; L268-L270 VanDerWaalsContact C-N 3.32Å; L268-L270 PolarHBondContact O-N 3.28Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3.13Å; L270-K273 PolarHBondContact O-N 3.09Å; L270-K273 VanDerWaalsContact O-N 3.1Å; L270-F274 HydrophobicContact CD1-CD2 4.37Å; L270-F274 HydrophobicContact CD1-CE1 4.36Å; L270-F274 HydrophobicContact CD1-CE2 3.83Å; L270-F274 HydrophobicContact CD1-CZ 3.82Å; L270-F274 HydrophobicContact CD2-CE2 4.05Å; L270-F274 HydrophobicContact CD2-CZ 4.46Å; L270-F274 HydrophobicContact CG-CD2 4.13Å; L270-F274 HydrophobicContact CG-CE2 3.65Å; L270-F274 HydrophobicContact CG-CZ 4.14Å; L270-F274 PolarHBondContact O-N 3.28Å
271	V	98.1	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.8	-42.4	173.5	-179.3	0	0	0	0	110.4	L266 G267 L268 F274 A275 L358 L361 H362 F454 W480	L266-V271 HydrophobicContact CB-CG2 3.87Å; G267-V271 PolarHBondContact O-N 3.14Å; G267-V271 VanDerWaalsContact O-N 3.12Å; L268-V271 PolarHBondContact O-N 2.98Å; V271-F274 PolarHBondContact O-N 3.18Å; V271-A275 WeakPolarHBondContact O-CB 3.35Å; V271-A275 PolarHBondContact O-N 2.89Å; V271-L358 HydrophobicContact CG1-CB 4.41Å; V271-L358 HydrophobicContact CG1-CD2 4.07Å; V271-L361 HydrophobicContact CG1-CB 4.36Å; V271-L361 HydrophobicContact CG2-CB 4.18Å; V271-H362 HydrophobicContact CG2-CB 4.2Å; V271-F454 HydrophobicContact CG1-CE2 4.36Å; V271-W480 HydrophobicContact CG1-CH2 4.13Å; V271-W480 HydrophobicContact CG1-CZ2 4.34Å
272	R	97.8	Very high	97.4	Very high	21 Å²	21	39.8 Å²	39.8	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-41.7	175.1	-170.9	-173.5	-59.1	118.8	9.4	112.3	L268 L270 A275 C276 W480 I481 N485	L268-R272 VanDerWaalsContact O-CB 3.32Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.73Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3.13Å; R272-A275 WeakPolarHBondContact O-CB 3.46Å; R272-A275 PolarHBondContact O-N 3.29Å; R272-C276 PolarHBondContact O-N 2.95Å; R272-C276 PolarHBondContact O-SG 2.67Å; R272-W480 HydrophobicContact CB-CH2 4.19Å; R272-W480 HydrophobicContact CB-CZ2 3.91Å; R272-W480 VanDerWaalsContact CD-O 3.22Å; R272-W480 WeakPolarHBondContact CD-O 3.19Å; R272-W480 HydrophobicContact CG-CZ2 4.42Å; R272-W480 PolarHBondContact NE-O 3.24Å; R272-I481 HydrophobicContact CG-CD1 4.26Å; R272-N485 PolarHBondContact NH1-OD1 2.98Å; R272-N485 VanDerWaalsContact NH1-OD1 3.07Å
273	K	96.2	Very high	97.4	Very high	49 Å²	49	33.3 Å²	33.3	21%	0.213	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-43.5	177.1	-173.9	161.9	177	-179.8	0	111.7	H45 G47 P269 L270 A275 C276 G277 S308	H45-K273 PolarHBondContact O-NZ 3.19Å; G47-K273 PolarHBondContact O-NZ 2.79Å; P269-K273 PolarHBondContact O-N 2.85Å; P269-K273 VanDerWaalsContact O-N 3.16Å; L270-K273 PolarHBondContact O-N 3.09Å; L270-K273 VanDerWaalsContact O-N 3.1Å; K273-A275 VanDerWaalsContact C-N 3.34Å; K273-C276 PolarHBondContact O-N 3.2Å; K273-G277 PolarHBondContact O-N 2.84Å; K273-S308 WeakPolarHBondContact CD-OG 3.45Å; K273-S308 WeakPolarHBondContact CE-OG 3.29Å; K273-S308 PolarHBondContact NZ-OG 3.01Å
274	F	98	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-40.4	171.6	-66.4	-39.9	0	0	0	112	L254 L266 L270 V271 C276 G277 I278 L302 S308 I310 L361	L254-F274 HydrophobicContact CD1-CG 4.32Å; L254-F274 HydrophobicContact CD2-CD1 4.15Å; L254-F274 HydrophobicContact CD2-CD2 4.3Å; L254-F274 HydrophobicContact CD2-CE1 3.82Å; L254-F274 HydrophobicContact CD2-CE2 3.96Å; L254-F274 HydrophobicContact CD2-CG 4.39Å; L254-F274 HydrophobicContact CD2-CZ 3.72Å; L266-F274 HydrophobicContact CD1-CD2 4.27Å; L266-F274 HydrophobicContact CD1-CE2 3.82Å; L270-F274 HydrophobicContact CD1-CD2 4.37Å; L270-F274 HydrophobicContact CD1-CE1 4.36Å; L270-F274 HydrophobicContact CD1-CE2 3.83Å; L270-F274 HydrophobicContact CD1-CZ 3.82Å; L270-F274 HydrophobicContact CD2-CE2 4.05Å; L270-F274 HydrophobicContact CD2-CZ 4.46Å; L270-F274 HydrophobicContact CG-CD2 4.13Å; L270-F274 HydrophobicContact CG-CE2 3.65Å; L270-F274 HydrophobicContact CG-CZ 4.14Å; L270-F274 PolarHBondContact O-N 3.28Å; V271-F274 PolarHBondContact O-N 3.18Å; F274-C276 PolarHBondContact O-N 3.42Å; F274-G277 PolarHBondContact O-N 3.45Å; F274-I278 WeakPolarHBondContact O-CD1 3.41Å; F274-I278 VanDerWaalsContact O-CG1 3.27Å; F274-I278 WeakPolarHBondContact O-CG1 3.44Å; F274-I278 PolarHBondContact O-N 2.82Å; F274-L302 HydrophobicContact CE1-CD2 3.68Å; F274-L302 HydrophobicContact CZ-CD2 3.98Å; F274-S308 WeakPolarHBondContact CE1-O 3.48Å; F274-I310 HydrophobicContact CD1-CG2 3.57Å; F274-I310 HydrophobicContact CE1-CG2 3.71Å; F274-L361 HydrophobicContact CB-CD1 4.22Å; F274-L361 HydrophobicContact CD2-CD1 4.24Å
275	A	98.6	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-48	177	0	0	0	0	0	112	V271 R272 K273 G277 I278 L279 F354 L358 W480 I481	V271-A275 WeakPolarHBondContact O-CB 3.35Å; V271-A275 PolarHBondContact O-N 2.89Å; R272-A275 WeakPolarHBondContact O-CB 3.46Å; R272-A275 PolarHBondContact O-N 3.29Å; K273-A275 VanDerWaalsContact C-N 3.34Å; A275-G277 VanDerWaalsContact C-N 3.34Å; A275-G277 PolarHBondContact O-N 3.05Å; A275-I278 PolarHBondContact O-N 2.76Å; A275-L279 WeakPolarHBondContact O-CB 3.46Å; A275-L279 VanDerWaalsContact O-CG 3.25Å; A275-L279 WeakPolarHBondContact O-CG 3.37Å; A275-L279 PolarHBondContact O-N 3.2Å; A275-F354 HydrophobicContact CB-CE2 4.15Å; A275-F354 HydrophobicContact CB-CZ 3.96Å; A275-L358 HydrophobicContact CB-CD1 4.15Å; A275-L358 HydrophobicContact CB-CD2 3.73Å; A275-W480 HydrophobicContact CB-CH2 3.84Å; A275-W480 HydrophobicContact CB-CZ3 3.7Å; A275-I481 HydrophobicContact CB-CD1 3.87Å
276	C	97.5	Very high	97.4	Very high	37 Å²	37	22.5 Å²	22.5	25%	0.25	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-46.3	175.5	-65.2	0	0	0	0	112	R272 K273 F274 I278 L279 Q280	R272-C276 PolarHBondContact O-N 2.95Å; R272-C276 PolarHBondContact O-SG 2.67Å; K273-C276 PolarHBondContact O-N 3.2Å; F274-C276 PolarHBondContact O-N 3.42Å; C276-I278 PolarHBondContact O-N 3.04Å; C276-L279 PolarHBondContact O-N 3.49Å; C276-Q280 WeakPolarHBondContact O-CG 3.33Å; C276-Q280 PolarHBondContact O-N 3.07Å
277	G	97.3	Very high	97.4	Very high	8 Å²	8	28.9 Å²	28.9	8%	0.082	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-41.9	-179.9	0	0	0	0	0	112.9	N229 K273 F274 A275	N229-G277 VanDerWaalsContact ND2-CA 3.34Å; N229-G277 WeakPolarHBondContact ND2-CA 3.44Å; N229-G277 PolarHBondContact ND2-O 3.47Å; K273-G277 PolarHBondContact O-N 2.84Å; F274-G277 PolarHBondContact O-N 3.45Å; A275-G277 VanDerWaalsContact C-N 3.34Å; A275-G277 PolarHBondContact O-N 3.05Å
278	I	98.7	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.7	-42.2	178.1	-61.9	159.4	0	0	0	110.4	F274 A275 C276 Q280 C281 L282 L295 I300 I310 F354 I357	F274-I278 WeakPolarHBondContact O-CD1 3.41Å; F274-I278 VanDerWaalsContact O-CG1 3.27Å; F274-I278 WeakPolarHBondContact O-CG1 3.44Å; F274-I278 PolarHBondContact O-N 2.82Å; A275-I278 PolarHBondContact O-N 2.76Å; C276-I278 PolarHBondContact O-N 3.04Å; I278-Q280 VanDerWaalsContact C-N 3.32Å; I278-Q280 PolarHBondContact O-N 3.12Å; I278-C281 WeakPolarHBondContact O-CB 3.48Å; I278-C281 PolarHBondContact O-N 3.26Å; I278-C281 VanDerWaalsContact O-N 3.09Å; I278-L282 HydrophobicContact CG2-CD1 4.07Å; I278-L282 HydrophobicContact CG2-CG 4.22Å; I278-L282 WeakPolarHBondContact O-CG 3.05Å; I278-L282 PolarHBondContact O-N 2.9Å; I278-L295 HydrophobicContact CG2-CD2 4.12Å; I278-I300 HydrophobicContact CD1-CD1 3.68Å; I278-I300 HydrophobicContact CG1-CD1 3.94Å; I278-I300 HydrophobicContact CG1-CG2 4.34Å; I278-I310 HydrophobicContact CG1-CD1 4.32Å; I278-F354 HydrophobicContact CB-CD2 4.09Å; I278-F354 HydrophobicContact CB-CE2 3.96Å; I278-F354 HydrophobicContact CD1-CD2 4.27Å; I278-F354 HydrophobicContact CD1-CE2 4.24Å; I278-F354 HydrophobicContact CG2-CD2 3.59Å; I278-F354 HydrophobicContact CG2-CE2 3.97Å; I278-I357 HydrophobicContact CD1-CG2 4.43Å
279	L	98.6	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-35.7	178.4	-75.3	171.8	0	0	0	113.1	A275 C276 C281 L282 E283 M351 F354 F457 P472 A475 L476 I481	A275-L279 WeakPolarHBondContact O-CB 3.46Å; A275-L279 VanDerWaalsContact O-CG 3.25Å; A275-L279 WeakPolarHBondContact O-CG 3.37Å; A275-L279 PolarHBondContact O-N 3.2Å; C276-L279 PolarHBondContact O-N 3.49Å; L279-C281 VanDerWaalsContact C-N 3.26Å; L279-C281 PolarHBondContact O-N 3.24Å; L279-L282 PolarHBondContact O-N 3.45Å; L279-E283 WeakPolarHBondContact O-CB 3.29Å; L279-E283 PolarHBondContact O-N 3.02Å; L279-M351 HydrophobicContact CD2-CE 4.23Å; L279-M351 HydrophobicContact CD2-SD 4.22Å; L279-F354 HydrophobicContact CD1-CE1 4.46Å; L279-F354 HydrophobicContact CD1-CZ 4.04Å; L279-F354 HydrophobicContact CD2-CD1 4.38Å; L279-F354 HydrophobicContact CD2-CE1 3.73Å; L279-F354 HydrophobicContact CD2-CZ 3.83Å; L279-F354 HydrophobicContact CG-CE1 4.07Å; L279-F354 HydrophobicContact CG-CE2 4.28Å; L279-F354 HydrophobicContact CG-CZ 3.64Å; L279-F457 HydrophobicContact CD1-CZ 4.18Å; L279-P472 HydrophobicContact CD2-CB 4.43Å; L279-A475 HydrophobicContact CD1-CB 3.88Å; L279-A475 HydrophobicContact CD2-CB 3.52Å; L279-A475 HydrophobicContact CG-CB 4.37Å; L279-L476 HydrophobicContact CB-CD2 3.69Å; L279-L476 HydrophobicContact CB-CG 3.96Å; L279-L476 HydrophobicContact CD1-CD2 4.02Å; L279-L476 HydrophobicContact CD1-CG 4.24Å; L279-I481 HydrophobicContact CD1-CD1 4.02Å; L279-I481 HydrophobicContact CD1-CG1 4.14Å
280	Q	97.4	Very high	97.4	Very high	84 Å²	84	31 Å²	31	39%	0.393	14%	0.138	S	C	.	.	H	α-helix	trans	-59.3	-38.4	173.3	-74.1	169.7	-34.4	0	0	111.8	N229 C276 I278 M284	N229-Q280 PolarHBondContact ND2-OE1 3.24Å; C276-Q280 WeakPolarHBondContact O-CG 3.33Å; C276-Q280 PolarHBondContact O-N 3.07Å; I278-Q280 VanDerWaalsContact C-N 3.32Å; I278-Q280 PolarHBondContact O-N 3.12Å; Q280-M284 PolarHBondContact O-N 3.32Å
281	C	98.3	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-51.3	172.3	177.4	0	0	0	0	111.3	S228 I278 L279 E283 M284 L285 V312	S228-C281 WeakPolarHBondContact O-CA 3.41Å; S228-C281 VanDerWaalsContact O-CB 3.26Å; S228-C281 WeakPolarHBondContact O-CB 3.03Å; S228-C281 PolarHBondContact O-N 3.49Å; I278-C281 WeakPolarHBondContact O-CB 3.48Å; I278-C281 PolarHBondContact O-N 3.26Å; I278-C281 VanDerWaalsContact O-N 3.09Å; L279-C281 VanDerWaalsContact C-N 3.26Å; L279-C281 PolarHBondContact O-N 3.24Å; C281-E283 VanDerWaalsContact C-N 3.25Å; C281-E283 PolarHBondContact O-N 3.1Å; C281-M284 WeakPolarHBondContact O-CA 3.35Å; C281-M284 VanDerWaalsContact O-CB 3.29Å; C281-M284 WeakPolarHBondContact O-CB 3.17Å; C281-M284 PolarHBondContact O-N 2.69Å; C281-L285 WeakPolarHBondContact O-CG 3.26Å; C281-L285 PolarHBondContact O-N 2.97Å; C281-V312 HydrophobicContact CB-CB 4.34Å; C281-V312 HydrophobicContact CB-CG2 3.7Å
282	L	98.6	Very high	97.5	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-33.1	-177.7	-64.1	-179	0	0	0	112.9	I278 L279 L285 Q286 L295 D350 M351 F354 P472	I278-L282 HydrophobicContact CG2-CD1 4.07Å; I278-L282 HydrophobicContact CG2-CG 4.22Å; I278-L282 WeakPolarHBondContact O-CG 3.05Å; I278-L282 PolarHBondContact O-N 2.9Å; L279-L282 PolarHBondContact O-N 3.45Å; L282-L285 HydrophobicContact CD2-CD1 4.32Å; L282-L285 PolarHBondContact O-N 3.15Å; L282-Q286 WeakPolarHBondContact O-CB 3.26Å; L282-Q286 PolarHBondContact O-N 2.96Å; L282-L295 HydrophobicContact CD1-CD2 4.37Å; L282-L295 HydrophobicContact CD2-CD2 4.28Å; L282-D350 HydrophobicContact CD2-CB 3.86Å; L282-M351 HydrophobicContact CD1-SD 3.77Å; L282-F354 HydrophobicContact CD1-CB 4.02Å; L282-F354 HydrophobicContact CD1-CG 4.19Å; L282-P472 HydrophobicContact CB-CB 4Å; L282-P472 HydrophobicContact CB-CG 3.64Å
283	E	97.4	Very high	97.5	Very high	51 Å²	51	29 Å²	29	24%	0.238	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-40.8	173.1	-168.5	-173.9	-125.7	0	0	111.7	L279 C281 L285 Q286 R287 P472 L476	L279-E283 WeakPolarHBondContact O-CB 3.29Å; L279-E283 PolarHBondContact O-N 3.02Å; C281-E283 VanDerWaalsContact C-N 3.25Å; C281-E283 PolarHBondContact O-N 3.1Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.41Å; E283-Q286 PolarHBondContact O-N 3.39Å; E283-R287 WeakPolarHBondContact O-CG 3.4Å; E283-R287 PolarHBondContact O-N 3.38Å; E283-R287 IonicContact OE2-CZ 3.66Å; E283-R287 IonicContact OE2-NE 2.82Å; E283-R287 IonicContact OE2-NH2 3.63Å; E283-R287 PolarHBondContact OE2-NH2 2.88Å; E283-P472 HydrophobicContact CB-CB 4.19Å; E283-L476 HydrophobicContact CB-CD1 4.27Å; E283-L476 HydrophobicContact CG-CD1 4.41Å; E283-L476 WeakPolarHBondContact OE1-CD1 3.34Å
284	M	96.8	Very high	97.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-43	173.7	179.7	65.1	174.7	0	0	111.9	L219 N222 D223 Q280 C281 R287 H288	L219-M284 HydrophobicContact CD2-CE 3.89Å; L219-M284 HydrophobicContact CD2-CG 3.77Å; N222-M284 HydrophobicContact CB-CE 3.41Å; N222-M284 VanDerWaalsContact CB-CE 3.41Å; D223-M284 HydrophobicContact CB-CE 4.16Å; Q280-M284 PolarHBondContact O-N 3.32Å; C281-M284 WeakPolarHBondContact O-CA 3.35Å; C281-M284 VanDerWaalsContact O-CB 3.29Å; C281-M284 WeakPolarHBondContact O-CB 3.17Å; C281-M284 PolarHBondContact O-N 2.69Å; M284-R287 PolarHBondContact O-N 3.28Å; M284-R287 PolarHBondContact SD-NH1 3.21Å; M284-H288 VanDerWaalsContact CE-CE1 3.44Å; M284-H288 WeakPolarHBondContact CE-CE1 3.27Å; M284-H288 PolarHBondContact O-N 2.73Å; M284-H288 PolarHBondContact O-ND1 3.34Å
285	L	97.8	Very high	97.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-42.1	176.6	-56.7	-170.5	0	0	0	111.3	L219 C281 L282 E283 R287 H288 R289 L290 H292 F315	L219-L285 HydrophobicContact CD1-CD2 4.08Å; L219-L285 HydrophobicContact CD2-CD2 3.86Å; C281-L285 WeakPolarHBondContact O-CG 3.26Å; C281-L285 PolarHBondContact O-N 2.97Å; L282-L285 HydrophobicContact CD2-CD1 4.32Å; L282-L285 PolarHBondContact O-N 3.15Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.41Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.19Å; L285-H288 CarbonylContact O-C 3.37Å; L285-H288 PolarHBondContact O-N 3.5Å; L285-H288 VanDerWaalsContact O-N 3.12Å; L285-R289 PolarHBondContact O-N 3Å; L285-R289 VanDerWaalsContact O-N 3.1Å; L285-L290 HydrophobicContact CB-CB 4.02Å; L285-L290 HydrophobicContact CD2-CB 4.23Å; L285-L290 HydrophobicContact CD2-CD1 4.06Å; L285-L290 PolarHBondContact O-N 2.91Å; L285-H292 HydrophobicContact CD1-CB 3.9Å; L285-F315 HydrophobicContact CD1-CE1 4.14Å; L285-F315 HydrophobicContact CD2-CE1 3.72Å; L285-F315 HydrophobicContact CD2-CZ 4.36Å
286	Q	96.6	Very high	97.5	Very high	50 Å²	50	27.6 Å²	27.6	23%	0.234	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-44.7	178	-172.4	-179.8	14.2	0	0	111.9	L282 E283 H288 R289 M347 P472	L282-Q286 WeakPolarHBondContact O-CB 3.26Å; L282-Q286 PolarHBondContact O-N 2.96Å; E283-Q286 PolarHBondContact O-N 3.39Å; Q286-H288 PolarHBondContact O-N 2.8Å; Q286-R289 PolarHBondContact O-N 2.57Å; Q286-R289 VanDerWaalsContact O-N 3.14Å; Q286-M347 HydrophobicContact CB-SD 4.35Å; Q286-M347 HydrophobicContact CG-CE 3.98Å; Q286-M347 HydrophobicContact CG-SD 4.17Å; Q286-P472 HydrophobicContact CB-CG 4.46Å; Q286-P472 VanDerWaalsContact OE1-CD 3.32Å
287	R	95.8	Very high	97.6	Very high	144 Å²	144	25.9 Å²	25.9	54%	0.543	11%	0.112	S	C	.	.	H	α-helix	trans	-58.2	-31.3	177.6	-75.1	-177.2	-115.2	122.1	-4.2	113	E283 M284 L285	E283-R287 WeakPolarHBondContact O-CG 3.4Å; E283-R287 PolarHBondContact O-N 3.38Å; E283-R287 IonicContact OE2-CZ 3.66Å; E283-R287 IonicContact OE2-NE 2.82Å; E283-R287 IonicContact OE2-NH2 3.63Å; E283-R287 PolarHBondContact OE2-NH2 2.88Å; M284-R287 PolarHBondContact O-N 3.28Å; M284-R287 PolarHBondContact SD-NH1 3.21Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.19Å
288	H	95.9	Very high	97.5	Very high	49 Å²	49	26.5 Å²	26.5	23%	0.227	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.4	-178.6	-62.5	90.4	0	0	0	113.7	M218 M284 L285 Q286 L290	M218-H288 HydrophobicContact CE-CB 3.59Å; M218-H288 HydrophobicContact SD-CB 4.13Å; M218-H288 PolarHBondContact SD-CD2 2.79Å; M218-H288 VanDerWaalsContact SD-CG 3.57Å; M284-H288 VanDerWaalsContact CE-CE1 3.44Å; M284-H288 WeakPolarHBondContact CE-CE1 3.27Å; M284-H288 PolarHBondContact O-N 2.73Å; M284-H288 PolarHBondContact O-ND1 3.34Å; L285-H288 CarbonylContact O-C 3.37Å; L285-H288 PolarHBondContact O-N 3.5Å; L285-H288 VanDerWaalsContact O-N 3.12Å; Q286-H288 PolarHBondContact O-N 2.8Å; H288-L290 HydrophobicContact CB-CD1 4.24Å; H288-L290 HydrophobicContact CB-CG 4.19Å; H288-L290 PolarHBondContact O-N 3.38Å
289	R	97	Very high	97.5	Very high	124 Å²	124	26.7 Å²	26.7	47%	0.468	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	41.8	-177.3	-57.7	173.4	61.2	86.1	-1.6	112.2	L285 Q286 F320 V321 D322	L285-R289 PolarHBondContact O-N 3Å; L285-R289 VanDerWaalsContact O-N 3.1Å; Q286-R289 PolarHBondContact O-N 2.57Å; Q286-R289 VanDerWaalsContact O-N 3.14Å; R289-F320 WeakPolarHBondContact O-CA 3.25Å; R289-V321 HydrophobicContact CB-CB 4.49Å; R289-V321 HydrophobicContact CB-CG2 4.25Å; R289-V321 WeakPolarHBondContact O-CG2 3.25Å; R289-V321 PolarHBondContact O-N 3.47Å; R289-D322 IonicContact CZ-OD2 2.78Å; R289-D322 IonicContact NE-OD2 2.96Å; R289-D322 PolarHBondContact NE-OD2 3.35Å; R289-D322 VanDerWaalsContact NE-OD2 3.15Å; R289-D322 IonicContact NH2-OD1 3.78Å; R289-D322 PolarHBondContact NH2-OD1 3.17Å; R289-D322 IonicContact NH2-OD2 3.96Å; R289-D322 PolarHBondContact NH2-OD2 2.85Å
290	L	97.4	Very high	97.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143.3	177.6	-75.1	177.4	0	0	0	111.4	I215 M218 L219 L285 H288 F320	I215-L290 HydrophobicContact CD1-CD2 4.04Å; I215-L290 HydrophobicContact CG1-CD2 4.05Å; I215-L290 HydrophobicContact CG2-CD1 3.86Å; I215-L290 HydrophobicContact CG2-CD2 4.47Å; M218-L290 HydrophobicContact CE-CD1 3.29Å; M218-L290 HydrophobicContact CE-CG 4.15Å; L219-L290 HydrophobicContact CD2-CD1 4.02Å; L219-L290 HydrophobicContact CG-CD1 4.32Å; L285-L290 HydrophobicContact CB-CB 4.02Å; L285-L290 HydrophobicContact CD2-CB 4.23Å; L285-L290 HydrophobicContact CD2-CD1 4.06Å; L285-L290 PolarHBondContact O-N 2.91Å; H288-L290 HydrophobicContact CB-CD1 4.24Å; H288-L290 HydrophobicContact CB-CG 4.19Å; H288-L290 PolarHBondContact O-N 3.38Å; L290-F320 HydrophobicContact CD2-CD1 3.51Å; L290-F320 HydrophobicContact CD2-CD2 4.3Å; L290-F320 HydrophobicContact CD2-CE1 3.52Å; L290-F320 HydrophobicContact CD2-CE2 4.3Å; L290-F320 HydrophobicContact CD2-CG 3.93Å; L290-F320 HydrophobicContact CD2-CZ 3.93Å; L290-F320 HydrophobicContact CG-CD1 4.26Å; L290-F320 HydrophobicContact CG-CE1 4.17Å
291	I	97.9	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.5	171.7	-43.9	174.5	0	0	0	107.5	C293 S318 C319 V321 Y345 M347 I349 D350	I291-C293 WeakPolarHBondContact CG2-SG 3.36Å; I291-S318 WeakPolarHBondContact O-CA 3.32Å; I291-S318 VanDerWaalsContact O-CB 3.31Å; I291-S318 WeakPolarHBondContact O-CB 3.42Å; I291-C319 PolarHBondContact N-O 3.13Å; I291-C319 PolarHBondContact O-N 3.48Å; I291-C319 VanDerWaalsContact O-N 3.09Å; I291-V321 HydrophobicContact CD1-CB 4.44Å; I291-V321 HydrophobicContact CD1-CG2 3.93Å; I291-V321 HydrophobicContact CG1-CG2 3.7Å; I291-Y345 HydrophobicContact CD1-CD2 4.07Å; I291-Y345 HydrophobicContact CD1-CE2 3.98Å; I291-M347 HydrophobicContact CG1-CG 4.01Å; I291-I349 HydrophobicContact CG2-CD1 3.5Å; I291-I349 VanDerWaalsContact CG2-CD1 3.5Å; I291-I349 HydrophobicContact CG2-CG1 3.59Å; I291-D350 WeakPolarHBondContact CA-OD2 3.46Å; I291-D350 WeakPolarHBondContact CG2-OD2 3.34Å
292	H	97.9	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.102	C	C	.	.			trans	-65.8	-43	178.4	-173.2	-87.4	0	0	0	111.5	L285 D294 L295 I313 D314 F315 S318 D350	L285-H292 HydrophobicContact CD1-CB 3.9Å; H292-D294 PolarHBondContact CE1-O 2.85Å; H292-D294 VanDerWaalsContact ND1-C 3.25Å; H292-D294 PolarHBondContact ND1-N 2.89Å; H292-D294 PolarHBondContact O-N 2.9Å; H292-D294 VanDerWaalsContact O-N 3.14Å; H292-L295 PolarHBondContact ND1-N 3.39Å; H292-L295 VanDerWaalsContact ND1-N 3.18Å; H292-I313 PolarHBondContact NE2-O 3.42Å; H292-D314 PolarHBondContact CE1-O 3.1Å; H292-D314 PolarHBondContact NE2-O 3.21Å; H292-F315 AromaticContact CD2-CE1 3.73Å; H292-S318 WeakPolarHBondContact CA-OG 3.45Å; H292-S318 WeakPolarHBondContact O-CA 3.47Å; H292-S318 PolarHBondContact O-N 2.92Å; H292-S318 PolarHBondContact O-OG 3.01Å; H292-D350 PolarHBondContact N-OD2 3.05Å
293	C	97.5	Very high	97.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	69	-8.5	176.7	-59.5	0	0	0	0	117	I291 S317 I329 Q330 D350	I291-C293 WeakPolarHBondContact CG2-SG 3.36Å; C293-S317 WeakPolarHBondContact CB-O 3.45Å; C293-I329 HydrophobicContact CB-CD1 4.4Å; C293-Q330 WeakPolarHBondContact O-CA 3.46Å; C293-Q330 WeakPolarHBondContact O-CG 3.29Å; C293-Q330 PolarHBondContact O-N 3.35Å; C293-D350 PolarHBondContact N-OD1 2.87Å; C293-D350 VanDerWaalsContact N-OD1 3.09Å
294	D	97.2	Very high	97.1	Very high	15 Å²	15	29.7 Å²	29.7	8%	0.08	13%	0.125	C	C	.	.			trans	-144.1	47.1	172.2	-160.1	33.9	0	0	0	113.4	H292 K296 N299 S331	H292-D294 PolarHBondContact CE1-O 2.85Å; H292-D294 VanDerWaalsContact ND1-C 3.25Å; H292-D294 PolarHBondContact ND1-N 2.89Å; H292-D294 PolarHBondContact O-N 2.9Å; H292-D294 VanDerWaalsContact O-N 3.14Å; D294-K296 PolarHBondContact O-N 2.85Å; D294-K296 IonicContact OD1-NZ 3.15Å; D294-K296 WeakPolarHBondContact OD2-CE 3.38Å; D294-K296 IonicContact OD2-NZ 3.63Å; D294-K296 PolarHBondContact OD2-NZ 2.97Å; D294-N299 PolarHBondContact O-ND2 3.09Å; D294-N299 PolarHBondContact OD2-ND2 3.17Å; D294-S331 VanDerWaalsContact OD1-CB 3.32Å; D294-S331 WeakPolarHBondContact OD1-CB 3.45Å; D294-S331 PolarHBondContact OD1-N 3.24Å; D294-S331 PolarHBondContact OD1-OG 3.44Å
295	L	98.5	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	14%	0.138	C	C	.	.			trans	-73.6	124.8	176.9	-164.9	74.9	0	0	0	110.2	I278 L282 H292 I300 V312 S353 F354 I357	I278-L295 HydrophobicContact CG2-CD2 4.12Å; L282-L295 HydrophobicContact CD1-CD2 4.37Å; L282-L295 HydrophobicContact CD2-CD2 4.28Å; H292-L295 PolarHBondContact ND1-N 3.39Å; H292-L295 VanDerWaalsContact ND1-N 3.18Å; L295-I300 HydrophobicContact CD1-CD1 4.35Å; L295-I300 HydrophobicContact CD1-CG1 4.32Å; L295-V312 HydrophobicContact CD1-CG1 3.84Å; L295-V312 HydrophobicContact CD1-CG2 4.41Å; L295-S353 WeakPolarHBondContact O-CB 3.48Å; L295-F354 HydrophobicContact CD2-CB 4.12Å; L295-I357 HydrophobicContact CB-CD1 4.42Å; L295-I357 HydrophobicContact CD2-CD1 3.93Å; L295-I357 HydrophobicContact CG-CD1 3.7Å
296	K	98.3	Very high	96.4	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.022	15%	0.148	C	C	.	.	S	Bend	trans	-161.7	164.6	-178.5	59.3	-175.6	166.2	-168.1	0	110.5	S24 D294 E298 N299 S331 Y334	S24-K296 PolarHBondContact OG-NZ 3.21Å; D294-K296 PolarHBondContact O-N 2.85Å; D294-K296 IonicContact OD1-NZ 3.15Å; D294-K296 WeakPolarHBondContact OD2-CE 3.38Å; D294-K296 IonicContact OD2-NZ 3.63Å; D294-K296 PolarHBondContact OD2-NZ 2.97Å; K296-E298 HydrophobicContact CD-CB 4.4Å; K296-E298 WeakPolarHBondContact CD-OE2 3.18Å; K296-E298 HydrophobicContact CG-CB 4.31Å; K296-E298 WeakPolarHBondContact CG-OE2 3.39Å; K296-E298 PolarHBondContact O-N 3.2Å; K296-N299 VanDerWaalsContact CE-ND2 3.3Å; K296-N299 WeakPolarHBondContact CE-ND2 3.41Å; K296-N299 HydrophobicContact CG-CB 4.02Å; K296-N299 PolarHBondContact O-N 3.31Å; K296-S331 WeakPolarHBondContact CD-OG 3.4Å; K296-S331 PolarHBondContact NZ-OG 2.99Å; K296-Y334 HydrophobicContact CB-CD2 3.5Å; K296-Y334 HydrophobicContact CB-CE2 3.45Å; K296-Y334 VanDerWaalsContact CB-CE2 3.45Å; K296-Y334 HydrophobicContact CB-CG 4.16Å
297	P	98.3	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.5	-178.9	-25.1	36.3	0	0	0	113.8	L254 N299 I300 Y334 I357	L254-P297 HydrophobicContact CB-CB 4.12Å; L254-P297 PolarHBondContact N-O 3.35Å; P297-N299 VanDerWaalsContact C-N 3.26Å; P297-N299 PolarHBondContact O-N 2.85Å; P297-I300 PolarHBondContact O-N 3.35Å; P297-Y334 WeakPolarHBondContact CD-OH 3.32Å; P297-Y334 HydrophobicContact CG-CE1 4.18Å; P297-I357 HydrophobicContact CG-CG1 4.27Å; P297-I357 HydrophobicContact CG-CG2 4.47Å
298	E	96.3	Very high	96	Very high	21 Å²	21	27.5 Å²	27.5	10%	0.098	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-67.4	-24.7	176.6	-57.9	96.6	128.1	0	0	113.4	S24 N253 Y255 K296 L301	S24-E298 WeakPolarHBondContact CB-OE1 3.41Å; S24-E298 PolarHBondContact OG-OE1 2.93Å; N253-E298 WeakPolarHBondContact CB-O 3.22Å; Y255-E298 HydrophobicContact CG-CG 4.4Å; K296-E298 HydrophobicContact CD-CB 4.4Å; K296-E298 WeakPolarHBondContact CD-OE2 3.18Å; K296-E298 HydrophobicContact CG-CB 4.31Å; K296-E298 WeakPolarHBondContact CG-OE2 3.39Å; K296-E298 PolarHBondContact O-N 3.2Å; E298-L301 WeakPolarHBondContact O-CD1 3.26Å
299	N	97.9	Very high	96	Very high	5 Å²	5	26 Å²	26	3%	0.027	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-98.9	15.9	-179	-73.8	-4.1	0	0	0	112.9	D294 K296 P297 I313	D294-N299 PolarHBondContact O-ND2 3.09Å; D294-N299 PolarHBondContact OD2-ND2 3.17Å; K296-N299 VanDerWaalsContact CE-ND2 3.3Å; K296-N299 WeakPolarHBondContact CE-ND2 3.41Å; K296-N299 HydrophobicContact CG-CB 4.02Å; K296-N299 PolarHBondContact O-N 3.31Å; P297-N299 VanDerWaalsContact C-N 3.26Å; P297-N299 PolarHBondContact O-N 2.85Å; N299-I313 HydrophobicContact CB-CG1 4.13Å; N299-I313 WeakPolarHBondContact O-CG1 3.47Å; N299-I313 PolarHBondContact O-N 3.19Å
300	I	98.5	Very high	96	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	111.8	173.9	-57.3	160.2	0	0	0	107.6	N253 L254 I278 L295 P297 I310 V312 I357	N253-I300 CarbonylContact C-O 3.59Å; N253-I300 VanDerWaalsContact CA-O 3.22Å; N253-I300 WeakPolarHBondContact CA-O 3.38Å; L254-I300 HydrophobicContact CD1-CB 3.86Å; L254-I300 HydrophobicContact CD1-CD1 4.23Å; L254-I300 HydrophobicContact CD1-CG2 3.51Å; L254-I300 HydrophobicContact CG-CB 3.98Å; L254-I300 HydrophobicContact CG-CG2 3.82Å; L254-I300 PolarHBondContact N-O 3.44Å; I278-I300 HydrophobicContact CD1-CD1 3.68Å; I278-I300 HydrophobicContact CG1-CD1 3.94Å; I278-I300 HydrophobicContact CG1-CG2 4.34Å; L295-I300 HydrophobicContact CD1-CD1 4.35Å; L295-I300 HydrophobicContact CD1-CG1 4.32Å; P297-I300 PolarHBondContact O-N 3.35Å; I300-I310 HydrophobicContact CG2-CB 3.9Å; I300-I310 HydrophobicContact CG2-CD1 4.1Å; I300-I310 HydrophobicContact CG2-CG1 4.11Å; I300-I310 HydrophobicContact CG2-CG2 4.18Å; I300-V312 HydrophobicContact CG1-CG2 4.48Å; I300-I357 HydrophobicContact CD1-CD1 3.98Å; I300-I357 HydrophobicContact CD1-CG2 4.25Å
301	L	98	Very high	96.1	Very high	24 Å²	24	20.1 Å²	20.1	13%	0.126	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.5	-175	-83.5	64.6	0	0	0	111.5	L250 S251 N253 E298 I310 K311 I313	L250-L301 HydrophobicContact CB-CB 3.9Å; L250-L301 HydrophobicContact CB-CD2 3.78Å; L250-L301 HydrophobicContact CB-CG 4.47Å; L250-L301 HydrophobicContact CD1-CB 3.85Å; L250-L301 HydrophobicContact CD1-CD2 4.28Å; S251-L301 WeakPolarHBondContact O-CD2 3.31Å; N253-L301 HydrophobicContact CB-CD1 3.69Å; N253-L301 HydrophobicContact CB-CG 4.07Å; E298-L301 WeakPolarHBondContact O-CD1 3.26Å; L301-I310 CarbonylContact O-C 3.59Å; L301-I310 WeakPolarHBondContact O-CA 3.37Å; L301-I310 WeakPolarHBondContact O-CB 3.37Å; L301-K311 PolarHBondContact N-O 2.86Å; L301-K311 PolarHBondContact O-N 3.23Å; L301-I313 HydrophobicContact CB-CG2 4.45Å; L301-I313 HydrophobicContact CD1-CD1 3.39Å; L301-I313 HydrophobicContact CD1-CG1 3.72Å; L301-I313 HydrophobicContact CD1-CG2 4.03Å; L301-I313 HydrophobicContact CD2-CD1 4.28Å; L301-I313 HydrophobicContact CD2-CG2 4.37Å; L301-I313 HydrophobicContact CG-CD1 4.48Å
302	L	97.2	Very high	96.1	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.2	167.4	-62.4	179.7	0	0	0	109.8	L44 S251 F252 L254 V257 F274 H304 G309 I310	L44-L302 HydrophobicContact CD2-CD1 4.46Å; S251-L302 WeakPolarHBondContact CB-O 3.45Å; S251-L302 PolarHBondContact N-O 2.81Å; F252-L302 PolarHBondContact O-N 3.28Å; L254-L302 HydrophobicContact CD2-CD2 4.09Å; V257-L302 HydrophobicContact CG2-CD1 3.8Å; V257-L302 HydrophobicContact CG2-CG 4.26Å; F274-L302 HydrophobicContact CE1-CD2 3.68Å; F274-L302 HydrophobicContact CZ-CD2 3.98Å; L302-H304 VanDerWaalsContact C-N 3.31Å; L302-G309 WeakPolarHBondContact CA-O 3.43Å; L302-I310 HydrophobicContact CD2-CG2 3.96Å
303	R	95.1	Very high	96.1	Very high	82 Å²	82	21.6 Å²	21.6	31%	0.309	11%	0.109	S	C	.	.	S	Bend	trans	-65.1	-37.9	170.8	-67.8	179.6	-180	-128.4	11.7	111.4	N226 N229 L250 G309 I310 K311	N226-R303 PolarHBondContact ND2-NH1 2.96Å; N226-R303 PolarHBondContact O-NH2 2.89Å; N229-R303 PolarHBondContact OD1-NH2 3.07Å; L250-R303 HydrophobicContact CD2-CG 4.5Å; R303-G309 PolarHBondContact N-O 3.1Å; R303-I310 PolarHBondContact NE-O 3.25Å; R303-I310 VanDerWaalsContact NE-O 3.17Å; R303-K311 HydrophobicContact CG-CD 4.42Å; R303-K311 HydrophobicContact CG-CG 4.01Å
304	H	93.1	Very high	95.9	Very high	95 Å²	95	22.8 Å²	22.8	44%	0.44	12%	0.115	S	C	.	.	S	Bend	trans	-141.4	142.1	-179.5	-171.3	-89.2	0	0	0	110.1	L302 S306 R307	L302-H304 VanDerWaalsContact C-N 3.31Å; H304-S306 PolarHBondContact CE1-OG 3.01Å; H304-S306 PolarHBondContact ND1-N 2.91Å; H304-S306 PolarHBondContact ND1-OG 2.96Å; H304-S306 PolarHBondContact O-N 3.48Å; H304-S306 VanDerWaalsContact O-N 3.09Å; H304-R307 HydrophobicContact CB-CB 4.08Å; H304-R307 HydrophobicContact CB-CG 4.03Å; H304-R307 PolarHBondContact O-N 3.15Å; H304-R307 VanDerWaalsContact O-N 3.12Å; H304-R307 VanDerWaalsContact O-O 3.05Å
305	P	90	Very high	95.9	Very high	43 Å²	43	22.1 Å²	22.1	28%	0.279	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.7	-176.1	22.9	-35.8	0	0	0	115.1	I39 S251 F252	I39-P305 HydrophobicContact CD1-CB 3.89Å; I39-P305 HydrophobicContact CD1-CG 4.47Å; S251-P305 WeakPolarHBondContact OG-CA 3.49Å; S251-P305 WeakPolarHBondContact OG-CB 3.44Å; F252-P305 HydrophobicContact CD2-CB 4.32Å; F252-P305 HydrophobicContact CE2-CB 3.93Å
306	S	89.2	Confident	95.6	Very high	32 Å²	32	22.4 Å²	22.4	22%	0.224	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	6.6	178.6	68.1	0	0	0	0	114.6	H304	H304-S306 PolarHBondContact CE1-OG 3.01Å; H304-S306 PolarHBondContact ND1-N 2.91Å; H304-S306 PolarHBondContact ND1-OG 2.96Å; H304-S306 PolarHBondContact O-N 3.48Å; H304-S306 VanDerWaalsContact O-N 3.09Å
307	R	91.9	Very high	95.3	Very high	72 Å²	72	24.5 Å²	24.5	27%	0.272	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-122.5	154.5	177.6	-55.1	-66.4	-80	-160.5	-7	109.9	L44 D49 H304	L44-R307 WeakPolarHBondContact CD2-O 3.31Å; D49-R307 IonicContact OD1-CZ 3.67Å; D49-R307 VanDerWaalsContact OD1-CZ 3.28Å; D49-R307 IonicContact OD1-NE 3.13Å; D49-R307 PolarHBondContact OD1-NE 3.07Å; D49-R307 VanDerWaalsContact OD1-NE 3.16Å; D49-R307 IonicContact OD1-NH2 3.39Å; D49-R307 PolarHBondContact OD1-NH2 3.38Å; D49-R307 IonicContact OD2-CZ 3.03Å; D49-R307 IonicContact OD2-NE 3.36Å; D49-R307 PolarHBondContact OD2-NE 3.12Å; D49-R307 VanDerWaalsContact OD2-NE 3.14Å; D49-R307 IonicContact OD2-NH2 2.81Å; H304-R307 HydrophobicContact CB-CB 4.08Å; H304-R307 HydrophobicContact CB-CG 4.03Å; H304-R307 PolarHBondContact O-N 3.15Å; H304-R307 VanDerWaalsContact O-N 3.12Å; H304-R307 VanDerWaalsContact O-O 3.05Å
308	S	92.8	Very high	95.1	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	13%	0.132	C	C	.	.			trans	-94.7	5	-178.7	35.2	0	0	0	0	113.5	H45 K273 F274	H45-S308 PolarHBondContact O-OG 3.14Å; H45-S308 VanDerWaalsContact O-OG 3.05Å; K273-S308 WeakPolarHBondContact CD-OG 3.45Å; K273-S308 WeakPolarHBondContact CE-OG 3.29Å; K273-S308 PolarHBondContact NZ-OG 3.01Å; F274-S308 WeakPolarHBondContact CE1-O 3.48Å
309	G	95.9	Very high	95	Very high	17 Å²	17	24.7 Å²	24.7	18%	0.175	13%	0.133	C	C	.	.			trans	-63.8	133.6	168.8	0	0	0	0	0	110.5	L302 R303	L302-G309 WeakPolarHBondContact CA-O 3.43Å; R303-G309 PolarHBondContact N-O 3.1Å
310	I	98.1	Very high	94.8	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	166.4	-177.2	62	77.8	0	0	0	112.2	N229 L254 F274 I278 I300 L301 L302 R303	N229-I310 HydrophobicContact CB-CD1 4.01Å; N229-I310 PolarHBondContact OD1-O 3.35Å; L254-I310 HydrophobicContact CD2-CG2 4.37Å; F274-I310 HydrophobicContact CD1-CG2 3.57Å; F274-I310 HydrophobicContact CE1-CG2 3.71Å; I278-I310 HydrophobicContact CG1-CD1 4.32Å; I300-I310 HydrophobicContact CG2-CB 3.9Å; I300-I310 HydrophobicContact CG2-CD1 4.1Å; I300-I310 HydrophobicContact CG2-CG1 4.11Å; I300-I310 HydrophobicContact CG2-CG2 4.18Å; L301-I310 CarbonylContact O-C 3.59Å; L301-I310 WeakPolarHBondContact O-CA 3.37Å; L301-I310 WeakPolarHBondContact O-CB 3.37Å; L302-I310 HydrophobicContact CD2-CG2 3.96Å; R303-I310 PolarHBondContact NE-O 3.25Å; R303-I310 VanDerWaalsContact NE-O 3.17Å
311	K	98.3	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.5	161.1	-71.4	-174.3	165.7	-129.2	0	110.7	N226 N229 T230 E248 L250 L301 R303	N226-K311 PolarHBondContact OD1-NZ 3.46Å; N229-K311 CarbonylContact O-C 3.57Å; N229-K311 WeakPolarHBondContact O-CA 3.36Å; T230-K311 WeakPolarHBondContact O-CD 3.44Å; T230-K311 PolarHBondContact O-NZ 2.83Å; E248-K311 VanDerWaalsContact OE1-CD 3.26Å; E248-K311 WeakPolarHBondContact OE1-CD 3.3Å; E248-K311 VanDerWaalsContact OE1-CE 3.29Å; E248-K311 WeakPolarHBondContact OE1-CE 3.2Å; E248-K311 IonicContact OE1-NZ 2.7Å; E248-K311 PolarHBondContact OE1-NZ 3.13Å; E248-K311 WeakPolarHBondContact OE2-CE 3.39Å; E248-K311 IonicContact OE2-NZ 3.47Å; E248-K311 PolarHBondContact OE2-NZ 3.39Å; L250-K311 HydrophobicContact CD1-CB 3.83Å; L250-K311 HydrophobicContact CD1-CD 4.28Å; L250-K311 HydrophobicContact CD2-CD 4.02Å; L301-K311 PolarHBondContact N-O 2.86Å; L301-K311 PolarHBondContact O-N 3.23Å; R303-K311 HydrophobicContact CG-CD 4.42Å; R303-K311 HydrophobicContact CG-CG 4.01Å
312	V	98.5	Very high	94.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.9	170.3	-177.6	0	0	0	0	108.6	N229 V231 C281 L295 I300 F315	N229-V312 PolarHBondContact O-N 3.16Å; V231-V312 PolarHBondContact N-O 3.39Å; C281-V312 HydrophobicContact CB-CB 4.34Å; C281-V312 HydrophobicContact CB-CG2 3.7Å; L295-V312 HydrophobicContact CD1-CG1 3.84Å; L295-V312 HydrophobicContact CD1-CG2 4.41Å; I300-V312 HydrophobicContact CG1-CG2 4.48Å; V312-F315 HydrophobicContact CG1-CZ 4.41Å
313	I	97.5	Very high	93.7	Very high	32 Å²	32	38.9 Å²	38.9	16%	0.164	20%	0.202	C	C	.	.			trans	-119.8	175.3	-178.5	70.5	157.5	0	0	0	110.8	V231 L250 H292 N299 L301	V231-I313 HydrophobicContact CB-CG2 4.03Å; V231-I313 HydrophobicContact CG1-CB 4.5Å; V231-I313 HydrophobicContact CG2-CG2 4.18Å; L250-I313 HydrophobicContact CD1-CG2 3.91Å; H292-I313 PolarHBondContact NE2-O 3.42Å; N299-I313 HydrophobicContact CB-CG1 4.13Å; N299-I313 WeakPolarHBondContact O-CG1 3.47Å; N299-I313 PolarHBondContact O-N 3.19Å; L301-I313 HydrophobicContact CB-CG2 4.45Å; L301-I313 HydrophobicContact CD1-CD1 3.39Å; L301-I313 HydrophobicContact CD1-CG1 3.72Å; L301-I313 HydrophobicContact CD1-CG2 4.03Å; L301-I313 HydrophobicContact CD2-CD1 4.28Å; L301-I313 HydrophobicContact CD2-CG2 4.37Å; L301-I313 HydrophobicContact CG-CD1 4.48Å
314	D	94.3	Very high	93.1	Very high	25 Å²	25	37 Å²	37	13%	0.134	20%	0.202	C	C	.	.			trans	63.4	69	170.4	-165	15.9	0	0	0	114.7	K197 H292 G316	K197-D314 IonicContact NZ-OD1 3.06Å; H292-D314 PolarHBondContact CE1-O 3.1Å; H292-D314 PolarHBondContact NE2-O 3.21Å; D314-G316 PolarHBondContact O-N 3.12Å; D314-G316 PolarHBondContact OD1-N 3.22Å
315	F	95.4	Very high	92.5	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-82	11.6	172.4	-70.8	-92.7	0	0	0	112.7	E212 I215 L216 L219 T230 V231 L285 H292 V312 S317 S318	E212-F315 HydrophobicContact CG-CB 4.15Å; I215-F315 HydrophobicContact CG2-CB 4.39Å; I215-F315 HydrophobicContact CG2-CD1 3.99Å; I215-F315 HydrophobicContact CG2-CG 4.43Å; L216-F315 HydrophobicContact CD2-CB 4.38Å; L216-F315 HydrophobicContact CD2-CD2 3.73Å; L216-F315 HydrophobicContact CD2-CE2 4.38Å; L216-F315 HydrophobicContact CD2-CG 4.2Å; L216-F315 HydrophobicContact CG-CB 4.5Å; L219-F315 HydrophobicContact CD1-CD1 4.07Å; L219-F315 HydrophobicContact CD1-CE1 3.7Å; L219-F315 HydrophobicContact CD1-CE2 4.49Å; L219-F315 HydrophobicContact CD1-CZ 3.93Å; T230-F315 HydrophobicContact CG2-CZ 4.06Å; V231-F315 HydrophobicContact CG1-CD2 4.35Å; V231-F315 HydrophobicContact CG1-CE2 4.34Å; L285-F315 HydrophobicContact CD1-CE1 4.14Å; L285-F315 HydrophobicContact CD2-CE1 3.72Å; L285-F315 HydrophobicContact CD2-CZ 4.36Å; H292-F315 AromaticContact CD2-CE1 3.73Å; V312-F315 HydrophobicContact CG1-CZ 4.41Å; F315-S317 PolarHBondContact O-N 3.41Å; F315-S318 WeakPolarHBondContact CA-OG 3.34Å; F315-S318 WeakPolarHBondContact CD1-OG 3.35Å; F315-S318 VanDerWaalsContact O-CB 3.32Å; F315-S318 WeakPolarHBondContact O-CB 3.44Å; F315-S318 PolarHBondContact O-N 3.27Å; F315-S318 PolarHBondContact O-OG 2.91Å
316	G	92.4	Very high	92.3	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.8	-35.5	-179.3	0	0	0	0	0	112.1	Q208 E212 D314	Q208-G316 WeakPolarHBondContact CG-O 3.35Å; Q208-G316 PolarHBondContact NE2-O 3.47Å; E212-G316 PolarHBondContact OE1-N 2.94Å; E212-G316 WeakPolarHBondContact OE2-CA 3.43Å; D314-G316 PolarHBondContact O-N 3.12Å; D314-G316 PolarHBondContact OD1-N 3.22Å
317	S	92.2	Very high	92.3	Very high	48 Å²	48	44.9 Å²	44.9	34%	0.336	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-88.3	-3.8	178.2	-60.7	0	0	0	0	114.1	C293 F315	C293-S317 WeakPolarHBondContact CB-O 3.45Å; F315-S317 PolarHBondContact O-N 3.41Å
318	S	94.9	Very high	92.3	Very high	7 Å²	7	45 Å²	45	5%	0.049	24%	0.244	C	C	.	.			trans	-73.2	150.3	-170.7	-57.1	0	0	0	0	112.7	I291 H292 F315	I291-S318 WeakPolarHBondContact O-CA 3.32Å; I291-S318 VanDerWaalsContact O-CB 3.31Å; I291-S318 WeakPolarHBondContact O-CB 3.42Å; H292-S318 WeakPolarHBondContact CA-OG 3.45Å; H292-S318 WeakPolarHBondContact O-CA 3.47Å; H292-S318 PolarHBondContact O-N 2.92Å; H292-S318 PolarHBondContact O-OG 3.01Å; F315-S318 WeakPolarHBondContact CA-OG 3.34Å; F315-S318 WeakPolarHBondContact CD1-OG 3.35Å; F315-S318 VanDerWaalsContact O-CB 3.32Å; F315-S318 WeakPolarHBondContact O-CB 3.44Å; F315-S318 PolarHBondContact O-N 3.27Å; F315-S318 PolarHBondContact O-OG 2.91Å
319	C	94	Very high	92.4	Very high	19 Å²	19	45.6 Å²	45.6	13%	0.128	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157	176.5	65.1	0	0	0	0	111.4	I291	I291-C319 PolarHBondContact N-O 3.13Å; I291-C319 PolarHBondContact O-N 3.48Å; I291-C319 VanDerWaalsContact O-N 3.09Å
320	F	94.5	Very high	92.4	Very high	70 Å²	70	45.2 Å²	45.2	31%	0.307	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.8	163.4	-63.8	-82.6	0	0	0	109.4	I215 R289 L290 D322 H323	I215-F320 HydrophobicContact CG1-CE2 4.27Å; I215-F320 HydrophobicContact CG1-CZ 4.43Å; R289-F320 WeakPolarHBondContact O-CA 3.25Å; L290-F320 HydrophobicContact CD2-CD1 3.51Å; L290-F320 HydrophobicContact CD2-CD2 4.3Å; L290-F320 HydrophobicContact CD2-CE1 3.52Å; L290-F320 HydrophobicContact CD2-CE2 4.3Å; L290-F320 HydrophobicContact CD2-CG 3.93Å; L290-F320 HydrophobicContact CD2-CZ 3.93Å; L290-F320 HydrophobicContact CG-CD1 4.26Å; L290-F320 HydrophobicContact CG-CE1 4.17Å; F320-D322 PolarHBondContact O-N 3.02Å; F320-D322 VanDerWaalsContact O-N 3.14Å; F320-H323 HydrophobicContact CB-CB 4.38Å; F320-H323 CarbonylContact O-C 3.49Å; F320-H323 PolarHBondContact O-N 3.49Å
321	V	93	Very high	92.4	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.127	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-50.5	-42.2	-178.9	171	0	0	0	0	111.9	R289 I291 H323 S324 M347	R289-V321 HydrophobicContact CB-CB 4.49Å; R289-V321 HydrophobicContact CB-CG2 4.25Å; R289-V321 WeakPolarHBondContact O-CG2 3.25Å; R289-V321 PolarHBondContact O-N 3.47Å; I291-V321 HydrophobicContact CD1-CB 4.44Å; I291-V321 HydrophobicContact CD1-CG2 3.93Å; I291-V321 HydrophobicContact CG1-CG2 3.7Å; V321-H323 PolarHBondContact O-N 3.19Å; V321-S324 PolarHBondContact O-OG 3.45Å; V321-M347 HydrophobicContact CG2-CG 3.45Å; V321-M347 VanDerWaalsContact CG2-CG 3.45Å; V321-M347 HydrophobicContact CG2-SD 4.01Å
322	D	89.1	Confident	92.3	Very high	105 Å²	105	48.6 Å²	48.6	56%	0.561	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-78.8	-5.1	-176.3	-53.7	-52.2	0	0	0	113.4	R289 F320	R289-D322 IonicContact CZ-OD2 2.78Å; R289-D322 IonicContact NE-OD2 2.96Å; R289-D322 PolarHBondContact NE-OD2 3.35Å; R289-D322 VanDerWaalsContact NE-OD2 3.15Å; R289-D322 IonicContact NH2-OD1 3.78Å; R289-D322 PolarHBondContact NH2-OD1 3.17Å; R289-D322 IonicContact NH2-OD2 3.96Å; R289-D322 PolarHBondContact NH2-OD2 2.85Å; F320-D322 PolarHBondContact O-N 3.02Å; F320-D322 VanDerWaalsContact O-N 3.14Å
323	H	88	Confident	92.3	Very high	133 Å²	133	51.9 Å²	51.9	62%	0.616	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-119.9	30.7	179.4	-61.2	87.7	0	0	0	112	F320 V321 V325	F320-H323 HydrophobicContact CB-CB 4.38Å; F320-H323 CarbonylContact O-C 3.49Å; F320-H323 PolarHBondContact O-N 3.49Å; V321-H323 PolarHBondContact O-N 3.19Å; H323-V325 PolarHBondContact O-N 2.69Å
324	S	81.3	Confident	92.4	Very high	43 Å²	43	50.8 Å²	50.8	30%	0.301	26%	0.263	S	S	.	.			trans	-74.3	100.6	178.1	39.8	0	0	0	0	111.4	V321 Y345	V321-S324 PolarHBondContact O-OG 3.45Å; S324-Y345 WeakPolarHBondContact CB-OH 3.43Å
325	V	81.4	Confident	92.6	Very high	115 Å²	115	49.8 Å²	49.8	70%	0.697	26%	0.258	S	S	*	.			trans	-99.4	-37.1	-176.3	179.5	0	0	0	0	113.1	H323	H323-V325 PolarHBondContact O-N 2.69Å
326	Y	85.9	Confident	92.8	Very high	109 Å²	109	49.8 Å²	49.8	43%	0.427	26%	0.257	S	S	.	.			trans	-89.7	129.2	-169	-61.1	-68	0	0	0	112	I329 Y345	Y326-I329 WeakPolarHBondContact O-CG2 3.36Å; Y326-Y345 VanDerWaalsContact O-CE1 3.27Å; Y326-Y345 WeakPolarHBondContact O-CE1 3.42Å; Y326-Y345 PolarHBondContact O-OH 3.12Å
327	T	89.5	Confident	93.1	Very high	112 Å²	112	49.4 Å²	49.4	69%	0.687	25%	0.253	S	S	*	.	S	Bend	trans	-88.6	-20.7	178.6	58.1	0	0	0	0	113.7
328	Y	92.1	Very high	93.3	Very high	73 Å²	73	47.1 Å²	47.1	29%	0.286	24%	0.238	S	C	.	.	S	Bend	trans	-110.5	90.9	177.9	-171.8	-97.6	0	0	0	109.2	Y19 R335 E373	Y19-Y328 PolarHBondContact O-OH 3.15Å; Y328-R335 VanDerWaalsContact CZ-NH2 3.25Å; Y328-R335 PolarHBondContact OH-NH2 3.3Å; Y328-E373 HydrophobicContact CE2-CG 4.35Å
329	I	93.7	Very high	93.5	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.087	24%	0.236	C	C	.	.			trans	-128.5	173.5	-175.8	58.9	167.5	0	0	0	110.6	C293 Y326 R335 V339 Y345 I349	C293-I329 HydrophobicContact CB-CD1 4.4Å; Y326-I329 WeakPolarHBondContact O-CG2 3.36Å; I329-R335 PolarHBondContact O-NE 3.17Å; I329-R335 PolarHBondContact O-NH2 3.37Å; I329-V339 HydrophobicContact CD1-CG2 4.15Å; I329-V339 HydrophobicContact CG1-CG1 3.68Å; I329-V339 HydrophobicContact CG1-CG2 4.07Å; I329-Y345 HydrophobicContact CD1-CD1 4.27Å; I329-Y345 HydrophobicContact CD1-CD2 3.76Å; I329-Y345 HydrophobicContact CD1-CE1 3.92Å; I329-Y345 HydrophobicContact CD1-CE2 3.37Å; I329-Y345 HydrophobicContact CD1-CG 4.2Å; I329-Y345 VanDerWaalsContact CD1-CZ 3.46Å; I329-I349 HydrophobicContact CD1-CD1 3.46Å; I329-I349 VanDerWaalsContact CD1-CD1 3.46Å
330	Q	97.3	Very high	93.7	Very high	9 Å²	9	46 Å²	46	4%	0.042	23%	0.23	C	C	.	.	S	Bend	trans	62.6	146.2	-174.4	-55.2	173.4	-71.6	0	0	114.2	C293 Y334 R335 I349 S353	C293-Q330 WeakPolarHBondContact O-CA 3.46Å; C293-Q330 WeakPolarHBondContact O-CG 3.29Å; C293-Q330 PolarHBondContact O-N 3.35Å; Q330-Y334 PolarHBondContact NE2-O 3.11Å; Q330-R335 HydrophobicContact CB-CB 4Å; Q330-R335 HydrophobicContact CB-CG 4.16Å; Q330-R335 PolarHBondContact O-NE 2.65Å; Q330-R335 PolarHBondContact O-NH2 3.29Å; Q330-I349 HydrophobicContact CG-CD1 4.13Å; Q330-I349 PolarHBondContact NE2-O 2.99Å; Q330-S353 PolarHBondContact NE2-OG 3.39Å
331	S	96.4	Very high	93.8	Very high	12 Å²	12	42.7 Å²	42.7	8%	0.084	22%	0.216	C	C	.	.			trans	-65.8	135.3	165.4	-66.2	0	0	0	0	110.3	D294 K296 F333 Y334 R335	D294-S331 VanDerWaalsContact OD1-CB 3.32Å; D294-S331 WeakPolarHBondContact OD1-CB 3.45Å; D294-S331 PolarHBondContact OD1-N 3.24Å; D294-S331 PolarHBondContact OD1-OG 3.44Å; K296-S331 WeakPolarHBondContact CD-OG 3.4Å; K296-S331 PolarHBondContact NZ-OG 2.99Å; S331-F333 PolarHBondContact O-N 2.53Å; S331-F333 VanDerWaalsContact O-N 3.15Å; S331-Y334 CarbonylContact O-C 3.44Å; S331-Y334 PolarHBondContact O-N 3.43Å; S331-R335 PolarHBondContact O-N 3.29Å
332	R	98	Very high	94	Very high	62 Å²	62	42.4 Å²	42.4	23%	0.234	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-51	-46	-162.6	-171.8	-171.3	-63.6	111.9	-0	114.6	Y334 R335 G370 E371 Q376	R332-Y334 PolarHBondContact O-N 3.04Å; R332-R335 WeakPolarHBondContact O-CB 3.43Å; R332-R335 PolarHBondContact O-N 2.9Å; R332-G370 WeakPolarHBondContact CD-O 3.2Å; R332-E371 VanDerWaalsContact CZ-O 3.26Å; R332-E371 PolarHBondContact NH1-O 2.8Å; R332-Q376 HydrophobicContact CG-CB 4.23Å; R332-Q376 HydrophobicContact CG-CG 4.21Å; R332-Q376 PolarHBondContact O-NE2 3.19Å; R332-Q376 PolarHBondContact O-OE1 2.84Å
333	F	98.5	Very high	94.3	Very high	69 Å²	69	38.1 Å²	38.1	30%	0.303	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22.3	-176.1	-58.7	-19	0	0	0	113.5	S331 P366 F368 P369 G370	S331-F333 PolarHBondContact O-N 2.53Å; S331-F333 VanDerWaalsContact O-N 3.15Å; F333-P366 HydrophobicContact CD2-CB 4Å; F333-P366 HydrophobicContact CD2-CG 3.98Å; F333-P366 HydrophobicContact CE2-CG 4.19Å; F333-P366 HydrophobicContact CG-CB 4.42Å; F333-F368 WeakPolarHBondContact CD1-O 3.41Å; F333-P369 HydrophobicContact CE1-CB 4.4Å; F333-P369 HydrophobicContact CZ-CB 4.45Å; F333-G370 VanDerWaalsContact CE1-O 3.3Å; F333-G370 WeakPolarHBondContact CE1-O 3.47Å
334	Y	98.8	Very high	94.6	Very high	9 Å²	9	40.4 Å²	40.4	4%	0.035	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-110.2	7.3	-177.2	-44.1	-76.7	0	0	0	111.8	K296 P297 Q330 S331 R332 S353 C356 I357 E360	K296-Y334 HydrophobicContact CB-CD2 3.5Å; K296-Y334 HydrophobicContact CB-CE2 3.45Å; K296-Y334 VanDerWaalsContact CB-CE2 3.45Å; K296-Y334 HydrophobicContact CB-CG 4.16Å; P297-Y334 WeakPolarHBondContact CD-OH 3.32Å; P297-Y334 HydrophobicContact CG-CE1 4.18Å; Q330-Y334 PolarHBondContact NE2-O 3.11Å; S331-Y334 CarbonylContact O-C 3.44Å; S331-Y334 PolarHBondContact O-N 3.43Å; R332-Y334 PolarHBondContact O-N 3.04Å; Y334-S353 PolarHBondContact O-OG 2.91Å; Y334-C356 HydrophobicContact CD1-CB 3.83Å; Y334-I357 HydrophobicContact CD1-CG1 3.87Å; Y334-I357 HydrophobicContact CE1-CG1 4Å; Y334-E360 WeakPolarHBondContact CE1-OE2 3.17Å; Y334-E360 VanDerWaalsContact CZ-OE2 3.29Å; Y334-E360 PolarHBondContact OH-OE2 3.39Å
335	R	98.7	Very high	95.3	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.015	19%	0.193	C	C	.	.			trans	-78.1	131.1	-175.4	-175.7	178.9	-65.4	154.6	1	110.9	Y328 I329 Q330 S331 R332 V339 I340 W352	Y328-R335 VanDerWaalsContact CZ-NH2 3.25Å; Y328-R335 PolarHBondContact OH-NH2 3.3Å; I329-R335 PolarHBondContact O-NE 3.17Å; I329-R335 PolarHBondContact O-NH2 3.37Å; Q330-R335 HydrophobicContact CB-CB 4Å; Q330-R335 HydrophobicContact CB-CG 4.16Å; Q330-R335 PolarHBondContact O-NE 2.65Å; Q330-R335 PolarHBondContact O-NH2 3.29Å; S331-R335 PolarHBondContact O-N 3.29Å; R332-R335 WeakPolarHBondContact O-CB 3.43Å; R332-R335 PolarHBondContact O-N 2.9Å; R335-V339 HydrophobicContact CG-CB 3.94Å; R335-V339 HydrophobicContact CG-CG1 3.91Å; R335-I340 HydrophobicContact CG-CD1 4.38Å; R335-I340 HydrophobicContact CG-CG1 3.92Å; R335-W352 PolarHBondContact O-NE1 3.28Å
336	A	98.7	Very high	96.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.			trans	-72.2	149.1	-179.3	0	0	0	0	0	112.2	E338 V339 I340 I349 W352	A336-E338 VanDerWaalsContact C-N 3.3Å; A336-E338 HydrophobicContact CB-CG 4.34Å; A336-E338 WeakPolarHBondContact CB-OE2 3.4Å; A336-E338 PolarHBondContact O-N 3.49Å; A336-V339 HydrophobicContact CB-CG2 4.39Å; A336-V339 WeakPolarHBondContact O-CB 3.47Å; A336-V339 PolarHBondContact O-N 3.03Å; A336-V339 VanDerWaalsContact O-N 3.13Å; A336-I340 PolarHBondContact O-N 3.35Å; A336-I349 HydrophobicContact CB-CB 3.84Å; A336-I349 HydrophobicContact CB-CG2 3.84Å; A336-W352 VanDerWaalsContact CA-CD1 3.48Å; A336-W352 HydrophobicContact CB-CB 3.85Å; A336-W352 HydrophobicContact CB-CD2 4.36Å; A336-W352 HydrophobicContact CB-CG 3.79Å
337	P	98.4	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-36.5	-176.6	23.7	-33.3	0	0	0	112.2	V339 I340 L341 W352 M377 W464	P337-V339 PolarHBondContact O-N 3.47Å; P337-I340 PolarHBondContact O-N 2.84Å; P337-I340 VanDerWaalsContact O-N 3.16Å; P337-L341 VanDerWaalsContact O-CB 3.25Å; P337-L341 WeakPolarHBondContact O-CB 3.24Å; P337-L341 VanDerWaalsContact O-CG 3.25Å; P337-L341 WeakPolarHBondContact O-CG 3.36Å; P337-L341 PolarHBondContact O-N 3.28Å; P337-W352 VanDerWaalsContact CD-CD2 3.48Å; P337-W352 VanDerWaalsContact CD-CE3 3.45Å; P337-W352 HydrophobicContact CG-CE3 4.05Å; P337-W352 HydrophobicContact CG-CH2 3.88Å; P337-W352 HydrophobicContact CG-CZ2 4.38Å; P337-W352 HydrophobicContact CG-CZ3 3.7Å; P337-M377 HydrophobicContact CB-CE 4.23Å; P337-W464 HydrophobicContact CB-CE3 3.7Å; P337-W464 HydrophobicContact CB-CZ3 3.46Å; P337-W464 VanDerWaalsContact CB-CZ3 3.46Å; P337-W464 HydrophobicContact CG-CE3 3.88Å; P337-W464 HydrophobicContact CG-CZ3 4.13Å
338	E	98	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-29.7	177.3	63.2	-91.4	-151.5	0	0	113	A336 G342 C343 I349 P466 R469	A336-E338 VanDerWaalsContact C-N 3.3Å; A336-E338 HydrophobicContact CB-CG 4.34Å; A336-E338 WeakPolarHBondContact CB-OE2 3.4Å; A336-E338 PolarHBondContact O-N 3.49Å; E338-G342 PolarHBondContact O-N 3.33Å; E338-G342 VanDerWaalsContact O-N 3.08Å; E338-C343 HydrophobicContact CB-CB 3.94Å; E338-C343 PolarHBondContact O-N 3.21Å; E338-I349 HydrophobicContact CG-CG2 4.08Å; E338-I349 WeakPolarHBondContact OE1-CG2 3.5Å; E338-P466 HydrophobicContact CG-CG 4.48Å; E338-R469 IonicContact OE1-CZ 3.14Å; E338-R469 IonicContact OE1-NH1 2.63Å; E338-R469 PolarHBondContact OE1-NH1 2.8Å; E338-R469 IonicContact OE1-NH2 3.28Å; E338-R469 PolarHBondContact OE1-NH2 2.99Å; E338-R469 IonicContact OE2-CZ 3.09Å; E338-R469 IonicContact OE2-NH1 3.66Å; E338-R469 PolarHBondContact OE2-NH1 2.78Å; E338-R469 IonicContact OE2-NH2 3.8Å; E338-R469 PolarHBondContact OE2-NH2 3.04Å
339	V	97.9	Very high	97.4	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-71.6	-46.3	174.5	177.4	0	0	0	0	110.1	I329 R335 A336 P337 L341 G342 Y345 I349	I329-V339 HydrophobicContact CD1-CG2 4.15Å; I329-V339 HydrophobicContact CG1-CG1 3.68Å; I329-V339 HydrophobicContact CG1-CG2 4.07Å; R335-V339 HydrophobicContact CG-CB 3.94Å; R335-V339 HydrophobicContact CG-CG1 3.91Å; A336-V339 HydrophobicContact CB-CG2 4.39Å; A336-V339 WeakPolarHBondContact O-CB 3.47Å; A336-V339 PolarHBondContact O-N 3.03Å; A336-V339 VanDerWaalsContact O-N 3.13Å; P337-V339 PolarHBondContact O-N 3.47Å; V339-L341 VanDerWaalsContact C-N 3.35Å; V339-L341 PolarHBondContact O-N 2.7Å; V339-G342 PolarHBondContact O-N 3.14Å; V339-G342 VanDerWaalsContact O-N 3.13Å; V339-Y345 HydrophobicContact CG2-CG 4.32Å; V339-I349 HydrophobicContact CG2-CG2 3.85Å
340	I	98.2	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-43.4	178.5	-60.6	171.2	0	0	0	110.7	R335 A336 P337 G342 E373 Q376 M377 R397 F401	R335-I340 HydrophobicContact CG-CD1 4.38Å; R335-I340 HydrophobicContact CG-CG1 3.92Å; A336-I340 PolarHBondContact O-N 3.35Å; P337-I340 PolarHBondContact O-N 2.84Å; P337-I340 VanDerWaalsContact O-N 3.16Å; I340-G342 PolarHBondContact O-N 2.81Å; I340-E373 HydrophobicContact CG2-CB 4.26Å; I340-Q376 HydrophobicContact CD1-CB 4.17Å; I340-Q376 HydrophobicContact CD1-CG 3.64Å; I340-M377 HydrophobicContact CB-CE 3.66Å; I340-M377 HydrophobicContact CD1-CE 4.17Å; I340-M377 HydrophobicContact CG2-CE 3.54Å; I340-R397 PolarHBondContact O-NH1 3.19Å; I340-F401 HydrophobicContact CG2-CE1 3.87Å; I340-F401 HydrophobicContact CG2-CE2 3.91Å; I340-F401 HydrophobicContact CG2-CZ 3.4Å; I340-F401 VanDerWaalsContact CG2-CZ 3.4Å
341	L	97.7	Very high	97.7	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.8	177.2	-69.3	174.3	0	0	0	112.9	P337 V339 C343 M377 L391 L392 S395 K396 R397 F401	P337-L341 VanDerWaalsContact O-CB 3.25Å; P337-L341 WeakPolarHBondContact O-CB 3.24Å; P337-L341 VanDerWaalsContact O-CG 3.25Å; P337-L341 WeakPolarHBondContact O-CG 3.36Å; P337-L341 PolarHBondContact O-N 3.28Å; V339-L341 VanDerWaalsContact C-N 3.35Å; V339-L341 PolarHBondContact O-N 2.7Å; L341-C343 VanDerWaalsContact C-N 3.26Å; L341-C343 PolarHBondContact O-N 3.06Å; L341-M377 HydrophobicContact CD1-CE 4.37Å; L341-M377 HydrophobicContact CD2-CE 4.01Å; L341-M377 HydrophobicContact CG-CE 3.77Å; L341-L391 HydrophobicContact CD1-CD2 3.97Å; L341-L391 HydrophobicContact CD1-CG 4.15Å; L341-L392 HydrophobicContact CD2-CD2 4.43Å; L341-S395 WeakPolarHBondContact CB-OG 3.28Å; L341-S395 PolarHBondContact O-OG 3.37Å; L341-K396 PolarHBondContact O-N 3.17Å; L341-R397 WeakPolarHBondContact O-CB 3.26Å; L341-R397 PolarHBondContact O-N 2.83Å; L341-F401 HydrophobicContact CD2-CD2 3.96Å
342	G	96.5	Very high	97.8	Very high	15 Å²	15	23 Å²	23	16%	0.155	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	33.6	-179.5	0	0	0	0	0	113.2	E338 V339 I340 K396	E338-G342 PolarHBondContact O-N 3.33Å; E338-G342 VanDerWaalsContact O-N 3.08Å; V339-G342 PolarHBondContact O-N 3.14Å; V339-G342 VanDerWaalsContact O-N 3.13Å; I340-G342 PolarHBondContact O-N 2.81Å; G342-K396 WeakPolarHBondContact O-CG 3.07Å
343	C	95.7	Very high	97.8	Very high	15 Å²	15	20.1 Å²	20.1	10%	0.101	10%	0.104	C	C	.	.			trans	-76.3	169	166.9	-59.7	0	0	0	0	109.8	E338 L341 Y345 S395	E338-C343 HydrophobicContact CB-CB 3.94Å; E338-C343 PolarHBondContact O-N 3.21Å; L341-C343 VanDerWaalsContact C-N 3.26Å; L341-C343 PolarHBondContact O-N 3.06Å; C343-Y345 PolarHBondContact O-N 3.26Å; C343-S395 VanDerWaalsContact SG-CA 3.52Å
344	K	94.4	Very high	97.9	Very high	180 Å²	180	16.8 Å²	16.8	78%	0.783	9%	0.09	S	C	*	.			trans	-64.5	127	164.5	-174.9	177.5	-178.9	-179.8	0	108.3
345	Y	95.9	Very high	97.9	Very high	23 Å²	23	16.4 Å²	16.4	9%	0.09	9%	0.088	C	C	.	.			trans	-106.9	163.5	178.3	69.3	-96.5	0	0	0	111.1	I291 S324 Y326 I329 V339 C343 I349	I291-Y345 HydrophobicContact CD1-CD2 4.07Å; I291-Y345 HydrophobicContact CD1-CE2 3.98Å; S324-Y345 WeakPolarHBondContact CB-OH 3.43Å; Y326-Y345 VanDerWaalsContact O-CE1 3.27Å; Y326-Y345 WeakPolarHBondContact O-CE1 3.42Å; Y326-Y345 PolarHBondContact O-OH 3.12Å; I329-Y345 HydrophobicContact CD1-CD1 4.27Å; I329-Y345 HydrophobicContact CD1-CD2 3.76Å; I329-Y345 HydrophobicContact CD1-CE1 3.92Å; I329-Y345 HydrophobicContact CD1-CE2 3.37Å; I329-Y345 HydrophobicContact CD1-CG 4.2Å; I329-Y345 VanDerWaalsContact CD1-CZ 3.46Å; V339-Y345 HydrophobicContact CG2-CG 4.32Å; C343-Y345 PolarHBondContact O-N 3.26Å; Y345-I349 HydrophobicContact CD2-CD1 3.96Å; Y345-I349 HydrophobicContact CD2-CG2 4.41Å; Y345-I349 HydrophobicContact CE2-CD1 4.37Å; Y345-I349 HydrophobicContact CG-CG2 4.47Å
346	G	97	Very high	97.9	Very high	17 Å²	17	16.3 Å²	16.3	18%	0.175	9%	0.088	C	C	.	.			trans	-152.2	-159.5	179.9	0	0	0	0	0	111.4	A348 I349	G346-A348 PolarHBondContact O-N 3.2Å; G346-A348 VanDerWaalsContact O-N 3.1Å; G346-I349 WeakPolarHBondContact O-CG1 3.02Å; G346-I349 WeakPolarHBondContact O-CG2 3.18Å; G346-I349 PolarHBondContact O-N 3.27Å
347	M	97.8	Very high	97.9	Very high	56 Å²	56	16.3 Å²	16.3	28%	0.276	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.8	-178.5	-57.4	179	-66.9	0	0	113.5	Q286 I291 V321 I349 D350	Q286-M347 HydrophobicContact CB-SD 4.35Å; Q286-M347 HydrophobicContact CG-CE 3.98Å; Q286-M347 HydrophobicContact CG-SD 4.17Å; I291-M347 HydrophobicContact CG1-CG 4.01Å; V321-M347 HydrophobicContact CG2-CG 3.45Å; V321-M347 VanDerWaalsContact CG2-CG 3.45Å; V321-M347 HydrophobicContact CG2-SD 4.01Å; M347-I349 PolarHBondContact O-N 2.86Å; M347-I349 VanDerWaalsContact O-N 3.11Å; M347-D350 PolarHBondContact O-N 3.43Å; M347-D350 VanDerWaalsContact O-N 3.12Å
348	A	98.4	Very high	97.9	Very high	23 Å²	23	16.3 Å²	16.3	19%	0.19	9%	0.088	C	C	.	.	H	α-helix	trans	-58.8	-22.8	178.2	0	0	0	0	0	113.4	G346 D350 M351 W352 P466 R469	G346-A348 PolarHBondContact O-N 3.2Å; G346-A348 VanDerWaalsContact O-N 3.1Å; A348-D350 PolarHBondContact O-N 2.96Å; A348-M351 PolarHBondContact O-N 3.07Å; A348-W352 PolarHBondContact O-N 2.77Å; A348-P466 HydrophobicContact CB-CB 3.7Å; A348-R469 VanDerWaalsContact C-NH1 3.31Å; A348-R469 WeakPolarHBondContact O-CD 3.46Å; A348-R469 PolarHBondContact O-NH1 3.03Å
349	I	98.7	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-31.7	177.9	73.8	177.5	0	0	0	112.1	I291 I329 Q330 A336 E338 V339 Y345 G346 M347 W352 S353	I291-I349 HydrophobicContact CG2-CD1 3.5Å; I291-I349 VanDerWaalsContact CG2-CD1 3.5Å; I291-I349 HydrophobicContact CG2-CG1 3.59Å; I329-I349 HydrophobicContact CD1-CD1 3.46Å; I329-I349 VanDerWaalsContact CD1-CD1 3.46Å; Q330-I349 HydrophobicContact CG-CD1 4.13Å; Q330-I349 PolarHBondContact NE2-O 2.99Å; A336-I349 HydrophobicContact CB-CB 3.84Å; A336-I349 HydrophobicContact CB-CG2 3.84Å; E338-I349 HydrophobicContact CG-CG2 4.08Å; E338-I349 WeakPolarHBondContact OE1-CG2 3.5Å; V339-I349 HydrophobicContact CG2-CG2 3.85Å; Y345-I349 HydrophobicContact CD2-CD1 3.96Å; Y345-I349 HydrophobicContact CD2-CG2 4.41Å; Y345-I349 HydrophobicContact CE2-CD1 4.37Å; Y345-I349 HydrophobicContact CG-CG2 4.47Å; G346-I349 WeakPolarHBondContact O-CG1 3.02Å; G346-I349 WeakPolarHBondContact O-CG2 3.18Å; G346-I349 PolarHBondContact O-N 3.27Å; M347-I349 PolarHBondContact O-N 2.86Å; M347-I349 VanDerWaalsContact O-N 3.11Å; I349-W352 WeakPolarHBondContact O-CB 3.26Å; I349-W352 PolarHBondContact O-N 3.38Å; I349-S353 PolarHBondContact O-N 3.21Å; I349-S353 PolarHBondContact O-OG 3.45Å
350	D	98.8	Very high	98	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-75	-31.2	-179.6	-64.4	-34.8	0	0	0	110.7	L282 I291 H292 C293 M347 A348 W352 S353 F354	L282-D350 HydrophobicContact CD2-CB 3.86Å; I291-D350 WeakPolarHBondContact CA-OD2 3.46Å; I291-D350 WeakPolarHBondContact CG2-OD2 3.34Å; H292-D350 PolarHBondContact N-OD2 3.05Å; C293-D350 PolarHBondContact N-OD1 2.87Å; C293-D350 VanDerWaalsContact N-OD1 3.09Å; M347-D350 PolarHBondContact O-N 3.43Å; M347-D350 VanDerWaalsContact O-N 3.12Å; A348-D350 PolarHBondContact O-N 2.96Å; D350-W352 VanDerWaalsContact C-N 3.33Å; D350-S353 PolarHBondContact O-N 3.34Å; D350-F354 VanDerWaalsContact O-CB 3.24Å; D350-F354 WeakPolarHBondContact O-CB 3.47Å; D350-F354 PolarHBondContact O-N 3.16Å
351	M	98.9	Very high	98	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.015	9%	0.088	C	C	.	.	H	α-helix	trans	-66.8	-34.3	171.3	-74.1	-59.7	-64.9	0	0	112.2	L279 L282 A348 F354 G355 R469 M470 P472 A475	L279-M351 HydrophobicContact CD2-CE 4.23Å; L279-M351 HydrophobicContact CD2-SD 4.22Å; L282-M351 HydrophobicContact CD1-SD 3.77Å; A348-M351 PolarHBondContact O-N 3.07Å; M351-F354 HydrophobicContact CE-CD1 3.83Å; M351-F354 HydrophobicContact CE-CE1 4.13Å; M351-F354 WeakPolarHBondContact O-CB 3.32Å; M351-F354 PolarHBondContact O-N 3.25Å; M351-F354 HydrophobicContact SD-CD1 4.11Å; M351-G355 PolarHBondContact O-N 3.47Å; M351-R469 HydrophobicContact CB-CG 4.47Å; M351-M470 HydrophobicContact CE-CE 4.42Å; M351-M470 HydrophobicContact CE-CG 4.48Å; M351-M470 WeakPolarHBondContact CE-O 3.33Å; M351-M470 VanDerWaalsContact CG-O 3.28Å; M351-M470 WeakPolarHBondContact CG-O 3.15Å; M351-P472 HydrophobicContact CG-CG 4.23Å; M351-P472 HydrophobicContact SD-CB 4.45Å; M351-P472 HydrophobicContact SD-CG 3.76Å; M351-A475 HydrophobicContact CE-CB 3.9Å
352	W	98.9	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-49.8	170.7	177	-80.9	0	0	0	111.7	R335 A336 P337 A348 I349 D350 F354 G355 C356 F368 V380 L384 L462	R335-W352 PolarHBondContact O-NE1 3.28Å; A336-W352 VanDerWaalsContact CA-CD1 3.48Å; A336-W352 HydrophobicContact CB-CB 3.85Å; A336-W352 HydrophobicContact CB-CD2 4.36Å; A336-W352 HydrophobicContact CB-CG 3.79Å; P337-W352 VanDerWaalsContact CD-CD2 3.48Å; P337-W352 VanDerWaalsContact CD-CE3 3.45Å; P337-W352 HydrophobicContact CG-CE3 4.05Å; P337-W352 HydrophobicContact CG-CH2 3.88Å; P337-W352 HydrophobicContact CG-CZ2 4.38Å; P337-W352 HydrophobicContact CG-CZ3 3.7Å; A348-W352 PolarHBondContact O-N 2.77Å; I349-W352 WeakPolarHBondContact O-CB 3.26Å; I349-W352 PolarHBondContact O-N 3.38Å; D350-W352 VanDerWaalsContact C-N 3.33Å; W352-F354 VanDerWaalsContact C-N 3.25Å; W352-F354 PolarHBondContact O-N 2.82Å; W352-G355 PolarHBondContact O-N 3.18Å; W352-C356 PolarHBondContact O-N 3.49Å; W352-C356 PolarHBondContact O-SG 3.39Å; W352-F368 HydrophobicContact CH2-CE2 4.41Å; W352-F368 HydrophobicContact CZ2-CD2 4.32Å; W352-F368 AromaticContact CZ2-CE2 3.77Å; W352-F368 HydrophobicContact CZ2-CE2 3.77Å; W352-V380 HydrophobicContact CH2-CG1 3.66Å; W352-V380 HydrophobicContact CH2-CG2 4.35Å; W352-V380 HydrophobicContact CZ2-CG1 4.06Å; W352-V380 HydrophobicContact CZ2-CG2 3.89Å; W352-L384 HydrophobicContact CH2-CD1 3.66Å; W352-L384 HydrophobicContact CZ3-CD1 4.04Å; W352-L462 HydrophobicContact CD2-CD2 3.76Å; W352-L462 HydrophobicContact CE3-CB 4.4Å; W352-L462 HydrophobicContact CE3-CD2 3.9Å; W352-L462 HydrophobicContact CG-CD2 4.21Å; W352-L462 HydrophobicContact CH2-CD2 4.44Å; W352-L462 HydrophobicContact CZ2-CD2 4.32Å; W352-L462 HydrophobicContact CZ3-CB 4.17Å; W352-L462 HydrophobicContact CZ3-CD2 4.24Å; W352-L462 WeakPolarHBondContact CZ3-O 3.32Å
353	S	98.9	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.5	-43.6	175.9	-61	0	0	0	0	111.3	L295 Q330 Y334 I349 D350 C356 I357	L295-S353 WeakPolarHBondContact O-CB 3.48Å; Q330-S353 PolarHBondContact NE2-OG 3.39Å; Y334-S353 PolarHBondContact O-OG 2.91Å; I349-S353 PolarHBondContact O-N 3.21Å; I349-S353 PolarHBondContact O-OG 3.45Å; D350-S353 PolarHBondContact O-N 3.34Å; S353-C356 WeakPolarHBondContact O-CB 3.43Å; S353-C356 PolarHBondContact O-N 3.32Å; S353-I357 WeakPolarHBondContact O-CD1 3.44Å; S353-I357 WeakPolarHBondContact O-CG1 3.4Å; S353-I357 PolarHBondContact O-N 2.82Å
354	F	98.9	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-48.4	175.9	169.6	-114.6	0	0	0	112.5	A275 I278 L279 L282 L295 D350 M351 W352 C356 I357 L358 F457	A275-F354 HydrophobicContact CB-CE2 4.15Å; A275-F354 HydrophobicContact CB-CZ 3.96Å; I278-F354 HydrophobicContact CB-CD2 4.09Å; I278-F354 HydrophobicContact CB-CE2 3.96Å; I278-F354 HydrophobicContact CD1-CD2 4.27Å; I278-F354 HydrophobicContact CD1-CE2 4.24Å; I278-F354 HydrophobicContact CG2-CD2 3.59Å; I278-F354 HydrophobicContact CG2-CE2 3.97Å; L279-F354 HydrophobicContact CD1-CE1 4.46Å; L279-F354 HydrophobicContact CD1-CZ 4.04Å; L279-F354 HydrophobicContact CD2-CD1 4.38Å; L279-F354 HydrophobicContact CD2-CE1 3.73Å; L279-F354 HydrophobicContact CD2-CZ 3.83Å; L279-F354 HydrophobicContact CG-CE1 4.07Å; L279-F354 HydrophobicContact CG-CE2 4.28Å; L279-F354 HydrophobicContact CG-CZ 3.64Å; L282-F354 HydrophobicContact CD1-CB 4.02Å; L282-F354 HydrophobicContact CD1-CG 4.19Å; L295-F354 HydrophobicContact CD2-CB 4.12Å; D350-F354 VanDerWaalsContact O-CB 3.24Å; D350-F354 WeakPolarHBondContact O-CB 3.47Å; D350-F354 PolarHBondContact O-N 3.16Å; M351-F354 HydrophobicContact CE-CD1 3.83Å; M351-F354 HydrophobicContact CE-CE1 4.13Å; M351-F354 WeakPolarHBondContact O-CB 3.32Å; M351-F354 PolarHBondContact O-N 3.25Å; M351-F354 HydrophobicContact SD-CD1 4.11Å; W352-F354 VanDerWaalsContact C-N 3.25Å; W352-F354 PolarHBondContact O-N 2.82Å; F354-C356 VanDerWaalsContact C-N 3.33Å; F354-C356 PolarHBondContact O-N 2.96Å; F354-I357 WeakPolarHBondContact O-CB 3.21Å; F354-I357 PolarHBondContact O-N 2.77Å; F354-I357 VanDerWaalsContact O-N 3.16Å; F354-L358 HydrophobicContact CD2-CD2 4.35Å; F354-L358 HydrophobicContact CD2-CG 4.24Å; F354-L358 HydrophobicContact CE1-CD1 3.93Å; F354-L358 HydrophobicContact CE2-CD1 3.95Å; F354-L358 HydrophobicContact CE2-CD2 3.78Å; F354-L358 HydrophobicContact CE2-CG 3.91Å; F354-L358 HydrophobicContact CZ-CD1 3.6Å; F354-L358 HydrophobicContact CZ-CD2 4.24Å; F354-L358 HydrophobicContact CZ-CG 4.09Å; F354-L358 WeakPolarHBondContact O-CG 3.27Å; F354-L358 PolarHBondContact O-N 3.17Å; F354-F457 AromaticContact CE1-CE1 3.46Å; F354-F457 HydrophobicContact CE1-CE1 3.46Å; F354-F457 VanDerWaalsContact CE1-CE1 3.46Å; F354-F457 AromaticContact CE1-CZ 3.63Å; F354-F457 HydrophobicContact CE1-CZ 3.63Å; F354-F457 AromaticContact CZ-CE1 3.87Å; F354-F457 HydrophobicContact CZ-CE1 3.87Å; F354-F457 AromaticContact CZ-CZ 3.98Å; F354-F457 HydrophobicContact CZ-CZ 3.98Å
355	G	98.9	Very high	98.4	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-56.1	-45.5	174.2	0	0	0	0	0	112.8	M351 W352 I357 L358 C359	M351-G355 PolarHBondContact O-N 3.47Å; W352-G355 PolarHBondContact O-N 3.18Å; G355-I357 PolarHBondContact O-N 2.98Å; G355-L358 PolarHBondContact O-N 2.86Å; G355-C359 PolarHBondContact O-N 2.85Å; G355-C359 PolarHBondContact O-SG 3.07Å; G355-C359 VanDerWaalsContact O-SG 3.33Å
356	C	98.9	Very high	98.5	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-43	175.8	-62.5	0	0	0	0	112.3	Y334 W352 S353 F354 C359 E360	Y334-C356 HydrophobicContact CD1-CB 3.83Å; W352-C356 PolarHBondContact O-N 3.49Å; W352-C356 PolarHBondContact O-SG 3.39Å; S353-C356 WeakPolarHBondContact O-CB 3.43Å; S353-C356 PolarHBondContact O-N 3.32Å; F354-C356 VanDerWaalsContact C-N 3.33Å; F354-C356 PolarHBondContact O-N 2.96Å; C356-C359 PolarHBondContact O-N 3.44Å; C356-E360 PolarHBondContact O-N 3.05Å
357	I	98.9	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-44.1	178.5	-70.3	161.4	0	0	0	110.7	I278 L295 P297 I300 Y334 S353 F354 G355 C359 E360 L361	I278-I357 HydrophobicContact CD1-CG2 4.43Å; L295-I357 HydrophobicContact CB-CD1 4.42Å; L295-I357 HydrophobicContact CD2-CD1 3.93Å; L295-I357 HydrophobicContact CG-CD1 3.7Å; P297-I357 HydrophobicContact CG-CG1 4.27Å; P297-I357 HydrophobicContact CG-CG2 4.47Å; I300-I357 HydrophobicContact CD1-CD1 3.98Å; I300-I357 HydrophobicContact CD1-CG2 4.25Å; Y334-I357 HydrophobicContact CD1-CG1 3.87Å; Y334-I357 HydrophobicContact CE1-CG1 4Å; S353-I357 WeakPolarHBondContact O-CD1 3.44Å; S353-I357 WeakPolarHBondContact O-CG1 3.4Å; S353-I357 PolarHBondContact O-N 2.82Å; F354-I357 WeakPolarHBondContact O-CB 3.21Å; F354-I357 PolarHBondContact O-N 2.77Å; F354-I357 VanDerWaalsContact O-N 3.16Å; G355-I357 PolarHBondContact O-N 2.98Å; I357-C359 VanDerWaalsContact C-N 3.34Å; I357-C359 PolarHBondContact O-N 3.44Å; I357-E360 PolarHBondContact O-N 3.12Å; I357-L361 HydrophobicContact CG2-CD1 3.82Å; I357-L361 HydrophobicContact CG2-CG 4.14Å; I357-L361 VanDerWaalsContact O-CG 3.28Å; I357-L361 WeakPolarHBondContact O-CG 3.49Å; I357-L361 PolarHBondContact O-N 3.27Å
358	L	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.4	-41.4	179.8	-65.6	-170.1	0	0	0	112.3	V271 A275 F354 G355 E360 L361 H362 F454 F457 W480	V271-L358 HydrophobicContact CG1-CB 4.41Å; V271-L358 HydrophobicContact CG1-CD2 4.07Å; A275-L358 HydrophobicContact CB-CD1 4.15Å; A275-L358 HydrophobicContact CB-CD2 3.73Å; F354-L358 HydrophobicContact CD2-CD2 4.35Å; F354-L358 HydrophobicContact CD2-CG 4.24Å; F354-L358 HydrophobicContact CE1-CD1 3.93Å; F354-L358 HydrophobicContact CE2-CD1 3.95Å; F354-L358 HydrophobicContact CE2-CD2 3.78Å; F354-L358 HydrophobicContact CE2-CG 3.91Å; F354-L358 HydrophobicContact CZ-CD1 3.6Å; F354-L358 HydrophobicContact CZ-CD2 4.24Å; F354-L358 HydrophobicContact CZ-CG 4.09Å; F354-L358 WeakPolarHBondContact O-CG 3.27Å; F354-L358 PolarHBondContact O-N 3.17Å; G355-L358 PolarHBondContact O-N 2.86Å; L358-E360 VanDerWaalsContact C-N 3.33Å; L358-L361 HydrophobicContact CD2-CD1 4.35Å; L358-L361 PolarHBondContact O-N 3.49Å; L358-H362 WeakPolarHBondContact O-CB 3.47Å; L358-H362 PolarHBondContact O-N 2.75Å; L358-F454 HydrophobicContact CB-CE2 4.19Å; L358-F454 HydrophobicContact CB-CZ 4.44Å; L358-F457 HydrophobicContact CD1-CD1 3.89Å; L358-F457 HydrophobicContact CD1-CE1 3.48Å; L358-F457 VanDerWaalsContact CD1-CE1 3.48Å; L358-W480 HydrophobicContact CD1-CH2 4.04Å; L358-W480 HydrophobicContact CD1-CZ3 3.84Å
359	C	98.8	Very high	98.6	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-42.1	174.2	-62.6	0	0	0	0	111.8	G355 C356 I357 H362 T363 L367 L446 V458	G355-C359 PolarHBondContact O-N 2.85Å; G355-C359 PolarHBondContact O-SG 3.07Å; G355-C359 VanDerWaalsContact O-SG 3.33Å; C356-C359 PolarHBondContact O-N 3.44Å; I357-C359 VanDerWaalsContact C-N 3.34Å; I357-C359 PolarHBondContact O-N 3.44Å; C359-H362 PolarHBondContact O-N 3.07Å; C359-T363 WeakPolarHBondContact O-CB 3.48Å; C359-T363 VanDerWaalsContact O-CG2 3.31Å; C359-T363 WeakPolarHBondContact O-CG2 3.38Å; C359-T363 PolarHBondContact O-N 3.08Å; C359-T363 PolarHBondContact O-OG1 3.14Å; C359-L367 HydrophobicContact CB-CB 3.98Å; C359-L367 HydrophobicContact CB-CD1 4.27Å; C359-L367 HydrophobicContact CB-CD2 4.14Å; C359-L367 HydrophobicContact CB-CG 4.36Å; C359-L446 HydrophobicContact CB-CD2 3.98Å; C359-V458 WeakPolarHBondContact SG-CG1 3.33Å
360	E	98.8	Very high	98.6	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.019	5%	0.053	C	C	.	.	H	α-helix	trans	-68.4	-40.9	178.9	-179.2	169.3	-172	0	0	112.3	I258 Y334 C356 I357 L358 H362 G364 V365	I258-E360 HydrophobicContact CD1-CG 3.88Å; Y334-E360 WeakPolarHBondContact CE1-OE2 3.17Å; Y334-E360 VanDerWaalsContact CZ-OE2 3.29Å; Y334-E360 PolarHBondContact OH-OE2 3.39Å; C356-E360 PolarHBondContact O-N 3.05Å; I357-E360 PolarHBondContact O-N 3.12Å; L358-E360 VanDerWaalsContact C-N 3.33Å; E360-H362 VanDerWaalsContact C-N 3.31Å; E360-H362 PolarHBondContact O-N 3.09Å; E360-G364 WeakPolarHBondContact O-CA 3.47Å; E360-G364 PolarHBondContact O-N 3.21Å; E360-V365 WeakPolarHBondContact CA-O 3.15Å
361	L	98.6	Very high	98.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.8	-44.6	173.2	-70.5	171.7	0	0	0	111	L254 I258 L266 V271 F274 I357 L358	L254-L361 HydrophobicContact CB-CD2 4.06Å; L254-L361 HydrophobicContact CD1-CD1 4.12Å; L254-L361 HydrophobicContact CD1-CD2 4.05Å; I258-L361 HydrophobicContact CD1-CD2 3.98Å; I258-L361 HydrophobicContact CG1-CD2 4.16Å; L266-L361 WeakPolarHBondContact CB-O 3.18Å; L266-L361 HydrophobicContact CD1-CB 4.34Å; L266-L361 HydrophobicContact CD1-CD2 3.99Å; L266-L361 WeakPolarHBondContact CG-O 3.21Å; L266-L361 PolarHBondContact N-O 3.05Å; V271-L361 HydrophobicContact CG1-CB 4.36Å; V271-L361 HydrophobicContact CG2-CB 4.18Å; F274-L361 HydrophobicContact CB-CD1 4.22Å; F274-L361 HydrophobicContact CD2-CD1 4.24Å; I357-L361 HydrophobicContact CG2-CD1 3.82Å; I357-L361 HydrophobicContact CG2-CG 4.14Å; I357-L361 VanDerWaalsContact O-CG 3.28Å; I357-L361 WeakPolarHBondContact O-CG 3.49Å; I357-L361 PolarHBondContact O-N 3.27Å; L358-L361 HydrophobicContact CD2-CD1 4.35Å; L358-L361 PolarHBondContact O-N 3.49Å
362	H	98.5	Very high	98.4	Very high	34 Å²	34	12 Å²	12	16%	0.157	7%	0.069	C	C	.	.	H	α-helix	trans	-69.4	-44.4	-178.8	178.9	46	0	0	0	112.9	G265 L266 V271 L358 C359 E360 C449 F454	G265-H362 CarbonylContact C-O 3.6Å; G265-H362 WeakPolarHBondContact CA-O 3.2Å; L266-H362 PolarHBondContact N-O 2.84Å; L266-H362 PolarHBondContact O-ND1 3.48Å; V271-H362 HydrophobicContact CG2-CB 4.2Å; L358-H362 WeakPolarHBondContact O-CB 3.47Å; L358-H362 PolarHBondContact O-N 2.75Å; C359-H362 PolarHBondContact O-N 3.07Å; E360-H362 VanDerWaalsContact C-N 3.31Å; E360-H362 PolarHBondContact O-N 3.09Å; H362-C449 WeakPolarHBondContact NE2-CB 3.28Å; H362-F454 HydrophobicContact CB-CE1 4.21Å; H362-F454 HydrophobicContact CB-CZ 4.05Å; H362-F454 AromaticContact CD2-CE1 3.78Å
363	T	98.3	Very high	98.3	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-92.5	-18.5	-173.3	64	0	0	0	0	113.5	C359 V365 L446 K447	C359-T363 WeakPolarHBondContact O-CB 3.48Å; C359-T363 VanDerWaalsContact O-CG2 3.31Å; C359-T363 WeakPolarHBondContact O-CG2 3.38Å; C359-T363 PolarHBondContact O-N 3.08Å; C359-T363 PolarHBondContact O-OG1 3.14Å; T363-V365 VanDerWaalsContact C-N 3.26Å; T363-V365 PolarHBondContact O-N 2.99Å; T363-V365 PolarHBondContact OG1-N 3.13Å; T363-V365 PolarHBondContact OG1-O 3.3Å; T363-L446 HydrophobicContact CG2-CD2 4.28Å; T363-K447 HydrophobicContact CG2-CG 4.23Å; T363-K447 VanDerWaalsContact O-CE 3.23Å; T363-K447 WeakPolarHBondContact O-CE 3.47Å; T363-K447 PolarHBondContact O-NZ 2.95Å
364	G	98.3	Very high	98.2	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	9%	0.091	C	C	.	.	S	Bend	trans	76.8	3.8	-171.6	0	0	0	0	0	114.5	F263 E360	F263-G364 WeakPolarHBondContact CD1-O 3.46Å; E360-G364 WeakPolarHBondContact O-CA 3.47Å; E360-G364 PolarHBondContact O-N 3.21Å
365	V	97.8	Very high	98.2	Very high	60 Å²	60	16.6 Å²	16.6	36%	0.364	9%	0.091	S	C	.	.	S	Bend	trans	-136.4	146.1	-179.8	-65.7	0	0	0	0	111.1	E360 T363 L367	E360-V365 WeakPolarHBondContact CA-O 3.15Å; T363-V365 VanDerWaalsContact C-N 3.26Å; T363-V365 PolarHBondContact O-N 2.99Å; T363-V365 PolarHBondContact OG1-N 3.13Å; T363-V365 PolarHBondContact OG1-O 3.3Å; V365-L367 PolarHBondContact O-N 3.24Å
366	P	98.5	Very high	98.1	Very high	33 Å²	33	16.6 Å²	16.6	21%	0.214	9%	0.091	C	C	.	.			trans	-58	137.4	178.5	-22.6	30.1	0	0	0	112.1	F333 F368 P369	F333-P366 HydrophobicContact CD2-CB 4Å; F333-P366 HydrophobicContact CD2-CG 3.98Å; F333-P366 HydrophobicContact CE2-CG 4.19Å; F333-P366 HydrophobicContact CG-CB 4.42Å; P366-F368 PolarHBondContact O-N 3.19Å; P366-P369 HydrophobicContact CB-CB 4.26Å
367	L	98.6	Very high	98.1	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	9%	0.091	C	C	.	.	S	Bend	trans	-63	-43	179	-177.7	63.5	0	0	0	112.1	C359 V365 P369 L383 R440 A445 L462	C359-L367 HydrophobicContact CB-CB 3.98Å; C359-L367 HydrophobicContact CB-CD1 4.27Å; C359-L367 HydrophobicContact CB-CD2 4.14Å; C359-L367 HydrophobicContact CB-CG 4.36Å; V365-L367 PolarHBondContact O-N 3.24Å; L367-P369 WeakPolarHBondContact O-CD 3.46Å; L367-L383 HydrophobicContact CD1-CD2 3.9Å; L367-L383 HydrophobicContact CD2-CD2 4.19Å; L367-L383 HydrophobicContact CG-CD2 4.24Å; L367-R440 PolarHBondContact O-NH1 3.05Å; L367-A445 HydrophobicContact CD1-CB 4.01Å; L367-L462 HydrophobicContact CD2-CD1 3.44Å; L367-L462 VanDerWaalsContact CD2-CD1 3.44Å
368	F	98.5	Very high	98.1	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.091	C	C	.	.			trans	-125.9	78.2	-177.1	-54.1	-55.8	0	0	0	111.3	F333 W352 P366 G370 Q376 L379 V380 L383 L462	F333-F368 WeakPolarHBondContact CD1-O 3.41Å; W352-F368 HydrophobicContact CH2-CE2 4.41Å; W352-F368 HydrophobicContact CZ2-CD2 4.32Å; W352-F368 AromaticContact CZ2-CE2 3.77Å; W352-F368 HydrophobicContact CZ2-CE2 3.77Å; P366-F368 PolarHBondContact O-N 3.19Å; F368-G370 VanDerWaalsContact C-N 3.28Å; F368-G370 PolarHBondContact O-N 3.39Å; F368-Q376 PolarHBondContact O-NE2 3.26Å; F368-Q376 PolarHBondContact O-OE1 3.26Å; F368-L379 HydrophobicContact CB-CB 4.33Å; F368-L379 HydrophobicContact CD1-CB 4.02Å; F368-V380 HydrophobicContact CD1-CG2 4.25Å; F368-V380 HydrophobicContact CD2-CG2 4.15Å; F368-V380 HydrophobicContact CE1-CG2 4.29Å; F368-V380 HydrophobicContact CE2-CG2 4.2Å; F368-V380 HydrophobicContact CG-CG2 4.17Å; F368-V380 HydrophobicContact CZ-CG2 4.26Å; F368-L383 HydrophobicContact CE1-CB 4.03Å; F368-L383 HydrophobicContact CE1-CD2 3.67Å; F368-L383 HydrophobicContact CE1-CG 4.48Å; F368-L383 HydrophobicContact CZ-CD2 3.82Å; F368-L462 HydrophobicContact CE2-CD1 4.35Å
369	P	98	Very high	98	Very high	35 Å²	35	16.7 Å²	16.7	23%	0.227	9%	0.091	C	C	.	.			trans	-82.7	63.6	-177.7	34.5	-36	0	0	0	112.4	F333 P366 L367 L379	F333-P369 HydrophobicContact CE1-CB 4.4Å; F333-P369 HydrophobicContact CZ-CB 4.45Å; P366-P369 HydrophobicContact CB-CB 4.26Å; L367-P369 WeakPolarHBondContact O-CD 3.46Å; P369-L379 HydrophobicContact CG-CD1 4.45Å
370	G	97.9	Very high	98	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	9%	0.091	C	C	.	.			trans	-74.7	141.3	-176.2	0	0	0	0	0	114.8	R332 F333 F368 D375	R332-G370 WeakPolarHBondContact CD-O 3.2Å; F333-G370 VanDerWaalsContact CE1-O 3.3Å; F333-G370 WeakPolarHBondContact CE1-O 3.47Å; F368-G370 VanDerWaalsContact C-N 3.28Å; F368-G370 PolarHBondContact O-N 3.39Å; G370-D375 WeakPolarHBondContact CA-OD2 3.47Å
371	E	97.2	Very high	98	Very high	29 Å²	29	16.5 Å²	16.5	14%	0.136	9%	0.09	C	C	.	.	S	Bend	trans	-78.2	-36.8	-179.8	-68.5	167.5	-160	0	0	113	R332 D375 S428 R429 R430	R332-E371 VanDerWaalsContact CZ-O 3.26Å; R332-E371 PolarHBondContact NH1-O 2.8Å; E371-D375 HydrophobicContact CB-CB 4.29Å; E371-D375 PolarHBondContact N-OD2 2.99Å; E371-S428 VanDerWaalsContact CD-OG 3.29Å; E371-S428 VanDerWaalsContact OE1-CB 3.31Å; E371-S428 WeakPolarHBondContact OE1-CB 3.45Å; E371-S428 PolarHBondContact OE1-OG 3.23Å; E371-S428 PolarHBondContact OE2-OG 3.14Å; E371-R429 VanDerWaalsContact OE2-CB 3.31Å; E371-R429 WeakPolarHBondContact OE2-CB 3.31Å; E371-R429 PolarHBondContact OE2-N 3.4Å; E371-R429 VanDerWaalsContact OE2-N 3.12Å; E371-R430 HydrophobicContact CG-CG 4.45Å; E371-R430 VanDerWaalsContact OE1-CB 3.27Å; E371-R430 WeakPolarHBondContact OE1-CB 3.38Å; E371-R430 WeakPolarHBondContact OE1-CG 3.1Å; E371-R430 PolarHBondContact OE2-N 3.2Å
372	D	96.7	Very high	98	Very high	44 Å²	44	17.7 Å²	17.7	24%	0.235	10%	0.096	C	C	.	.	S	Bend	trans	-145.4	-175.5	177.1	55.8	42.2	0	0	0	110.4	M374 D375 Q376 R429	D372-M374 VanDerWaalsContact C-N 3.31Å; D372-M374 PolarHBondContact O-N 2.9Å; D372-M374 PolarHBondContact OD1-N 3.11Å; D372-D375 PolarHBondContact O-N 3.24Å; D372-D375 PolarHBondContact OD1-N 2.97Å; D372-Q376 VanDerWaalsContact O-CB 3.26Å; D372-Q376 WeakPolarHBondContact O-CB 3.47Å; D372-Q376 PolarHBondContact O-N 3.39Å; D372-R429 IonicContact OD2-CZ 2.85Å; D372-R429 IonicContact OD2-NH2 3.49Å; D372-R429 PolarHBondContact OD2-NH2 3.17Å
373	E	96.7	Very high	98	Very high	39 Å²	39	16.5 Å²	16.5	18%	0.182	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-34.9	-177.2	-68.2	-177	130.6	0	0	113	Y328 I340 M377 R397 F401	Y328-E373 HydrophobicContact CE2-CG 4.35Å; I340-E373 HydrophobicContact CG2-CB 4.26Å; E373-M377 WeakPolarHBondContact O-CB 3.43Å; E373-M377 PolarHBondContact O-N 2.95Å; E373-M377 VanDerWaalsContact O-N 3.07Å; E373-R397 IonicContact OE1-CZ 3.76Å; E373-R397 IonicContact OE1-NH1 3.77Å; E373-R397 PolarHBondContact OE1-NH1 3.2Å; E373-R397 IonicContact OE1-NH2 3Å; E373-R397 IonicContact OE2-CZ 2.79Å; E373-R397 IonicContact OE2-NH1 3.62Å; E373-R397 PolarHBondContact OE2-NH1 3.47Å; E373-R397 IonicContact OE2-NH2 3.86Å; E373-R397 PolarHBondContact OE2-NH2 2.9Å; E373-F401 HydrophobicContact CB-CE1 4.38Å; E373-F401 HydrophobicContact CB-CZ 4.38Å
374	M	96.4	Very high	98	Very high	56 Å²	56	18.1 Å²	18.1	28%	0.276	10%	0.099	S	C	.	.	H	α-helix	trans	-69.6	-47.5	177.5	176.9	65.5	77.7	0	0	110.3	D372 Q376 M377 S378 Y400 F401 R409	D372-M374 VanDerWaalsContact C-N 3.31Å; D372-M374 PolarHBondContact O-N 2.9Å; D372-M374 PolarHBondContact OD1-N 3.11Å; M374-Q376 VanDerWaalsContact C-N 3.32Å; M374-Q376 PolarHBondContact O-N 3.13Å; M374-M377 PolarHBondContact O-N 2.78Å; M374-S378 PolarHBondContact O-N 3.03Å; M374-Y400 WeakPolarHBondContact CE-O 3.36Å; M374-F401 HydrophobicContact CE-CD1 4.11Å; M374-F401 HydrophobicContact SD-CD1 3.87Å; M374-R409 HydrophobicContact CE-CB 4.42Å
375	D	98.1	Very high	98	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-39.2	178.6	-170.1	45.6	0	0	0	111.8	G370 E371 D372 M377 S378 L379 Y426 R434	G370-D375 WeakPolarHBondContact CA-OD2 3.47Å; E371-D375 HydrophobicContact CB-CB 4.29Å; E371-D375 PolarHBondContact N-OD2 2.99Å; D372-D375 PolarHBondContact O-N 3.24Å; D372-D375 PolarHBondContact OD1-N 2.97Å; D375-M377 PolarHBondContact O-N 3.33Å; D375-S378 PolarHBondContact O-N 3.32Å; D375-S378 PolarHBondContact O-OG 2.89Å; D375-S378 PolarHBondContact OD1-OG 3.09Å; D375-L379 PolarHBondContact O-N 3.49Å; D375-L379 VanDerWaalsContact O-N 3.1Å; D375-Y426 WeakPolarHBondContact CA-OH 3.06Å; D375-Y426 WeakPolarHBondContact CB-OH 3.4Å; D375-Y426 PolarHBondContact OD1-OH 3.19Å; D375-R434 IonicContact OD1-CZ 3.74Å; D375-R434 IonicContact OD1-NE 3.73Å; D375-R434 PolarHBondContact OD1-NE 3.03Å; D375-R434 IonicContact OD1-NH2 3.14Å; D375-R434 PolarHBondContact OD1-NH2 2.95Å; D375-R434 IonicContact OD2-CZ 3.45Å; D375-R434 IonicContact OD2-NE 2.62Å; D375-R434 IonicContact OD2-NH2 2.69Å; D375-R434 PolarHBondContact OD2-NH2 2.83Å
376	Q	98.4	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.3	-49.8	172.9	-172.5	66.9	30.2	0	0	111.2	R332 I340 F368 D372 M374 S378 L379 V380	R332-Q376 HydrophobicContact CG-CB 4.23Å; R332-Q376 HydrophobicContact CG-CG 4.21Å; R332-Q376 PolarHBondContact O-NE2 3.19Å; R332-Q376 PolarHBondContact O-OE1 2.84Å; I340-Q376 HydrophobicContact CD1-CB 4.17Å; I340-Q376 HydrophobicContact CD1-CG 3.64Å; F368-Q376 PolarHBondContact O-NE2 3.26Å; F368-Q376 PolarHBondContact O-OE1 3.26Å; D372-Q376 VanDerWaalsContact O-CB 3.26Å; D372-Q376 WeakPolarHBondContact O-CB 3.47Å; D372-Q376 PolarHBondContact O-N 3.39Å; M374-Q376 VanDerWaalsContact C-N 3.32Å; M374-Q376 PolarHBondContact O-N 3.13Å; Q376-S378 VanDerWaalsContact C-N 3.31Å; Q376-S378 PolarHBondContact O-N 3.4Å; Q376-L379 PolarHBondContact O-N 3.01Å; Q376-V380 WeakPolarHBondContact O-CG2 3.29Å; Q376-V380 PolarHBondContact O-N 3.4Å
377	M	98.2	Very high	97.9	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.5	-35.8	178.5	-172	60.3	65.4	0	0	112.2	P337 I340 L341 E373 M374 D375 L379 V380 M381 F401 W464	P337-M377 HydrophobicContact CB-CE 4.23Å; I340-M377 HydrophobicContact CB-CE 3.66Å; I340-M377 HydrophobicContact CD1-CE 4.17Å; I340-M377 HydrophobicContact CG2-CE 3.54Å; L341-M377 HydrophobicContact CD1-CE 4.37Å; L341-M377 HydrophobicContact CD2-CE 4.01Å; L341-M377 HydrophobicContact CG-CE 3.77Å; E373-M377 WeakPolarHBondContact O-CB 3.43Å; E373-M377 PolarHBondContact O-N 2.95Å; E373-M377 VanDerWaalsContact O-N 3.07Å; M374-M377 PolarHBondContact O-N 2.78Å; D375-M377 PolarHBondContact O-N 3.33Å; M377-L379 VanDerWaalsContact C-N 3.35Å; M377-L379 PolarHBondContact O-N 2.96Å; M377-V380 PolarHBondContact O-N 3.09Å; M377-M381 HydrophobicContact CB-CE 4.47Å; M377-M381 HydrophobicContact CG-CE 3.62Å; M377-M381 WeakPolarHBondContact O-CG 3.48Å; M377-M381 PolarHBondContact O-N 2.97Å; M377-F401 HydrophobicContact CB-CD1 3.93Å; M377-F401 HydrophobicContact CB-CE1 4.26Å; M377-F401 HydrophobicContact CG-CB 4.35Å; M377-F401 HydrophobicContact CG-CD1 4.08Å; M377-F401 HydrophobicContact CG-CG 4.28Å; M377-W464 HydrophobicContact SD-CH2 3.76Å; M377-W464 HydrophobicContact SD-CZ3 3.91Å
378	S	98.1	Very high	97.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-41.2	176.8	77.6	0	0	0	0	112.6	M374 D375 Q376 V380 M381 E382 Y426	M374-S378 PolarHBondContact O-N 3.03Å; D375-S378 PolarHBondContact O-N 3.32Å; D375-S378 PolarHBondContact O-OG 2.89Å; D375-S378 PolarHBondContact OD1-OG 3.09Å; Q376-S378 VanDerWaalsContact C-N 3.31Å; Q376-S378 PolarHBondContact O-N 3.4Å; S378-V380 VanDerWaalsContact C-N 3.35Å; S378-M381 PolarHBondContact O-N 2.91Å; S378-E382 VanDerWaalsContact O-CB 3.26Å; S378-E382 WeakPolarHBondContact O-CB 3.49Å; S378-E382 PolarHBondContact O-N 3.33Å; S378-Y426 PolarHBondContact OG-OH 3.49Å
379	L	98.5	Very high	97.7	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-36.8	176.6	-77.7	163.4	0	0	0	112.6	F368 P369 D375 Q376 M377 L383	F368-L379 HydrophobicContact CB-CB 4.33Å; F368-L379 HydrophobicContact CD1-CB 4.02Å; P369-L379 HydrophobicContact CG-CD1 4.45Å; D375-L379 PolarHBondContact O-N 3.49Å; D375-L379 VanDerWaalsContact O-N 3.1Å; Q376-L379 PolarHBondContact O-N 3.01Å; M377-L379 VanDerWaalsContact C-N 3.35Å; M377-L379 PolarHBondContact O-N 2.96Å; L379-L383 PolarHBondContact O-N 2.99Å
380	V	98.6	Very high	97.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-48.5	175.3	178.4	0	0	0	0	109.9	W352 F368 Q376 M377 S378 E382 L383 L384 W464	W352-V380 HydrophobicContact CH2-CG1 3.66Å; W352-V380 HydrophobicContact CH2-CG2 4.35Å; W352-V380 HydrophobicContact CZ2-CG1 4.06Å; W352-V380 HydrophobicContact CZ2-CG2 3.89Å; F368-V380 HydrophobicContact CD1-CG2 4.25Å; F368-V380 HydrophobicContact CD2-CG2 4.15Å; F368-V380 HydrophobicContact CE1-CG2 4.29Å; F368-V380 HydrophobicContact CE2-CG2 4.2Å; F368-V380 HydrophobicContact CG-CG2 4.17Å; F368-V380 HydrophobicContact CZ-CG2 4.26Å; Q376-V380 WeakPolarHBondContact O-CG2 3.29Å; Q376-V380 PolarHBondContact O-N 3.4Å; M377-V380 PolarHBondContact O-N 3.09Å; S378-V380 VanDerWaalsContact C-N 3.35Å; V380-E382 VanDerWaalsContact C-N 3.34Å; V380-E382 PolarHBondContact O-N 2.79Å; V380-L383 PolarHBondContact O-N 2.7Å; V380-L384 HydrophobicContact CG1-CD1 3.77Å; V380-L384 HydrophobicContact CG1-CG 4.3Å; V380-L384 WeakPolarHBondContact O-CB 3.42Å; V380-L384 PolarHBondContact O-N 2.86Å; V380-W464 HydrophobicContact CB-CH2 4.26Å; V380-W464 HydrophobicContact CG1-CH2 3.43Å; V380-W464 VanDerWaalsContact CG1-CH2 3.43Å; V380-W464 HydrophobicContact CG1-CZ2 3.59Å; V380-W464 HydrophobicContact CG1-CZ3 4.05Å
381	M	98.5	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-38.9	178.1	-71.2	-171.3	-82.6	0	0	112.6	M377 S378 L383 G385 M386 I402 P408 Y410 P437 S438 W464	M377-M381 HydrophobicContact CB-CE 4.47Å; M377-M381 HydrophobicContact CG-CE 3.62Å; M377-M381 WeakPolarHBondContact O-CG 3.48Å; M377-M381 PolarHBondContact O-N 2.97Å; S378-M381 PolarHBondContact O-N 2.91Å; M381-L383 PolarHBondContact O-N 3.04Å; M381-G385 WeakPolarHBondContact CA-O 3.47Å; M381-G385 VanDerWaalsContact O-CA 3.25Å; M381-G385 WeakPolarHBondContact O-CA 3.36Å; M381-G385 PolarHBondContact O-N 2.9Å; M381-M386 HydrophobicContact SD-CE 4.48Å; M381-M386 HydrophobicContact SD-SD 3.84Å; M381-I402 HydrophobicContact CE-CD1 4.27Å; M381-I402 HydrophobicContact SD-CD1 3.84Å; M381-P408 HydrophobicContact CE-CB 3.84Å; M381-P408 HydrophobicContact SD-CB 3.84Å; M381-Y410 HydrophobicContact CB-CE1 4.2Å; M381-Y410 HydrophobicContact CE-CD1 3.64Å; M381-Y410 HydrophobicContact CE-CE1 3.51Å; M381-Y410 HydrophobicContact SD-CE1 4.28Å; M381-P437 CarbonylContact O-C 3.53Å; M381-P437 VanDerWaalsContact O-CA 3.24Å; M381-P437 WeakPolarHBondContact O-CA 3.48Å; M381-S438 PolarHBondContact O-N 3.45Å; M381-W464 HydrophobicContact CG-CH2 3.99Å; M381-W464 HydrophobicContact CG-CZ2 4.1Å
382	E	98.3	Very high	97.4	Very high	25 Å²	25	27.8 Å²	27.8	12%	0.117	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-35.6	177.3	-172.3	-173.2	-157.1	0	0	112.5	S378 V380 G435 S438 S439 R440	S378-E382 VanDerWaalsContact O-CB 3.26Å; S378-E382 WeakPolarHBondContact O-CB 3.49Å; S378-E382 PolarHBondContact O-N 3.33Å; V380-E382 VanDerWaalsContact C-N 3.34Å; V380-E382 PolarHBondContact O-N 2.79Å; E382-G435 VanDerWaalsContact CD-N 3.35Å; E382-G435 PolarHBondContact OE1-N 3.31Å; E382-S438 CarbonylContact O-C 3.56Å; E382-S438 VanDerWaalsContact O-C 3.31Å; E382-S438 VanDerWaalsContact O-CA 3.29Å; E382-S438 WeakPolarHBondContact O-CA 3.41Å; E382-S438 PolarHBondContact O-N 3.1Å; E382-S439 PolarHBondContact O-N 3.39Å; E382-S439 VanDerWaalsContact O-N 3.08Å; E382-R440 HydrophobicContact CG-CB 3.79Å; E382-R440 PolarHBondContact O-N 3.45Å
383	L	98.4	Very high	97.3	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-91.7	-46.3	178.8	-178.2	60.6	0	0	0	113.3	L367 F368 L379 V380 M381 R440 W442 A445	L367-L383 HydrophobicContact CD1-CD2 3.9Å; L367-L383 HydrophobicContact CD2-CD2 4.19Å; L367-L383 HydrophobicContact CG-CD2 4.24Å; F368-L383 HydrophobicContact CE1-CB 4.03Å; F368-L383 HydrophobicContact CE1-CD2 3.67Å; F368-L383 HydrophobicContact CE1-CG 4.48Å; F368-L383 HydrophobicContact CZ-CD2 3.82Å; L379-L383 PolarHBondContact O-N 2.99Å; V380-L383 PolarHBondContact O-N 2.7Å; M381-L383 PolarHBondContact O-N 3.04Å; L383-R440 HydrophobicContact CD1-CG 4.32Å; L383-R440 WeakPolarHBondContact CD1-O 3.43Å; L383-W442 HydrophobicContact CD1-CD2 4.17Å; L383-W442 HydrophobicContact CD1-CE3 4.47Å; L383-W442 HydrophobicContact CD1-CG 4.44Å; L383-W442 HydrophobicContact CD2-CE3 4.41Å; L383-W442 HydrophobicContact CD2-CH2 4.05Å; L383-W442 HydrophobicContact CD2-CZ2 4.36Å; L383-W442 HydrophobicContact CD2-CZ3 4.06Å; L383-W442 HydrophobicContact CG-CH2 4.49Å; L383-W442 HydrophobicContact CG-CZ2 4.31Å; L383-A445 HydrophobicContact CD1-CB 3.84Å; L383-A445 HydrophobicContact CD2-CB 4.26Å
384	L	98.4	Very high	97.2	Very high	37 Å²	37	33 Å²	33	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-97.2	-8	-169.4	-56	-174.4	0	0	0	113.9	W352 V380 W442 L462 W464	W352-L384 HydrophobicContact CH2-CD1 3.66Å; W352-L384 HydrophobicContact CZ3-CD1 4.04Å; V380-L384 HydrophobicContact CG1-CD1 3.77Å; V380-L384 HydrophobicContact CG1-CG 4.3Å; V380-L384 WeakPolarHBondContact O-CB 3.42Å; V380-L384 PolarHBondContact O-N 2.86Å; L384-W442 HydrophobicContact CD2-CH2 3.89Å; L384-W442 HydrophobicContact CD2-CZ2 3.39Å; L384-L462 HydrophobicContact CD1-CB 4.42Å; L384-L462 VanDerWaalsContact CD1-O 3.25Å; L384-L462 WeakPolarHBondContact CD1-O 3.13Å; L384-W464 HydrophobicContact CB-CZ2 4.22Å
385	G	97.9	Very high	97.2	Very high	4 Å²	4	31.1 Å²	31.1	4%	0.041	18%	0.183	C	C	.	.			trans	80.2	-166.6	-170.9	0	0	0	0	0	113	M381 S438 W464	M381-G385 WeakPolarHBondContact CA-O 3.47Å; M381-G385 VanDerWaalsContact O-CA 3.25Å; M381-G385 WeakPolarHBondContact O-CA 3.36Å; M381-G385 PolarHBondContact O-N 2.9Å; G385-S438 WeakPolarHBondContact CA-OG 3.23Å; G385-S438 PolarHBondContact N-OG 3.29Å; G385-W464 VanDerWaalsContact O-CZ2 3.23Å; G385-W464 WeakPolarHBondContact O-CZ2 3.5Å
386	M	97.8	Very high	97.1	Very high	69 Å²	69	39.7 Å²	39.7	34%	0.34	22%	0.22	S	C	.	.	S	Bend	trans	-73.5	143.1	-176.2	-68.6	-65.8	-67.6	0	0	111.9	M381 I402 G406 P408 P437	M381-M386 HydrophobicContact SD-CE 4.48Å; M381-M386 HydrophobicContact SD-SD 3.84Å; M386-I402 HydrophobicContact CE-CD1 3.75Å; M386-I402 HydrophobicContact CE-CG2 4.46Å; M386-G406 WeakPolarHBondContact CE-O 3.48Å; M386-P408 HydrophobicContact CE-CB 4.47Å; M386-P408 HydrophobicContact SD-CB 4.14Å; M386-P408 HydrophobicContact SD-CG 3.95Å; M386-P437 HydrophobicContact CG-CB 4Å; M386-P437 HydrophobicContact CG-CG 4.09Å; M386-P437 HydrophobicContact SD-CB 4.05Å; M386-P437 HydrophobicContact SD-CG 3.55Å; M386-P437 VanDerWaalsContact SD-CG 3.55Å
387	P	97.4	Very high	97	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.052	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-60.7	140.9	171.4	23.7	-33	0	0	0	111.2	L391 L392 I402 W464	P387-L391 HydrophobicContact CB-CD2 4.28Å; P387-L392 HydrophobicContact CB-CD2 4.07Å; P387-L392 HydrophobicContact CB-CG 4.21Å; P387-L392 HydrophobicContact CG-CD1 4.14Å; P387-L392 HydrophobicContact CG-CD2 3.64Å; P387-L392 HydrophobicContact CG-CG 4Å; P387-I402 HydrophobicContact CG-CD1 4.42Å; P387-W464 HydrophobicContact CB-CD2 4.07Å; P387-W464 HydrophobicContact CB-CE3 3.75Å; P387-W464 HydrophobicContact CB-CH2 4.07Å; P387-W464 HydrophobicContact CB-CZ2 4.36Å; P387-W464 HydrophobicContact CB-CZ3 3.75Å; P387-W464 HydrophobicContact CG-CH2 4.33Å; P387-W464 HydrophobicContact CG-CZ3 4.37Å
388	P	96.8	Very high	97	Very high	55 Å²	55	43.7 Å²	43.7	36%	0.357	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-59	145.5	177.2	-24.2	33.1	0	0	0	112.8	K390 L391 L392 W464	P388-K390 PolarHBondContact O-N 3.06Å; P388-L391 WeakPolarHBondContact O-CB 3.37Å; P388-L391 PolarHBondContact O-N 3.39Å; P388-L392 PolarHBondContact O-N 3.24Å; P388-L392 VanDerWaalsContact O-N 3.11Å; P388-W464 HydrophobicContact CG-CB 4.09Å
389	A	95.2	Very high	96.9	Very high	81 Å²	81	50.2 Å²	50.2	67%	0.669	27%	0.267	S	S	*	.	H	α-helix	trans	-56.5	-37.3	179.7	0	0	0	0	0	112.9	L391 L392 A393	A389-L391 VanDerWaalsContact C-N 3.31Å; A389-L391 PolarHBondContact O-N 3.26Å; A389-L392 PolarHBondContact O-N 2.84Å; A389-A393 WeakPolarHBondContact O-CB 3.13Å; A389-A393 PolarHBondContact O-N 3.28Å
390	K	94.5	Very high	96.8	Very high	110 Å²	110	56.3 Å²	56.3	48%	0.478	29%	0.29	S	S	.	.	H	α-helix	trans	-57.9	-40.5	174.9	-177.3	-171.2	171.7	-149.5	0	112.2	P388 D465	P388-K390 PolarHBondContact O-N 3.06Å; K390-D465 IonicContact NZ-OD2 3.81Å; K390-D465 PolarHBondContact NZ-OD2 2.8Å
391	L	95.3	Very high	96.7	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-43	177.6	-179.5	64.6	0	0	0	111	L341 P387 P388 A389 A393 K394 S395 W464	L341-L391 HydrophobicContact CD1-CD2 3.97Å; L341-L391 HydrophobicContact CD1-CG 4.15Å; P387-L391 HydrophobicContact CB-CD2 4.28Å; P388-L391 WeakPolarHBondContact O-CB 3.37Å; P388-L391 PolarHBondContact O-N 3.39Å; A389-L391 VanDerWaalsContact C-N 3.31Å; A389-L391 PolarHBondContact O-N 3.26Å; L391-A393 VanDerWaalsContact C-N 3.3Å; L391-A393 PolarHBondContact O-N 3.33Å; L391-K394 PolarHBondContact O-N 3.32Å; L391-S395 PolarHBondContact O-N 3.33Å; L391-W464 HydrophobicContact CD2-CB 4.23Å; L391-W464 HydrophobicContact CD2-CE3 3.89Å; L391-W464 WeakPolarHBondContact CD2-O 3.42Å
392	L	96.3	Very high	96.7	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.194	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-36.6	177.2	-67.1	179.3	0	0	0	112.5	L341 P387 P388 A389 K394 S395 A398 I402	L341-L392 HydrophobicContact CD2-CD2 4.43Å; P387-L392 HydrophobicContact CB-CD2 4.07Å; P387-L392 HydrophobicContact CB-CG 4.21Å; P387-L392 HydrophobicContact CG-CD1 4.14Å; P387-L392 HydrophobicContact CG-CD2 3.64Å; P387-L392 HydrophobicContact CG-CG 4Å; P388-L392 PolarHBondContact O-N 3.24Å; P388-L392 VanDerWaalsContact O-N 3.11Å; A389-L392 PolarHBondContact O-N 2.84Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 3.2Å; L392-S395 VanDerWaalsContact O-CB 3.32Å; L392-S395 WeakPolarHBondContact O-CB 3.31Å; L392-S395 PolarHBondContact O-N 2.96Å; L392-S395 VanDerWaalsContact O-N 3.13Å; L392-A398 HydrophobicContact CD2-CB 3.9Å; L392-I402 HydrophobicContact CD1-CG1 4.33Å; L392-I402 HydrophobicContact CD1-CG2 4.49Å; L392-I402 HydrophobicContact CD2-CG1 3.98Å
393	A	95.2	Very high	96.5	Very high	89 Å²	89	57.9 Å²	57.9	74%	0.736	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-31.6	176.4	0	0	0	0	0	113	A389 L391 S395	A389-A393 WeakPolarHBondContact O-CB 3.13Å; A389-A393 PolarHBondContact O-N 3.28Å; L391-A393 VanDerWaalsContact C-N 3.3Å; L391-A393 PolarHBondContact O-N 3.33Å; A393-S395 VanDerWaalsContact C-N 3.29Å
394	K	94.8	Very high	96.2	Very high	103 Å²	103	63.5 Å²	63.5	45%	0.448	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9	175.9	-65.1	174.7	179.4	-179.8	0	113.1	L391 L392 D467	L391-K394 PolarHBondContact O-N 3.32Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 3.2Å; K394-D467 IonicContact NZ-OD2 2.74Å; K394-D467 PolarHBondContact NZ-OD2 2.98Å; K394-D467 VanDerWaalsContact NZ-OD2 3.14Å
395	S	96.2	Very high	95.9	Very high	18 Å²	18	69.1 Å²	69.1	13%	0.126	36%	0.364	C	S	.	.			trans	-90.8	128.3	-168.7	170	0	0	0	0	113.1	L341 C343 L391 L392 A393 R397 A398	L341-S395 WeakPolarHBondContact CB-OG 3.28Å; L341-S395 PolarHBondContact O-OG 3.37Å; C343-S395 VanDerWaalsContact SG-CA 3.52Å; L391-S395 PolarHBondContact O-N 3.33Å; L392-S395 VanDerWaalsContact O-CB 3.32Å; L392-S395 WeakPolarHBondContact O-CB 3.31Å; L392-S395 PolarHBondContact O-N 2.96Å; L392-S395 VanDerWaalsContact O-N 3.13Å; A393-S395 VanDerWaalsContact C-N 3.29Å; S395-R397 VanDerWaalsContact C-N 3.33Å; S395-R397 PolarHBondContact OG-N 3.44Å; S395-A398 WeakPolarHBondContact OG-CA 3.35Å; S395-A398 WeakPolarHBondContact OG-CB 3.42Å; S395-A398 PolarHBondContact OG-N 3.43Å
396	K	96.3	Very high	95.6	Very high	180 Å²	180	70.8 Å²	70.8	78%	0.783	38%	0.38	S	S	*	.	S	Bend	trans	-77	-20	173.1	-61.9	179.4	-177.3	-179.7	0	113.2	L341 G342	L341-K396 PolarHBondContact O-N 3.17Å; G342-K396 WeakPolarHBondContact O-CG 3.07Å
397	R	97.2	Very high	95.4	Very high	72 Å²	72	71.2 Å²	71.2	27%	0.272	38%	0.38	S	S	.	.	S	Bend	trans	-117.1	1.2	-171.9	-58.5	-179.6	70.8	-166	0.5	114	I340 L341 E373 S395 K399 Y400 F401	I340-R397 PolarHBondContact O-NH1 3.19Å; L341-R397 WeakPolarHBondContact O-CB 3.26Å; L341-R397 PolarHBondContact O-N 2.83Å; E373-R397 IonicContact OE1-CZ 3.76Å; E373-R397 IonicContact OE1-NH1 3.77Å; E373-R397 PolarHBondContact OE1-NH1 3.2Å; E373-R397 IonicContact OE1-NH2 3Å; E373-R397 IonicContact OE2-CZ 2.79Å; E373-R397 IonicContact OE2-NH1 3.62Å; E373-R397 PolarHBondContact OE2-NH1 3.47Å; E373-R397 IonicContact OE2-NH2 3.86Å; E373-R397 PolarHBondContact OE2-NH2 2.9Å; S395-R397 VanDerWaalsContact C-N 3.33Å; S395-R397 PolarHBondContact OG-N 3.44Å; R397-K399 PolarHBondContact O-N 3.23Å; R397-K399 VanDerWaalsContact O-N 3.11Å; R397-Y400 HydrophobicContact CB-CD2 3.89Å; R397-Y400 HydrophobicContact CB-CE2 4.4Å; R397-Y400 HydrophobicContact CG-CD2 4.36Å; R397-Y400 HydrophobicContact CG-CE2 4.44Å; R397-Y400 WeakPolarHBondContact O-CB 3.32Å; R397-Y400 WeakPolarHBondContact O-CD2 3.25Å; R397-Y400 PolarHBondContact O-N 3.37Å; R397-F401 HydrophobicContact CB-CE2 4.17Å; R397-F401 WeakPolarHBondContact O-CD2 3.23Å
398	A	96.9	Very high	95.4	Very high	14 Å²	14	71 Å²	71	12%	0.116	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-51.1	-40.3	-178.4	0	0	0	0	0	112.8	L392 S395 Y400 F401 I402	L392-A398 HydrophobicContact CD2-CB 3.9Å; S395-A398 WeakPolarHBondContact OG-CA 3.35Å; S395-A398 WeakPolarHBondContact OG-CB 3.42Å; S395-A398 PolarHBondContact OG-N 3.43Å; A398-Y400 PolarHBondContact O-N 2.96Å; A398-F401 PolarHBondContact O-N 2.78Å; A398-I402 PolarHBondContact O-N 2.88Å
399	K	96.5	Very high	95.3	Very high	136 Å²	136	74.4 Å²	74.4	59%	0.591	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-56.8	-21.1	178.9	69.3	179.4	180	-179.2	0	114.9	R397 R409	R397-K399 PolarHBondContact O-N 3.23Å; R397-K399 VanDerWaalsContact O-N 3.11Å; K399-R409 VanDerWaalsContact O-CZ 3.31Å; K399-R409 PolarHBondContact O-NE 3.07Å; K399-R409 PolarHBondContact O-NH2 3.1Å; K399-R409 VanDerWaalsContact O-NH2 3.13Å
400	Y	96.4	Very high	95.3	Very high	131 Å²	131	71.2 Å²	71.2	51%	0.514	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-82.6	-20.8	176.9	-62.2	-65.5	0	0	0	113.1	M374 R397 A398 R409	M374-Y400 WeakPolarHBondContact CE-O 3.36Å; R397-Y400 HydrophobicContact CB-CD2 3.89Å; R397-Y400 HydrophobicContact CB-CE2 4.4Å; R397-Y400 HydrophobicContact CG-CD2 4.36Å; R397-Y400 HydrophobicContact CG-CE2 4.44Å; R397-Y400 WeakPolarHBondContact O-CB 3.32Å; R397-Y400 WeakPolarHBondContact O-CD2 3.25Å; R397-Y400 PolarHBondContact O-N 3.37Å; A398-Y400 PolarHBondContact O-N 2.96Å; Y400-R409 WeakPolarHBondContact O-CD 3.24Å
401	F	97.1	Very high	95.4	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-29.5	-176.4	-54.9	-78.8	0	0	0	112.3	I340 L341 E373 M374 M377 R397 A398 R409	I340-F401 HydrophobicContact CG2-CE1 3.87Å; I340-F401 HydrophobicContact CG2-CE2 3.91Å; I340-F401 HydrophobicContact CG2-CZ 3.4Å; I340-F401 VanDerWaalsContact CG2-CZ 3.4Å; L341-F401 HydrophobicContact CD2-CD2 3.96Å; E373-F401 HydrophobicContact CB-CE1 4.38Å; E373-F401 HydrophobicContact CB-CZ 4.38Å; M374-F401 HydrophobicContact CE-CD1 4.11Å; M374-F401 HydrophobicContact SD-CD1 3.87Å; M377-F401 HydrophobicContact CB-CD1 3.93Å; M377-F401 HydrophobicContact CB-CE1 4.26Å; M377-F401 HydrophobicContact CG-CB 4.35Å; M377-F401 HydrophobicContact CG-CD1 4.08Å; M377-F401 HydrophobicContact CG-CG 4.28Å; R397-F401 HydrophobicContact CB-CE2 4.17Å; R397-F401 WeakPolarHBondContact O-CD2 3.23Å; A398-F401 PolarHBondContact O-N 2.78Å; F401-R409 WeakPolarHBondContact O-CB 3.34Å; F401-R409 PolarHBondContact O-N 3.01Å
402	I	96.8	Very high	95.3	Very high	12 Å²	12	70.6 Å²	70.6	6%	0.062	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-121.4	138.8	-176.2	-48.3	-59.3	0	0	0	109.4	M381 M386 P387 L392 A398 F407 P408 R409	M381-I402 HydrophobicContact CE-CD1 4.27Å; M381-I402 HydrophobicContact SD-CD1 3.84Å; M386-I402 HydrophobicContact CE-CD1 3.75Å; M386-I402 HydrophobicContact CE-CG2 4.46Å; P387-I402 HydrophobicContact CG-CD1 4.42Å; L392-I402 HydrophobicContact CD1-CG1 4.33Å; L392-I402 HydrophobicContact CD1-CG2 4.49Å; L392-I402 HydrophobicContact CD2-CG1 3.98Å; A398-I402 PolarHBondContact O-N 2.88Å; I402-F407 WeakPolarHBondContact CA-O 3.49Å; I402-P408 HydrophobicContact CD1-CB 4.36Å; I402-R409 PolarHBondContact O-NE 3.08Å
403	T	94.6	Very high	95.1	Very high	41 Å²	41	73.6 Å²	73.6	25%	0.252	38%	0.376	S	S	.	.			trans	-74.2	165.6	175.3	63.9	0	0	0	0	111.1	K405 G406 F407 R409	T403-K405 PolarHBondContact O-N 2.98Å; T403-G406 PolarHBondContact O-N 3.18Å; T403-F407 WeakPolarHBondContact CG2-O 3.36Å; T403-F407 PolarHBondContact N-O 3.46Å; T403-F407 PolarHBondContact OG1-N 3.43Å; T403-F407 PolarHBondContact OG1-O 2.83Å; T403-R409 HydrophobicContact CG2-CG 3.65Å
404	S	92.2	Very high	94.9	Very high	126 Å²	126	71.7 Å²	71.7	88%	0.881	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.4	174	50.5	0	0	0	0	113.6	G406	S404-G406 VanDerWaalsContact C-N 3.29Å
405	K	91.5	Very high	94.6	Very high	156 Å²	156	72.1 Å²	72.1	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	2.1	176.1	-62.6	-175	179.4	-176.4	0	113.5	T403 F407	T403-K405 PolarHBondContact O-N 2.98Å; K405-F407 HydrophobicContact CB-CD2 3.61Å; K405-F407 HydrophobicContact CB-CE2 3.66Å; K405-F407 HydrophobicContact CD-CE2 4.23Å
406	G	92.4	Very high	94.2	Very high	38 Å²	38	74.7 Å²	74.7	39%	0.392	38%	0.378	S	S	.	.	S	Bend	trans	85.4	1.1	-179	0	0	0	0	0	115.1	M386 T403 S404	M386-G406 WeakPolarHBondContact CE-O 3.48Å; T403-G406 PolarHBondContact O-N 3.18Å; S404-G406 VanDerWaalsContact C-N 3.29Å
407	F	93.6	Very high	93.9	Very high	78 Å²	78	73 Å²	73	34%	0.342	39%	0.386	S	S	.	.			trans	-84.1	146.1	177.8	-56.9	-62.1	0	0	0	112.5	I402 T403 K405 R409 M413 L423	I402-F407 WeakPolarHBondContact CA-O 3.49Å; T403-F407 WeakPolarHBondContact CG2-O 3.36Å; T403-F407 PolarHBondContact N-O 3.46Å; T403-F407 PolarHBondContact OG1-N 3.43Å; T403-F407 PolarHBondContact OG1-O 2.83Å; K405-F407 HydrophobicContact CB-CD2 3.61Å; K405-F407 HydrophobicContact CB-CE2 3.66Å; K405-F407 HydrophobicContact CD-CE2 4.23Å; F407-R409 PolarHBondContact O-N 3.38Å; F407-M413 HydrophobicContact CD2-SD 3.83Å; F407-M413 HydrophobicContact CE2-SD 3.65Å; F407-M413 HydrophobicContact CZ-SD 4.19Å; F407-L423 HydrophobicContact CB-CD2 4.39Å; F407-L423 HydrophobicContact CD1-CD1 4.27Å; F407-L423 HydrophobicContact CD1-CD2 4.03Å; F407-L423 HydrophobicContact CG-CD2 4.36Å
408	P	96.5	Very high	93.6	Very high	3 Å²	3	75.5 Å²	75.5	2%	0.019	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-68.6	131.2	175.8	30.3	-34.9	0	0	0	110.8	M381 M386 I402 Y410 C411 L423 P437	M381-P408 HydrophobicContact CE-CB 3.84Å; M381-P408 HydrophobicContact SD-CB 3.84Å; M386-P408 HydrophobicContact CE-CB 4.47Å; M386-P408 HydrophobicContact SD-CB 4.14Å; M386-P408 HydrophobicContact SD-CG 3.95Å; I402-P408 HydrophobicContact CD1-CB 4.36Å; P408-Y410 HydrophobicContact CB-CD1 3.73Å; P408-Y410 HydrophobicContact CB-CE1 3.64Å; P408-Y410 HydrophobicContact CG-CE1 4.12Å; P408-Y410 PolarHBondContact O-N 3.36Å; P408-C411 HydrophobicContact CG-CB 3.97Å; P408-C411 PolarHBondContact O-N 2.63Å; P408-L423 HydrophobicContact CG-CD1 4.12Å; P408-P437 HydrophobicContact CG-CG 3.78Å
409	R	96.2	Very high	93.2	Very high	128 Å²	128	77.4 Å²	77.4	48%	0.483	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.9	-175.5	-74.1	-178.7	178.5	-83.1	5.3	114.4	M374 K399 Y400 F401 I402 T403 F407 C411	M374-R409 HydrophobicContact CE-CB 4.42Å; K399-R409 VanDerWaalsContact O-CZ 3.31Å; K399-R409 PolarHBondContact O-NE 3.07Å; K399-R409 PolarHBondContact O-NH2 3.1Å; K399-R409 VanDerWaalsContact O-NH2 3.13Å; Y400-R409 WeakPolarHBondContact O-CD 3.24Å; F401-R409 WeakPolarHBondContact O-CB 3.34Å; F401-R409 PolarHBondContact O-N 3.01Å; I402-R409 PolarHBondContact O-NE 3.08Å; T403-R409 HydrophobicContact CG2-CG 3.65Å; F407-R409 PolarHBondContact O-N 3.38Å; R409-C411 VanDerWaalsContact C-N 3.26Å
410	Y	95.5	Very high	92.9	Very high	14 Å²	14	73.3 Å²	73.3	6%	0.055	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.3	175.8	82.2	-97.6	0	0	0	112.2	M381 P408 Y426 R434 G435	M381-Y410 HydrophobicContact CB-CE1 4.2Å; M381-Y410 HydrophobicContact CE-CD1 3.64Å; M381-Y410 HydrophobicContact CE-CE1 3.51Å; M381-Y410 HydrophobicContact SD-CE1 4.28Å; P408-Y410 HydrophobicContact CB-CD1 3.73Å; P408-Y410 HydrophobicContact CB-CE1 3.64Å; P408-Y410 HydrophobicContact CG-CE1 4.12Å; P408-Y410 PolarHBondContact O-N 3.36Å; Y410-Y426 AromaticContact CD2-CD1 3.31Å; Y410-Y426 HydrophobicContact CD2-CD1 3.31Å; Y410-Y426 AromaticContact CD2-CE1 3.59Å; Y410-Y426 HydrophobicContact CD2-CE1 3.59Å; Y410-Y426 HydrophobicContact CD2-CG 4.32Å; Y410-Y426 HydrophobicContact CE2-CD1 4.16Å; Y410-Y426 HydrophobicContact CE2-CE1 4.41Å; Y410-Y426 HydrophobicContact CG-CD1 4.01Å; Y410-Y426 AromaticContact CG-CE1 3.95Å; Y410-Y426 HydrophobicContact CG-CE1 3.95Å; Y410-Y426 WeakPolarHBondContact O-CB 3.25Å; Y410-R434 HydrophobicContact CE2-CB 4.42Å; Y410-G435 WeakPolarHBondContact CE2-O 3.4Å; Y410-G435 PolarHBondContact OH-O 3.14Å
411	C	96	Very high	92.4	Very high	18 Å²	18	71.5 Å²	71.5	12%	0.122	42%	0.417	C	S	.	.	S	Bend	trans	-92.7	151.6	177.6	-68.1	0	0	0	0	111.8	P408 R409 L423 K424	P408-C411 HydrophobicContact CG-CB 3.97Å; P408-C411 PolarHBondContact O-N 2.63Å; R409-C411 VanDerWaalsContact C-N 3.26Å; C411-L423 HydrophobicContact CB-CB 4.2Å; C411-L423 HydrophobicContact CB-CD2 4.07Å; C411-K424 CarbonylContact C-O 3.59Å; C411-K424 WeakPolarHBondContact CA-O 3.39Å; C411-K424 VanDerWaalsContact CB-O 3.32Å; C411-K424 WeakPolarHBondContact CB-O 3.49Å
412	T	93.3	Very high	92	Very high	82 Å²	82	71.9 Å²	71.9	50%	0.503	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.7	163.5	53.3	0	0	0	0	109.8	K424	T412-K424 PolarHBondContact N-O 2.72Å; T412-K424 PolarHBondContact O-N 3.16Å
413	M	90.9	Very high	91.9	Very high	101 Å²	101	73.9 Å²	73.9	50%	0.498	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.8	169.5	-61.4	-161	-38.1	0	0	109	F407 T421 G422 L423	F407-M413 HydrophobicContact CD2-SD 3.83Å; F407-M413 HydrophobicContact CE2-SD 3.65Å; F407-M413 HydrophobicContact CZ-SD 4.19Å; M413-T421 HydrophobicContact CB-CG2 4.06Å; M413-T421 HydrophobicContact CE-CG2 4.43Å; M413-T421 HydrophobicContact CG-CG2 4.43Å; M413-T421 HydrophobicContact SD-CG2 4.14Å; M413-G422 WeakPolarHBondContact CA-O 3.42Å; M413-L423 HydrophobicContact CG-CD2 4.15Å
414	V	91.2	Very high	91.8	Very high	48 Å²	48	78.4 Å²	78.4	29%	0.291	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.1	177.7	-65.4	0	0	0	0	109.5	L416 G422 K424	V414-L416 HydrophobicContact CG2-CD2 4.44Å; V414-G422 PolarHBondContact N-O 3.37Å; V414-G422 PolarHBondContact O-N 3.39Å; V414-K424 HydrophobicContact CG1-CB 3.8Å; V414-K424 HydrophobicContact CG1-CD 4.16Å; V414-K424 HydrophobicContact CG2-CB 4.1Å
415	T	89.9	Confident	91.8	Very high	113 Å²	113	73.3 Å²	73.3	69%	0.693	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	124.3	169.1	-51.7	0	0	0	0	108.5	S420	T415-S420 CarbonylContact C-O 3.48Å; T415-S420 WeakPolarHBondContact CA-O 3.45Å
416	L	87.5	Confident	92	Very high	72 Å²	72	68.9 Å²	68.9	38%	0.377	40%	0.396	S	S	.	.			trans	-79.2	161.5	176.4	-64.9	178.6	0	0	0	110.3	V414 D418 G419 S420	V414-L416 HydrophobicContact CG2-CD2 4.44Å; L416-D418 VanDerWaalsContact CB-OD1 3.31Å; L416-D418 WeakPolarHBondContact CB-OD1 3.48Å; L416-D418 PolarHBondContact O-N 3.32Å; L416-D418 VanDerWaalsContact O-N 3.09Å; L416-G419 PolarHBondContact O-N 3.39Å; L416-S420 WeakPolarHBondContact CD1-OG 3.27Å; L416-S420 PolarHBondContact N-O 2.9Å
417	P	88.9	Confident	92.2	Very high	144 Å²	144	75.3 Å²	75.3	94%	0.935	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.2	-177.8	-27	35.9	0	0	0	115	G419	P417-G419 VanDerWaalsContact C-N 3.26Å; P417-G419 PolarHBondContact O-N 3.32Å
418	D	91.9	Very high	92.3	Very high	124 Å²	124	71.9 Å²	71.9	66%	0.663	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	3.6	176.1	64.6	-1	0	0	0	113.5	L416 S420	L416-D418 VanDerWaalsContact CB-OD1 3.31Å; L416-D418 WeakPolarHBondContact CB-OD1 3.48Å; L416-D418 PolarHBondContact O-N 3.32Å; L416-D418 VanDerWaalsContact O-N 3.09Å; D418-S420 VanDerWaalsContact C-N 3.27Å; D418-S420 VanDerWaalsContact CG-OG 3.28Å; D418-S420 PolarHBondContact O-N 2.8Å; D418-S420 VanDerWaalsContact OD1-CB 3.23Å; D418-S420 WeakPolarHBondContact OD1-CB 3.28Å; D418-S420 PolarHBondContact OD1-N 3.05Å; D418-S420 PolarHBondContact OD1-OG 2.77Å; D418-S420 PolarHBondContact OD2-OG 2.88Å
419	G	88.8	Confident	92.2	Very high	55 Å²	55	81.6 Å²	81.6	57%	0.567	43%	0.43	S	S	*	.	S	Bend	trans	82.5	-5.5	-176.4	0	0	0	0	0	114.5	L416 P417	L416-G419 PolarHBondContact O-N 3.39Å; P417-G419 VanDerWaalsContact C-N 3.26Å; P417-G419 PolarHBondContact O-N 3.32Å
420	S	89.5	Confident	92.1	Very high	49 Å²	49	85 Å²	85	34%	0.343	44%	0.443	S	S	.	.			trans	-73.8	161.9	176.5	73.5	0	0	0	0	111.6	T415 L416 D418	T415-S420 CarbonylContact C-O 3.48Å; T415-S420 WeakPolarHBondContact CA-O 3.45Å; L416-S420 WeakPolarHBondContact CD1-OG 3.27Å; L416-S420 PolarHBondContact N-O 2.9Å; D418-S420 VanDerWaalsContact C-N 3.27Å; D418-S420 VanDerWaalsContact CG-OG 3.28Å; D418-S420 PolarHBondContact O-N 2.8Å; D418-S420 VanDerWaalsContact OD1-CB 3.23Å; D418-S420 WeakPolarHBondContact OD1-CB 3.28Å; D418-S420 PolarHBondContact OD1-N 3.05Å; D418-S420 PolarHBondContact OD1-OG 2.77Å; D418-S420 PolarHBondContact OD2-OG 2.88Å
421	T	86.2	Confident	92.1	Very high	94 Å²	94	86 Å²	86	58%	0.577	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.6	176.9	-54.8	0	0	0	0	110	M413	M413-T421 HydrophobicContact CB-CG2 4.06Å; M413-T421 HydrophobicContact CE-CG2 4.43Å; M413-T421 HydrophobicContact CG-CG2 4.43Å; M413-T421 HydrophobicContact SD-CG2 4.14Å
422	G	89.6	Confident	92.1	Very high	14 Å²	14	89.5 Å²	89.5	14%	0.144	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	166.1	172.8	0	0	0	0	0	112.6	M413 V414	M413-G422 WeakPolarHBondContact CA-O 3.42Å; V414-G422 PolarHBondContact N-O 3.37Å; V414-G422 PolarHBondContact O-N 3.39Å
423	L	92.9	Very high	92.2	Very high	54 Å²	54	89.8 Å²	89.8	28%	0.283	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.9	169.1	-67.1	175.8	0	0	0	109.5	F407 P408 C411 M413 A436 P437	F407-L423 HydrophobicContact CB-CD2 4.39Å; F407-L423 HydrophobicContact CD1-CD1 4.27Å; F407-L423 HydrophobicContact CD1-CD2 4.03Å; F407-L423 HydrophobicContact CG-CD2 4.36Å; P408-L423 HydrophobicContact CG-CD1 4.12Å; C411-L423 HydrophobicContact CB-CB 4.2Å; C411-L423 HydrophobicContact CB-CD2 4.07Å; M413-L423 HydrophobicContact CG-CD2 4.15Å; L423-A436 HydrophobicContact CB-CB 4.17Å; L423-P437 HydrophobicContact CD1-CG 4.42Å
424	K	93.2	Very high	92.5	Very high	136 Å²	136	85.9 Å²	85.9	59%	0.591	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.4	168.5	-172.9	176	-179.8	176.7	0	108.3	C411 T412 V414	C411-K424 CarbonylContact C-O 3.59Å; C411-K424 WeakPolarHBondContact CA-O 3.39Å; C411-K424 VanDerWaalsContact CB-O 3.32Å; C411-K424 WeakPolarHBondContact CB-O 3.49Å; T412-K424 PolarHBondContact N-O 2.72Å; T412-K424 PolarHBondContact O-N 3.16Å; V414-K424 HydrophobicContact CG1-CB 3.8Å; V414-K424 HydrophobicContact CG1-CD 4.16Å; V414-K424 HydrophobicContact CG2-CB 4.1Å
425	G	93.3	Very high	92.7	Very high	18 Å²	18	84.6 Å²	84.6	19%	0.186	45%	0.45	C	S	.	.			trans	-69.8	-165.2	173.8	0	0	0	0	0	112.9	R434	G425-R434 CarbonylContact C-O 3.31Å; G425-R434 WeakPolarHBondContact CA-O 3.29Å
426	Y	95.3	Very high	93	Very high	64 Å²	64	80.3 Å²	80.3	25%	0.251	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	-176.6	-173.5	80.6	-52.4	0	0	0	112.1	D375 S378 Y410 R434	D375-Y426 WeakPolarHBondContact CA-OH 3.06Å; D375-Y426 WeakPolarHBondContact CB-OH 3.4Å; D375-Y426 PolarHBondContact OD1-OH 3.19Å; S378-Y426 PolarHBondContact OG-OH 3.49Å; Y410-Y426 AromaticContact CD2-CD1 3.31Å; Y410-Y426 HydrophobicContact CD2-CD1 3.31Å; Y410-Y426 AromaticContact CD2-CE1 3.59Å; Y410-Y426 HydrophobicContact CD2-CE1 3.59Å; Y410-Y426 HydrophobicContact CD2-CG 4.32Å; Y410-Y426 HydrophobicContact CE2-CD1 4.16Å; Y410-Y426 HydrophobicContact CE2-CE1 4.41Å; Y410-Y426 HydrophobicContact CG-CD1 4.01Å; Y410-Y426 AromaticContact CG-CE1 3.95Å; Y410-Y426 HydrophobicContact CG-CE1 3.95Å; Y410-Y426 WeakPolarHBondContact O-CB 3.25Å; Y426-R434 HydrophobicContact CD1-CB 3.68Å; Y426-R434 HydrophobicContact CD1-CG 3.88Å; Y426-R434 HydrophobicContact CE1-CB 3.59Å; Y426-R434 HydrophobicContact CE1-CG 3.38Å; Y426-R434 PolarHBondContact N-O 2.73Å; Y426-R434 VanDerWaalsContact N-O 3.07Å; Y426-R434 PolarHBondContact O-N 3.08Å
427	R	95.7	Very high	93.5	Very high	172 Å²	172	78 Å²	78	65%	0.649	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	133	166.6	-68.7	-176.7	175.4	-83.7	0.3	109	G431 K432	R427-G431 PolarHBondContact NH1-O 3.04Å; R427-K432 CarbonylContact C-O 3.46Å; R427-K432 VanDerWaalsContact CA-O 3.31Å; R427-K432 WeakPolarHBondContact CA-O 3.48Å
428	S	95.5	Very high	93.9	Very high	6 Å²	6	75 Å²	75	4%	0.042	40%	0.397	C	S	.	.			trans	-58.8	173	173.4	76.9	0	0	0	0	111.4	E371 R430 G431 K432	E371-S428 VanDerWaalsContact CD-OG 3.29Å; E371-S428 VanDerWaalsContact OE1-CB 3.31Å; E371-S428 WeakPolarHBondContact OE1-CB 3.45Å; E371-S428 PolarHBondContact OE1-OG 3.23Å; E371-S428 PolarHBondContact OE2-OG 3.14Å; S428-R430 PolarHBondContact O-N 2.81Å; S428-R430 PolarHBondContact OG-N 2.89Å; S428-G431 WeakPolarHBondContact O-CA 3.45Å; S428-G431 PolarHBondContact O-N 3.06Å; S428-K432 PolarHBondContact N-O 2.79Å; S428-K432 WeakPolarHBondContact OG-CB 3.39Å; S428-K432 PolarHBondContact OG-N 3.1Å; S428-K432 VanDerWaalsContact OG-N 3.09Å
429	R	94.3	Very high	94.1	Very high	208 Å²	208	72.4 Å²	72.4	79%	0.785	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-31	178.3	-163.7	-176.8	-52	-168.9	5.1	112.4	E371 D372 G431	E371-R429 VanDerWaalsContact OE2-CB 3.31Å; E371-R429 WeakPolarHBondContact OE2-CB 3.31Å; E371-R429 PolarHBondContact OE2-N 3.4Å; E371-R429 VanDerWaalsContact OE2-N 3.12Å; D372-R429 IonicContact OD2-CZ 2.85Å; D372-R429 IonicContact OD2-NH2 3.49Å; D372-R429 PolarHBondContact OD2-NH2 3.17Å; R429-G431 VanDerWaalsContact C-N 3.31Å
430	R	95.2	Very high	94.5	Very high	200 Å²	200	72.5 Å²	72.5	76%	0.755	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	15	173.3	-54.2	174.4	-176.1	179.3	0.8	113.7	E371 S428 K432	E371-R430 HydrophobicContact CG-CG 4.45Å; E371-R430 VanDerWaalsContact OE1-CB 3.27Å; E371-R430 WeakPolarHBondContact OE1-CB 3.38Å; E371-R430 WeakPolarHBondContact OE1-CG 3.1Å; E371-R430 PolarHBondContact OE2-N 3.2Å; S428-R430 PolarHBondContact O-N 2.81Å; S428-R430 PolarHBondContact OG-N 2.89Å; R430-K432 PolarHBondContact O-N 3.49Å
431	G	95.3	Very high	94.9	Very high	34 Å²	34	73.3 Å²	73.3	35%	0.351	38%	0.378	S	S	.	.			trans	81	5.7	173.6	0	0	0	0	0	115.8	R427 S428 R429	R427-G431 PolarHBondContact NH1-O 3.04Å; S428-G431 WeakPolarHBondContact O-CA 3.45Å; S428-G431 PolarHBondContact O-N 3.06Å; R429-G431 VanDerWaalsContact C-N 3.31Å
432	K	95.4	Very high	95.4	Very high	91 Å²	91	70.8 Å²	70.8	40%	0.396	36%	0.358	S	S	.	.			trans	-72.7	129.2	-179.3	-63	-175.7	176.6	-177.2	0	110.2	R427 S428 R430	R427-K432 CarbonylContact C-O 3.46Å; R427-K432 VanDerWaalsContact CA-O 3.31Å; R427-K432 WeakPolarHBondContact CA-O 3.48Å; S428-K432 PolarHBondContact N-O 2.79Å; S428-K432 WeakPolarHBondContact OG-CB 3.39Å; S428-K432 PolarHBondContact OG-N 3.1Å; S428-K432 VanDerWaalsContact OG-N 3.09Å; R430-K432 PolarHBondContact O-N 3.49Å
433	P	96.1	Very high	95.7	Very high	89 Å²	89	73.4 Å²	73.4	58%	0.578	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	142.4	177.3	29.6	-34.2	0	0	0	110.6
434	R	96.5	Very high	95.9	Very high	19 Å²	19	74.7 Å²	74.7	7%	0.072	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.1	169.7	-52.2	-62.3	-177.3	-146	9.3	107.1	D375 Y410 G425 Y426	D375-R434 IonicContact OD1-CZ 3.74Å; D375-R434 IonicContact OD1-NE 3.73Å; D375-R434 PolarHBondContact OD1-NE 3.03Å; D375-R434 IonicContact OD1-NH2 3.14Å; D375-R434 PolarHBondContact OD1-NH2 2.95Å; D375-R434 IonicContact OD2-CZ 3.45Å; D375-R434 IonicContact OD2-NE 2.62Å; D375-R434 IonicContact OD2-NH2 2.69Å; D375-R434 PolarHBondContact OD2-NH2 2.83Å; Y410-R434 HydrophobicContact CE2-CB 4.42Å; G425-R434 CarbonylContact C-O 3.31Å; G425-R434 WeakPolarHBondContact CA-O 3.29Å; Y426-R434 HydrophobicContact CD1-CB 3.68Å; Y426-R434 HydrophobicContact CD1-CG 3.88Å; Y426-R434 HydrophobicContact CE1-CB 3.59Å; Y426-R434 HydrophobicContact CE1-CG 3.38Å; Y426-R434 PolarHBondContact N-O 2.73Å; Y426-R434 VanDerWaalsContact N-O 3.07Å; Y426-R434 PolarHBondContact O-N 3.08Å
435	G	96.2	Very high	96.1	Very high	20 Å²	20	68.4 Å²	68.4	21%	0.206	36%	0.361	C	S	.	.			trans	-78.5	178.8	179.3	0	0	0	0	0	113.8	E382 Y410 S439	E382-G435 VanDerWaalsContact CD-N 3.35Å; E382-G435 PolarHBondContact OE1-N 3.31Å; Y410-G435 WeakPolarHBondContact CE2-O 3.4Å; Y410-G435 PolarHBondContact OH-O 3.14Å; G435-S439 VanDerWaalsContact CA-OG 3.27Å; G435-S439 WeakPolarHBondContact CA-OG 3.28Å
436	A	96.3	Very high	96.3	Very high	23 Å²	23	67.6 Å²	67.6	19%	0.19	35%	0.353	C	S	.	.	S	Bend	trans	-67.7	165.5	174.8	0	0	0	0	0	111	L423 S438 S439	L423-A436 HydrophobicContact CB-CB 4.17Å; A436-S438 PolarHBondContact O-N 2.87Å; A436-S439 PolarHBondContact N-OG 2.96Å; A436-S439 VanDerWaalsContact O-CB 3.28Å; A436-S439 WeakPolarHBondContact O-CB 3.35Å; A436-S439 PolarHBondContact O-N 3.37Å; A436-S439 PolarHBondContact O-OG 3.44Å
437	P	97.3	Very high	96.4	Very high	24 Å²	24	70.4 Å²	70.4	16%	0.156	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	137.5	174.1	-27	34.8	0	0	0	112.2	M381 M386 P408 L423 S439	M381-P437 CarbonylContact O-C 3.53Å; M381-P437 VanDerWaalsContact O-CA 3.24Å; M381-P437 WeakPolarHBondContact O-CA 3.48Å; M386-P437 HydrophobicContact CG-CB 4Å; M386-P437 HydrophobicContact CG-CG 4.09Å; M386-P437 HydrophobicContact SD-CB 4.05Å; M386-P437 HydrophobicContact SD-CG 3.55Å; M386-P437 VanDerWaalsContact SD-CG 3.55Å; P408-P437 HydrophobicContact CG-CG 3.78Å; L423-P437 HydrophobicContact CD1-CG 4.42Å; P437-S439 PolarHBondContact O-N 2.85Å; P437-S439 VanDerWaalsContact O-N 3.16Å
438	S	97	Very high	96.4	Very high	80 Å²	80	64.5 Å²	64.5	56%	0.559	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	10.8	-176.8	-55.1	0	0	0	0	116.3	M381 E382 G385 A436 R440	M381-S438 PolarHBondContact O-N 3.45Å; E382-S438 CarbonylContact O-C 3.56Å; E382-S438 VanDerWaalsContact O-C 3.31Å; E382-S438 VanDerWaalsContact O-CA 3.29Å; E382-S438 WeakPolarHBondContact O-CA 3.41Å; E382-S438 PolarHBondContact O-N 3.1Å; G385-S438 WeakPolarHBondContact CA-OG 3.23Å; G385-S438 PolarHBondContact N-OG 3.29Å; A436-S438 PolarHBondContact O-N 2.87Å; S438-R440 VanDerWaalsContact C-N 3.35Å
439	S	97	Very high	96.5	Very high	70 Å²	70	64.9 Å²	64.9	49%	0.49	36%	0.361	S	S	.	.			trans	-76.6	-19	179.9	71.7	0	0	0	0	114.3	E382 G435 A436 P437	E382-S439 PolarHBondContact O-N 3.39Å; E382-S439 VanDerWaalsContact O-N 3.08Å; G435-S439 VanDerWaalsContact CA-OG 3.27Å; G435-S439 WeakPolarHBondContact CA-OG 3.28Å; A436-S439 PolarHBondContact N-OG 2.96Å; A436-S439 VanDerWaalsContact O-CB 3.28Å; A436-S439 WeakPolarHBondContact O-CB 3.35Å; A436-S439 PolarHBondContact O-N 3.37Å; A436-S439 PolarHBondContact O-OG 3.44Å; P437-S439 PolarHBondContact O-N 2.85Å; P437-S439 VanDerWaalsContact O-N 3.16Å
440	R	97.1	Very high	96.5	Very high	57 Å²	57	61.7 Å²	61.7	22%	0.215	36%	0.359	C	S	.	.	S	Bend	trans	-95.2	121.5	176.6	-177.7	179.3	-177.9	-160.2	-0.5	109.7	L367 E382 L383 S438	L367-R440 PolarHBondContact O-NH1 3.05Å; E382-R440 HydrophobicContact CG-CB 3.79Å; E382-R440 PolarHBondContact O-N 3.45Å; L383-R440 HydrophobicContact CD1-CG 4.32Å; L383-R440 WeakPolarHBondContact CD1-O 3.43Å; S438-R440 VanDerWaalsContact C-N 3.35Å
441	S	96.9	Very high	96.6	Very high	66 Å²	66	53.5 Å²	53.5	46%	0.462	33%	0.331	S	S	.	.			trans	-78.6	154.1	177.9	72.2	0	0	0	0	112.5	S443 S444 A445	S441-S443 VanDerWaalsContact C-N 3.32Å; S441-S443 PolarHBondContact O-N 3.22Å; S441-S444 PolarHBondContact O-N 3.05Å; S441-S444 WeakPolarHBondContact OG-CB 3.38Å; S441-S444 PolarHBondContact OG-N 2.98Å; S441-A445 WeakPolarHBondContact O-CB 3.17Å; S441-A445 PolarHBondContact O-N 3.41Å
442	W	97.3	Very high	96.6	Very high	42 Å²	42	59.5 Å²	59.5	16%	0.159	35%	0.349	C	S	.	.	H	α-helix	trans	-61	-38.4	173.6	-76.5	95.9	0	0	0	113	L383 L384 S444 A445 L446 I455 V458 K459 L462	L383-W442 HydrophobicContact CD1-CD2 4.17Å; L383-W442 HydrophobicContact CD1-CE3 4.47Å; L383-W442 HydrophobicContact CD1-CG 4.44Å; L383-W442 HydrophobicContact CD2-CE3 4.41Å; L383-W442 HydrophobicContact CD2-CH2 4.05Å; L383-W442 HydrophobicContact CD2-CZ2 4.36Å; L383-W442 HydrophobicContact CD2-CZ3 4.06Å; L383-W442 HydrophobicContact CG-CH2 4.49Å; L383-W442 HydrophobicContact CG-CZ2 4.31Å; L384-W442 HydrophobicContact CD2-CH2 3.89Å; L384-W442 HydrophobicContact CD2-CZ2 3.39Å; W442-S444 VanDerWaalsContact C-N 3.35Å; W442-S444 PolarHBondContact O-N 3.4Å; W442-A445 PolarHBondContact O-N 3.43Å; W442-L446 HydrophobicContact CE3-CD1 4.11Å; W442-L446 HydrophobicContact CE3-CG 4.45Å; W442-L446 WeakPolarHBondContact O-CB 3.31Å; W442-L446 WeakPolarHBondContact O-CG 3.5Å; W442-L446 PolarHBondContact O-N 3.12Å; W442-I455 HydrophobicContact CB-CG2 4.45Å; W442-V458 HydrophobicContact CH2-CG1 4.11Å; W442-V458 HydrophobicContact CZ3-CG1 3.69Å; W442-K459 HydrophobicContact CD2-CG 4.26Å; W442-K459 HydrophobicContact CH2-CG 3.96Å; W442-K459 HydrophobicContact CZ2-CB 4.5Å; W442-K459 HydrophobicContact CZ2-CD 4.49Å; W442-K459 HydrophobicContact CZ2-CG 3.48Å; W442-K459 VanDerWaalsContact CZ2-CG 3.48Å; W442-L462 HydrophobicContact CH2-CD1 3.95Å; W442-L462 HydrophobicContact CZ3-CD1 4.38Å
443	S	96	Very high	96.7	Very high	68 Å²	68	57.8 Å²	57.8	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-46.4	175.1	177.8	0	0	0	0	111	S441 L446 K447 G448	S441-S443 VanDerWaalsContact C-N 3.32Å; S441-S443 PolarHBondContact O-N 3.22Å; S443-L446 CarbonylContact O-C 3.58Å; S443-L446 PolarHBondContact O-N 3.13Å; S443-K447 PolarHBondContact O-N 3.38Å; S443-G448 PolarHBondContact O-N 3.2Å
444	S	96.5	Very high	96.8	Very high	81 Å²	81	53.6 Å²	53.6	57%	0.566	32%	0.317	S	S	*	.	H	α-helix	trans	-64.2	-43.3	174.5	178.9	0	0	0	0	112	S441 W442 L446 K447	S441-S444 PolarHBondContact O-N 3.05Å; S441-S444 WeakPolarHBondContact OG-CB 3.38Å; S441-S444 PolarHBondContact OG-N 2.98Å; W442-S444 VanDerWaalsContact C-N 3.35Å; W442-S444 PolarHBondContact O-N 3.4Å; S444-L446 VanDerWaalsContact C-N 3.26Å; S444-L446 PolarHBondContact O-N 2.99Å; S444-K447 PolarHBondContact O-N 3.39Å
445	A	97.6	Very high	96.9	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-31.4	-179.5	0	0	0	0	0	113.5	L367 L383 S441 W442	L367-A445 HydrophobicContact CD1-CB 4.01Å; L383-A445 HydrophobicContact CD1-CB 3.84Å; L383-A445 HydrophobicContact CD2-CB 4.26Å; S441-A445 WeakPolarHBondContact O-CB 3.17Å; S441-A445 PolarHBondContact O-N 3.41Å; W442-A445 PolarHBondContact O-N 3.43Å
446	L	98	Very high	97	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	26	-177.5	-59.4	176.3	0	0	0	113.2	C359 T363 W442 S443 S444 G448 C449 F454 I455	C359-L446 HydrophobicContact CB-CD2 3.98Å; T363-L446 HydrophobicContact CG2-CD2 4.28Å; W442-L446 HydrophobicContact CE3-CD1 4.11Å; W442-L446 HydrophobicContact CE3-CG 4.45Å; W442-L446 WeakPolarHBondContact O-CB 3.31Å; W442-L446 WeakPolarHBondContact O-CG 3.5Å; W442-L446 PolarHBondContact O-N 3.12Å; S443-L446 CarbonylContact O-C 3.58Å; S443-L446 PolarHBondContact O-N 3.13Å; S444-L446 VanDerWaalsContact C-N 3.26Å; S444-L446 PolarHBondContact O-N 2.99Å; L446-G448 VanDerWaalsContact C-N 3.27Å; L446-G448 PolarHBondContact O-N 3.36Å; L446-C449 HydrophobicContact CB-CB 3.76Å; L446-C449 WeakPolarHBondContact O-CB 3.44Å; L446-C449 PolarHBondContact O-N 3.23Å; L446-C449 VanDerWaalsContact O-N 3.1Å; L446-F454 HydrophobicContact CD1-CD1 4.44Å; L446-F454 HydrophobicContact CD1-CE1 4.21Å; L446-F454 HydrophobicContact CD2-CE1 4.35Å; L446-I455 HydrophobicContact CD1-CG1 3.94Å
447	K	96.6	Very high	97.1	Very high	123 Å²	123	54.6 Å²	54.6	54%	0.535	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	41.3	176.6	-66.8	-171.9	172.3	178.5	0	114.1	T363 S443 S444	T363-K447 HydrophobicContact CG2-CG 4.23Å; T363-K447 VanDerWaalsContact O-CE 3.23Å; T363-K447 WeakPolarHBondContact O-CE 3.47Å; T363-K447 PolarHBondContact O-NZ 2.95Å; S443-K447 PolarHBondContact O-N 3.38Å; S444-K447 PolarHBondContact O-N 3.39Å
448	G	96.4	Very high	97.2	Very high	47 Å²	47	53.4 Å²	53.4	49%	0.485	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	11.3	177.1	0	0	0	0	0	115.1	S443 L446 D450	S443-G448 PolarHBondContact O-N 3.2Å; L446-G448 VanDerWaalsContact C-N 3.27Å; L446-G448 PolarHBondContact O-N 3.36Å; G448-D450 PolarHBondContact O-N 3.24Å
449	C	96.6	Very high	97.3	Very high	14 Å²	14	54 Å²	54	10%	0.095	30%	0.301	C	S	.	.			trans	-56	133.2	173.9	-173.1	0	0	0	0	111.8	H362 L446	H362-C449 WeakPolarHBondContact NE2-CB 3.28Å; L446-C449 HydrophobicContact CB-CB 3.76Å; L446-C449 WeakPolarHBondContact O-CB 3.44Å; L446-C449 PolarHBondContact O-N 3.23Å; L446-C449 VanDerWaalsContact O-N 3.1Å
450	D	95	Very high	97.3	Very high	142 Å²	142	56.6 Å²	56.6	76%	0.759	30%	0.3	S	S	*	.			trans	-118.8	2.6	-177.6	62	-11.3	0	0	0	113.4	G448 E452	G448-D450 PolarHBondContact O-N 3.24Å; D450-E452 PolarHBondContact O-N 2.95Å
451	D	96.8	Very high	97.4	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.15	29%	0.29	C	S	.	.			trans	-71.5	95.8	174.1	-172.7	-29.4	0	0	0	110	L268 N453 F454 I455	L268-D451 HydrophobicContact CD1-CB 3.53Å; D451-N453 PolarHBondContact O-N 3.38Å; D451-N453 VanDerWaalsContact O-N 3.15Å; D451-N453 WeakPolarHBondContact OD1-CB 3.31Å; D451-N453 PolarHBondContact OD1-N 3.45Å; D451-F454 HydrophobicContact CB-CB 4.03Å; D451-F454 WeakPolarHBondContact O-CB 3.35Å; D451-F454 PolarHBondContact O-N 3.31Å; D451-F454 PolarHBondContact OD1-N 3.37Å; D451-F454 VanDerWaalsContact OD1-N 3.16Å; D451-I455 WeakPolarHBondContact O-CG1 3.42Å; D451-I455 PolarHBondContact O-N 2.78Å
452	E	96.7	Very high	97.5	Very high	159 Å²	159	50.9 Å²	50.9	74%	0.743	27%	0.269	S	S	*	.	H	α-helix	trans	-54.3	-34	-179.4	-62.4	-175.2	152.1	0	0	113.1	D450 I455 D456	D450-E452 PolarHBondContact O-N 2.95Å; E452-I455 PolarHBondContact O-N 2.89Å; E452-D456 WeakPolarHBondContact O-CB 3.25Å; E452-D456 PolarHBondContact O-N 3.44Å
453	N	97.5	Very high	97.6	Very high	56 Å²	56	52.4 Å²	52.4	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-72.4	-36.7	-179.8	-57.8	-81.1	0	0	0	111.2	D451 F457 H478 C479 W480	D451-N453 PolarHBondContact O-N 3.38Å; D451-N453 VanDerWaalsContact O-N 3.15Å; D451-N453 WeakPolarHBondContact OD1-CB 3.31Å; D451-N453 PolarHBondContact OD1-N 3.45Å; N453-F457 VanDerWaalsContact O-CB 3.25Å; N453-F457 WeakPolarHBondContact O-CB 3.39Å; N453-F457 PolarHBondContact O-N 3.5Å; N453-H478 PolarHBondContact O-CE1 2.93Å; N453-C479 PolarHBondContact OD1-SG 3.26Å; N453-W480 HydrophobicContact CB-CB 3.88Å; N453-W480 HydrophobicContact CB-CG 4.45Å
454	F	98.1	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-43.7	173.6	177.2	-118.9	0	0	0	111.1	L268 V271 L358 H362 L446 D451 F457 V458 W480	L268-F454 HydrophobicContact CD1-CB 4.48Å; L268-F454 HydrophobicContact CD2-CB 4.37Å; L268-F454 HydrophobicContact CD2-CD1 3.72Å; L268-F454 HydrophobicContact CD2-CD2 4.09Å; L268-F454 HydrophobicContact CD2-CE1 3.95Å; L268-F454 HydrophobicContact CD2-CE2 4.28Å; L268-F454 HydrophobicContact CD2-CG 3.78Å; L268-F454 HydrophobicContact CD2-CZ 4.22Å; V271-F454 HydrophobicContact CG1-CE2 4.36Å; L358-F454 HydrophobicContact CB-CE2 4.19Å; L358-F454 HydrophobicContact CB-CZ 4.44Å; H362-F454 HydrophobicContact CB-CE1 4.21Å; H362-F454 HydrophobicContact CB-CZ 4.05Å; H362-F454 AromaticContact CD2-CE1 3.78Å; L446-F454 HydrophobicContact CD1-CD1 4.44Å; L446-F454 HydrophobicContact CD1-CE1 4.21Å; L446-F454 HydrophobicContact CD2-CE1 4.35Å; D451-F454 HydrophobicContact CB-CB 4.03Å; D451-F454 WeakPolarHBondContact O-CB 3.35Å; D451-F454 PolarHBondContact O-N 3.31Å; D451-F454 PolarHBondContact OD1-N 3.37Å; D451-F454 VanDerWaalsContact OD1-N 3.16Å; F454-F457 WeakPolarHBondContact O-CB 3.01Å; F454-F457 PolarHBondContact O-N 2.9Å; F454-V458 HydrophobicContact CD2-CG2 4.02Å; F454-V458 HydrophobicContact CE1-CG2 4.23Å; F454-V458 HydrophobicContact CE2-CG2 3.57Å; F454-V458 HydrophobicContact CZ-CG2 3.69Å; F454-V458 WeakPolarHBondContact O-CG2 3.35Å; F454-V458 PolarHBondContact O-N 3.16Å; F454-W480 HydrophobicContact CB-CG 4.41Å; F454-W480 HydrophobicContact CD2-CD2 4.06Å; F454-W480 AromaticContact CD2-CE2 3.48Å; F454-W480 VanDerWaalsContact CD2-CE2 3.48Å; F454-W480 HydrophobicContact CD2-CE3 4.42Å; F454-W480 AromaticContact CD2-CH2 3.79Å; F454-W480 HydrophobicContact CD2-CH2 3.79Å; F454-W480 AromaticContact CD2-CZ2 3.35Å; F454-W480 HydrophobicContact CD2-CZ2 3.35Å; F454-W480 HydrophobicContact CD2-CZ3 4.29Å; F454-W480 AromaticContact CD2-NE1 3.86Å; F454-W480 AromaticContact CE2-CH2 3.88Å; F454-W480 HydrophobicContact CE2-CH2 3.88Å; F454-W480 AromaticContact CE2-CZ2 3.78Å; F454-W480 HydrophobicContact CE2-CZ2 3.78Å; F454-W480 HydrophobicContact CG-CZ2 4.32Å
455	I	98.3	Very high	97.7	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-45.9	178.6	-63.6	168.4	0	0	0	110.4	W442 L446 D451 E452 V458 K459	W442-I455 HydrophobicContact CB-CG2 4.45Å; L446-I455 HydrophobicContact CD1-CG1 3.94Å; D451-I455 WeakPolarHBondContact O-CG1 3.42Å; D451-I455 PolarHBondContact O-N 2.78Å; E452-I455 PolarHBondContact O-N 2.89Å; I455-V458 PolarHBondContact O-N 3.16Å; I455-K459 HydrophobicContact CG2-CD 4.06Å; I455-K459 HydrophobicContact CG2-CG 4.49Å; I455-K459 WeakPolarHBondContact O-CB 3.37Å; I455-K459 VanDerWaalsContact O-CG 3.29Å; I455-K459 WeakPolarHBondContact O-CG 3.39Å; I455-K459 PolarHBondContact O-N 2.78Å
456	D	98.3	Very high	97.7	Very high	58 Å²	58	47.5 Å²	47.5	31%	0.31	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-47.2	174.8	-174.5	53.1	0	0	0	111.3	E452 V458 K459 R460 H478	E452-D456 WeakPolarHBondContact O-CB 3.25Å; E452-D456 PolarHBondContact O-N 3.44Å; D456-V458 PolarHBondContact O-N 2.84Å; D456-K459 PolarHBondContact O-N 3.01Å; D456-R460 WeakPolarHBondContact O-CG 3.31Å; D456-R460 PolarHBondContact O-N 3.4Å; D456-R460 IonicContact OD1-NE 2.81Å; D456-R460 PolarHBondContact OD1-NE 3.21Å; D456-R460 IonicContact OD1-NH2 3.27Å; D456-R460 IonicContact OD2-CZ 2.76Å; D456-R460 IonicContact OD2-NE 2.73Å; D456-R460 PolarHBondContact OD2-NE 3.2Å; D456-R460 IonicContact OD2-NH2 3.64Å; D456-R460 PolarHBondContact OD2-NH2 3.26Å; D456-R460 VanDerWaalsContact OD2-NH2 3.13Å; D456-H478 IonicContact OD2-CE1 3.73Å; D456-H478 IonicContact OD2-NE2 3.45Å; D456-H478 PolarHBondContact OD2-NE2 2.83Å
457	F	98.7	Very high	97.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-48.9	178.7	-174.6	-87.6	0	0	0	112.2	L279 F354 L358 N453 F454 R460 C461 M470 A475 H478 W480 I481	L279-F457 HydrophobicContact CD1-CZ 4.18Å; F354-F457 AromaticContact CE1-CE1 3.46Å; F354-F457 HydrophobicContact CE1-CE1 3.46Å; F354-F457 VanDerWaalsContact CE1-CE1 3.46Å; F354-F457 AromaticContact CE1-CZ 3.63Å; F354-F457 HydrophobicContact CE1-CZ 3.63Å; F354-F457 AromaticContact CZ-CE1 3.87Å; F354-F457 HydrophobicContact CZ-CE1 3.87Å; F354-F457 AromaticContact CZ-CZ 3.98Å; F354-F457 HydrophobicContact CZ-CZ 3.98Å; L358-F457 HydrophobicContact CD1-CD1 3.89Å; L358-F457 HydrophobicContact CD1-CE1 3.48Å; L358-F457 VanDerWaalsContact CD1-CE1 3.48Å; N453-F457 VanDerWaalsContact O-CB 3.25Å; N453-F457 WeakPolarHBondContact O-CB 3.39Å; N453-F457 PolarHBondContact O-N 3.5Å; F454-F457 WeakPolarHBondContact O-CB 3.01Å; F454-F457 PolarHBondContact O-N 2.9Å; F457-R460 PolarHBondContact O-N 3.09Å; F457-C461 PolarHBondContact O-N 3.47Å; F457-C461 VanDerWaalsContact O-N 3.12Å; F457-C461 PolarHBondContact O-SG 3.25Å; F457-M470 HydrophobicContact CD1-CE 4.23Å; F457-M470 HydrophobicContact CD2-CE 3.73Å; F457-M470 HydrophobicContact CD2-SD 4.36Å; F457-M470 HydrophobicContact CE1-CE 4.12Å; F457-M470 HydrophobicContact CE2-CE 3.65Å; F457-M470 HydrophobicContact CE2-SD 4.27Å; F457-M470 HydrophobicContact CG-CE 4.04Å; F457-M470 HydrophobicContact CZ-CE 3.85Å; F457-M470 WeakPolarHBondContact O-CE 3.23Å; F457-A475 HydrophobicContact CE2-CB 3.79Å; F457-A475 HydrophobicContact CZ-CB 3.82Å; F457-H478 HydrophobicContact CD2-CB 3.7Å; F457-H478 AromaticContact CD2-CG 3.51Å; F457-H478 AromaticContact CD2-ND1 3.49Å; F457-H478 WeakPolarHBondContact CD2-ND1 3.4Å; F457-H478 HydrophobicContact CE2-CB 3.89Å; F457-W480 HydrophobicContact CB-CB 4.26Å; F457-W480 HydrophobicContact CB-CD2 4.49Å; F457-W480 HydrophobicContact CB-CE3 4.14Å; F457-W480 AromaticContact CD1-CE3 3.69Å; F457-W480 HydrophobicContact CD1-CE3 3.69Å; F457-W480 AromaticContact CD1-CZ3 3.79Å; F457-W480 HydrophobicContact CD1-CZ3 3.79Å; F457-W480 HydrophobicContact CD2-CB 4.47Å; F457-W480 AromaticContact CD2-CE3 3.85Å; F457-W480 HydrophobicContact CD2-CE3 3.85Å; F457-W480 HydrophobicContact CE1-CE3 4Å; F457-W480 AromaticContact CE1-CZ3 3.81Å; F457-W480 HydrophobicContact CE1-CZ3 3.81Å; F457-W480 HydrophobicContact CE2-CE3 4.14Å; F457-W480 HydrophobicContact CG-CD2 4.41Å; F457-W480 AromaticContact CG-CE3 3.61Å; F457-W480 HydrophobicContact CG-CE3 3.61Å; F457-W480 HydrophobicContact CG-CZ3 4.2Å; F457-W480 HydrophobicContact CZ-CE3 4.2Å; F457-W480 HydrophobicContact CZ-CZ3 4.22Å; F457-I481 HydrophobicContact CD2-CG1 4.33Å; F457-I481 HydrophobicContact CE2-CD1 4.25Å; F457-I481 HydrophobicContact CE2-CG1 3.61Å; F457-I481 HydrophobicContact CZ-CD1 4.24Å; F457-I481 HydrophobicContact CZ-CG1 4.06Å
458	V	98.6	Very high	97.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-41.9	179.4	167.7	0	0	0	0	111.3	C359 W442 F454 I455 D456 R460 C461 L462	C359-V458 WeakPolarHBondContact SG-CG1 3.33Å; W442-V458 HydrophobicContact CH2-CG1 4.11Å; W442-V458 HydrophobicContact CZ3-CG1 3.69Å; F454-V458 HydrophobicContact CD2-CG2 4.02Å; F454-V458 HydrophobicContact CE1-CG2 4.23Å; F454-V458 HydrophobicContact CE2-CG2 3.57Å; F454-V458 HydrophobicContact CZ-CG2 3.69Å; F454-V458 WeakPolarHBondContact O-CG2 3.35Å; F454-V458 PolarHBondContact O-N 3.16Å; I455-V458 PolarHBondContact O-N 3.16Å; D456-V458 PolarHBondContact O-N 2.84Å; V458-R460 VanDerWaalsContact C-N 3.3Å; V458-R460 PolarHBondContact O-N 2.9Å; V458-C461 WeakPolarHBondContact O-CB 3.35Å; V458-C461 PolarHBondContact O-N 3.44Å; V458-C461 VanDerWaalsContact O-N 3.13Å; V458-L462 HydrophobicContact CG1-CD1 3.7Å; V458-L462 HydrophobicContact CG1-CG 4.34Å; V458-L462 WeakPolarHBondContact O-CB 3.41Å; V458-L462 WeakPolarHBondContact O-CG 2.89Å; V458-L462 PolarHBondContact O-N 3.1Å
459	K	98.6	Very high	97.8	Very high	92 Å²	92	51.5 Å²	51.5	40%	0.4	25%	0.25	S	S	.	.	H	α-helix	trans	-56.5	-45.4	175.6	-80.2	173.4	174.4	-179	0	111.4	W442 I455 D456 C461 L462 E463	W442-K459 HydrophobicContact CD2-CG 4.26Å; W442-K459 HydrophobicContact CH2-CG 3.96Å; W442-K459 HydrophobicContact CZ2-CB 4.5Å; W442-K459 HydrophobicContact CZ2-CD 4.49Å; W442-K459 HydrophobicContact CZ2-CG 3.48Å; W442-K459 VanDerWaalsContact CZ2-CG 3.48Å; I455-K459 HydrophobicContact CG2-CD 4.06Å; I455-K459 HydrophobicContact CG2-CG 4.49Å; I455-K459 WeakPolarHBondContact O-CB 3.37Å; I455-K459 VanDerWaalsContact O-CG 3.29Å; I455-K459 WeakPolarHBondContact O-CG 3.39Å; I455-K459 PolarHBondContact O-N 2.78Å; D456-K459 PolarHBondContact O-N 3.01Å; K459-C461 VanDerWaalsContact C-N 3.32Å; K459-C461 PolarHBondContact O-N 2.86Å; K459-L462 CarbonylContact O-C 3.34Å; K459-L462 PolarHBondContact O-N 3.19Å; K459-E463 PolarHBondContact O-N 3.42Å
460	R	98.7	Very high	97.9	Very high	125 Å²	125	51.3 Å²	51.3	47%	0.472	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-29.9	177.3	-67.2	174.8	-173.9	-112.5	2.8	113.6	D456 F457 V458 M470	D456-R460 WeakPolarHBondContact O-CG 3.31Å; D456-R460 PolarHBondContact O-N 3.4Å; D456-R460 IonicContact OD1-NE 2.81Å; D456-R460 PolarHBondContact OD1-NE 3.21Å; D456-R460 IonicContact OD1-NH2 3.27Å; D456-R460 IonicContact OD2-CZ 2.76Å; D456-R460 IonicContact OD2-NE 2.73Å; D456-R460 PolarHBondContact OD2-NE 3.2Å; D456-R460 IonicContact OD2-NH2 3.64Å; D456-R460 PolarHBondContact OD2-NH2 3.26Å; D456-R460 VanDerWaalsContact OD2-NH2 3.13Å; F457-R460 PolarHBondContact O-N 3.09Å; V458-R460 VanDerWaalsContact C-N 3.3Å; V458-R460 PolarHBondContact O-N 2.9Å; R460-M470 HydrophobicContact CB-CB 3.89Å; R460-M470 HydrophobicContact CB-CE 3.94Å; R460-M470 HydrophobicContact CB-SD 4.14Å; R460-M470 PolarHBondContact O-N 3.36Å
461	C	98.8	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.9	-30	170.4	-70.2	0	0	0	0	112.6	F457 V458 K459 R469 M470	F457-C461 PolarHBondContact O-N 3.47Å; F457-C461 VanDerWaalsContact O-N 3.12Å; F457-C461 PolarHBondContact O-SG 3.25Å; V458-C461 WeakPolarHBondContact O-CB 3.35Å; V458-C461 PolarHBondContact O-N 3.44Å; V458-C461 VanDerWaalsContact O-N 3.13Å; K459-C461 VanDerWaalsContact C-N 3.32Å; K459-C461 PolarHBondContact O-N 2.86Å; C461-R469 WeakPolarHBondContact O-CD 3.37Å; C461-R469 VanDerWaalsContact O-CG 3.31Å; C461-R469 WeakPolarHBondContact O-CG 3.42Å; C461-M470 WeakPolarHBondContact SG-CE 3.38Å
462	L	98.8	Very high	98.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	26.6	-174.8	-61.2	178.7	0	0	0	112.5	W352 L367 F368 L384 W442 V458 K459	W352-L462 HydrophobicContact CD2-CD2 3.76Å; W352-L462 HydrophobicContact CE3-CB 4.4Å; W352-L462 HydrophobicContact CE3-CD2 3.9Å; W352-L462 HydrophobicContact CG-CD2 4.21Å; W352-L462 HydrophobicContact CH2-CD2 4.44Å; W352-L462 HydrophobicContact CZ2-CD2 4.32Å; W352-L462 HydrophobicContact CZ3-CB 4.17Å; W352-L462 HydrophobicContact CZ3-CD2 4.24Å; W352-L462 WeakPolarHBondContact CZ3-O 3.32Å; L367-L462 HydrophobicContact CD2-CD1 3.44Å; L367-L462 VanDerWaalsContact CD2-CD1 3.44Å; F368-L462 HydrophobicContact CE2-CD1 4.35Å; L384-L462 HydrophobicContact CD1-CB 4.42Å; L384-L462 VanDerWaalsContact CD1-O 3.25Å; L384-L462 WeakPolarHBondContact CD1-O 3.13Å; W442-L462 HydrophobicContact CH2-CD1 3.95Å; W442-L462 HydrophobicContact CZ3-CD1 4.38Å; V458-L462 HydrophobicContact CG1-CD1 3.7Å; V458-L462 HydrophobicContact CG1-CG 4.34Å; V458-L462 WeakPolarHBondContact O-CB 3.41Å; V458-L462 WeakPolarHBondContact O-CG 2.89Å; V458-L462 PolarHBondContact O-N 3.1Å; K459-L462 CarbonylContact O-C 3.34Å; K459-L462 PolarHBondContact O-N 3.19Å
463	E	98.6	Very high	98.2	Very high	74 Å²	74	40.1 Å²	40.1	35%	0.346	20%	0.199	S	C	.	.			trans	-65.3	140	174	-174.3	48.1	-116.6	0	0	111.1	K459 E468 R469	K459-E463 PolarHBondContact O-N 3.42Å; E463-E468 HydrophobicContact CG-CB 3.86Å; E463-R469 HydrophobicContact CB-CB 4.11Å; E463-R469 HydrophobicContact CB-CG 4.31Å; E463-R469 PolarHBondContact O-NE 3.35Å; E463-R469 PolarHBondContact O-NH2 2.81Å
464	W	98.4	Very high	98.2	Very high	13 Å²	13	42.5 Å²	42.5	5%	0.049	21%	0.208	C	C	.	.	S	Bend	trans	-66.9	-49.1	-177.6	-84.6	108.5	0	0	0	111.7	P337 M377 V380 M381 L384 G385 P387 P388 L391 P466	P337-W464 HydrophobicContact CB-CE3 3.7Å; P337-W464 HydrophobicContact CB-CZ3 3.46Å; P337-W464 VanDerWaalsContact CB-CZ3 3.46Å; P337-W464 HydrophobicContact CG-CE3 3.88Å; P337-W464 HydrophobicContact CG-CZ3 4.13Å; M377-W464 HydrophobicContact SD-CH2 3.76Å; M377-W464 HydrophobicContact SD-CZ3 3.91Å; V380-W464 HydrophobicContact CB-CH2 4.26Å; V380-W464 HydrophobicContact CG1-CH2 3.43Å; V380-W464 VanDerWaalsContact CG1-CH2 3.43Å; V380-W464 HydrophobicContact CG1-CZ2 3.59Å; V380-W464 HydrophobicContact CG1-CZ3 4.05Å; M381-W464 HydrophobicContact CG-CH2 3.99Å; M381-W464 HydrophobicContact CG-CZ2 4.1Å; L384-W464 HydrophobicContact CB-CZ2 4.22Å; G385-W464 VanDerWaalsContact O-CZ2 3.23Å; G385-W464 WeakPolarHBondContact O-CZ2 3.5Å; P387-W464 HydrophobicContact CB-CD2 4.07Å; P387-W464 HydrophobicContact CB-CE3 3.75Å; P387-W464 HydrophobicContact CB-CH2 4.07Å; P387-W464 HydrophobicContact CB-CZ2 4.36Å; P387-W464 HydrophobicContact CB-CZ3 3.75Å; P387-W464 HydrophobicContact CG-CH2 4.33Å; P387-W464 HydrophobicContact CG-CZ3 4.37Å; P388-W464 HydrophobicContact CG-CB 4.09Å; L391-W464 HydrophobicContact CD2-CB 4.23Å; L391-W464 HydrophobicContact CD2-CE3 3.89Å; L391-W464 WeakPolarHBondContact CD2-O 3.42Å; W464-P466 VanDerWaalsContact O-CD 3.29Å; W464-P466 WeakPolarHBondContact O-CD 3.41Å
465	D	97.3	Very high	98.2	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.064	21%	0.208	C	C	.	.	S	Bend	trans	-76.6	114.1	178.2	-163.6	-17.3	0	0	0	108.8	K390 D467 E468 R469	K390-D465 IonicContact NZ-OD2 3.81Å; K390-D465 PolarHBondContact NZ-OD2 2.8Å; D465-D467 PolarHBondContact O-N 3.22Å; D465-D467 VanDerWaalsContact O-N 3.13Å; D465-D467 WeakPolarHBondContact OD1-CB 3.35Å; D465-D467 PolarHBondContact OD1-N 2.9Å; D465-E468 HydrophobicContact CB-CB 4.25Å; D465-E468 HydrophobicContact CB-CG 4.01Å; D465-E468 PolarHBondContact O-N 3.35Å; D465-R469 PolarHBondContact O-N 3.4Å; D465-R469 VanDerWaalsContact O-N 3.1Å
466	P	97.7	Very high	98.2	Very high	25 Å²	25	43.5 Å²	43.5	16%	0.162	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.8	178.4	25.4	-35.4	0	0	0	113.2	E338 A348 W464 E468	E338-P466 HydrophobicContact CG-CG 4.48Å; A348-P466 HydrophobicContact CB-CB 3.7Å; W464-P466 VanDerWaalsContact O-CD 3.29Å; W464-P466 WeakPolarHBondContact O-CD 3.41Å; P466-E468 VanDerWaalsContact C-N 3.34Å
467	D	96.3	Very high	98.1	Very high	113 Å²	113	48 Å²	48	60%	0.604	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-27.5	177.2	-61.3	-31.4	0	0	0	111.8	K394 D465	K394-D467 IonicContact NZ-OD2 2.74Å; K394-D467 PolarHBondContact NZ-OD2 2.98Å; K394-D467 VanDerWaalsContact NZ-OD2 3.14Å; D465-D467 PolarHBondContact O-N 3.22Å; D465-D467 VanDerWaalsContact O-N 3.13Å; D465-D467 WeakPolarHBondContact OD1-CB 3.35Å; D465-D467 PolarHBondContact OD1-N 2.9Å
468	E	97.4	Very high	98.1	Very high	135 Å²	135	48.8 Å²	48.8	63%	0.631	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-13.2	178.6	-59.4	-60.6	151.1	0	0	112.6	E463 D465 P466 M470	E463-E468 HydrophobicContact CG-CB 3.86Å; D465-E468 HydrophobicContact CB-CB 4.25Å; D465-E468 HydrophobicContact CB-CG 4.01Å; D465-E468 PolarHBondContact O-N 3.35Å; P466-E468 VanDerWaalsContact C-N 3.34Å; E468-M470 PolarHBondContact O-N 3.12Å
469	R	98.5	Very high	98	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.026	25%	0.254	C	S	.	.	S	Bend	trans	-64.7	134.3	-179	-167.3	-179.6	-63.9	147.4	8.1	110.9	E338 A348 M351 C461 E463 D465 T471	E338-R469 IonicContact OE1-CZ 3.14Å; E338-R469 IonicContact OE1-NH1 2.63Å; E338-R469 PolarHBondContact OE1-NH1 2.8Å; E338-R469 IonicContact OE1-NH2 3.28Å; E338-R469 PolarHBondContact OE1-NH2 2.99Å; E338-R469 IonicContact OE2-CZ 3.09Å; E338-R469 IonicContact OE2-NH1 3.66Å; E338-R469 PolarHBondContact OE2-NH1 2.78Å; E338-R469 IonicContact OE2-NH2 3.8Å; E338-R469 PolarHBondContact OE2-NH2 3.04Å; A348-R469 VanDerWaalsContact C-NH1 3.31Å; A348-R469 WeakPolarHBondContact O-CD 3.46Å; A348-R469 PolarHBondContact O-NH1 3.03Å; M351-R469 HydrophobicContact CB-CG 4.47Å; C461-R469 WeakPolarHBondContact O-CD 3.37Å; C461-R469 VanDerWaalsContact O-CG 3.31Å; C461-R469 WeakPolarHBondContact O-CG 3.42Å; E463-R469 HydrophobicContact CB-CB 4.11Å; E463-R469 HydrophobicContact CB-CG 4.31Å; E463-R469 PolarHBondContact O-NE 3.35Å; E463-R469 PolarHBondContact O-NH2 2.81Å; D465-R469 PolarHBondContact O-N 3.4Å; D465-R469 VanDerWaalsContact O-N 3.1Å; R469-T471 PolarHBondContact O-N 2.98Å
470	M	98.6	Very high	98	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.049	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-55.8	129.7	-178.6	178	171.3	59.5	0	0	111.8	M351 F457 R460 C461 E468 Q474 A475	M351-M470 HydrophobicContact CE-CE 4.42Å; M351-M470 HydrophobicContact CE-CG 4.48Å; M351-M470 WeakPolarHBondContact CE-O 3.33Å; M351-M470 VanDerWaalsContact CG-O 3.28Å; M351-M470 WeakPolarHBondContact CG-O 3.15Å; F457-M470 HydrophobicContact CD1-CE 4.23Å; F457-M470 HydrophobicContact CD2-CE 3.73Å; F457-M470 HydrophobicContact CD2-SD 4.36Å; F457-M470 HydrophobicContact CE1-CE 4.12Å; F457-M470 HydrophobicContact CE2-CE 3.65Å; F457-M470 HydrophobicContact CE2-SD 4.27Å; F457-M470 HydrophobicContact CG-CE 4.04Å; F457-M470 HydrophobicContact CZ-CE 3.85Å; F457-M470 WeakPolarHBondContact O-CE 3.23Å; R460-M470 HydrophobicContact CB-CB 3.89Å; R460-M470 HydrophobicContact CB-CE 3.94Å; R460-M470 HydrophobicContact CB-SD 4.14Å; R460-M470 PolarHBondContact O-N 3.36Å; C461-M470 WeakPolarHBondContact SG-CE 3.38Å; E468-M470 PolarHBondContact O-N 3.12Å; M470-Q474 HydrophobicContact CG-CB 3.78Å; M470-A475 HydrophobicContact CE-CB 3.9Å; M470-A475 HydrophobicContact CG-CB 3.98Å; M470-A475 VanDerWaalsContact SD-CA 3.54Å; M470-A475 HydrophobicContact SD-CB 3.8Å
471	T	98.7	Very high	97.9	Very high	45 Å²	45	42.3 Å²	42.3	28%	0.276	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-81.7	159.9	175.6	61.8	0	0	0	0	111.8	R469 S473 Q474 A475	R469-T471 PolarHBondContact O-N 2.98Å; T471-S473 VanDerWaalsContact C-N 3.31Å; T471-S473 PolarHBondContact O-N 3.16Å; T471-Q474 PolarHBondContact O-N 3.05Å; T471-Q474 VanDerWaalsContact O-N 3.1Å; T471-Q474 VanDerWaalsContact OG1-CD 3.26Å; T471-Q474 VanDerWaalsContact OG1-CG 3.31Å; T471-Q474 WeakPolarHBondContact OG1-CG 3.41Å; T471-Q474 PolarHBondContact OG1-N 3.49Å; T471-Q474 PolarHBondContact OG1-OE1 3.17Å; T471-A475 WeakPolarHBondContact O-CB 3.29Å; T471-A475 PolarHBondContact O-N 3.08Å
472	P	98.4	Very high	97.6	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.071	25%	0.25	C	S	.	.	H	α-helix	trans	-51.4	-45.2	174.5	-28.9	34.3	0	0	0	114	L279 L282 E283 Q286 M351 Q474 A475 L476	L279-P472 HydrophobicContact CD2-CB 4.43Å; L282-P472 HydrophobicContact CB-CB 4Å; L282-P472 HydrophobicContact CB-CG 3.64Å; E283-P472 HydrophobicContact CB-CB 4.19Å; Q286-P472 HydrophobicContact CB-CG 4.46Å; Q286-P472 VanDerWaalsContact OE1-CD 3.32Å; M351-P472 HydrophobicContact CG-CG 4.23Å; M351-P472 HydrophobicContact SD-CB 4.45Å; M351-P472 HydrophobicContact SD-CG 3.76Å; P472-Q474 PolarHBondContact O-N 3.01Å; P472-A475 WeakPolarHBondContact O-CB 3.25Å; P472-A475 PolarHBondContact O-N 3.3Å; P472-L476 PolarHBondContact O-N 2.87Å
473	S	97.6	Very high	96.7	Very high	38 Å²	38	56.4 Å²	56.4	27%	0.266	27%	0.273	S	S	.	.	H	α-helix	trans	-66.3	-33.4	178.5	-59.6	0	0	0	0	113.6	T471 K477	T471-S473 VanDerWaalsContact C-N 3.31Å; T471-S473 PolarHBondContact O-N 3.16Å; S473-K477 WeakPolarHBondContact O-CD 3.22Å; S473-K477 WeakPolarHBondContact O-CG 3.49Å
474	Q	98.2	Very high	94.9	Very high	107 Å²	107	61.8 Å²	61.8	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-70.8	-41.1	172.2	-73.9	163.3	-33.6	0	0	110.9	M470 T471 P472 L476 K477 H478	M470-Q474 HydrophobicContact CG-CB 3.78Å; T471-Q474 PolarHBondContact O-N 3.05Å; T471-Q474 VanDerWaalsContact O-N 3.1Å; T471-Q474 VanDerWaalsContact OG1-CD 3.26Å; T471-Q474 VanDerWaalsContact OG1-CG 3.31Å; T471-Q474 WeakPolarHBondContact OG1-CG 3.41Å; T471-Q474 PolarHBondContact OG1-N 3.49Å; T471-Q474 PolarHBondContact OG1-OE1 3.17Å; P472-Q474 PolarHBondContact O-N 3.01Å; Q474-L476 PolarHBondContact O-N 3.42Å; Q474-K477 PolarHBondContact O-N 3.2Å; Q474-K477 VanDerWaalsContact O-N 3.08Å; Q474-H478 PolarHBondContact O-N 3.31Å; Q474-H478 VanDerWaalsContact O-N 3.16Å
475	A	98.5	Very high	92.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-43.4	178.9	0	0	0	0	0	112.6	L279 M351 F457 M470 T471 P472 K477 H478 I481	L279-A475 HydrophobicContact CD1-CB 3.88Å; L279-A475 HydrophobicContact CD2-CB 3.52Å; L279-A475 HydrophobicContact CG-CB 4.37Å; M351-A475 HydrophobicContact CE-CB 3.9Å; F457-A475 HydrophobicContact CE2-CB 3.79Å; F457-A475 HydrophobicContact CZ-CB 3.82Å; M470-A475 HydrophobicContact CE-CB 3.9Å; M470-A475 HydrophobicContact CG-CB 3.98Å; M470-A475 VanDerWaalsContact SD-CA 3.54Å; M470-A475 HydrophobicContact SD-CB 3.8Å; T471-A475 WeakPolarHBondContact O-CB 3.29Å; T471-A475 PolarHBondContact O-N 3.08Å; P472-A475 WeakPolarHBondContact O-CB 3.25Å; P472-A475 PolarHBondContact O-N 3.3Å; A475-K477 PolarHBondContact O-N 2.98Å; A475-K477 VanDerWaalsContact O-N 3.17Å; A475-H478 VanDerWaalsContact O-CB 3.23Å; A475-H478 WeakPolarHBondContact O-CB 3.23Å; A475-H478 PolarHBondContact O-N 3.35Å; A475-I481 WeakPolarHBondContact O-CG1 3.48Å
476	L	97.1	Very high	90.1	Very high	45 Å²	45	69.4 Å²	69.4	24%	0.236	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-25.1	174.7	-75.1	168.6	0	0	0	113.1	L279 E283 P472 Q474	L279-L476 HydrophobicContact CB-CD2 3.69Å; L279-L476 HydrophobicContact CB-CG 3.96Å; L279-L476 HydrophobicContact CD1-CD2 4.02Å; L279-L476 HydrophobicContact CD1-CG 4.24Å; E283-L476 HydrophobicContact CB-CD1 4.27Å; E283-L476 HydrophobicContact CG-CD1 4.41Å; E283-L476 WeakPolarHBondContact OE1-CD1 3.34Å; P472-L476 PolarHBondContact O-N 2.87Å; Q474-L476 PolarHBondContact O-N 3.42Å
477	K	97.2	Very high	87.6	Confident	153 Å²	153	76.1 Å²	76.1	67%	0.665	37%	0.37	S	S	*	.	H	α-helix	trans	-91.4	-9.8	178.4	-65.4	172.6	-173.9	177.6	0	113.4	S473 Q474 A475 R482	S473-K477 WeakPolarHBondContact O-CD 3.22Å; S473-K477 WeakPolarHBondContact O-CG 3.49Å; Q474-K477 PolarHBondContact O-N 3.2Å; Q474-K477 VanDerWaalsContact O-N 3.08Å; A475-K477 PolarHBondContact O-N 2.98Å; A475-K477 VanDerWaalsContact O-N 3.17Å; K477-R482 WeakPolarHBondContact O-CD 3.49Å
478	H	98.2	Very high	84.7	Confident	17 Å²	17	74.2 Å²	74.2	8%	0.079	37%	0.365	C	S	.	.	S	Bend	trans	-65	146.4	-176.1	-166.6	-88.2	0	0	0	112.4	N453 D456 F457 Q474 A475 W480 I481 R482	N453-H478 PolarHBondContact O-CE1 2.93Å; D456-H478 IonicContact OD2-CE1 3.73Å; D456-H478 IonicContact OD2-NE2 3.45Å; D456-H478 PolarHBondContact OD2-NE2 2.83Å; F457-H478 HydrophobicContact CD2-CB 3.7Å; F457-H478 AromaticContact CD2-CG 3.51Å; F457-H478 AromaticContact CD2-ND1 3.49Å; F457-H478 WeakPolarHBondContact CD2-ND1 3.4Å; F457-H478 HydrophobicContact CE2-CB 3.89Å; Q474-H478 PolarHBondContact O-N 3.31Å; Q474-H478 VanDerWaalsContact O-N 3.16Å; A475-H478 VanDerWaalsContact O-CB 3.23Å; A475-H478 WeakPolarHBondContact O-CB 3.23Å; A475-H478 PolarHBondContact O-N 3.35Å; H478-W480 VanDerWaalsContact C-N 3.3Å; H478-W480 PolarHBondContact ND1-N 3.34Å; H478-W480 VanDerWaalsContact ND1-N 3.2Å; H478-W480 PolarHBondContact O-N 3.05Å; H478-I481 PolarHBondContact O-N 2.6Å; H478-R482 PolarHBondContact O-N 3.03Å
479	C	96.6	Very high	81.7	Confident	62 Å²	62	73 Å²	73	42%	0.419	37%	0.367	S	S	.	.	H	α-helix	trans	-56	-41.2	-177.1	55.9	0	0	0	0	112.9	N453 I481 R482 K483	N453-C479 PolarHBondContact OD1-SG 3.26Å; C479-I481 VanDerWaalsContact C-N 3.3Å; C479-I481 PolarHBondContact O-N 3Å; C479-R482 PolarHBondContact O-N 3.16Å; C479-K483 WeakPolarHBondContact O-CB 3.47Å; C479-K483 PolarHBondContact O-N 3.07Å
480	W	97.6	Very high	78.8	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-58.9	-37.1	176.9	-177.6	69.9	0	0	0	113.5	V271 R272 A275 L358 N453 F454 F457 H478	V271-W480 HydrophobicContact CG1-CH2 4.13Å; V271-W480 HydrophobicContact CG1-CZ2 4.34Å; R272-W480 HydrophobicContact CB-CH2 4.19Å; R272-W480 HydrophobicContact CB-CZ2 3.91Å; R272-W480 VanDerWaalsContact CD-O 3.22Å; R272-W480 WeakPolarHBondContact CD-O 3.19Å; R272-W480 HydrophobicContact CG-CZ2 4.42Å; R272-W480 PolarHBondContact NE-O 3.24Å; A275-W480 HydrophobicContact CB-CH2 3.84Å; A275-W480 HydrophobicContact CB-CZ3 3.7Å; L358-W480 HydrophobicContact CD1-CH2 4.04Å; L358-W480 HydrophobicContact CD1-CZ3 3.84Å; N453-W480 HydrophobicContact CB-CB 3.88Å; N453-W480 HydrophobicContact CB-CG 4.45Å; F454-W480 HydrophobicContact CB-CG 4.41Å; F454-W480 HydrophobicContact CD2-CD2 4.06Å; F454-W480 AromaticContact CD2-CE2 3.48Å; F454-W480 VanDerWaalsContact CD2-CE2 3.48Å; F454-W480 HydrophobicContact CD2-CE3 4.42Å; F454-W480 AromaticContact CD2-CH2 3.79Å; F454-W480 HydrophobicContact CD2-CH2 3.79Å; F454-W480 AromaticContact CD2-CZ2 3.35Å; F454-W480 HydrophobicContact CD2-CZ2 3.35Å; F454-W480 HydrophobicContact CD2-CZ3 4.29Å; F454-W480 AromaticContact CD2-NE1 3.86Å; F454-W480 AromaticContact CE2-CH2 3.88Å; F454-W480 HydrophobicContact CE2-CH2 3.88Å; F454-W480 AromaticContact CE2-CZ2 3.78Å; F454-W480 HydrophobicContact CE2-CZ2 3.78Å; F454-W480 HydrophobicContact CG-CZ2 4.32Å; F457-W480 HydrophobicContact CB-CB 4.26Å; F457-W480 HydrophobicContact CB-CD2 4.49Å; F457-W480 HydrophobicContact CB-CE3 4.14Å; F457-W480 AromaticContact CD1-CE3 3.69Å; F457-W480 HydrophobicContact CD1-CE3 3.69Å; F457-W480 AromaticContact CD1-CZ3 3.79Å; F457-W480 HydrophobicContact CD1-CZ3 3.79Å; F457-W480 HydrophobicContact CD2-CB 4.47Å; F457-W480 AromaticContact CD2-CE3 3.85Å; F457-W480 HydrophobicContact CD2-CE3 3.85Å; F457-W480 HydrophobicContact CE1-CE3 4Å; F457-W480 AromaticContact CE1-CZ3 3.81Å; F457-W480 HydrophobicContact CE1-CZ3 3.81Å; F457-W480 HydrophobicContact CE2-CE3 4.14Å; F457-W480 HydrophobicContact CG-CD2 4.41Å; F457-W480 AromaticContact CG-CE3 3.61Å; F457-W480 HydrophobicContact CG-CE3 3.61Å; F457-W480 HydrophobicContact CG-CZ3 4.2Å; F457-W480 HydrophobicContact CZ-CE3 4.2Å; F457-W480 HydrophobicContact CZ-CZ3 4.22Å; H478-W480 VanDerWaalsContact C-N 3.3Å; H478-W480 PolarHBondContact ND1-N 3.34Å; H478-W480 VanDerWaalsContact ND1-N 3.2Å; H478-W480 PolarHBondContact O-N 3.05Å
481	I	97.3	Very high	76	Confident	19 Å²	19	80 Å²	80	10%	0.097	42%	0.417	C	S	.	.	H	α-helix	trans	-78	-43.6	177	-66.3	-64.3	0	0	0	110.8	R272 A275 L279 F457 A475 H478 C479 K483	R272-I481 HydrophobicContact CG-CD1 4.26Å; A275-I481 HydrophobicContact CB-CD1 3.87Å; L279-I481 HydrophobicContact CD1-CD1 4.02Å; L279-I481 HydrophobicContact CD1-CG1 4.14Å; F457-I481 HydrophobicContact CD2-CG1 4.33Å; F457-I481 HydrophobicContact CE2-CD1 4.25Å; F457-I481 HydrophobicContact CE2-CG1 3.61Å; F457-I481 HydrophobicContact CZ-CD1 4.24Å; F457-I481 HydrophobicContact CZ-CG1 4.06Å; A475-I481 WeakPolarHBondContact O-CG1 3.48Å; H478-I481 PolarHBondContact O-N 2.6Å; C479-I481 VanDerWaalsContact C-N 3.3Å; C479-I481 PolarHBondContact O-N 3Å; I481-K483 VanDerWaalsContact C-N 3.29Å; I481-K483 PolarHBondContact O-N 3.44Å
482	R	91.7	Very high	73	Confident	186 Å²	186	83.8 Å²	83.8	70%	0.702	44%	0.436	S	S	*	.	H	α-helix	trans	-73.4	-14	-177.1	-69.5	-173.5	68.7	-172.5	1.5	114.6	K477 H478 C479 K484	K477-R482 WeakPolarHBondContact O-CD 3.49Å; H478-R482 PolarHBondContact O-N 3.03Å; C479-R482 PolarHBondContact O-N 3.16Å; R482-K484 PolarHBondContact O-N 3.15Å
483	K	80.8	Confident	70.2	Confident	112 Å²	112	86 Å²	86	49%	0.487	45%	0.451	S	S	.	.			trans	-57.9	108.6	-179.2	-164.8	170.2	-175.8	174.4	0	109.8	C479 I481 N485	C479-K483 WeakPolarHBondContact O-CB 3.47Å; C479-K483 PolarHBondContact O-N 3.07Å; I481-K483 VanDerWaalsContact C-N 3.29Å; I481-K483 PolarHBondContact O-N 3.44Å; K483-N485 PolarHBondContact O-N 3.13Å
484	K	60.8	Low	67.6	Low	188 Å²	188	87 Å²	87	82%	0.817	46%	0.462	S	S	*	.			trans	-61.3	129.3	172.9	-67.1	-175.1	178	-177.9	0	108	R482 V486	R482-K484 PolarHBondContact O-N 3.15Å; K484-V486 WeakPolarHBondContact O-CG2 3.39Å; K484-V486 PolarHBondContact O-N 3.43Å
485	N	53.8	Low	64.8	Low	72 Å²	72	84.3 Å²	84.3	39%	0.385	46%	0.458	S	S	.	.			trans	-64.2	103.6	173.1	-80.8	-24.1	0	0	0	108.3	R272 K483 H487	R272-N485 PolarHBondContact NH1-OD1 2.98Å; R272-N485 VanDerWaalsContact NH1-OD1 3.07Å; K483-N485 PolarHBondContact O-N 3.13Å; N485-H487 PolarHBondContact O-N 3.09Å; N485-H487 VanDerWaalsContact O-N 3.09Å
486	V	41.4	Very low	62.2	Low	113 Å²	113	87.4 Å²	87.4	69%	0.685	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.3	179.8	-170.3	0	0	0	0	112	K484	K484-V486 WeakPolarHBondContact O-CG2 3.39Å; K484-V486 PolarHBondContact O-N 3.43Å
487	H	45.1	Very low	59.7	Low	165 Å²	165	92.6 Å²	92.6	76%	0.764	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	2.4	-175.1	-68.6	-61.2	0	0	0	116.8	N485	N485-H487 PolarHBondContact O-N 3.09Å; N485-H487 VanDerWaalsContact O-N 3.09Å
488	S	34.7	Very low	57.2	Low	74 Å²	74	89.2 Å²	89.2	52%	0.517	50%	0.5	S	S	.	.	H	α-helix	trans	-81.9	-18.7	174.5	74.3	0	0	0	0	113.9
489	V	34.8	Very low	54.6	Low	110 Å²	110	95.4 Å²	95.4	67%	0.667	53%	0.531	S	S	*	.	H	α-helix	trans	-80.8	-20.8	-174.6	-167.8	0	0	0	0	112.7
490	V	38.2	Very low	52.1	Low	99 Å²	99	99.4 Å²	99.4	60%	0.6	55%	0.548	S	S	*	.	H	α-helix	trans	-87.5	-26.1	-176.2	-171.5	0	0	0	0	112.5	A494	V490-A494 PolarHBondContact O-N 2.97Å
491	A	38.4	Very low	49.5	Very low	64 Å²	64	108.3 Å²	108.3	53%	0.529	59%	0.587	S	S	.	*	H	α-helix	trans	-73.3	-38.9	178.3	0	0	0	0	0	112.4	S493 A494 A495	A491-S493 VanDerWaalsContact C-N 3.34Å; A491-A494 PolarHBondContact O-N 3.01Å; A491-A495 PolarHBondContact O-N 3.09Å; A491-A495 VanDerWaalsContact O-N 3.16Å
492	D	36.6	Very low	46.7	Very low	125 Å²	125	111.2 Å²	111.2	67%	0.668	61%	0.614	S	S	*	*	H	α-helix	trans	-71.1	-31.5	177.1	-66.1	-21.4	0	0	0	111.7	A496	D492-A496 WeakPolarHBondContact O-CB 3.46Å; D492-A496 PolarHBondContact O-N 2.98Å
493	S	40.1	Very low	44.1	Very low	56 Å²	56	109.9 Å²	109.9	39%	0.392	62%	0.62	S	S	.	*	H	α-helix	trans	-70.8	-28.3	173.6	165	0	0	0	0	113.8	A491 K497	A491-S493 VanDerWaalsContact C-N 3.34Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å
494	A	41.6	Very low	42.1	Very low	60 Å²	60	112.6 Å²	112.6	50%	0.496	64%	0.635	S	S	.	*	H	α-helix	trans	-85	-36.5	-178.5	0	0	0	0	0	111.7	V490 A491 K497 S498	V490-A494 PolarHBondContact O-N 2.97Å; A491-A494 PolarHBondContact O-N 3.01Å; A494-K497 PolarHBondContact O-N 2.95Å; A494-S498 PolarHBondContact O-N 3.38Å; A494-S498 PolarHBondContact O-OG 2.96Å
495	A	40.9	Very low	40.8	Very low	50 Å²	50	115.2 Å²	115.2	41%	0.413	64%	0.64	S	S	.	*	H	α-helix	trans	-67.1	-37.8	174	0	0	0	0	0	112.3	A491 K497 S498 M499	A491-A495 PolarHBondContact O-N 3.09Å; A491-A495 VanDerWaalsContact O-N 3.16Å; A495-K497 VanDerWaalsContact C-N 3.31Å; A495-K497 PolarHBondContact O-N 3.21Å; A495-S498 PolarHBondContact O-N 3.26Å; A495-S498 PolarHBondContact O-OG 3.16Å; A495-S498 VanDerWaalsContact O-OG 3.05Å; A495-M499 PolarHBondContact O-N 3.35Å
496	A	43.7	Very low	39.7	Very low	65 Å²	65	118.8 Å²	118.8	54%	0.537	66%	0.664	S	S	.	*	H	α-helix	trans	-66.2	-30.3	174.9	0	0	0	0	0	113.1	D492	D492-A496 WeakPolarHBondContact O-CB 3.46Å; D492-A496 PolarHBondContact O-N 2.98Å
497	K	44.8	Very low	39.3	Very low	154 Å²	154	119.8 Å²	119.8	67%	0.67	67%	0.671	S	S	*	*	H	α-helix	trans	-84.8	-16.7	179	-75.5	178.9	178.8	176.6	0	114.2	S493 A494 A495	S493-K497 WeakPolarHBondContact O-CG 3.41Å; A494-K497 PolarHBondContact O-N 2.95Å; A495-K497 VanDerWaalsContact C-N 3.31Å; A495-K497 PolarHBondContact O-N 3.21Å
498	S	44.8	Very low	38.7	Very low	82 Å²	82	117.5 Å²	117.5	57%	0.573	67%	0.668	S	S	*	*	H	α-helix	trans	-88	-21.7	176.4	57.1	0	0	0	0	113.8	A494 A495	A494-S498 PolarHBondContact O-N 3.38Å; A494-S498 PolarHBondContact O-OG 2.96Å; A495-S498 PolarHBondContact O-N 3.26Å; A495-S498 PolarHBondContact O-OG 3.16Å; A495-S498 VanDerWaalsContact O-OG 3.05Å
499	M	43.5	Very low	38.8	Very low	147 Å²	147	124.9 Å²	124.9	72%	0.724	69%	0.685	S	S	*	*	H	α-helix	trans	-79.1	-26.6	177.3	-79.5	161.4	59.6	0	0	112.9	A495 K501	A495-M499 PolarHBondContact O-N 3.35Å; M499-K501 VanDerWaalsContact C-N 3.28Å; M499-K501 PolarHBondContact O-N 3.42Å
500	D	43.6	Very low	38.6	Very low	147 Å²	147	128.4 Å²	128.4	79%	0.786	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-6	-179.4	-120.4	-3.1	0	0	0	114.6
501	K	43.8	Very low	38.5	Very low	186 Å²	186	129.8 Å²	129.8	81%	0.809	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.2	-1.5	-178.4	-78.7	-169.5	175.8	-176.7	0	114.7	M499	M499-K501 VanDerWaalsContact C-N 3.28Å; M499-K501 PolarHBondContact O-N 3.42Å
502	A	37.6	Very low	38.3	Very low	81 Å²	81	130 Å²	130	67%	0.669	71%	0.71	S	S	*	*	S	Bend	trans	-96.9	-10	-176.8	0	0	0	0	0	114.2
503	D	36.6	Very low	38.3	Very low	157 Å²	157	131.5 Å²	131.5	84%	0.84	71%	0.713	S	S	*	*	S	Bend	trans	-94.3	13.8	-174.3	-106.8	-10.9	0	0	0	115
504	Q	38.4	Very low	38.2	Very low	170 Å²	170	137.7 Å²	137.7	79%	0.794	73%	0.733	S	S	*	*	S	Bend	trans	-138.8	79.7	178.4	-67	-179.4	16.6	0	0	110.8
505	R	33.3	Very low	37.8	Very low	243 Å²	243	138 Å²	138	92%	0.917	74%	0.743	S	S	*	*			trans	169.4	91.6	150.6	-94.1	154.9	-169.5	-159.7	3.3	111.4
506	T	30.8	Very low	37.6	Very low	147 Å²	147	141.5 Å²	141.5	90%	0.902	76%	0.764	S	S	*	*			trans	-154.7	96.1	151.6	-1.8	0	0	0	0	110.4
507	T	32.8	Very low	37.2	Very low	133 Å²	133	143 Å²	143	82%	0.816	77%	0.77	S	S	*	*			trans	-147.2	114.8	164	29.3	0	0	0	0	110.5
508	V	34.2	Very low	36.9	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.715	78%	0.775	S	S	*	*			trans	94.4	126	134.7	-178.1	0	0	0	0	120.8
509	R	35.3	Very low	36.5	Very low	228 Å²	228	144.4 Å²	144.4	86%	0.86	79%	0.786	S	S	*	*			trans	98.6	100.3	148.1	-84.3	160	-161.3	-172	1.2	122.7
510	E	32.4	Very low	35.9	Very low	184 Å²	184	140.4 Å²	140.4	86%	0.86	78%	0.783	S	S	*	*				15.4	146.3	109.9	-83.3	-171.2	161.2	0	0	119.5
511	V	34.5	Very low	35.7	Very low	129 Å²	129	141.6 Å²	141.6	78%	0.782	79%	0.789	S	S	*	*			cis	-167.1	154.6	20.2	149.8	0	0	0	0	110.4
512	G	33.8	Very low	35.1	Very low	67 Å²	67	139.9 Å²	139.9	69%	0.691	79%	0.789	S	S	*	*			trans	83.9	144.1	145.2	0	0	0	0	0	118.7
513	E	38.1	Very low	34.7	Very low	157 Å²	157	142.3 Å²	142.3	73%	0.734	80%	0.8	S	S	*	*			cis	-161.3	150.6	11.1	-90.6	-170	117.8	0	0	111.7
514	K	36.6	Very low	34.2	Very low	187 Å²	187	140.4 Å²	140.4	81%	0.813	79%	0.794	S	S	*	*			trans	47.7	126.1	139.5	-64.9	172	-179.6	149.9	0	123.8
515	G	34.3	Very low	33.8	Very low	67 Å²	67	138.3 Å²	138.3	69%	0.691	80%	0.797	S	S	*	*				129	103.7	105.2	0	0	0	0	0	120.4
516	S	36.9	Very low	33.5	Very low	122 Å²	122	133.4 Å²	133.4	85%	0.853	79%	0.794	S	S	*	*			trans	66.6	148.1	147.6	78.5	0	0	0	0	119.5
517	S	34.9	Very low	33.5	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	79%	0.787	S	S	*	*			cis	-177	163.8	-14.7	52.6	0	0	0	0	108
518	I	37.9	Very low	33.3	Very low	149 Å²	149	129 Å²	129	76%	0.764	79%	0.786	S	S	*	*			trans	104.6	103.3	153.1	-59	166	0	0	0	119.3
519	S	36.2	Very low	32.9	Very low	116 Å²	116	128 Å²	128	81%	0.811	79%	0.79	S	S	*	*			trans	68.9	122.3	136.2	79.9	0	0	0	0	123.2
520	G	32	Very low	32.7	Very low	64 Å²	64	122.1 Å²	122.1	66%	0.66	79%	0.79	S	S	*	*				120.1	82.1	116.5	0	0	0	0	0	117.1
521	N	38.9	Very low	32.5	Very low	171 Å²	171	121 Å²	121	91%	0.914	79%	0.79	S	S	*	*				167.9	120.1	114.4	-86.4	-17.1	0	0	0	112.2
522	N	30.9	Very low	32.1	Very low	150 Å²	150	118.1 Å²	118.1	80%	0.802	79%	0.787	S	S	*	*			trans	-72.8	139.3	176.1	-82	-25.5	0	0	0	112.1
523	C	29.2	Very low	32	Very low	133 Å²	133	123.1 Å²	123.1	90%	0.899	80%	0.797	S	S	*	*			trans	-153.8	87.8	139.4	-96.8	0	0	0	0	108.3
524	T	27.5	Very low	31.5	Very low	116 Å²	116	123.7 Å²	123.7	71%	0.712	81%	0.805	S	S	*	*			trans	-91.7	126.6	162.8	33.9	0	0	0	0	108.5
525	C	29.8	Very low	31.2	Very low	127 Å²	127	117.9 Å²	117.9	86%	0.858	80%	0.797	S	S	*	*			trans	-126.2	82.1	162.5	-61.3	0	0	0	0	108
526	T	25.9	Very low	30.9	Very low	139 Å²	139	123.5 Å²	123.5	85%	0.853	81%	0.806	S	S	*	*			trans	-76.8	112.5	150.7	40.9	0	0	0	0	107.9
527	A	30.8	Very low	30.8	Very low	91 Å²	91	125.7 Å²	125.7	75%	0.752	80%	0.795	S	S	*	*			trans	-142	101.9	160.8	0	0	0	0	0	105.5
528	A	28.3	Very low	30.5	Very low	98 Å²	98	129.1 Å²	129.1	81%	0.81	81%	0.805	S	S	*	*				77.5	108.7	82.9	0	0	0	0	0	111.4
529	A	25.9	Very low	30.4	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	80%	0.802	S	S	*	*			trans	0.4	115.2	154.5	0	0	0	0	0	116.9
530	A	32.1	Very low	30.4	Very low	105 Å²	105	127 Å²	127	87%	0.868	78%	0.778	S	S	*	*			trans	-110	89.7	152	0	0	0	0	0	108
531	N	27.4	Very low	30.5	Very low	161 Å²	161	128.6 Å²	128.6	86%	0.861	78%	0.777	S	S	*	*			trans	-56.3	149.2	156.1	-84	-32.5	0	0	0	110
532	G	26.9	Very low	30.2	Very low	69 Å²	69	124.6 Å²	124.6	71%	0.711	76%	0.758	S	S	*	*			trans	111	88.1	155.5	0	0	0	0	0	114.3
533	L	32	Very low	30.4	Very low	172 Å²	172	127.9 Å²	127.9	90%	0.901	78%	0.775	S	S	*	*				-173.2	65.3	126	-92.4	162	0	0	0	107.7	G535	L533-G535 PolarHBondContact O-N 3.22Å
534	N	27.2	Very low	30.5	Very low	169 Å²	169	127.7 Å²	127.7	90%	0.904	77%	0.769	S	S	*	*			trans	-69.1	83.7	153.1	-88	-11.9	0	0	0	106.7	E536	N534-E536 PolarHBondContact O-N 3.33Å
535	G	29.3	Very low	30.6	Very low	64 Å²	64	128.3 Å²	128.3	66%	0.66	77%	0.772	S	S	*	*			trans	-78.7	93.8	160.8	0	0	0	0	0	107.4	L533 R537	L533-G535 PolarHBondContact O-N 3.22Å; G535-R537 PolarHBondContact O-N 3.43Å
536	E	29.5	Very low	30.7	Very low	185 Å²	185	128.3 Å²	128.3	86%	0.864	77%	0.767	S	S	*	*			trans	-51	102.9	166.2	-76.5	-177.7	136.4	0	0	108.8	N534 L538	N534-E536 PolarHBondContact O-N 3.33Å; E536-L538 VanDerWaalsContact C-N 3.34Å; E536-L538 PolarHBondContact O-N 3.47Å
537	R	33.5	Very low	30.9	Very low	169 Å²	169	127.7 Å²	127.7	64%	0.638	76%	0.762	S	S	*	*			trans	-67.2	99.4	164.6	-100	179.3	166.9	-173.4	-8.3	106.4	E169 G535 K539	E169-R537 IonicContact OE2-NH2 3.95Å; G535-R537 PolarHBondContact O-N 3.43Å; R537-K539 VanDerWaalsContact C-N 3.26Å; R537-K539 PolarHBondContact O-N 3.42Å
538	L	29	Very low	30.9	Very low	168 Å²	168	130 Å²	130	88%	0.88	76%	0.763	S	S	*	*			trans	-53.2	98.4	157.9	-97.2	142.6	0	0	0	107.5	E536 L540	E536-L538 VanDerWaalsContact C-N 3.34Å; E536-L538 PolarHBondContact O-N 3.47Å; L538-L540 PolarHBondContact O-N 3.05Å
539	K	35	Very low	31.1	Very low	163 Å²	163	132.1 Å²	132.1	71%	0.709	76%	0.76	S	S	*	*			trans	-56.2	131	162	-70.8	173.3	179.1	169.7	0	106	R537	R537-K539 VanDerWaalsContact C-N 3.26Å; R537-K539 PolarHBondContact O-N 3.42Å
540	L	36.3	Very low	31.5	Very low	58 Å²	58	134.8 Å²	134.8	30%	0.304	76%	0.758	S	S	.	*			trans	-44.3	124.8	161.2	-80.9	157.5	0	0	0	107.5	I100 Y109 L538 V542	I100-L540 HydrophobicContact CD1-CD2 4.12Å; Y109-L540 HydrophobicContact CE2-CD2 3.71Å; Y109-L540 WeakPolarHBondContact OH-CD2 3.42Å; L538-L540 PolarHBondContact O-N 3.05Å; L540-V542 PolarHBondContact O-N 3.33Å; L540-V542 VanDerWaalsContact O-N 3.13Å
541	P	33.9	Very low	31.5	Very low	98 Å²	98	137.1 Å²	137.1	64%	0.636	75%	0.749	S	S	*	*			trans	-57.7	121.9	174.7	-16.4	27.7	0	0	0	107.8
542	V	34.7	Very low	31.8	Very low	86 Å²	86	135.1 Å²	135.1	52%	0.521	74%	0.74	S	S	.	*			trans	-80.1	122.5	165.8	179	0	0	0	0	105.4	R98 L540	R98-V542 HydrophobicContact CG-CG2 4.14Å; L540-V542 PolarHBondContact O-N 3.33Å; L540-V542 VanDerWaalsContact O-N 3.13Å
543	L	34.1	Very low	32.2	Very low	220 Å²	220	141.1 Å²	141.1	100%	1.152	74%	0.743	S	S	*	*			trans	-81.4	0	156.5	-83.5	169.8	0	0	0	108.7

Retrieved 543 of 543 residues in 148.1 ms (Link to these results)

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