A0A3Q0KN44_SCHMA Loading...

Nudix hydrolase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KN44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 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	34.1	Very low	31.2	Very low	237 Å²	237	152.7 Å²	152.7	100%	1.167	84%	0.837	S	S	*	*				0	102.6	0	-88.9	162.2	56.8	0	0	108.2
2	I	35	Very low	30.8	Very low	167 Å²	167	150.8 Å²	150.8	86%	0.856	83%	0.832	S	S	*	*			trans	25.7	97.9	156.2	-51.2	170.6	0	0	0	115.8
3	C	31	Very low	30.9	Very low	120 Å²	120	153.2 Å²	153.2	81%	0.811	83%	0.83	S	S	*	*				76.1	126.7	81.1	-97.7	0	0	0	0	117.4
4	C	32.7	Very low	30.9	Very low	118 Å²	118	152.9 Å²	152.9	80%	0.797	83%	0.827	S	S	*	*			trans	95.5	89	147.4	-70.5	0	0	0	0	121.7
5	L	31.6	Very low	30.6	Very low	155 Å²	155	152.6 Å²	152.6	81%	0.812	82%	0.823	S	S	*	*				1.7	143.3	124.4	-84.4	120.9	0	0	0	121.8
6	L	28.7	Very low	30.6	Very low	139 Å²	139	157.4 Å²	157.4	73%	0.728	83%	0.828	S	S	*	*			trans	84.7	113.2	139.5	-72	161.1	0	0	0	120.2
7	L	31.9	Very low	30.6	Very low	164 Å²	164	154.4 Å²	154.4	86%	0.859	82%	0.817	S	S	*	*				176.9	142.5	99.2	-94.9	162.3	0	0	0	112.9
8	L	26.8	Very low	30.6	Very low	150 Å²	150	153.8 Å²	153.8	79%	0.785	81%	0.81	S	S	*	*			trans	-65.3	146.1	170.9	-72.8	129.2	0	0	0	112.2
9	T	33.2	Very low	30.5	Very low	138 Å²	138	156.7 Å²	156.7	85%	0.847	81%	0.81	S	S	*	*				-170.5	129.6	125.2	40.5	0	0	0	0	111.8
10	N	26.2	Very low	30.5	Very low	154 Å²	154	158.2 Å²	158.2	82%	0.824	81%	0.806	S	S	*	*			trans	-56.5	138.2	165.6	-77.1	-52.5	0	0	0	112
11	L	31.5	Very low	30.4	Very low	138 Å²	138	154.8 Å²	154.8	72%	0.723	80%	0.795	S	S	*	*			trans	-154.6	105.7	148.2	-113.5	126.6	0	0	0	110.9	F13	L11-F13 HydrophobicContact CD2-CD2 3.41Å; L11-F13 VanDerWaalsContact CD2-CD2 3.41Å; L11-F13 HydrophobicContact CD2-CE2 3.26Å; L11-F13 HydrophobicContact CD2-CZ 4.49Å
12	V	27.1	Very low	30.1	Very low	129 Å²	129	150.6 Å²	150.6	78%	0.782	78%	0.778	S	S	*	*			trans	-65.4	123.7	160.4	172.5	0	0	0	0	107.1
13	F	31.7	Very low	29.8	Very low	183 Å²	183	153 Å²	153	80%	0.803	78%	0.777	S	S	*	*			trans	-126.4	126.1	165.2	-110.8	-78.6	0	0	0	110.6	L11	L11-F13 HydrophobicContact CD2-CD2 3.41Å; L11-F13 VanDerWaalsContact CD2-CD2 3.41Å; L11-F13 HydrophobicContact CD2-CE2 3.26Å; L11-F13 HydrophobicContact CD2-CZ 4.49Å
14	L	31.3	Very low	29.7	Very low	149 Å²	149	155.7 Å²	155.7	78%	0.78	78%	0.777	S	S	*	*			trans	-67.9	150.2	-176.7	-85.1	106.8	0	0	0	113.2
15	L	26.3	Very low	29.6	Very low	148 Å²	148	156 Å²	156	78%	0.775	78%	0.775	S	S	*	*			trans	-34.6	125.2	162.7	-67.4	150	0	0	0	114.3
16	Y	30	Very low	29.4	Very low	230 Å²	230	155.7 Å²	155.7	90%	0.902	77%	0.773	S	S	*	*			trans	-133.7	91.8	149.5	-109.5	-93.5	0	0	0	108.2	Q18	Y16-Q18 PolarHBondContact O-N 3.14Å
17	T	31.5	Very low	29.5	Very low	105 Å²	105	155.9 Å²	155.9	64%	0.644	77%	0.773	S	S	*	*			trans	-77.3	104.2	165.7	28	0	0	0	0	108.5	Y19	T17-Y19 PolarHBondContact O-N 3.35Å
18	Q	30.9	Very low	29.5	Very low	145 Å²	145	152.3 Å²	152.3	68%	0.678	76%	0.758	S	S	*	*			trans	-82	91.5	175.1	-159.3	163.2	-2	0	0	109.1	Y16 Y20	Y16-Q18 PolarHBondContact O-N 3.14Å; Q18-Y20 HydrophobicContact CB-CE2 4.45Å; Q18-Y20 HydrophobicContact CG-CD2 3.93Å; Q18-Y20 HydrophobicContact CG-CE2 3.6Å; Q18-Y20 PolarHBondContact NE2-OH 3.37Å; Q18-Y20 VanDerWaalsContact NE2-OH 3.14Å; Q18-Y20 PolarHBondContact O-N 3.09Å; Q18-Y20 VanDerWaalsContact O-N 3.09Å
19	Y	29	Very low	29.9	Very low	209 Å²	209	149.7 Å²	149.7	82%	0.82	75%	0.745	S	S	*	*			trans	-70.5	95.7	167.5	-85.8	-88.2	0	0	0	109	T17 C21	T17-Y19 PolarHBondContact O-N 3.35Å; Y19-C21 PolarHBondContact O-N 3.11Å; Y19-C21 VanDerWaalsContact O-N 3.16Å
20	Y	29.7	Very low	30.3	Very low	185 Å²	185	148 Å²	148	73%	0.725	73%	0.73	S	S	*	*			trans	-74.1	94.5	160	-81.6	-85.8	0	0	0	108.1	Q18 N22	Q18-Y20 HydrophobicContact CB-CE2 4.45Å; Q18-Y20 HydrophobicContact CG-CD2 3.93Å; Q18-Y20 HydrophobicContact CG-CE2 3.6Å; Q18-Y20 PolarHBondContact NE2-OH 3.37Å; Q18-Y20 VanDerWaalsContact NE2-OH 3.14Å; Q18-Y20 PolarHBondContact O-N 3.09Å; Q18-Y20 VanDerWaalsContact O-N 3.09Å; Y20-N22 PolarHBondContact O-N 3.18Å
21	C	28.1	Very low	30.7	Very low	87 Å²	87	145.3 Å²	145.3	59%	0.588	72%	0.723	S	S	*	*			trans	-81.3	101	168	-155.3	0	0	0	0	107.9	Y19 W23	Y19-C21 PolarHBondContact O-N 3.11Å; Y19-C21 VanDerWaalsContact O-N 3.16Å; C21-W23 PolarHBondContact O-N 3.16Å; C21-W23 VanDerWaalsContact O-N 3.11Å
22	N	27.2	Very low	30.8	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	73%	0.725	S	S	*	*			trans	-66.8	100.8	167.2	-83.4	-20.9	0	0	0	108.4	Y20 E24	Y20-N22 PolarHBondContact O-N 3.18Å; N22-E24 PolarHBondContact O-N 3.31Å
23	W	28.9	Very low	31.3	Very low	218 Å²	218	147 Å²	147	83%	0.826	72%	0.718	S	S	*	*			trans	-84.3	92.4	165.8	-69.3	92.5	0	0	0	108.2	C21 V25	C21-W23 PolarHBondContact O-N 3.16Å; C21-W23 VanDerWaalsContact O-N 3.11Å; W23-V25 PolarHBondContact O-N 3.23Å
24	E	30.2	Very low	31.3	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	71%	0.709	S	S	*	*			trans	-64.5	113.4	158.4	-79.4	-174	158.8	0	0	107.7	N22 L26	N22-E24 PolarHBondContact O-N 3.31Å; E24-L26 PolarHBondContact O-N 2.94Å
25	V	29.5	Very low	31.1	Very low	124 Å²	124	140.8 Å²	140.8	75%	0.752	71%	0.714	S	S	*	*			trans	-65.9	101.3	170	178.2	0	0	0	0	107.1	W23 I27	W23-V25 PolarHBondContact O-N 3.23Å; V25-I27 VanDerWaalsContact C-N 3.29Å; V25-I27 HydrophobicContact CG1-CG1 3.98Å; V25-I27 PolarHBondContact O-N 3Å
26	L	27.3	Very low	31.1	Very low	148 Å²	148	139.7 Å²	139.7	78%	0.775	71%	0.713	S	S	*	*			trans	-69.5	90.9	167.9	-122.5	121.1	0	0	0	107.7	E24 V28	E24-L26 PolarHBondContact O-N 2.94Å; L26-V28 VanDerWaalsContact C-N 3.28Å; L26-V28 HydrophobicContact CD2-CG2 4.15Å; L26-V28 PolarHBondContact O-N 3.11Å
27	I	30.9	Very low	31.1	Very low	143 Å²	143	134 Å²	134	73%	0.733	70%	0.702	S	S	*	*			trans	-69.2	95.3	162.6	-60.6	179.1	0	0	0	105.7	V25 D29	V25-I27 VanDerWaalsContact C-N 3.29Å; V25-I27 HydrophobicContact CG1-CG1 3.98Å; V25-I27 PolarHBondContact O-N 3Å; I27-D29 PolarHBondContact O-N 3Å; I27-D29 VanDerWaalsContact O-N 3.11Å
28	V	33.1	Very low	31.3	Very low	89 Å²	89	135.7 Å²	135.7	54%	0.539	71%	0.712	S	S	.	*			trans	-68.9	106.5	166.8	-178.6	0	0	0	0	106.2	L26 I30	L26-V28 VanDerWaalsContact C-N 3.28Å; L26-V28 HydrophobicContact CD2-CG2 4.15Å; L26-V28 PolarHBondContact O-N 3.11Å; V28-I30 VanDerWaalsContact C-N 3.34Å; V28-I30 HydrophobicContact CG1-CG1 4.2Å; V28-I30 PolarHBondContact O-N 3.06Å
29	D	34.1	Very low	32.4	Very low	96 Å²	96	131 Å²	131	51%	0.513	70%	0.699	S	S	.	*			trans	-71.9	91.3	171.7	-174.3	4.5	0	0	0	109	I27 S31	I27-D29 PolarHBondContact O-N 3Å; I27-D29 VanDerWaalsContact O-N 3.11Å; D29-S31 PolarHBondContact O-N 3.42Å; D29-S31 VanDerWaalsContact O-N 3.17Å; D29-S31 WeakPolarHBondContact OD1-CB 3.38Å; D29-S31 PolarHBondContact OD1-N 2.94Å; D29-S31 PolarHBondContact OD1-OG 3.03Å; D29-S31 PolarHBondContact OD2-OG 3.3Å
30	I	41.7	Very low	34.7	Very low	102 Å²	102	127.3 Å²	127.3	52%	0.523	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-66.4	-10.2	179.9	-56.5	169.2	0	0	0	111.2	V28 K32 M33	V28-I30 VanDerWaalsContact C-N 3.34Å; V28-I30 HydrophobicContact CG1-CG1 4.2Å; V28-I30 PolarHBondContact O-N 3.06Å; I30-K32 PolarHBondContact O-N 3.41Å; I30-M33 PolarHBondContact O-N 2.78Å
31	S	35	Very low	37.7	Very low	98 Å²	98	121.8 Å²	121.8	69%	0.685	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-67.8	-7.4	-178.2	74.9	0	0	0	0	114.9	D29	D29-S31 PolarHBondContact O-N 3.42Å; D29-S31 VanDerWaalsContact O-N 3.17Å; D29-S31 WeakPolarHBondContact OD1-CB 3.38Å; D29-S31 PolarHBondContact OD1-N 2.94Å; D29-S31 PolarHBondContact OD1-OG 3.03Å; D29-S31 PolarHBondContact OD2-OG 3.3Å
32	K	33.3	Very low	40.9	Very low	175 Å²	175	117.8 Å²	117.8	76%	0.761	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-103.9	8.4	-179	-77.5	-177.5	180	172.7	0	115.8	I30 A34	I30-K32 PolarHBondContact O-N 3.41Å; K32-A34 PolarHBondContact O-N 3.32Å
33	M	36.8	Very low	44.1	Very low	127 Å²	127	114.4 Å²	114.4	63%	0.626	63%	0.633	S	S	*	*	S	Bend	trans	-72.4	83.7	165.2	-75.9	-161.7	-167.2	0	0	110.4	I30	I30-M33 PolarHBondContact O-N 2.78Å
34	A	33.4	Very low	47.3	Very low	76 Å²	76	107.3 Å²	107.3	63%	0.628	61%	0.608	S	S	*	*			trans	22.1	99.6	154.9	0	0	0	0	0	116.6	K32 V36	K32-A34 PolarHBondContact O-N 3.32Å; A34-V36 PolarHBondContact O-N 3.15Å
35	S	26.5	Very low	50.5	Low	126 Å²	126	98.9 Å²	98.9	88%	0.881	57%	0.569	S	S	*	*			trans	-52.2	79.7	147	160.6	0	0	0	0	110.6
36	V	26.7	Very low	53.7	Low	125 Å²	125	94.8 Å²	94.8	76%	0.758	54%	0.54	S	S	*	.			trans	-140.6	81.6	161.7	-175.3	0	0	0	0	107	A34	A34-V36 PolarHBondContact O-N 3.15Å
37	T	30.1	Very low	57	Low	109 Å²	109	92.1 Å²	92.1	67%	0.669	53%	0.526	S	S	*	.			trans	-137.3	109.8	162.8	59	0	0	0	0	108.4	A39	T37-A39 PolarHBondContact O-N 3.37Å
38	V	34.8	Very low	60.1	Low	141 Å²	141	87.7 Å²	87.7	86%	0.855	51%	0.508	S	S	*	.	S	Bend		-47.7	101.6	128.9	176.6	0	0	0	0	103.3	N40	V38-N40 PolarHBondContact O-N 2.56Å
39	A	53.8	Low	63.1	Low	47 Å²	47	86.5 Å²	86.5	39%	0.388	50%	0.502	S	S	.	.			trans	-54.6	107	-168.3	0	0	0	0	0	107.5	T37 L41	T37-A39 PolarHBondContact O-N 3.37Å; A39-L41 PolarHBondContact O-N 3.46Å
40	N	77.3	Confident	66.1	Low	132 Å²	132	81.9 Å²	81.9	71%	0.706	48%	0.477	S	S	*	.			trans	-47.5	112.9	-170.6	-88.7	-24.8	0	0	0	108.8	V38 H42 R133	V38-N40 PolarHBondContact O-N 2.56Å; N40-H42 PolarHBondContact O-N 2.88Å; N40-R133 PolarHBondContact O-NH2 2.94Å
41	L	92.8	Very high	68.6	Low	68 Å²	68	78.6 Å²	78.6	36%	0.356	46%	0.463	S	S	.	.			trans	-55.4	139.2	-177.6	-69.3	174.5	0	0	0	108.2	A39 V43 D63 V66	A39-L41 PolarHBondContact O-N 3.46Å; L41-V43 WeakPolarHBondContact O-CG2 3.3Å; L41-V43 PolarHBondContact O-N 3.05Å; L41-D63 HydrophobicContact CD1-CB 3.6Å; L41-V66 HydrophobicContact CD1-CG2 4.41Å; L41-V66 HydrophobicContact CD2-CB 3.98Å; L41-V66 HydrophobicContact CD2-CG1 3.9Å; L41-V66 HydrophobicContact CD2-CG2 4.32Å
42	H	95.5	Very high	71.2	Confident	4 Å²	4	82.3 Å²	82.3	2%	0.019	46%	0.461	C	S	.	.			trans	-62.9	128.8	171.3	60.2	175	0	0	0	109	N40 C45 R46 V66 G134 R135 Y249 D251	N40-H42 PolarHBondContact O-N 2.88Å; H42-C45 VanDerWaalsContact CB-SG 3.5Å; H42-C45 PolarHBondContact ND1-SG 3.2Å; H42-R46 VanDerWaalsContact O-CZ 3.3Å; H42-R46 PolarHBondContact O-NE 2.55Å; H42-R46 PolarHBondContact O-NH2 2.82Å; H42-V66 WeakPolarHBondContact NE2-CG1 3.27Å; H42-G134 PolarHBondContact CE1-O 2.99Å; H42-R135 PolarHBondContact NE2-O 3.43Å; H42-Y249 HydrophobicContact CB-CE1 4.26Å; H42-Y249 AromaticContact ND1-CZ 3.97Å; H42-Y249 PolarHBondContact ND1-OH 3.17Å; H42-D251 HydrophobicContact CB-CB 4.2Å; H42-D251 WeakPolarHBondContact CB-OD1 3.32Å
43	V	95.2	Very high	74.1	Confident	79 Å²	79	75.1 Å²	75.1	48%	0.479	43%	0.432	S	S	.	.			trans	-115.5	-43.8	-176.1	-179.4	0	0	0	0	110	L41 C45 R46 D251	L41-V43 WeakPolarHBondContact O-CG2 3.3Å; L41-V43 PolarHBondContact O-N 3.05Å; V43-C45 VanDerWaalsContact C-N 3.35Å; V43-C45 PolarHBondContact O-N 3.42Å; V43-R46 PolarHBondContact O-N 3Å; V43-D251 PolarHBondContact N-OD1 3.47Å; V43-D251 PolarHBondContact N-OD2 2.81Å
44	K	95	Very high	76.7	Confident	68 Å²	68	74.1 Å²	74.1	30%	0.296	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-63.2	-41.8	-174.2	-67.9	170.5	179.7	151.1	0	111.7	R46 N47 D251 P253 A303	K44-R46 PolarHBondContact O-N 2.73Å; K44-N47 WeakPolarHBondContact O-CB 3.34Å; K44-N47 PolarHBondContact O-N 3.17Å; K44-D251 WeakPolarHBondContact CB-OD2 3.27Å; K44-D251 PolarHBondContact N-OD1 2.92Å; K44-D251 PolarHBondContact N-OD2 2.87Å; K44-P253 HydrophobicContact CB-CG 4.31Å; K44-A303 WeakPolarHBondContact CE-O 3.48Å; K44-A303 PolarHBondContact NZ-O 3.06Å
45	C	97	Very high	79.7	Confident	0 Å²	0	76 Å²	76	0%	0	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-71.2	-4.1	176.4	65.5	0	0	0	0	115.1	H42 V43 R58 D251 D252 N255	H42-C45 VanDerWaalsContact CB-SG 3.5Å; H42-C45 PolarHBondContact ND1-SG 3.2Å; V43-C45 VanDerWaalsContact C-N 3.35Å; V43-C45 PolarHBondContact O-N 3.42Å; C45-R58 WeakPolarHBondContact O-CD 3.49Å; C45-R58 PolarHBondContact O-NE 3.09Å; C45-R58 PolarHBondContact O-NH1 3.29Å; C45-R58 PolarHBondContact O-NH2 3.25Å; C45-D251 PolarHBondContact N-OD1 3.28Å; C45-D251 PolarHBondContact SG-OD1 2.99Å; C45-D252 WeakPolarHBondContact CB-O 3.32Å; C45-N255 HydrophobicContact CB-CB 3.71Å
46	R	97.6	Very high	83.1	Confident	38 Å²	38	71.4 Å²	71.4	14%	0.143	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-100.1	-5.8	173.5	-70	-173.5	-69.9	148.1	-1.5	112.8	H42 V43 K44 V61 D63	H42-R46 VanDerWaalsContact O-CZ 3.3Å; H42-R46 PolarHBondContact O-NE 2.55Å; H42-R46 PolarHBondContact O-NH2 2.82Å; V43-R46 PolarHBondContact O-N 3Å; K44-R46 PolarHBondContact O-N 2.73Å; R46-V61 PolarHBondContact NH1-O 2.84Å; R46-D63 IonicContact CZ-OD1 2.75Å; R46-D63 IonicContact NH1-OD1 3.64Å; R46-D63 PolarHBondContact NH1-OD1 3.49Å; R46-D63 IonicContact NH2-OD1 2.64Å; R46-D63 PolarHBondContact NH2-OD1 2.98Å
47	N	96.1	Very high	86.5	Confident	92 Å²	92	70 Å²	70	49%	0.492	39%	0.388	S	S	.	.			trans	-76.3	148.2	179.1	-66.4	-24.6	0	0	0	112	K44 R58	K44-N47 WeakPolarHBondContact O-CB 3.34Å; K44-N47 PolarHBondContact O-N 3.17Å; N47-R58 WeakPolarHBondContact O-CD 3.46Å; N47-R58 PolarHBondContact O-NE 2.84Å; N47-R58 VanDerWaalsContact O-NE 3.11Å
48	S	96.5	Very high	89.7	Confident	49 Å²	49	65.2 Å²	65.2	34%	0.343	36%	0.357	S	S	.	.	S	Bend	trans	-120.7	157.8	177.4	-59.6	0	0	0	0	111.3	R58	S48-R58 WeakPolarHBondContact OG-CB 3.46Å; S48-R58 PolarHBondContact OG-N 3.08Å
49	P	96.5	Very high	92.8	Very high	64 Å²	64	61.8 Å²	61.8	42%	0.416	33%	0.33	S	S	.	.	S	Bend	cis	-66.2	158.6	-5.2	29.1	-35	0	0	0	112.5	I56	P49-I56 WeakPolarHBondContact CA-O 3.33Å
50	Y	97.2	Very high	94.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-58.6	139.7	171.8	-173.3	-87.5	0	0	0	109.9	T53 I56 Y80 I138 G142 V143 R254 T256	Y50-T53 HydrophobicContact CD1-CG2 4.26Å; Y50-T53 WeakPolarHBondContact O-CB 3.2Å; Y50-T53 PolarHBondContact O-N 3.36Å; Y50-T53 PolarHBondContact O-OG1 3.46Å; Y50-I56 PolarHBondContact N-O 2.76Å; Y50-Y80 AromaticContact CD1-CD1 3.84Å; Y50-Y80 HydrophobicContact CD1-CD1 3.84Å; Y50-Y80 AromaticContact CD1-CE1 3.62Å; Y50-Y80 HydrophobicContact CD1-CE1 3.62Å; Y50-Y80 HydrophobicContact CE1-CD1 4.1Å; Y50-Y80 AromaticContact CE1-CE1 3.85Å; Y50-Y80 HydrophobicContact CE1-CE1 3.85Å; Y50-Y80 HydrophobicContact CG-CD1 4.27Å; Y50-Y80 HydrophobicContact CG-CE1 4.44Å; Y50-I138 HydrophobicContact CD2-CD1 3.57Å; Y50-I138 HydrophobicContact CD2-CG2 4.42Å; Y50-I138 HydrophobicContact CE2-CD1 4.23Å; Y50-I138 HydrophobicContact CE2-CG2 4.45Å; Y50-I138 HydrophobicContact CG-CD1 3.98Å; Y50-G142 WeakPolarHBondContact OH-CA 3.49Å; Y50-V143 HydrophobicContact CE1-CB 4.31Å; Y50-V143 HydrophobicContact CE1-CG1 3.91Å; Y50-V143 HydrophobicContact CE1-CG2 3.95Å; Y50-V143 PolarHBondContact OH-N 3.26Å; Y50-R254 WeakPolarHBondContact CE2-O 3.49Å; Y50-R254 PolarHBondContact OH-O 2.97Å; Y50-T256 HydrophobicContact CE2-CG2 3.97Å
51	P	92.6	Very high	95.9	Very high	33 Å²	33	58.8 Å²	58.8	21%	0.214	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	143.3	-175.5	-29.1	35.5	0	0	0	114.1	T53 P253 R254	P51-T53 PolarHBondContact O-N 2.89Å; P51-P253 VanDerWaalsContact CD-O 3.22Å; P51-P253 WeakPolarHBondContact CD-O 3.41Å; P51-P253 HydrophobicContact CG-CB 3.56Å; P51-P253 WeakPolarHBondContact CG-O 3.29Å; P51-R254 HydrophobicContact CB-CG 4.34Å; P51-R254 HydrophobicContact CG-CG 4.16Å
52	R	90.5	Very high	96.1	Very high	175 Å²	175	58.4 Å²	58.4	66%	0.66	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	18.9	-178.3	-50.6	179.9	-179.2	-177.2	-3.2	114.3	V143 D188	R52-V143 HydrophobicContact CB-CG1 4.46Å; R52-D188 IonicContact NE-OD2 4Å; R52-D188 IonicContact NH2-OD2 3.28Å; R52-D188 PolarHBondContact NH2-OD2 3.11Å
53	T	93.6	Very high	96.2	Very high	24 Å²	24	63 Å²	63	15%	0.147	34%	0.34	C	S	.	.			trans	-130.3	156.1	171.7	78	0	0	0	0	109	Y50 P51 I56 Y80	Y50-T53 HydrophobicContact CD1-CG2 4.26Å; Y50-T53 WeakPolarHBondContact O-CB 3.2Å; Y50-T53 PolarHBondContact O-N 3.36Å; Y50-T53 PolarHBondContact O-OG1 3.46Å; P51-T53 PolarHBondContact O-N 2.89Å; T53-I56 HydrophobicContact CG2-CB 4.19Å; T53-I56 HydrophobicContact CG2-CG1 3.79Å; T53-I56 WeakPolarHBondContact OG1-CB 3.34Å; T53-Y80 HydrophobicContact CG2-CE1 3.85Å; T53-Y80 HydrophobicContact CG2-CE2 4.3Å; T53-Y80 WeakPolarHBondContact CG2-OH 3.48Å
54	S	92.9	Very high	96.2	Very high	107 Å²	107	64.4 Å²	64.4	75%	0.748	34%	0.344	S	S	*	.	S	Bend	trans	-105.2	-18.9	172.3	49.9	0	0	0	0	112.5
55	D	95.6	Very high	96.4	Very high	114 Å²	114	63.8 Å²	63.8	61%	0.61	34%	0.342	S	S	*	.	S	Bend	trans	-120.4	-19.6	-164.4	60.8	-36.3	0	0	0	113.9	Q57	D55-Q57 PolarHBondContact O-N 3.26Å
56	I	97.8	Very high	96.4	Very high	30 Å²	30	63.8 Å²	63.8	15%	0.154	34%	0.342	C	S	.	.			trans	-79.2	99	-179	-52.2	-58.1	0	0	0	110.2	P49 Y50 T53 V78 Y80 I138	P49-I56 WeakPolarHBondContact CA-O 3.33Å; Y50-I56 PolarHBondContact N-O 2.76Å; T53-I56 HydrophobicContact CG2-CB 4.19Å; T53-I56 HydrophobicContact CG2-CG1 3.79Å; T53-I56 WeakPolarHBondContact OG1-CB 3.34Å; I56-V78 HydrophobicContact CG2-CG1 4.29Å; I56-Y80 HydrophobicContact CD1-CD2 3.85Å; I56-Y80 HydrophobicContact CD1-CE2 4.1Å; I56-Y80 HydrophobicContact CG1-CD2 3.75Å; I56-Y80 HydrophobicContact CG1-CE2 3.75Å; I56-Y80 HydrophobicContact CG1-CG 4.22Å; I56-Y80 HydrophobicContact CG2-CD1 4.23Å; I56-Y80 HydrophobicContact CG2-CD2 4.21Å; I56-Y80 HydrophobicContact CG2-CG 3.88Å; I56-I138 HydrophobicContact CG2-CD1 3.83Å
57	Q	98.1	Very high	96.4	Very high	96 Å²	96	64.7 Å²	64.7	45%	0.449	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-89.5	133.8	173.5	-55.7	-56.8	-54.8	0	0	110.1	D55 V78	D55-Q57 PolarHBondContact O-N 3.26Å; Q57-V78 WeakPolarHBondContact O-CG2 3.45Å
58	R	98.5	Very high	96.5	Very high	8 Å²	8	63.8 Å²	63.8	3%	0.03	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.8	148.3	171	-61.4	171.4	175.1	-87.7	3.2	109.3	C45 N47 S48 T136 I138 P253 N255	C45-R58 WeakPolarHBondContact O-CD 3.49Å; C45-R58 PolarHBondContact O-NE 3.09Å; C45-R58 PolarHBondContact O-NH1 3.29Å; C45-R58 PolarHBondContact O-NH2 3.25Å; N47-R58 WeakPolarHBondContact O-CD 3.46Å; N47-R58 PolarHBondContact O-NE 2.84Å; N47-R58 VanDerWaalsContact O-NE 3.11Å; S48-R58 WeakPolarHBondContact OG-CB 3.46Å; S48-R58 PolarHBondContact OG-N 3.08Å; R58-T136 WeakPolarHBondContact CD-O 3.42Å; R58-T136 PolarHBondContact NH1-O 2.85Å; R58-T136 PolarHBondContact NH1-OG1 2.82Å; R58-I138 HydrophobicContact CG-CB 4.33Å; R58-P253 PolarHBondContact NH2-O 3.39Å; R58-N255 PolarHBondContact NH1-O 3.29Å; R58-N255 PolarHBondContact NH2-O 2.76Å
59	Y	98.5	Very high	96.5	Very high	69 Å²	69	66.4 Å²	66.4	27%	0.271	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-61.3	128	166	-172.1	-85.6	0	0	0	109	V61 W72 E74 Y75 H76 G137	Y59-V61 PolarHBondContact O-N 2.87Å; Y59-W72 HydrophobicContact CD1-CH2 4.14Å; Y59-W72 AromaticContact CE1-CH2 3.63Å; Y59-W72 HydrophobicContact CE1-CH2 3.63Å; Y59-W72 AromaticContact CE1-CZ2 3.67Å; Y59-W72 HydrophobicContact CE1-CZ2 3.67Å; Y59-E74 PolarHBondContact OH-O 2.94Å; Y59-E74 VanDerWaalsContact OH-O 3.08Å; Y59-Y75 AromaticContact CD1-CD2 3.81Å; Y59-Y75 HydrophobicContact CD1-CD2 3.81Å; Y59-Y75 AromaticContact CD1-CE2 3.96Å; Y59-Y75 HydrophobicContact CD1-CE2 3.96Å; Y59-Y75 HydrophobicContact CE1-CD2 4.06Å; Y59-H76 HydrophobicContact CD2-CB 4.15Å; Y59-H76 WeakPolarHBondContact CD2-O 3.42Å; Y59-H76 HydrophobicContact CE2-CB 3.86Å; Y59-G137 WeakPolarHBondContact CB-O 3.15Å; Y59-G137 PolarHBondContact N-O 3.24Å; Y59-G137 VanDerWaalsContact O-CA 3.23Å; Y59-G137 WeakPolarHBondContact O-CA 3.28Å
60	P	97.9	Very high	96.5	Very high	103 Å²	103	65.4 Å²	65.4	67%	0.669	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-59.5	125.7	-179.3	-24.7	34.2	0	0	0	111.5	W72	P60-W72 WeakPolarHBondContact O-CH2 3.44Å
61	V	98.4	Very high	96.5	Very high	14 Å²	14	70.4 Å²	70.4	9%	0.085	39%	0.39	C	S	.	.			trans	-114.5	103.8	177.8	178.3	0	0	0	0	109.3	R46 Y59 V66 W72 Y75 R135	R46-V61 PolarHBondContact NH1-O 2.84Å; Y59-V61 PolarHBondContact O-N 2.87Å; V61-V66 HydrophobicContact CG1-CB 4.48Å; V61-V66 HydrophobicContact CG1-CG2 3.85Å; V61-W72 HydrophobicContact CB-CZ3 4.47Å; V61-W72 HydrophobicContact CG1-CZ3 4.15Å; V61-W72 HydrophobicContact CG2-CH2 4.5Å; V61-W72 HydrophobicContact CG2-CZ3 4.23Å; V61-Y75 HydrophobicContact CG2-CE2 3.76Å; V61-R135 HydrophobicContact CG1-CB 3.92Å; V61-R135 HydrophobicContact CG2-CB 4.11Å
62	P	97	Very high	96.7	Very high	60 Å²	60	70.7 Å²	70.7	39%	0.39	39%	0.386	S	S	.	.			trans	-58.9	151.4	170.8	-25.2	36	0	0	0	112.4	D64 K65 V66	P62-D64 VanDerWaalsContact C-N 3.28Å; P62-D64 WeakPolarHBondContact CB-OD1 3.29Å; P62-D64 PolarHBondContact O-N 3.12Å; P62-K65 HydrophobicContact CB-CB 4.43Å; P62-K65 HydrophobicContact CB-CG 4.26Å; P62-K65 HydrophobicContact CG-CG 4.42Å; P62-K65 WeakPolarHBondContact O-CA 3.5Å; P62-K65 PolarHBondContact O-N 2.95Å; P62-V66 PolarHBondContact O-N 2.83Å
63	D	97.3	Very high	97	Very high	101 Å²	101	67.4 Å²	67.4	54%	0.54	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-58.5	-37.4	-176.3	-77.5	-6.5	0	0	0	113.3	L41 R46 K65 V66	L41-D63 HydrophobicContact CD1-CB 3.6Å; R46-D63 IonicContact CZ-OD1 2.75Å; R46-D63 IonicContact NH1-OD1 3.64Å; R46-D63 PolarHBondContact NH1-OD1 3.49Å; R46-D63 IonicContact NH2-OD1 2.64Å; R46-D63 PolarHBondContact NH2-OD1 2.98Å; D63-K65 PolarHBondContact O-N 2.97Å; D63-V66 PolarHBondContact O-N 3.24Å
64	D	96.7	Very high	97.2	Very high	108 Å²	108	72 Å²	72	58%	0.578	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-72.9	-8.6	177.1	70.4	-49.5	0	0	0	113.5	P62	P62-D64 VanDerWaalsContact C-N 3.28Å; P62-D64 WeakPolarHBondContact CB-OD1 3.29Å; P62-D64 PolarHBondContact O-N 3.12Å
65	K	97.9	Very high	97.4	Very high	55 Å²	55	68.4 Å²	68.4	24%	0.239	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-112.1	-0.1	-179.2	-61	-64.7	177.3	175.9	0	113.9	P62 D63 S67 V70 W72 R135	P62-K65 HydrophobicContact CB-CB 4.43Å; P62-K65 HydrophobicContact CB-CG 4.26Å; P62-K65 HydrophobicContact CG-CG 4.42Å; P62-K65 WeakPolarHBondContact O-CA 3.5Å; P62-K65 PolarHBondContact O-N 2.95Å; D63-K65 PolarHBondContact O-N 2.97Å; K65-S67 PolarHBondContact O-N 2.88Å; K65-V70 HydrophobicContact CD-CG1 3.77Å; K65-W72 HydrophobicContact CB-CD2 4.03Å; K65-W72 HydrophobicContact CB-CE3 3.55Å; K65-W72 HydrophobicContact CB-CH2 4.08Å; K65-W72 HydrophobicContact CB-CZ3 3.58Å; K65-W72 HydrophobicContact CD-CB 4.41Å; K65-W72 HydrophobicContact CD-CD2 4.09Å; K65-W72 HydrophobicContact CD-CE3 4.41Å; K65-W72 HydrophobicContact CD-CG 4.11Å; K65-W72 HydrophobicContact CG-CD2 4.12Å; K65-W72 HydrophobicContact CG-CE3 4.16Å; K65-W72 HydrophobicContact CG-CH2 4.49Å; K65-W72 HydrophobicContact CG-CZ2 4.46Å; K65-W72 HydrophobicContact CG-CZ3 4.35Å; K65-R135 WeakPolarHBondContact O-CD 3.28Å; K65-R135 PolarHBondContact O-NH1 2.84Å
66	V	98.2	Very high	97.5	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.384	C	S	.	.			trans	-60	-47.8	178.2	172.5	0	0	0	0	111.3	L41 H42 V61 P62 D63 W68 R133 G134 R135	L41-V66 HydrophobicContact CD1-CG2 4.41Å; L41-V66 HydrophobicContact CD2-CB 3.98Å; L41-V66 HydrophobicContact CD2-CG1 3.9Å; L41-V66 HydrophobicContact CD2-CG2 4.32Å; H42-V66 WeakPolarHBondContact NE2-CG1 3.27Å; V61-V66 HydrophobicContact CG1-CB 4.48Å; V61-V66 HydrophobicContact CG1-CG2 3.85Å; P62-V66 PolarHBondContact O-N 2.83Å; D63-V66 PolarHBondContact O-N 3.24Å; V66-W68 PolarHBondContact O-N 3.4Å; V66-R133 WeakPolarHBondContact CG1-O 3.36Å; V66-G134 CarbonylContact O-C 3.46Å; V66-G134 WeakPolarHBondContact O-CA 3.29Å; V66-R135 PolarHBondContact O-N 2.97Å
67	S	97.2	Very high	97.5	Very high	56 Å²	56	69.8 Å²	69.8	39%	0.392	38%	0.384	S	S	.	.	S	Bend	trans	-66.9	130.7	-174.2	-179.3	0	0	0	0	112.6	K65 S69 V70 R135	K65-S67 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact O-N 3.05Å; S67-S69 VanDerWaalsContact O-N 3.11Å; S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-OG 3.48Å; S67-V70 WeakPolarHBondContact O-CB 3.42Å; S67-V70 PolarHBondContact O-N 3.31Å; S67-R135 PolarHBondContact O-NH1 2.73Å
68	W	97.3	Very high	97.5	Very high	73 Å²	73	67.8 Å²	67.8	28%	0.277	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23	173.5	-64.5	119.2	0	0	0	113.9	V66 V70 Y75 L130 N131 R135 D257	V66-W68 PolarHBondContact O-N 3.4Å; W68-V70 PolarHBondContact O-N 2.81Å; W68-Y75 HydrophobicContact CH2-CE1 4.25Å; W68-Y75 HydrophobicContact CZ3-CE1 4.19Å; W68-L130 HydrophobicContact CD2-CD1 4.47Å; W68-L130 HydrophobicContact CD2-CD2 4.48Å; W68-L130 HydrophobicContact CH2-CD2 3.88Å; W68-L130 HydrophobicContact CZ2-CB 4.48Å; W68-L130 HydrophobicContact CZ2-CD2 3.83Å; W68-L130 HydrophobicContact CZ3-CD2 4.23Å; W68-N131 PolarHBondContact NE1-O 2.88Å; W68-R135 HydrophobicContact CD2-CG 4.19Å; W68-R135 HydrophobicContact CE3-CG 3.66Å; W68-R135 HydrophobicContact CH2-CB 4.31Å; W68-R135 HydrophobicContact CH2-CG 3.48Å; W68-R135 VanDerWaalsContact CH2-CG 3.48Å; W68-R135 HydrophobicContact CZ2-CG 4.01Å; W68-R135 HydrophobicContact CZ3-CG 3.29Å; W68-D257 HydrophobicContact CH2-CB 4.02Å; W68-D257 WeakPolarHBondContact CH2-OD2 3.4Å; W68-D257 HydrophobicContact CZ2-CB 4.1Å
69	S	96.1	Very high	97.5	Very high	104 Å²	104	71 Å²	71	73%	0.727	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.3	176	65.3	0	0	0	0	113.5	S67	S67-S69 PolarHBondContact O-N 3.05Å; S67-S69 VanDerWaalsContact O-N 3.11Å; S67-S69 PolarHBondContact OG-N 2.84Å; S67-S69 PolarHBondContact OG-OG 3.48Å
70	V	97.1	Very high	97.5	Very high	43 Å²	43	69.4 Å²	69.4	26%	0.261	40%	0.4	S	S	.	.	S	Bend	trans	-83.7	120.4	176.5	-178.2	0	0	0	0	108.6	K65 S67 W68 W72 R135	K65-V70 HydrophobicContact CD-CG1 3.77Å; S67-V70 WeakPolarHBondContact O-CB 3.42Å; S67-V70 PolarHBondContact O-N 3.31Å; W68-V70 PolarHBondContact O-N 2.81Å; V70-W72 PolarHBondContact O-N 3.28Å; V70-R135 PolarHBondContact O-NH1 3.1Å; V70-R135 PolarHBondContact O-NH2 3.07Å
71	S	96.8	Very high	97.4	Very high	106 Å²	106	66.3 Å²	66.3	74%	0.741	38%	0.379	S	S	*	.			trans	-63.7	132.3	173.1	-171.6	0	0	0	0	110.1
72	W	97.4	Very high	97.4	Very high	38 Å²	38	66.5 Å²	66.5	14%	0.144	38%	0.382	C	S	.	.			trans	-157.1	84.4	180	-166.4	17	0	0	0	110.1	Y59 P60 V61 K65 V70 E74 Y75	Y59-W72 HydrophobicContact CD1-CH2 4.14Å; Y59-W72 AromaticContact CE1-CH2 3.63Å; Y59-W72 HydrophobicContact CE1-CH2 3.63Å; Y59-W72 AromaticContact CE1-CZ2 3.67Å; Y59-W72 HydrophobicContact CE1-CZ2 3.67Å; P60-W72 WeakPolarHBondContact O-CH2 3.44Å; V61-W72 HydrophobicContact CB-CZ3 4.47Å; V61-W72 HydrophobicContact CG1-CZ3 4.15Å; V61-W72 HydrophobicContact CG2-CH2 4.5Å; V61-W72 HydrophobicContact CG2-CZ3 4.23Å; K65-W72 HydrophobicContact CB-CD2 4.03Å; K65-W72 HydrophobicContact CB-CE3 3.55Å; K65-W72 HydrophobicContact CB-CH2 4.08Å; K65-W72 HydrophobicContact CB-CZ3 3.58Å; K65-W72 HydrophobicContact CD-CB 4.41Å; K65-W72 HydrophobicContact CD-CD2 4.09Å; K65-W72 HydrophobicContact CD-CE3 4.41Å; K65-W72 HydrophobicContact CD-CG 4.11Å; K65-W72 HydrophobicContact CG-CD2 4.12Å; K65-W72 HydrophobicContact CG-CE3 4.16Å; K65-W72 HydrophobicContact CG-CH2 4.49Å; K65-W72 HydrophobicContact CG-CZ2 4.46Å; K65-W72 HydrophobicContact CG-CZ3 4.35Å; V70-W72 PolarHBondContact O-N 3.28Å; W72-E74 PolarHBondContact O-N 3.39Å; W72-Y75 HydrophobicContact CD2-CD2 4.39Å; W72-Y75 HydrophobicContact CD2-CG 4.4Å; W72-Y75 AromaticContact CE3-CD2 3.64Å; W72-Y75 HydrophobicContact CE3-CD2 3.64Å; W72-Y75 AromaticContact CE3-CG 3.84Å; W72-Y75 HydrophobicContact CE3-CG 3.84Å; W72-Y75 AromaticContact CH2-CD2 3.91Å; W72-Y75 HydrophobicContact CH2-CD2 3.91Å; W72-Y75 AromaticContact CZ3-CD2 3.36Å; W72-Y75 HydrophobicContact CZ3-CD2 3.36Å; W72-Y75 AromaticContact CZ3-CE2 3.99Å; W72-Y75 HydrophobicContact CZ3-CE2 3.99Å; W72-Y75 HydrophobicContact CZ3-CG 4.06Å; W72-Y75 WeakPolarHBondContact O-CB 3.47Å; W72-Y75 PolarHBondContact O-N 3.1Å
73	S	96.3	Very high	97.2	Very high	106 Å²	106	69.4 Å²	69.4	74%	0.741	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.7	-179.2	34	0	0	0	0	113.7	Y75	S73-Y75 VanDerWaalsContact C-N 3.29Å
74	E	97.5	Very high	97	Very high	121 Å²	121	66.3 Å²	66.3	57%	0.565	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.2	-177.4	-57	88.6	154	0	0	112.4	Y59 W72 H76	Y59-E74 PolarHBondContact OH-O 2.94Å; Y59-E74 VanDerWaalsContact OH-O 3.08Å; W72-E74 PolarHBondContact O-N 3.39Å; E74-H76 PolarHBondContact O-N 3.47Å; E74-H76 VanDerWaalsContact O-N 3.11Å
75	Y	98.2	Very high	96.8	Very high	31 Å²	31	61.6 Å²	61.6	12%	0.122	37%	0.368	C	S	.	.			trans	-61.6	114.4	178	-177.1	-125.9	0	0	0	110.3	Y59 V61 W68 W72 S73 P77 R135 G137 D257	Y59-Y75 AromaticContact CD1-CD2 3.81Å; Y59-Y75 HydrophobicContact CD1-CD2 3.81Å; Y59-Y75 AromaticContact CD1-CE2 3.96Å; Y59-Y75 HydrophobicContact CD1-CE2 3.96Å; Y59-Y75 HydrophobicContact CE1-CD2 4.06Å; V61-Y75 HydrophobicContact CG2-CE2 3.76Å; W68-Y75 HydrophobicContact CH2-CE1 4.25Å; W68-Y75 HydrophobicContact CZ3-CE1 4.19Å; W72-Y75 HydrophobicContact CD2-CD2 4.39Å; W72-Y75 HydrophobicContact CD2-CG 4.4Å; W72-Y75 AromaticContact CE3-CD2 3.64Å; W72-Y75 HydrophobicContact CE3-CD2 3.64Å; W72-Y75 AromaticContact CE3-CG 3.84Å; W72-Y75 HydrophobicContact CE3-CG 3.84Å; W72-Y75 AromaticContact CH2-CD2 3.91Å; W72-Y75 HydrophobicContact CH2-CD2 3.91Å; W72-Y75 AromaticContact CZ3-CD2 3.36Å; W72-Y75 HydrophobicContact CZ3-CD2 3.36Å; W72-Y75 AromaticContact CZ3-CE2 3.99Å; W72-Y75 HydrophobicContact CZ3-CE2 3.99Å; W72-Y75 HydrophobicContact CZ3-CG 4.06Å; W72-Y75 WeakPolarHBondContact O-CB 3.47Å; W72-Y75 PolarHBondContact O-N 3.1Å; S73-Y75 VanDerWaalsContact C-N 3.29Å; Y75-P77 HydrophobicContact CD1-CG 4.1Å; Y75-P77 HydrophobicContact CE1-CB 3.96Å; Y75-P77 HydrophobicContact CE1-CG 3.58Å; Y75-P77 HydrophobicContact CE2-CB 4.19Å; Y75-P77 WeakPolarHBondContact O-CD 3.39Å; Y75-R135 HydrophobicContact CD1-CG 4.2Å; Y75-R135 HydrophobicContact CE1-CB 4.28Å; Y75-R135 HydrophobicContact CE1-CG 3.7Å; Y75-R135 HydrophobicContact CE2-CB 4.19Å; Y75-R135 HydrophobicContact CE2-CG 4.28Å; Y75-G137 VanDerWaalsContact OH-CA 3.26Å; Y75-G137 WeakPolarHBondContact OH-CA 3.45Å; Y75-G137 PolarHBondContact OH-N 3.29Å; Y75-D257 VanDerWaalsContact CE1-OD2 3.3Å; Y75-D257 WeakPolarHBondContact CE1-OD2 3.44Å; Y75-D257 VanDerWaalsContact OH-CG 3.26Å; Y75-D257 PolarHBondContact OH-OD1 3.25Å; Y75-D257 PolarHBondContact OH-OD2 2.67Å
76	H	97.5	Very high	96.4	Very high	148 Å²	148	61.1 Å²	61.1	69%	0.685	37%	0.372	S	S	*	.			trans	-127.9	69.7	-176	-154.4	78.1	0	0	0	110.6	Y59 E74	Y59-H76 HydrophobicContact CD2-CB 4.15Å; Y59-H76 WeakPolarHBondContact CD2-O 3.42Å; Y59-H76 HydrophobicContact CE2-CB 3.86Å; E74-H76 PolarHBondContact O-N 3.47Å; E74-H76 VanDerWaalsContact O-N 3.11Å
77	P	98.3	Very high	96.1	Very high	25 Å²	25	70.2 Å²	70.2	16%	0.162	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-60.3	146.2	-176.6	25.8	-33.5	0	0	0	111.5	Y75 G137 I139	Y75-P77 HydrophobicContact CD1-CG 4.1Å; Y75-P77 HydrophobicContact CE1-CB 3.96Å; Y75-P77 HydrophobicContact CE1-CG 3.58Å; Y75-P77 HydrophobicContact CE2-CB 4.19Å; Y75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-G137 WeakPolarHBondContact CA-O 3.45Å; P77-I139 HydrophobicContact CB-CG2 3.87Å; P77-I139 HydrophobicContact CG-CB 4.47Å; P77-I139 HydrophobicContact CG-CG1 4.42Å; P77-I139 HydrophobicContact CG-CG2 3.46Å; P77-I139 VanDerWaalsContact CG-CG2 3.46Å
78	V	98.1	Very high	95.9	Very high	54 Å²	54	72.8 Å²	72.8	33%	0.327	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	136.2	174.2	174.3	0	0	0	0	109.2	I56 Q57 G137 I138 I139	I56-V78 HydrophobicContact CG2-CG1 4.29Å; Q57-V78 WeakPolarHBondContact O-CG2 3.45Å; V78-G137 PolarHBondContact N-O 3.28Å; V78-G137 VanDerWaalsContact N-O 3.16Å; V78-I138 HydrophobicContact CB-CG1 4.33Å; V78-I138 CarbonylContact O-C 3.49Å; V78-I138 VanDerWaalsContact O-CA 3.23Å; V78-I138 WeakPolarHBondContact O-CA 3.45Å; V78-I138 WeakPolarHBondContact O-CG1 3.49Å; V78-I139 PolarHBondContact O-N 3.46Å
79	A	97.5	Very high	95.7	Very high	75 Å²	75	75.4 Å²	75.4	62%	0.62	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	119.4	173.6	0	0	0	0	0	110.4	I139	A79-I139 HydrophobicContact CB-CD1 4.06Å; A79-I139 HydrophobicContact CB-CG1 3.83Å
80	Y	98	Very high	95.4	Very high	37 Å²	37	76.6 Å²	76.6	15%	0.145	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	128.8	178	-177.2	-109.5	0	0	0	112.4	Y50 T53 I56 I138 I139 G142	Y50-Y80 AromaticContact CD1-CD1 3.84Å; Y50-Y80 HydrophobicContact CD1-CD1 3.84Å; Y50-Y80 AromaticContact CD1-CE1 3.62Å; Y50-Y80 HydrophobicContact CD1-CE1 3.62Å; Y50-Y80 HydrophobicContact CE1-CD1 4.1Å; Y50-Y80 AromaticContact CE1-CE1 3.85Å; Y50-Y80 HydrophobicContact CE1-CE1 3.85Å; Y50-Y80 HydrophobicContact CG-CD1 4.27Å; Y50-Y80 HydrophobicContact CG-CE1 4.44Å; T53-Y80 HydrophobicContact CG2-CE1 3.85Å; T53-Y80 HydrophobicContact CG2-CE2 4.3Å; T53-Y80 WeakPolarHBondContact CG2-OH 3.48Å; I56-Y80 HydrophobicContact CD1-CD2 3.85Å; I56-Y80 HydrophobicContact CD1-CE2 4.1Å; I56-Y80 HydrophobicContact CG1-CD2 3.75Å; I56-Y80 HydrophobicContact CG1-CE2 3.75Å; I56-Y80 HydrophobicContact CG1-CG 4.22Å; I56-Y80 HydrophobicContact CG2-CD1 4.23Å; I56-Y80 HydrophobicContact CG2-CD2 4.21Å; I56-Y80 HydrophobicContact CG2-CG 3.88Å; Y80-I138 HydrophobicContact CD1-CD1 4.18Å; Y80-I138 HydrophobicContact CG-CD1 4.31Å; Y80-I139 PolarHBondContact N-O 2.95Å; Y80-G142 WeakPolarHBondContact O-CA 3.28Å; Y80-G142 PolarHBondContact O-N 3.5Å
81	T	97.6	Very high	95.4	Very high	37 Å²	37	75.2 Å²	75.2	23%	0.227	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.7	166.5	-66.7	0	0	0	0	106.4	I85 R141	T81-I85 HydrophobicContact CG2-CG2 3.26Å; T81-R141 HydrophobicContact CG2-CB 4.32Å; T81-R141 PolarHBondContact OG1-N 3.36Å
82	A	96.5	Very high	95.4	Very high	18 Å²	18	70.3 Å²	70.3	15%	0.149	39%	0.389	C	S	.	.			trans	-57	131.5	-172.9	0	0	0	0	0	110.7	G84 I85 G142 V143	A82-G84 PolarHBondContact O-N 2.81Å; A82-I85 WeakPolarHBondContact O-CB 3.39Å; A82-I85 WeakPolarHBondContact O-CG2 3.33Å; A82-I85 PolarHBondContact O-N 3.22Å; A82-I85 VanDerWaalsContact O-N 3.13Å; A82-G142 WeakPolarHBondContact CB-O 3.43Å; A82-G142 PolarHBondContact N-O 3.3Å; A82-V143 HydrophobicContact CB-CG1 3.96Å
83	P	94.3	Very high	95.4	Very high	121 Å²	121	69.9 Å²	69.9	79%	0.786	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	131.6	-177.1	-27.5	34.7	0	0	0	112.5	I85	P83-I85 VanDerWaalsContact C-N 3.28Å; P83-I85 PolarHBondContact O-N 2.82Å
84	G	92.3	Very high	95.3	Very high	37 Å²	37	67.1 Å²	67.1	38%	0.381	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-1.6	177.6	0	0	0	0	0	115.4	A82 S86 K87	A82-G84 PolarHBondContact O-N 2.81Å; G84-S86 VanDerWaalsContact C-N 3.34Å; G84-S86 PolarHBondContact O-N 2.97Å; G84-K87 WeakPolarHBondContact O-CB 3.49Å; G84-K87 PolarHBondContact O-N 2.91Å; G84-K87 VanDerWaalsContact O-N 3.07Å
85	I	93.5	Very high	95.2	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.041	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-59.4	-43.6	177.4	-162.5	163.8	0	0	0	111.8	T81 A82 P83 K87 K88 W90 A91 V143 L144	T81-I85 HydrophobicContact CG2-CG2 3.26Å; A82-I85 WeakPolarHBondContact O-CB 3.39Å; A82-I85 WeakPolarHBondContact O-CG2 3.33Å; A82-I85 PolarHBondContact O-N 3.22Å; A82-I85 VanDerWaalsContact O-N 3.13Å; P83-I85 VanDerWaalsContact C-N 3.28Å; P83-I85 PolarHBondContact O-N 2.82Å; I85-K87 PolarHBondContact O-N 2.87Å; I85-K88 VanDerWaalsContact O-CB 3.28Å; I85-K88 WeakPolarHBondContact O-CB 3.29Å; I85-K88 WeakPolarHBondContact O-CG 3.26Å; I85-K88 PolarHBondContact O-N 3.27Å; I85-W90 HydrophobicContact CD1-CH2 4.1Å; I85-W90 HydrophobicContact CD1-CZ3 4.09Å; I85-W90 HydrophobicContact CG1-CH2 3.81Å; I85-W90 HydrophobicContact CG1-CZ3 3.88Å; I85-A91 HydrophobicContact CG1-CB 4.11Å; I85-A91 WeakPolarHBondContact O-CB 3.36Å; I85-V143 VanDerWaalsContact CD1-C 3.41Å; I85-V143 VanDerWaalsContact CD1-O 3.29Å; I85-V143 WeakPolarHBondContact CD1-O 3.18Å; I85-L144 WeakPolarHBondContact CD1-O 3.34Å
86	S	89.5	Confident	95	Very high	46 Å²	46	70 Å²	70	32%	0.322	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-62.7	-10.3	178	-46.7	0	0	0	0	114.1	G84 R141	G84-S86 VanDerWaalsContact C-N 3.34Å; G84-S86 PolarHBondContact O-N 2.97Å; S86-R141 PolarHBondContact OG-NH2 3.42Å
87	K	90.8	Very high	94.8	Very high	191 Å²	191	66.1 Å²	66.1	83%	0.83	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-93.5	-6.4	175.3	-59.7	-179.3	179.6	179.1	0	112.5	G84 I85	G84-K87 WeakPolarHBondContact O-CB 3.49Å; G84-K87 PolarHBondContact O-N 2.91Å; G84-K87 VanDerWaalsContact O-N 3.07Å; I85-K87 PolarHBondContact O-N 2.87Å
88	K	93.8	Very high	94.6	Very high	110 Å²	110	72.8 Å²	72.8	48%	0.478	40%	0.397	S	S	.	.	S	Bend	trans	-80.7	140.7	179.6	-60.6	-66.9	-173.7	176.2	0	109.8	I85 W90 A91	I85-K88 VanDerWaalsContact O-CB 3.28Å; I85-K88 WeakPolarHBondContact O-CB 3.29Å; I85-K88 WeakPolarHBondContact O-CG 3.26Å; I85-K88 PolarHBondContact O-N 3.27Å; K88-W90 HydrophobicContact CB-CD2 3.88Å; K88-W90 HydrophobicContact CB-CE3 4.44Å; K88-W90 HydrophobicContact CB-CG 4.31Å; K88-W90 HydrophobicContact CB-CH2 4.33Å; K88-W90 HydrophobicContact CB-CZ2 3.78Å; K88-W90 HydrophobicContact CD-CZ2 4.21Å; K88-W90 HydrophobicContact CG-CH2 4.19Å; K88-W90 HydrophobicContact CG-CZ2 3.6Å; K88-W90 PolarHBondContact O-N 2.88Å; K88-A91 HydrophobicContact CB-CB 4.07Å; K88-A91 PolarHBondContact O-N 3.43Å
89	P	92.6	Very high	94.4	Very high	127 Å²	127	77.3 Å²	77.3	83%	0.825	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.4	-177.6	26.1	-34.7	0	0	0	112.9	A91	P89-A91 VanDerWaalsContact C-N 3.33Å
90	W	90.5	Very high	94.4	Very high	130 Å²	130	74.7 Å²	74.7	49%	0.492	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.1	177	53	-107	0	0	0	113.7	I85 K88 G145 R146	I85-W90 HydrophobicContact CD1-CH2 4.1Å; I85-W90 HydrophobicContact CD1-CZ3 4.09Å; I85-W90 HydrophobicContact CG1-CH2 3.81Å; I85-W90 HydrophobicContact CG1-CZ3 3.88Å; K88-W90 HydrophobicContact CB-CD2 3.88Å; K88-W90 HydrophobicContact CB-CE3 4.44Å; K88-W90 HydrophobicContact CB-CG 4.31Å; K88-W90 HydrophobicContact CB-CH2 4.33Å; K88-W90 HydrophobicContact CB-CZ2 3.78Å; K88-W90 HydrophobicContact CD-CZ2 4.21Å; K88-W90 HydrophobicContact CG-CH2 4.19Å; K88-W90 HydrophobicContact CG-CZ2 3.6Å; K88-W90 PolarHBondContact O-N 2.88Å; W90-G145 VanDerWaalsContact CZ3-CA 3.45Å; W90-R146 VanDerWaalsContact C-NH2 3.26Å; W90-R146 PolarHBondContact O-NE 3.43Å; W90-R146 PolarHBondContact O-NH1 2.95Å; W90-R146 PolarHBondContact O-NH2 2.85Å
91	A	96.7	Very high	94.2	Very high	13 Å²	13	81.2 Å²	81.2	11%	0.107	42%	0.416	C	S	.	.	S	Bend	trans	-109.3	153.6	-179.2	0	0	0	0	0	111.4	I85 K88 P89 G145	I85-A91 HydrophobicContact CG1-CB 4.11Å; I85-A91 WeakPolarHBondContact O-CB 3.36Å; K88-A91 HydrophobicContact CB-CB 4.07Å; K88-A91 PolarHBondContact O-N 3.43Å; P89-A91 VanDerWaalsContact C-N 3.33Å; A91-G145 WeakPolarHBondContact CA-O 3.48Å
92	D	97.2	Very high	94.1	Very high	4 Å²	4	82.5 Å²	82.5	2%	0.021	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-73.2	160.8	171.5	-73.8	-17.8	0	0	0	111.5	I103 R114 R141 G145 R146 W147	D92-I103 HydrophobicContact CB-CD1 4.18Å; D92-R114 IonicContact OD1-CZ 2.7Å; D92-R114 IonicContact OD1-NH1 3.53Å; D92-R114 IonicContact OD1-NH2 2.76Å; D92-R114 PolarHBondContact OD1-NH2 3.06Å; D92-R114 IonicContact OD2-CZ 2.86Å; D92-R114 IonicContact OD2-NH1 3.33Å; D92-R114 PolarHBondContact OD2-NH1 2.68Å; D92-R114 IonicContact OD2-NH2 3.76Å; D92-R114 PolarHBondContact OD2-NH2 2.92Å; D92-R141 PolarHBondContact O-NH1 3.09Å; D92-G145 PolarHBondContact N-O 2.84Å; D92-R146 WeakPolarHBondContact OD1-CD 3.34Å; D92-R146 IonicContact OD1-CZ 3.9Å; D92-R146 IonicContact OD1-NH1 2.96Å; D92-R146 PolarHBondContact OD1-NH1 3.05Å; D92-R146 WeakPolarHBondContact OD2-CA 3.36Å; D92-W147 PolarHBondContact OD2-N 2.9Å
93	P	96.1	Very high	94.2	Very high	28 Å²	28	82.4 Å²	82.4	18%	0.182	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-62.1	161.6	167	28.6	-36.7	0	0	0	111.9	D97 K99 I103 R141 W147	P93-D97 HydrophobicContact CB-CB 3.91Å; P93-K99 HydrophobicContact CB-CB 4.14Å; P93-K99 HydrophobicContact CG-CB 3.9Å; P93-I103 HydrophobicContact CG-CD1 4.21Å; P93-R141 PolarHBondContact O-NH2 3.2Å; P93-W147 PolarHBondContact O-NE1 3.22Å
94	D	95.4	Very high	94.3	Very high	49 Å²	49	80.2 Å²	80.2	26%	0.262	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-65.7	152.4	171.1	-167.8	-93.6	0	0	0	111.4	H96 D97 Y100	D94-H96 PolarHBondContact O-N 3.44Å; D94-H96 VanDerWaalsContact O-N 3.15Å; D94-H96 IonicContact OD1-CD2 3.25Å; D94-H96 PolarHBondContact OD1-CD2 3.24Å; D94-H96 VanDerWaalsContact OD1-CD2 3.25Å; D94-H96 IonicContact OD1-CG 3.71Å; D94-H96 PolarHBondContact OD1-N 3.01Å; D94-D97 VanDerWaalsContact O-CB 3.28Å; D94-D97 WeakPolarHBondContact O-CB 3.02Å; D94-D97 PolarHBondContact O-N 3.3Å; D94-Y100 WeakPolarHBondContact O-CB 3.46Å
95	N	95	Very high	94.6	Very high	49 Å²	49	80.1 Å²	80.1	26%	0.262	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.8	-177.5	60.4	-61.4	0	0	0	113.5	Y100 L128 W147	N95-Y100 HydrophobicContact CB-CD1 4.45Å; N95-Y100 HydrophobicContact CB-CD2 4.16Å; N95-Y100 HydrophobicContact CB-CE1 4.44Å; N95-Y100 HydrophobicContact CB-CE2 4.13Å; N95-Y100 HydrophobicContact CB-CG 4.33Å; N95-L128 HydrophobicContact CB-CD2 3.6Å; N95-W147 HydrophobicContact CB-CH2 4.05Å; N95-W147 HydrophobicContact CB-CZ2 3.68Å
96	H	93.1	Very high	94.9	Very high	163 Å²	163	81.4 Å²	81.4	76%	0.755	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.9	172.5	-60.7	-64.5	0	0	0	114	D94	D94-H96 PolarHBondContact O-N 3.44Å; D94-H96 VanDerWaalsContact O-N 3.15Å; D94-H96 IonicContact OD1-CD2 3.25Å; D94-H96 PolarHBondContact OD1-CD2 3.24Å; D94-H96 VanDerWaalsContact OD1-CD2 3.25Å; D94-H96 IonicContact OD1-CG 3.71Å; D94-H96 PolarHBondContact OD1-N 3.01Å
97	D	94.1	Very high	95.2	Very high	67 Å²	67	84 Å²	84	36%	0.358	41%	0.408	S	S	.	.	S	Bend	trans	-77.5	141.2	176.6	-168.6	-55.7	0	0	0	110.5	P93 D94 K99 Y100	P93-D97 HydrophobicContact CB-CB 3.91Å; D94-D97 VanDerWaalsContact O-CB 3.28Å; D94-D97 WeakPolarHBondContact O-CB 3.02Å; D94-D97 PolarHBondContact O-N 3.3Å; D97-K99 PolarHBondContact O-N 2.94Å; D97-K99 VanDerWaalsContact OD1-CB 3.27Å; D97-K99 WeakPolarHBondContact OD1-CB 3.47Å; D97-K99 WeakPolarHBondContact OD1-CG 3.43Å; D97-K99 PolarHBondContact OD1-N 2.92Å; D97-Y100 WeakPolarHBondContact O-CB 3.4Å; D97-Y100 PolarHBondContact O-N 2.8Å
98	E	93.7	Very high	95.5	Very high	164 Å²	164	79.9 Å²	79.9	77%	0.766	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-59.2	-31.7	178.1	-66.1	-170.2	149.7	0	0	112.9	Y100 K101	E98-Y100 PolarHBondContact O-N 3.36Å; E98-K101 WeakPolarHBondContact O-CB 3.42Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 VanDerWaalsContact O-N 3.09Å
99	K	94.7	Very high	95.7	Very high	149 Å²	149	76.7 Å²	76.7	65%	0.648	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-64	-23.1	177.1	-64.1	174	-175.3	173.6	0	112.5	P93 D97 K101 A102	P93-K99 HydrophobicContact CB-CB 4.14Å; P93-K99 HydrophobicContact CG-CB 3.9Å; D97-K99 PolarHBondContact O-N 2.94Å; D97-K99 VanDerWaalsContact OD1-CB 3.27Å; D97-K99 WeakPolarHBondContact OD1-CB 3.47Å; D97-K99 WeakPolarHBondContact OD1-CG 3.43Å; D97-K99 PolarHBondContact OD1-N 2.92Å; K99-K101 PolarHBondContact O-N 2.99Å; K99-A102 WeakPolarHBondContact O-CB 2.98Å; K99-A102 PolarHBondContact O-N 3.12Å; K99-A102 VanDerWaalsContact O-N 3.17Å
100	Y	96.3	Very high	95.8	Very high	20 Å²	20	73.9 Å²	73.9	8%	0.078	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-59.4	-39.2	173.3	178.3	-96.2	0	0	0	111.6	D94 N95 D97 E98 A102 I103 F105 G127 L128 W147	D94-Y100 WeakPolarHBondContact O-CB 3.46Å; N95-Y100 HydrophobicContact CB-CD1 4.45Å; N95-Y100 HydrophobicContact CB-CD2 4.16Å; N95-Y100 HydrophobicContact CB-CE1 4.44Å; N95-Y100 HydrophobicContact CB-CE2 4.13Å; N95-Y100 HydrophobicContact CB-CG 4.33Å; D97-Y100 WeakPolarHBondContact O-CB 3.4Å; D97-Y100 PolarHBondContact O-N 2.8Å; E98-Y100 PolarHBondContact O-N 3.36Å; Y100-A102 PolarHBondContact O-N 2.96Å; Y100-A102 VanDerWaalsContact O-N 3.16Å; Y100-I103 HydrophobicContact CD2-CD1 3.8Å; Y100-I103 HydrophobicContact CE2-CD1 4.28Å; Y100-I103 HydrophobicContact CG-CD1 4.5Å; Y100-I103 VanDerWaalsContact O-CB 3.27Å; Y100-I103 WeakPolarHBondContact O-CB 3.45Å; Y100-I103 WeakPolarHBondContact O-CG1 3.35Å; Y100-I103 PolarHBondContact O-N 3.13Å; Y100-F105 HydrophobicContact CE2-CE2 4.43Å; Y100-F105 AromaticContact CE2-CZ 3.8Å; Y100-F105 HydrophobicContact CE2-CZ 3.8Å; Y100-F105 AromaticContact CZ-CE2 3.98Å; Y100-F105 AromaticContact CZ-CZ 3.74Å; Y100-F105 WeakPolarHBondContact OH-CZ 3.41Å; Y100-G127 PolarHBondContact OH-O 3.23Å; Y100-G127 VanDerWaalsContact OH-O 3.05Å; Y100-L128 HydrophobicContact CE2-CD2 4.49Å; Y100-L128 WeakPolarHBondContact OH-CD2 3.07Å; Y100-W147 AromaticContact CD2-CD1 3.79Å; Y100-W147 HydrophobicContact CD2-CG 4.45Å; Y100-W147 AromaticContact CD2-NE1 3.64Å; Y100-W147 HydrophobicContact CE2-CB 4.47Å; Y100-W147 AromaticContact CE2-CD1 3.54Å; Y100-W147 AromaticContact CE2-CD2 3.97Å; Y100-W147 HydrophobicContact CE2-CD2 3.97Å; Y100-W147 AromaticContact CE2-CE2 3.88Å; Y100-W147 AromaticContact CE2-CG 3.77Å; Y100-W147 HydrophobicContact CE2-CG 3.77Å; Y100-W147 AromaticContact CE2-NE1 3.6Å
101	K	94.8	Very high	96	Very high	174 Å²	174	73.5 Å²	73.5	76%	0.757	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18.8	-179.9	-60.1	178.3	-177.5	171.8	0	113.1	E98 K99	E98-K101 WeakPolarHBondContact O-CB 3.42Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 VanDerWaalsContact O-N 3.09Å; K99-K101 PolarHBondContact O-N 2.99Å
102	A	95.9	Very high	96	Very high	65 Å²	65	74.3 Å²	74.3	54%	0.537	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-81.5	-16.7	175.5	0	0	0	0	0	112.7	K99 Y100 Q104	K99-A102 WeakPolarHBondContact O-CB 2.98Å; K99-A102 PolarHBondContact O-N 3.12Å; K99-A102 VanDerWaalsContact O-N 3.17Å; Y100-A102 PolarHBondContact O-N 2.96Å; Y100-A102 VanDerWaalsContact O-N 3.16Å; A102-Q104 PolarHBondContact O-N 2.79Å; A102-Q104 PolarHBondContact O-NE2 2.82Å
103	I	97.5	Very high	95.9	Very high	15 Å²	15	77.2 Å²	77.2	8%	0.077	40%	0.401	C	S	.	.			trans	-60.5	129.5	-178	-66.6	177.8	0	0	0	110.5	D92 P93 Y100 F105	D92-I103 HydrophobicContact CB-CD1 4.18Å; P93-I103 HydrophobicContact CG-CD1 4.21Å; Y100-I103 HydrophobicContact CD2-CD1 3.8Å; Y100-I103 HydrophobicContact CE2-CD1 4.28Å; Y100-I103 HydrophobicContact CG-CD1 4.5Å; Y100-I103 VanDerWaalsContact O-CB 3.27Å; Y100-I103 WeakPolarHBondContact O-CB 3.45Å; Y100-I103 WeakPolarHBondContact O-CG1 3.35Å; Y100-I103 PolarHBondContact O-N 3.13Å; I103-F105 HydrophobicContact CB-CE1 4.5Å; I103-F105 HydrophobicContact CB-CE2 4.19Å; I103-F105 HydrophobicContact CB-CZ 4.07Å; I103-F105 HydrophobicContact CD1-CZ 4.49Å; I103-F105 HydrophobicContact CG2-CD1 3.78Å; I103-F105 HydrophobicContact CG2-CD2 4.13Å; I103-F105 HydrophobicContact CG2-CE1 3.48Å; I103-F105 VanDerWaalsContact CG2-CE1 3.48Å; I103-F105 HydrophobicContact CG2-CE2 3.86Å; I103-F105 HydrophobicContact CG2-CG 4.09Å; I103-F105 HydrophobicContact CG2-CZ 3.51Å; I103-F105 PolarHBondContact O-N 2.89Å
104	Q	97.8	Very high	96	Very high	75 Å²	75	76.4 Å²	76.4	35%	0.35	39%	0.394	S	S	.	.			trans	-100.5	82.8	-178.3	-69	-49.4	-66.6	0	0	111.3	A102 K107 D109 R114	A102-Q104 PolarHBondContact O-N 2.79Å; A102-Q104 PolarHBondContact O-NE2 2.82Å; Q104-K107 HydrophobicContact CB-CD 4.36Å; Q104-K107 HydrophobicContact CB-CG 4.12Å; Q104-D109 HydrophobicContact CB-CB 3.88Å; Q104-D109 PolarHBondContact N-OD2 2.93Å; Q104-R114 WeakPolarHBondContact O-CD 3.21Å
105	F	98.3	Very high	96.1	Very high	36 Å²	36	76.2 Å²	76.2	16%	0.158	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	157.8	179.8	-62.7	-68	0	0	0	114	Y100 I103 K107 Y121 F123 P129 W147	Y100-F105 HydrophobicContact CE2-CE2 4.43Å; Y100-F105 AromaticContact CE2-CZ 3.8Å; Y100-F105 HydrophobicContact CE2-CZ 3.8Å; Y100-F105 AromaticContact CZ-CE2 3.98Å; Y100-F105 AromaticContact CZ-CZ 3.74Å; Y100-F105 WeakPolarHBondContact OH-CZ 3.41Å; I103-F105 HydrophobicContact CB-CE1 4.5Å; I103-F105 HydrophobicContact CB-CE2 4.19Å; I103-F105 HydrophobicContact CB-CZ 4.07Å; I103-F105 HydrophobicContact CD1-CZ 4.49Å; I103-F105 HydrophobicContact CG2-CD1 3.78Å; I103-F105 HydrophobicContact CG2-CD2 4.13Å; I103-F105 HydrophobicContact CG2-CE1 3.48Å; I103-F105 VanDerWaalsContact CG2-CE1 3.48Å; I103-F105 HydrophobicContact CG2-CE2 3.86Å; I103-F105 HydrophobicContact CG2-CG 4.09Å; I103-F105 HydrophobicContact CG2-CZ 3.51Å; I103-F105 PolarHBondContact O-N 2.89Å; F105-K107 PolarHBondContact O-N 2.91Å; F105-Y121 HydrophobicContact CB-CE2 3.97Å; F105-Y121 HydrophobicContact CD1-CE2 4.15Å; F105-Y121 HydrophobicContact CG-CE2 4.36Å; F105-F123 HydrophobicContact CB-CE1 3.65Å; F105-F123 HydrophobicContact CB-CZ 3.46Å; F105-F123 VanDerWaalsContact CB-CZ 3.46Å; F105-F123 HydrophobicContact CD1-CE1 4.32Å; F105-F123 HydrophobicContact CD2-CD1 4.46Å; F105-F123 AromaticContact CD2-CE1 3.53Å; F105-F123 HydrophobicContact CD2-CE1 3.53Å; F105-F123 HydrophobicContact CD2-CZ 4.13Å; F105-F123 HydrophobicContact CE2-CE1 4.25Å; F105-F123 AromaticContact CG-CE1 3.57Å; F105-F123 HydrophobicContact CG-CE1 3.57Å; F105-F123 AromaticContact CG-CZ 3.96Å; F105-F123 HydrophobicContact CG-CZ 3.96Å; F105-P129 HydrophobicContact CD1-CG 3.82Å; F105-P129 HydrophobicContact CE1-CG 3.48Å; F105-P129 VanDerWaalsContact CE1-CG 3.48Å; F105-P129 HydrophobicContact CZ-CG 3.93Å; F105-W147 HydrophobicContact CE1-CB 3.78Å; F105-W147 HydrophobicContact CZ-CB 4.16Å
106	N	98.4	Very high	96.3	Very high	34 Å²	34	74.4 Å²	74.4	18%	0.182	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	21.1	178.9	-73.2	-62	0	0	0	115.4	R114 Q120 Y121 F123	N106-R114 PolarHBondContact N-O 3.23Å; N106-Q120 HydrophobicContact CB-CG 4.48Å; N106-Q120 VanDerWaalsContact OD1-CA 3.3Å; N106-Q120 WeakPolarHBondContact OD1-CA 3.45Å; N106-Y121 PolarHBondContact N-OH 3.45Å; N106-Y121 PolarHBondContact ND2-O 2.66Å; N106-Y121 WeakPolarHBondContact OD1-CD1 3.24Å; N106-Y121 WeakPolarHBondContact OD1-CE1 3.21Å; N106-Y121 PolarHBondContact OD1-N 2.84Å; N106-F123 WeakPolarHBondContact ND2-CZ 3.49Å
107	K	97.6	Very high	96.5	Very high	102 Å²	102	69.6 Å²	69.6	44%	0.443	36%	0.363	S	S	.	.	S	Bend	trans	-152.3	174.2	176.6	62.2	-171.5	175.8	-171.7	0	111.8	Q104 F105 D109 R114	Q104-K107 HydrophobicContact CB-CD 4.36Å; Q104-K107 HydrophobicContact CB-CG 4.12Å; F105-K107 PolarHBondContact O-N 2.91Å; K107-D109 PolarHBondContact O-N 2.64Å; K107-R114 WeakPolarHBondContact O-CA 3.32Å; K107-R114 WeakPolarHBondContact O-CB 3.5Å; K107-R114 PolarHBondContact O-N 2.67Å; K107-R114 VanDerWaalsContact O-N 3.12Å
108	I	96.7	Very high	96.7	Very high	104 Å²	104	70.4 Å²	70.4	53%	0.533	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.5	167.9	-51.8	-55.9	0	0	0	108.5	D113 T115	I108-D113 HydrophobicContact CD1-CB 3.78Å; I108-D113 VanDerWaalsContact CD1-OD1 3.23Å; I108-D113 WeakPolarHBondContact CD1-OD1 3.43Å; I108-T115 HydrophobicContact CD1-CG2 4.33Å
109	D	96.6	Very high	96.8	Very high	42 Å²	42	64.6 Å²	64.6	23%	0.225	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	84.9	-178	-174.6	17	0	0	0	109.7	Q104 K107 I111 L112 R114	Q104-D109 HydrophobicContact CB-CB 3.88Å; Q104-D109 PolarHBondContact N-OD2 2.93Å; K107-D109 PolarHBondContact O-N 2.64Å; D109-I111 PolarHBondContact O-N 3.5Å; D109-I111 VanDerWaalsContact O-N 3.15Å; D109-L112 PolarHBondContact N-O 2.82Å; D109-L112 PolarHBondContact O-N 3.34Å; D109-R114 HydrophobicContact CB-CG 4.05Å; D109-R114 IonicContact OD2-CZ 2.82Å; D109-R114 IonicContact OD2-NE 3.51Å; D109-R114 PolarHBondContact OD2-NE 2.73Å; D109-R114 IonicContact OD2-NH2 2.75Å
110	G	95.7	Very high	97	Very high	69 Å²	69	65.7 Å²	65.7	71%	0.711	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-112.8	-172.6	0	0	0	0	0	111.4
111	I	95.2	Very high	97.1	Very high	121 Å²	121	65.1 Å²	65.1	62%	0.621	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.6	177.5	64.8	171.8	0	0	0	113.2	D109 A201 G202	D109-I111 PolarHBondContact O-N 3.5Å; D109-I111 VanDerWaalsContact O-N 3.15Å; I111-A201 HydrophobicContact CD1-CB 3.76Å; I111-A201 HydrophobicContact CG1-CB 4.19Å; I111-G202 WeakPolarHBondContact O-CA 3.34Å; I111-G202 PolarHBondContact O-N 3.21Å
112	L	95.4	Very high	97.3	Very high	31 Å²	31	64.4 Å²	64.4	16%	0.162	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.6	-178.5	-64.4	174.7	0	0	0	110.1	D109 R114 A201	D109-L112 PolarHBondContact N-O 2.82Å; D109-L112 PolarHBondContact O-N 3.34Å; L112-R114 HydrophobicContact CB-CG 4.49Å; L112-R114 PolarHBondContact O-N 3.41Å; L112-A201 HydrophobicContact CD2-CB 3.57Å
113	D	96.5	Very high	97.4	Very high	65 Å²	65	65.3 Å²	65.3	35%	0.348	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.2	165.8	-168.3	-10.4	0	0	0	109.1	I108 T115 H151	I108-D113 HydrophobicContact CD1-CB 3.78Å; I108-D113 VanDerWaalsContact CD1-OD1 3.23Å; I108-D113 WeakPolarHBondContact CD1-OD1 3.43Å; D113-T115 VanDerWaalsContact OD1-CB 3.28Å; D113-T115 WeakPolarHBondContact OD1-CB 3.4Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.21Å; D113-T115 PolarHBondContact OD1-N 3.15Å; D113-T115 PolarHBondContact OD1-OG1 2.82Å; D113-T115 PolarHBondContact OD2-OG1 3.34Å; D113-H151 PolarHBondContact O-CD2 2.79Å
114	R	97.8	Very high	97.3	Very high	11 Å²	11	66.1 Å²	66.1	4%	0.042	35%	0.35	C	S	.	.			trans	-113.6	11	173.9	-53.6	-178	175.8	-81.4	3.5	111.8	D92 Q104 N106 K107 D109 L112 Y121	D92-R114 IonicContact OD1-CZ 2.7Å; D92-R114 IonicContact OD1-NH1 3.53Å; D92-R114 IonicContact OD1-NH2 2.76Å; D92-R114 PolarHBondContact OD1-NH2 3.06Å; D92-R114 IonicContact OD2-CZ 2.86Å; D92-R114 IonicContact OD2-NH1 3.33Å; D92-R114 PolarHBondContact OD2-NH1 2.68Å; D92-R114 IonicContact OD2-NH2 3.76Å; D92-R114 PolarHBondContact OD2-NH2 2.92Å; Q104-R114 WeakPolarHBondContact O-CD 3.21Å; N106-R114 PolarHBondContact N-O 3.23Å; K107-R114 WeakPolarHBondContact O-CA 3.32Å; K107-R114 WeakPolarHBondContact O-CB 3.5Å; K107-R114 PolarHBondContact O-N 2.67Å; K107-R114 VanDerWaalsContact O-N 3.12Å; D109-R114 HydrophobicContact CB-CG 4.05Å; D109-R114 IonicContact OD2-CZ 2.82Å; D109-R114 IonicContact OD2-NE 3.51Å; D109-R114 PolarHBondContact OD2-NE 2.73Å; D109-R114 IonicContact OD2-NH2 2.75Å; L112-R114 HydrophobicContact CB-CG 4.49Å; L112-R114 PolarHBondContact O-N 3.41Å; R114-Y121 VanDerWaalsContact O-CE1 3.28Å; R114-Y121 WeakPolarHBondContact O-CE1 3.33Å; R114-Y121 PolarHBondContact O-OH 3.5Å
115	T	98	Very high	97.1	Very high	44 Å²	44	69.2 Å²	69.2	27%	0.27	38%	0.375	S	S	.	.			trans	-71.9	156.9	170.7	69.4	0	0	0	0	109.7	I108 D113 P149 H151	I108-T115 HydrophobicContact CD1-CG2 4.33Å; D113-T115 VanDerWaalsContact OD1-CB 3.28Å; D113-T115 WeakPolarHBondContact OD1-CB 3.4Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.21Å; D113-T115 PolarHBondContact OD1-N 3.15Å; D113-T115 PolarHBondContact OD1-OG1 2.82Å; D113-T115 PolarHBondContact OD2-OG1 3.34Å; T115-P149 WeakPolarHBondContact O-CG 3.43Å; T115-H151 PolarHBondContact O-CE1 3.21Å; T115-H151 PolarHBondContact O-NE2 2.98Å
116	S	98.4	Very high	96.8	Very high	12 Å²	12	73.8 Å²	73.8	8%	0.084	40%	0.401	C	S	.	.			trans	-114.4	141.7	173	165.5	0	0	0	0	109.1	M118 G119 E262	S116-M118 PolarHBondContact O-N 2.99Å; S116-M118 WeakPolarHBondContact OG-CB 3.48Å; S116-M118 PolarHBondContact OG-N 2.8Å; S116-G119 WeakPolarHBondContact CB-O 3.43Å; S116-G119 PolarHBondContact O-N 3.32Å; S116-E262 WeakPolarHBondContact CA-OE2 3.17Å; S116-E262 VanDerWaalsContact CB-OE1 3.28Å; S116-E262 WeakPolarHBondContact CB-OE1 3.43Å; S116-E262 PolarHBondContact OG-OE1 2.82Å
117	F	97.8	Very high	96.7	Very high	61 Å²	61	73.6 Å²	73.6	27%	0.268	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-12.9	170.6	-58.2	-33.2	0	0	0	112.3	G119 H151 K247 E262 V264	F117-G119 VanDerWaalsContact C-N 3.32Å; F117-H151 AromaticContact CE2-ND1 3.73Å; F117-H151 AromaticContact CZ-ND1 3.79Å; F117-K247 HydrophobicContact CB-CG 4.15Å; F117-K247 HydrophobicContact CD1-CD 4.24Å; F117-K247 HydrophobicContact CD1-CG 3.95Å; F117-K247 HydrophobicContact CD2-CG 3.62Å; F117-K247 HydrophobicContact CE1-CD 4.32Å; F117-K247 HydrophobicContact CE1-CG 4.27Å; F117-K247 HydrophobicContact CE2-CG 3.95Å; F117-K247 HydrophobicContact CG-CD 4.4Å; F117-K247 HydrophobicContact CG-CG 3.62Å; F117-K247 HydrophobicContact CZ-CG 4.27Å; F117-E262 WeakPolarHBondContact CB-OE2 3.37Å; F117-E262 HydrophobicContact CD2-CB 3.99Å; F117-E262 WeakPolarHBondContact CD2-OE2 3.2Å; F117-E262 HydrophobicContact CE2-CB 4.3Å; F117-E262 WeakPolarHBondContact CG-OE2 3.48Å; F117-E262 PolarHBondContact N-OE2 3Å; F117-V264 HydrophobicContact CE2-CG2 3.69Å; F117-V264 HydrophobicContact CZ-CG2 3.7Å
118	M	96.9	Very high	96.7	Very high	85 Å²	85	69.4 Å²	69.4	42%	0.419	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	2.8	173	-60.1	-66.6	-56.7	0	0	113.3	S116 P132	S116-M118 PolarHBondContact O-N 2.99Å; S116-M118 WeakPolarHBondContact OG-CB 3.48Å; S116-M118 PolarHBondContact OG-N 2.8Å; M118-P132 HydrophobicContact CB-CB 4.16Å; M118-P132 HydrophobicContact CB-CG 4.19Å; M118-P132 HydrophobicContact CG-CB 4.46Å; M118-P132 HydrophobicContact CG-CG 4.1Å
119	G	97.4	Very high	96.8	Very high	42 Å²	42	64.5 Å²	64.5	43%	0.433	36%	0.364	S	S	.	.	S	Bend	trans	87.8	-161.1	-173.3	0	0	0	0	0	112.6	S116 F117 Y121	S116-G119 WeakPolarHBondContact CB-O 3.43Å; S116-G119 PolarHBondContact O-N 3.32Å; F117-G119 VanDerWaalsContact C-N 3.32Å; G119-Y121 PolarHBondContact O-N 3.3Å
120	Q	98.3	Very high	96.9	Very high	171 Å²	171	63.8 Å²	63.8	80%	0.799	36%	0.36	S	S	*	.	S	Bend	trans	-70.2	117.6	-176.9	-69.3	-173.2	-17.2	0	0	111.4	N106	N106-Q120 HydrophobicContact CB-CG 4.48Å; N106-Q120 VanDerWaalsContact OD1-CA 3.3Å; N106-Q120 WeakPolarHBondContact OD1-CA 3.45Å
121	Y	98.4	Very high	97.1	Very high	8 Å²	8	60.5 Å²	60.5	3%	0.031	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-81.1	152.2	172.2	51.2	-96	0	0	0	111.3	F105 N106 R114 G119 F123 P129 P149 W260	F105-Y121 HydrophobicContact CB-CE2 3.97Å; F105-Y121 HydrophobicContact CD1-CE2 4.15Å; F105-Y121 HydrophobicContact CG-CE2 4.36Å; N106-Y121 PolarHBondContact N-OH 3.45Å; N106-Y121 PolarHBondContact ND2-O 2.66Å; N106-Y121 WeakPolarHBondContact OD1-CD1 3.24Å; N106-Y121 WeakPolarHBondContact OD1-CE1 3.21Å; N106-Y121 PolarHBondContact OD1-N 2.84Å; R114-Y121 VanDerWaalsContact O-CE1 3.28Å; R114-Y121 WeakPolarHBondContact O-CE1 3.33Å; R114-Y121 PolarHBondContact O-OH 3.5Å; G119-Y121 PolarHBondContact O-N 3.3Å; Y121-F123 HydrophobicContact CD2-CE1 4.33Å; Y121-F123 HydrophobicContact CD2-CZ 4.21Å; Y121-F123 HydrophobicContact CE2-CE1 4Å; Y121-F123 AromaticContact CE2-CZ 3.94Å; Y121-F123 HydrophobicContact CE2-CZ 3.94Å; Y121-P129 HydrophobicContact CD2-CB 3.96Å; Y121-P129 HydrophobicContact CE2-CB 3.95Å; Y121-P129 HydrophobicContact CE2-CG 4.18Å; Y121-P149 HydrophobicContact CE1-CG 3.98Å; Y121-W260 AromaticContact CD1-CH2 3.97Å; Y121-W260 HydrophobicContact CD1-CH2 3.97Å; Y121-W260 AromaticContact CD1-CZ2 3.71Å; Y121-W260 HydrophobicContact CD1-CZ2 3.71Å; Y121-W260 AromaticContact CD2-CH2 3.97Å; Y121-W260 HydrophobicContact CD2-CH2 3.97Å; Y121-W260 HydrophobicContact CE1-CZ2 4.31Å; Y121-W260 AromaticContact CG-CH2 3.65Å; Y121-W260 HydrophobicContact CG-CH2 3.65Å; Y121-W260 AromaticContact CG-CZ2 3.84Å; Y121-W260 HydrophobicContact CG-CZ2 3.84Å
122	K	98.4	Very high	97.2	Very high	159 Å²	159	57 Å²	57	69%	0.691	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-88	173.7	-178	-64.1	-178.9	-180	179.4	0	111	P129 L130	K122-P129 CarbonylContact O-C 3.26Å; K122-L130 HydrophobicContact CB-CD1 4.36Å; K122-L130 PolarHBondContact O-N 3.15Å
123	F	98.3	Very high	97.3	Very high	85 Å²	85	59 Å²	59	37%	0.373	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-123.3	151	177.5	-57	-86.6	0	0	0	110.9	F105 N106 Y121 G127 L128 P129 L130	F105-F123 HydrophobicContact CB-CE1 3.65Å; F105-F123 HydrophobicContact CB-CZ 3.46Å; F105-F123 VanDerWaalsContact CB-CZ 3.46Å; F105-F123 HydrophobicContact CD1-CE1 4.32Å; F105-F123 HydrophobicContact CD2-CD1 4.46Å; F105-F123 AromaticContact CD2-CE1 3.53Å; F105-F123 HydrophobicContact CD2-CE1 3.53Å; F105-F123 HydrophobicContact CD2-CZ 4.13Å; F105-F123 HydrophobicContact CE2-CE1 4.25Å; F105-F123 AromaticContact CG-CE1 3.57Å; F105-F123 HydrophobicContact CG-CE1 3.57Å; F105-F123 AromaticContact CG-CZ 3.96Å; F105-F123 HydrophobicContact CG-CZ 3.96Å; N106-F123 WeakPolarHBondContact ND2-CZ 3.49Å; Y121-F123 HydrophobicContact CD2-CE1 4.33Å; Y121-F123 HydrophobicContact CD2-CZ 4.21Å; Y121-F123 HydrophobicContact CE2-CE1 4Å; Y121-F123 AromaticContact CE2-CZ 3.94Å; Y121-F123 HydrophobicContact CE2-CZ 3.94Å; F123-G127 WeakPolarHBondContact CD1-O 3.36Å; F123-L128 CarbonylContact C-O 3.59Å; F123-L128 WeakPolarHBondContact CA-O 3.27Å; F123-P129 HydrophobicContact CD1-CG 4.49Å; F123-P129 HydrophobicContact CE1-CG 4.27Å; F123-L130 WeakPolarHBondContact O-CD1 3.45Å
124	S	96.2	Very high	97.4	Very high	31 Å²	31	55.9 Å²	55.9	22%	0.217	30%	0.3	C	S	.	.			trans	-68.8	169.5	165.4	71.3	0	0	0	0	110.1	D126 G127 L128	S124-D126 PolarHBondContact O-N 3.28Å; S124-D126 VanDerWaalsContact O-N 3.16Å; S124-D126 PolarHBondContact OG-N 2.8Å; S124-G127 PolarHBondContact O-N 3.27Å; S124-L128 PolarHBondContact N-O 3.11Å; S124-L128 PolarHBondContact OG-N 2.98Å; S124-L128 VanDerWaalsContact OG-N 3.17Å
125	T	93.4	Very high	97.4	Very high	141 Å²	141	56.1 Å²	56.1	87%	0.865	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.8	172.2	48.1	0	0	0	0	112.7	G127	T125-G127 VanDerWaalsContact C-N 3.28Å; T125-G127 PolarHBondContact O-N 3.42Å
126	D	91.8	Very high	97.4	Very high	132 Å²	132	54 Å²	54	71%	0.706	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	8.2	-177.3	-49.2	-21.9	0	0	0	111.9	S124	S124-D126 PolarHBondContact O-N 3.28Å; S124-D126 VanDerWaalsContact O-N 3.16Å; S124-D126 PolarHBondContact OG-N 2.8Å
127	G	96.1	Very high	97.5	Very high	30 Å²	30	53.5 Å²	53.5	31%	0.309	28%	0.284	S	S	.	.	S	Bend	trans	82.6	6.8	175.3	0	0	0	0	0	115.3	Y100 F123 S124 T125	Y100-G127 PolarHBondContact OH-O 3.23Å; Y100-G127 VanDerWaalsContact OH-O 3.05Å; F123-G127 WeakPolarHBondContact CD1-O 3.36Å; S124-G127 PolarHBondContact O-N 3.27Å; T125-G127 VanDerWaalsContact C-N 3.28Å; T125-G127 PolarHBondContact O-N 3.42Å
128	L	98.1	Very high	97.5	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.073	27%	0.272	C	S	.	.			trans	-80	139.9	178.4	-58.6	170.9	0	0	0	110.7	N95 Y100 F123 S124 W147 N258	N95-L128 HydrophobicContact CB-CD2 3.6Å; Y100-L128 HydrophobicContact CE2-CD2 4.49Å; Y100-L128 WeakPolarHBondContact OH-CD2 3.07Å; F123-L128 CarbonylContact C-O 3.59Å; F123-L128 WeakPolarHBondContact CA-O 3.27Å; S124-L128 PolarHBondContact N-O 3.11Å; S124-L128 PolarHBondContact OG-N 2.98Å; S124-L128 VanDerWaalsContact OG-N 3.17Å; L128-W147 HydrophobicContact CD2-CE3 4.15Å; L128-W147 HydrophobicContact CD2-CH2 3.95Å; L128-W147 HydrophobicContact CD2-CZ3 3.75Å; L128-N258 HydrophobicContact CB-CB 4.44Å; L128-N258 WeakPolarHBondContact CB-ND2 3.26Å
129	P	98.7	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-52.9	144	170.9	-26.5	35.6	0	0	0	111.2	F105 Y121 K122 F123 W147 D257 N258 W260	F105-P129 HydrophobicContact CD1-CG 3.82Å; F105-P129 HydrophobicContact CE1-CG 3.48Å; F105-P129 VanDerWaalsContact CE1-CG 3.48Å; F105-P129 HydrophobicContact CZ-CG 3.93Å; Y121-P129 HydrophobicContact CD2-CB 3.96Å; Y121-P129 HydrophobicContact CE2-CB 3.95Å; Y121-P129 HydrophobicContact CE2-CG 4.18Å; K122-P129 CarbonylContact O-C 3.26Å; F123-P129 HydrophobicContact CD1-CG 4.49Å; F123-P129 HydrophobicContact CE1-CG 4.27Å; P129-W147 HydrophobicContact CG-CB 4.19Å; P129-D257 VanDerWaalsContact O-O 3.13Å; P129-N258 VanDerWaalsContact O-CA 3.24Å; P129-N258 WeakPolarHBondContact O-CA 3.31Å; P129-N258 PolarHBondContact O-ND2 3.49Å; P129-W260 HydrophobicContact CB-CH2 4.07Å; P129-W260 HydrophobicContact CB-CZ3 4.01Å
130	L	98.7	Very high	97.6	Very high	28 Å²	28	47.6 Å²	47.6	15%	0.147	25%	0.249	C	C	.	.			trans	-108.1	126.8	172.8	-68.7	177.2	0	0	0	109.5	W68 K122 F123 D257	W68-L130 HydrophobicContact CD2-CD1 4.47Å; W68-L130 HydrophobicContact CD2-CD2 4.48Å; W68-L130 HydrophobicContact CH2-CD2 3.88Å; W68-L130 HydrophobicContact CZ2-CB 4.48Å; W68-L130 HydrophobicContact CZ2-CD2 3.83Å; W68-L130 HydrophobicContact CZ3-CD2 4.23Å; K122-L130 HydrophobicContact CB-CD1 4.36Å; K122-L130 PolarHBondContact O-N 3.15Å; F123-L130 WeakPolarHBondContact O-CD1 3.45Å; L130-D257 CarbonylContact C-O 3.5Å; L130-D257 WeakPolarHBondContact CA-O 3.4Å
131	N	98.7	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.			trans	-52	121.9	176.7	-178.3	-36.1	0	0	0	109.9	W68 R133 G134 Y249 T256 D257 W260	W68-N131 PolarHBondContact NE1-O 2.88Å; N131-R133 PolarHBondContact O-N 3.16Å; N131-R133 PolarHBondContact OD1-N 3.39Å; N131-G134 PolarHBondContact O-N 3.44Å; N131-Y249 PolarHBondContact ND2-OH 3.5Å; N131-Y249 WeakPolarHBondContact OD1-CE2 3.44Å; N131-T256 WeakPolarHBondContact CB-O 3.25Å; N131-T256 PolarHBondContact ND2-O 3.47Å; N131-D257 PolarHBondContact N-O 2.94Å; N131-W260 HydrophobicContact CB-CE3 3.93Å; N131-W260 HydrophobicContact CB-CZ3 4.35Å
132	P	97.9	Very high	97.6	Very high	47 Å²	47	39.1 Å²	39.1	31%	0.305	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.2	-172.4	25.8	-34.9	0	0	0	112.9	M118 Y249 W260	M118-P132 HydrophobicContact CB-CB 4.16Å; M118-P132 HydrophobicContact CB-CG 4.19Å; M118-P132 HydrophobicContact CG-CB 4.46Å; M118-P132 HydrophobicContact CG-CG 4.1Å; P132-Y249 HydrophobicContact CG-CD2 4.13Å; P132-W260 VanDerWaalsContact CD-CZ2 3.42Å; P132-W260 HydrophobicContact CG-CD2 4.49Å; P132-W260 HydrophobicContact CG-CZ2 4.07Å
133	R	97.5	Very high	97.5	Very high	72 Å²	72	32.5 Å²	32.5	27%	0.272	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-5.5	178.1	-62.9	-65.2	-71.1	-164.6	-7.7	114.8	N40 V66 N131 Y249	N40-R133 PolarHBondContact O-NH2 2.94Å; V66-R133 WeakPolarHBondContact CG1-O 3.36Å; N131-R133 PolarHBondContact O-N 3.16Å; N131-R133 PolarHBondContact OD1-N 3.39Å; R133-Y249 HydrophobicContact CB-CD1 4.47Å; R133-Y249 HydrophobicContact CB-CE1 4.06Å; R133-Y249 HydrophobicContact CB-CE2 4.1Å; R133-Y249 HydrophobicContact CG-CD1 3.49Å; R133-Y249 VanDerWaalsContact CG-CD1 3.49Å; R133-Y249 HydrophobicContact CG-CD2 3.71Å; R133-Y249 HydrophobicContact CG-CE1 3.57Å; R133-Y249 HydrophobicContact CG-CE2 3.77Å; R133-Y249 HydrophobicContact CG-CG 3.56Å
134	G	98.1	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.			trans	118.6	-167.6	174.4	0	0	0	0	0	114.8	H42 V66 N131	H42-G134 PolarHBondContact CE1-O 2.99Å; V66-G134 CarbonylContact O-C 3.46Å; V66-G134 WeakPolarHBondContact O-CA 3.29Å; N131-G134 PolarHBondContact O-N 3.44Å
135	R	98.7	Very high	97.5	Very high	17 Å²	17	27.6 Å²	27.6	6%	0.064	16%	0.159	C	C	.	.			trans	-67.6	137.9	178.5	-69	-180	-174.2	90.3	1.1	111.8	H42 V61 K65 V66 S67 W68 V70 Y75	H42-R135 PolarHBondContact NE2-O 3.43Å; V61-R135 HydrophobicContact CG1-CB 3.92Å; V61-R135 HydrophobicContact CG2-CB 4.11Å; K65-R135 WeakPolarHBondContact O-CD 3.28Å; K65-R135 PolarHBondContact O-NH1 2.84Å; V66-R135 PolarHBondContact O-N 2.97Å; S67-R135 PolarHBondContact O-NH1 2.73Å; W68-R135 HydrophobicContact CD2-CG 4.19Å; W68-R135 HydrophobicContact CE3-CG 3.66Å; W68-R135 HydrophobicContact CH2-CB 4.31Å; W68-R135 HydrophobicContact CH2-CG 3.48Å; W68-R135 VanDerWaalsContact CH2-CG 3.48Å; W68-R135 HydrophobicContact CZ2-CG 4.01Å; W68-R135 HydrophobicContact CZ3-CG 3.29Å; V70-R135 PolarHBondContact O-NH1 3.1Å; V70-R135 PolarHBondContact O-NH2 3.07Å; Y75-R135 HydrophobicContact CD1-CG 4.2Å; Y75-R135 HydrophobicContact CE1-CB 4.28Å; Y75-R135 HydrophobicContact CE1-CG 3.7Å; Y75-R135 HydrophobicContact CE2-CB 4.19Å; Y75-R135 HydrophobicContact CE2-CG 4.28Å
136	T	98.7	Very high	97.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.125	C	C	.	.			trans	-117.3	-7.1	179.7	70.3	0	0	0	0	113	R58 I138 T256 D257	R58-T136 WeakPolarHBondContact CD-O 3.42Å; R58-T136 PolarHBondContact NH1-O 2.85Å; R58-T136 PolarHBondContact NH1-OG1 2.82Å; T136-I138 PolarHBondContact OG1-O 2.49Å; T136-T256 WeakPolarHBondContact CG2-O 3.24Å; T136-T256 VanDerWaalsContact OG1-CA 3.31Å; T136-T256 WeakPolarHBondContact OG1-CA 3.39Å; T136-D257 WeakPolarHBondContact CA-OD1 3.46Å; T136-D257 WeakPolarHBondContact CB-OD1 3.3Å; T136-D257 PolarHBondContact N-OD1 3.16Å; T136-D257 PolarHBondContact OG1-N 3.23Å; T136-D257 PolarHBondContact OG1-OD1 2.76Å
137	G	98.6	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	84.7	5.5	-177.1	0	0	0	0	0	114.6	Y59 Y75 P77 V78	Y59-G137 WeakPolarHBondContact CB-O 3.15Å; Y59-G137 PolarHBondContact N-O 3.24Å; Y59-G137 VanDerWaalsContact O-CA 3.23Å; Y59-G137 WeakPolarHBondContact O-CA 3.28Å; Y75-G137 VanDerWaalsContact OH-CA 3.26Å; Y75-G137 WeakPolarHBondContact OH-CA 3.45Å; Y75-G137 PolarHBondContact OH-N 3.29Å; P77-G137 WeakPolarHBondContact CA-O 3.45Å; V78-G137 PolarHBondContact N-O 3.28Å; V78-G137 VanDerWaalsContact N-O 3.16Å
138	I	98.7	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.7	-178.6	-152.8	176.2	0	0	0	110.8	Y50 I56 R58 V78 Y80 T136 T256 D257	Y50-I138 HydrophobicContact CD2-CD1 3.57Å; Y50-I138 HydrophobicContact CD2-CG2 4.42Å; Y50-I138 HydrophobicContact CE2-CD1 4.23Å; Y50-I138 HydrophobicContact CE2-CG2 4.45Å; Y50-I138 HydrophobicContact CG-CD1 3.98Å; I56-I138 HydrophobicContact CG2-CD1 3.83Å; R58-I138 HydrophobicContact CG-CB 4.33Å; V78-I138 HydrophobicContact CB-CG1 4.33Å; V78-I138 CarbonylContact O-C 3.49Å; V78-I138 VanDerWaalsContact O-CA 3.23Å; V78-I138 WeakPolarHBondContact O-CA 3.45Å; V78-I138 WeakPolarHBondContact O-CG1 3.49Å; Y80-I138 HydrophobicContact CD1-CD1 4.18Å; Y80-I138 HydrophobicContact CG-CD1 4.31Å; T136-I138 PolarHBondContact OG1-O 2.49Å; I138-T256 HydrophobicContact CG2-CG2 3.55Å; I138-D257 VanDerWaalsContact O-CB 3.26Å; I138-D257 WeakPolarHBondContact O-CB 3.47Å; I138-D257 PolarHBondContact O-N 3.03Å
139	I	98.5	Very high	98.2	Very high	56 Å²	56	14.7 Å²	14.7	29%	0.287	8%	0.075	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	165.8	172	61.1	171.5	0	0	0	110.5	P77 V78 A79 Y80 D257 N258	P77-I139 HydrophobicContact CB-CG2 3.87Å; P77-I139 HydrophobicContact CG-CB 4.47Å; P77-I139 HydrophobicContact CG-CG1 4.42Å; P77-I139 HydrophobicContact CG-CG2 3.46Å; P77-I139 VanDerWaalsContact CG-CG2 3.46Å; V78-I139 PolarHBondContact O-N 3.46Å; A79-I139 HydrophobicContact CB-CD1 4.06Å; A79-I139 HydrophobicContact CB-CG1 3.83Å; Y80-I139 PolarHBondContact N-O 2.95Å; I139-D257 HydrophobicContact CG2-CB 3.98Å; I139-N258 VanDerWaalsContact CA-OD1 3.26Å; I139-N258 WeakPolarHBondContact CA-OD1 3.47Å; I139-N258 VanDerWaalsContact CB-OD1 3.31Å; I139-N258 WeakPolarHBondContact CB-OD1 3.31Å
140	G	98	Very high	98.2	Very high	9 Å²	9	15 Å²	15	9%	0.093	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.8	-168.3	-168.7	0	0	0	0	0	111.3	T256 N258	G140-T256 VanDerWaalsContact O-CB 3.3Å; G140-T256 WeakPolarHBondContact O-CB 3.47Å; G140-T256 PolarHBondContact O-OG1 3.05Å; G140-N258 PolarHBondContact N-OD1 3.18Å
141	R	98	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-10.3	-177.9	-70.3	173	-76.9	167.1	-4.4	113.8	T81 S86 D92 P93 V143 L144 G145 W147 A259	T81-R141 HydrophobicContact CG2-CB 4.32Å; T81-R141 PolarHBondContact OG1-N 3.36Å; S86-R141 PolarHBondContact OG-NH2 3.42Å; D92-R141 PolarHBondContact O-NH1 3.09Å; P93-R141 PolarHBondContact O-NH2 3.2Å; R141-V143 PolarHBondContact O-N 2.91Å; R141-L144 WeakPolarHBondContact CB-O 3.47Å; R141-L144 WeakPolarHBondContact O-CB 3.35Å; R141-L144 PolarHBondContact O-N 2.92Å; R141-G145 PolarHBondContact NH1-O 3.31Å; R141-W147 HydrophobicContact CG-CD2 3.56Å; R141-W147 HydrophobicContact CG-CE3 3.57Å; R141-W147 HydrophobicContact CG-CG 4.16Å; R141-W147 HydrophobicContact CG-CH2 4.07Å; R141-W147 HydrophobicContact CG-CZ2 4.04Å; R141-W147 HydrophobicContact CG-CZ3 3.83Å; R141-W147 VanDerWaalsContact NE-CE2 3.29Å; R141-A259 HydrophobicContact CB-CB 4.23Å; R141-A259 HydrophobicContact CG-CB 4.12Å
142	G	97.8	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.2	-120.6	-168.5	0	0	0	0	0	110.9	Y50 Y80 A82	Y50-G142 WeakPolarHBondContact OH-CA 3.49Å; Y80-G142 WeakPolarHBondContact O-CA 3.28Å; Y80-G142 PolarHBondContact O-N 3.5Å; A82-G142 WeakPolarHBondContact CB-O 3.43Å; A82-G142 PolarHBondContact N-O 3.3Å
143	V	96.2	Very high	98.1	Very high	21 Å²	21	12.8 Å²	12.8	13%	0.127	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.4	177.7	-66.4	0	0	0	0	114.3	Y50 R52 A82 I85 R141 R254	Y50-V143 HydrophobicContact CE1-CB 4.31Å; Y50-V143 HydrophobicContact CE1-CG1 3.91Å; Y50-V143 HydrophobicContact CE1-CG2 3.95Å; Y50-V143 PolarHBondContact OH-N 3.26Å; R52-V143 HydrophobicContact CB-CG1 4.46Å; A82-V143 HydrophobicContact CB-CG1 3.96Å; I85-V143 VanDerWaalsContact CD1-C 3.41Å; I85-V143 VanDerWaalsContact CD1-O 3.29Å; I85-V143 WeakPolarHBondContact CD1-O 3.18Å; R141-V143 PolarHBondContact O-N 2.91Å; V143-R254 HydrophobicContact CG2-CB 4.05Å; V143-R254 HydrophobicContact CG2-CG 3.69Å
144	L	97.6	Very high	98.1	Very high	7 Å²	7	9.8 Å²	9.8	4%	0.037	5%	0.052	C	C	.	.			trans	-83.1	141.7	-179.9	-62	-179.4	0	0	0	111.4	I85 R141 R254 A259 M261	I85-L144 WeakPolarHBondContact CD1-O 3.34Å; R141-L144 WeakPolarHBondContact CB-O 3.47Å; R141-L144 WeakPolarHBondContact O-CB 3.35Å; R141-L144 PolarHBondContact O-N 2.92Å; L144-R254 HydrophobicContact CD2-CB 4Å; L144-R254 HydrophobicContact CG-CB 4.2Å; L144-A259 HydrophobicContact CB-CB 4.02Å; L144-A259 HydrophobicContact CD1-CB 3.88Å; L144-M261 HydrophobicContact CD1-SD 4.47Å; L144-M261 HydrophobicContact CD2-CG 4.32Å; L144-M261 HydrophobicContact CD2-SD 3.55Å; L144-M261 VanDerWaalsContact CD2-SD 3.55Å
145	G	97	Very high	98.1	Very high	5 Å²	5	9.8 Å²	9.8	5%	0.052	5%	0.052	C	C	.	.	S	Bend	trans	-73.2	-38	-175.1	0	0	0	0	0	113.4	W90 A91 D92 R141 N150	W90-G145 VanDerWaalsContact CZ3-CA 3.45Å; A91-G145 WeakPolarHBondContact CA-O 3.48Å; D92-G145 PolarHBondContact N-O 2.84Å; R141-G145 PolarHBondContact NH1-O 3.31Å; G145-N150 PolarHBondContact N-OD1 3.12Å
146	R	98	Very high	98.1	Very high	41 Å²	41	9 Å²	9	16%	0.155	5%	0.049	C	C	.	.	S	Bend	trans	-103.7	146.5	-170.4	-50.7	-57.8	-177.9	-175.6	-3	111.9	W90 D92 N150 A259	W90-R146 VanDerWaalsContact C-NH2 3.26Å; W90-R146 PolarHBondContact O-NE 3.43Å; W90-R146 PolarHBondContact O-NH1 2.95Å; W90-R146 PolarHBondContact O-NH2 2.85Å; D92-R146 WeakPolarHBondContact OD1-CD 3.34Å; D92-R146 IonicContact OD1-CZ 3.9Å; D92-R146 IonicContact OD1-NH1 2.96Å; D92-R146 PolarHBondContact OD1-NH1 3.05Å; D92-R146 WeakPolarHBondContact OD2-CA 3.36Å; R146-N150 WeakPolarHBondContact CB-OD1 3.39Å; R146-N150 PolarHBondContact N-OD1 3.13Å; R146-N150 PolarHBondContact O-ND2 3.03Å; R146-A259 VanDerWaalsContact O-CB 3.29Å; R146-A259 WeakPolarHBondContact O-CB 3.3Å
147	W	98.5	Very high	98	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.049	C	C	.	.	S	Bend	trans	-74	136.6	162.4	-65.4	103.1	0	0	0	109.4	D92 P93 N95 Y100 F105 L128 P129 R141 N258	D92-W147 PolarHBondContact OD2-N 2.9Å; P93-W147 PolarHBondContact O-NE1 3.22Å; N95-W147 HydrophobicContact CB-CH2 4.05Å; N95-W147 HydrophobicContact CB-CZ2 3.68Å; Y100-W147 AromaticContact CD2-CD1 3.79Å; Y100-W147 HydrophobicContact CD2-CG 4.45Å; Y100-W147 AromaticContact CD2-NE1 3.64Å; Y100-W147 HydrophobicContact CE2-CB 4.47Å; Y100-W147 AromaticContact CE2-CD1 3.54Å; Y100-W147 AromaticContact CE2-CD2 3.97Å; Y100-W147 HydrophobicContact CE2-CD2 3.97Å; Y100-W147 AromaticContact CE2-CE2 3.88Å; Y100-W147 AromaticContact CE2-CG 3.77Å; Y100-W147 HydrophobicContact CE2-CG 3.77Å; Y100-W147 AromaticContact CE2-NE1 3.6Å; F105-W147 HydrophobicContact CE1-CB 3.78Å; F105-W147 HydrophobicContact CZ-CB 4.16Å; L128-W147 HydrophobicContact CD2-CE3 4.15Å; L128-W147 HydrophobicContact CD2-CH2 3.95Å; L128-W147 HydrophobicContact CD2-CZ3 3.75Å; P129-W147 HydrophobicContact CG-CB 4.19Å; R141-W147 HydrophobicContact CG-CD2 3.56Å; R141-W147 HydrophobicContact CG-CE3 3.57Å; R141-W147 HydrophobicContact CG-CG 4.16Å; R141-W147 HydrophobicContact CG-CH2 4.07Å; R141-W147 HydrophobicContact CG-CZ2 4.04Å; R141-W147 HydrophobicContact CG-CZ3 3.83Å; R141-W147 VanDerWaalsContact NE-CE2 3.29Å; W147-N258 HydrophobicContact CE3-CB 3.74Å; W147-N258 HydrophobicContact CZ3-CB 3.65Å
148	G	98.7	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.5	-141	-175.6	0	0	0	0	0	112.9	N150 N258 A259 W260	G148-N150 PolarHBondContact O-ND2 3.38Å; G148-N150 VanDerWaalsContact O-ND2 3.1Å; G148-N258 PolarHBondContact N-O 2.82Å; G148-A259 CarbonylContact O-C 3.12Å; G148-A259 VanDerWaalsContact O-CA 3.26Å; G148-A259 WeakPolarHBondContact O-CA 3.5Å; G148-W260 PolarHBondContact O-N 3.48Å
149	P	98.7	Very high	97.9	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.026	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	138	-178.2	28.5	-32.3	0	0	0	111.6	T115 Y121 W260 E262	T115-P149 WeakPolarHBondContact O-CG 3.43Å; Y121-P149 HydrophobicContact CE1-CG 3.98Å; P149-W260 CarbonylContact C-O 3.58Å; P149-W260 WeakPolarHBondContact CA-O 3.16Å; P149-W260 HydrophobicContact CB-CZ2 4.42Å; P149-E262 HydrophobicContact CB-CG 4.06Å
150	N	98.6	Very high	97.9	Very high	7 Å²	7	9.8 Å²	9.8	4%	0.037	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101.4	171.4	-72.5	-108.4	0	0	0	106.4	G145 R146 G148 M198 W260 M261 E262	G145-N150 PolarHBondContact N-OD1 3.12Å; R146-N150 WeakPolarHBondContact CB-OD1 3.39Å; R146-N150 PolarHBondContact N-OD1 3.13Å; R146-N150 PolarHBondContact O-ND2 3.03Å; G148-N150 PolarHBondContact O-ND2 3.38Å; G148-N150 VanDerWaalsContact O-ND2 3.1Å; N150-M198 HydrophobicContact CB-CE 3.82Å; N150-W260 PolarHBondContact N-O 3.21Å; N150-M261 HydrophobicContact CB-SD 4.07Å; N150-E262 PolarHBondContact O-N 2.99Å; N150-E262 VanDerWaalsContact O-N 3.07Å
151	H	98.3	Very high	97.8	Very high	21 Å²	21	12.5 Å²	12.5	10%	0.097	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	135.6	-173	-62	-63.6	0	0	0	112.3	D113 T115 F117 M198 V199 E262	D113-H151 PolarHBondContact O-CD2 2.79Å; T115-H151 PolarHBondContact O-CE1 3.21Å; T115-H151 PolarHBondContact O-NE2 2.98Å; F117-H151 AromaticContact CE2-ND1 3.73Å; F117-H151 AromaticContact CZ-ND1 3.79Å; H151-M198 WeakPolarHBondContact O-CE 3.34Å; H151-V199 HydrophobicContact CB-CB 4.27Å; H151-V199 HydrophobicContact CB-CG2 4.07Å; H151-V199 PolarHBondContact O-N 3.07Å; H151-E262 CarbonylContact C-O 3.59Å; H151-E262 WeakPolarHBondContact CA-O 3.4Å; H151-E262 IonicContact CE1-OE2 2.67Å; H151-E262 IonicContact ND1-OE2 3.14Å
152	A	98.1	Very high	97.7	Very high	7 Å²	7	16.4 Å²	16.4	6%	0.058	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	170	172.1	0	0	0	0	0	110.5	G197 M261 E262 T263 V264	A152-G197 CarbonylContact C-O 3.52Å; A152-G197 WeakPolarHBondContact CA-O 3.39Å; A152-G197 WeakPolarHBondContact CB-O 3.16Å; A152-M261 HydrophobicContact CB-CE 3.78Å; A152-E262 PolarHBondContact N-O 3.25Å; A152-T263 WeakPolarHBondContact O-CA 3.24Å; A152-T263 PolarHBondContact O-OG1 3.22Å; A152-V264 PolarHBondContact O-N 3.13Å
153	A	98.2	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.9	169.1	0	0	0	0	0	110.6	P155 G196 G197 T208 L209 V264	A153-P155 WeakPolarHBondContact O-CD 3.45Å; A153-G196 WeakPolarHBondContact O-CA 3.33Å; A153-G197 PolarHBondContact N-O 2.94Å; A153-G197 PolarHBondContact O-N 3.06Å; A153-T208 HydrophobicContact CB-CG2 3.68Å; A153-L209 HydrophobicContact CB-CD2 3.77Å; A153-L209 HydrophobicContact CB-CG 3.89Å; A153-V264 WeakPolarHBondContact CA-O 3.45Å
154	D	98.2	Very high	97.4	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.048	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	99.1	-173.5	-77.4	-61.5	0	0	0	111.2	I156 I194 L209 T263 V264 A265 V266 H305	D154-I156 PolarHBondContact O-N 2.92Å; D154-I194 HydrophobicContact CB-CG2 3.95Å; D154-L209 VanDerWaalsContact C-CD2 3.42Å; D154-T263 WeakPolarHBondContact OD2-CB 3.33Å; D154-T263 WeakPolarHBondContact OD2-CG2 3.31Å; D154-T263 PolarHBondContact OD2-OG1 2.89Å; D154-V264 PolarHBondContact N-O 3.33Å; D154-A265 HydrophobicContact CB-CB 4.02Å; D154-A265 WeakPolarHBondContact O-CA 3.17Å; D154-V266 PolarHBondContact O-N 3.04Å; D154-H305 IonicContact OD1-CE1 3.73Å; D154-H305 IonicContact OD1-NE2 3.69Å
155	P	97.8	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.2	177.1	30.3	-31.1	0	0	0	110.7	A153 V157 I194 P195 L209 F213 F239 F268	A153-P155 WeakPolarHBondContact O-CD 3.45Å; P155-V157 PolarHBondContact O-N 3.18Å; P155-I194 WeakPolarHBondContact O-CG2 3.23Å; P155-P195 VanDerWaalsContact CD-O 3.3Å; P155-P195 WeakPolarHBondContact CD-O 3.28Å; P155-P195 WeakPolarHBondContact CG-O 3.5Å; P155-L209 HydrophobicContact CB-CB 4.29Å; P155-L209 HydrophobicContact CB-CD2 3.82Å; P155-L209 HydrophobicContact CG-CD2 4.32Å; P155-L209 VanDerWaalsContact N-CD2 3.33Å; P155-F213 HydrophobicContact CB-CB 4.17Å; P155-F213 HydrophobicContact CB-CD2 4.35Å; P155-F213 HydrophobicContact CG-CB 3.78Å; P155-F213 HydrophobicContact CG-CD2 4.19Å; P155-F213 HydrophobicContact CG-CG 4.47Å; P155-F239 HydrophobicContact CB-CE1 3.92Å; P155-F239 HydrophobicContact CB-CZ 4.22Å; P155-F268 HydrophobicContact CB-CE2 4.47Å
156	I	98.2	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	87	178	-48.6	177.2	0	0	0	109.3	D154 T158 F181 I194 A265 V266 N267 F268 F308 I309 V312	D154-I156 PolarHBondContact O-N 2.92Å; I156-T158 HydrophobicContact CG2-CG2 4Å; I156-F181 HydrophobicContact CG2-CB 4.43Å; I156-I194 HydrophobicContact CD1-CD1 3.92Å; I156-I194 HydrophobicContact CG1-CD1 3.84Å; I156-I194 HydrophobicContact CG1-CG1 4.32Å; I156-I194 HydrophobicContact CG1-CG2 4.13Å; I156-A265 HydrophobicContact CD1-CB 4.13Å; I156-V266 PolarHBondContact N-O 3.03Å; I156-N267 HydrophobicContact CB-CB 4.47Å; I156-N267 WeakPolarHBondContact O-CA 3.36Å; I156-N267 PolarHBondContact O-ND2 3.26Å; I156-F268 PolarHBondContact O-N 2.8Å; I156-F308 HydrophobicContact CD1-CB 3.79Å; I156-I309 HydrophobicContact CD1-CD1 4.46Å; I156-I309 HydrophobicContact CG2-CD1 3.66Å; I156-V312 HydrophobicContact CD1-CG2 3.97Å; I156-V312 HydrophobicContact CG2-CG2 4.17Å
157	V	97.4	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.9	176.6	173	0	0	0	0	110.2	P155 F181 V182 F213 F239 F268 L276 W292	P155-V157 PolarHBondContact O-N 3.18Å; V157-F181 CarbonylContact O-C 3.49Å; V157-F181 WeakPolarHBondContact O-CA 3.41Å; V157-V182 HydrophobicContact CB-CB 4.4Å; V157-V182 HydrophobicContact CB-CG2 4.01Å; V157-V182 HydrophobicContact CG1-CG2 3.86Å; V157-V182 PolarHBondContact O-N 3.07Å; V157-F213 HydrophobicContact CB-CD2 4.4Å; V157-F213 HydrophobicContact CB-CE2 3.66Å; V157-F213 HydrophobicContact CB-CZ 4.1Å; V157-F213 HydrophobicContact CG1-CE2 4.28Å; V157-F213 HydrophobicContact CG1-CZ 4.22Å; V157-F213 HydrophobicContact CG2-CD2 3.65Å; V157-F213 HydrophobicContact CG2-CE1 4.47Å; V157-F213 HydrophobicContact CG2-CE2 3.33Å; V157-F213 HydrophobicContact CG2-CG 4.34Å; V157-F213 HydrophobicContact CG2-CZ 3.8Å; V157-F239 HydrophobicContact CG2-CE2 3.58Å; V157-F239 HydrophobicContact CG2-CZ 3.53Å; V157-F268 CarbonylContact C-O 3.59Å; V157-F268 WeakPolarHBondContact CA-O 3.23Å; V157-F268 HydrophobicContact CG2-CB 4.43Å; V157-L276 HydrophobicContact CG1-CB 3.8Å; V157-L276 HydrophobicContact CG1-CD1 4.1Å; V157-L276 HydrophobicContact CG1-CD2 3.9Å; V157-L276 HydrophobicContact CG1-CG 4.15Å; V157-L276 HydrophobicContact CG2-CD2 4.35Å; V157-W292 HydrophobicContact CG1-CH2 3.83Å; V157-W292 HydrophobicContact CG1-CZ3 4.46Å
158	T	97.8	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.5	-174.1	54.2	0	0	0	0	114	I156 L179 Q180 F181 N267 F268 H269 D270 I295 V312	I156-T158 HydrophobicContact CG2-CG2 4Å; T158-L179 HydrophobicContact CG2-CD2 4.13Å; T158-L179 HydrophobicContact CG2-CG 4.43Å; T158-Q180 CarbonylContact C-O 3.5Å; T158-Q180 WeakPolarHBondContact CA-O 3.38Å; T158-Q180 WeakPolarHBondContact CB-O 3.45Å; T158-F181 HydrophobicContact CG2-CB 3.85Å; T158-N267 WeakPolarHBondContact CG2-ND2 3.26Å; T158-N267 PolarHBondContact OG1-ND2 3.16Å; T158-F268 PolarHBondContact N-O 2.96Å; T158-F268 PolarHBondContact OG1-O 2.96Å; T158-H269 WeakPolarHBondContact OG1-CA 3.41Å; T158-H269 WeakPolarHBondContact OG1-CB 3.22Å; T158-H269 PolarHBondContact OG1-ND1 2.92Å; T158-D270 PolarHBondContact O-N 2.72Å; T158-I295 HydrophobicContact CG2-CD1 4.42Å; T158-V312 HydrophobicContact CG2-CG1 3.93Å
159	R	97	Very high	96.7	Very high	60 Å²	60	40.3 Å²	40.3	23%	0.226	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	160.7	171.1	72	-178.7	-173.3	179.3	4	110.7	L179 Q180 A277 W292	R159-L179 WeakPolarHBondContact O-CD1 3.19Å; R159-Q180 HydrophobicContact CG-CB 4.19Å; R159-Q180 PolarHBondContact N-O 2.75Å; R159-Q180 PolarHBondContact O-N 3.19Å; R159-A277 HydrophobicContact CB-CB 4.09Å; R159-A277 VanDerWaalsContact CD-CB 3.45Å; R159-A277 HydrophobicContact CG-CB 4.41Å; R159-A277 PolarHBondContact NH1-O 2.91Å; R159-W292 HydrophobicContact CB-CH2 4.11Å; R159-W292 HydrophobicContact CB-CZ3 4.12Å; R159-W292 HydrophobicContact CG-CD2 4.25Å; R159-W292 HydrophobicContact CG-CE3 3.82Å; R159-W292 HydrophobicContact CG-CH2 3.84Å; R159-W292 HydrophobicContact CG-CZ2 4.31Å; R159-W292 HydrophobicContact CG-CZ3 3.6Å; R159-W292 VanDerWaalsContact CZ-CD1 3.48Å
160	W	97.7	Very high	96.7	Very high	14 Å²	14	45.1 Å²	45.1	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	141.7	167.8	-63.8	108.7	0	0	0	111.6	L162 R168 P177 L179 H269 D271 R316 A318	W160-L162 HydrophobicContact CB-CD2 4.13Å; W160-L162 PolarHBondContact O-N 3.38Å; W160-R168 HydrophobicContact CB-CG 4.07Å; W160-R168 VanDerWaalsContact CD1-CZ 3.46Å; W160-R168 HydrophobicContact CG-CG 4.16Å; W160-P177 HydrophobicContact CE3-CB 3.73Å; W160-P177 HydrophobicContact CE3-CG 4.1Å; W160-P177 HydrophobicContact CH2-CB 4.3Å; W160-P177 HydrophobicContact CH2-CG 3.74Å; W160-P177 HydrophobicContact CZ3-CB 3.56Å; W160-P177 HydrophobicContact CZ3-CG 3.44Å; W160-P177 VanDerWaalsContact CZ3-CG 3.44Å; W160-L179 HydrophobicContact CD2-CD1 3.93Å; W160-L179 HydrophobicContact CE3-CB 4.2Å; W160-L179 HydrophobicContact CE3-CD1 3.72Å; W160-L179 HydrophobicContact CH2-CD1 4.17Å; W160-L179 HydrophobicContact CZ2-CD1 4.35Å; W160-L179 HydrophobicContact CZ3-CB 3.96Å; W160-L179 HydrophobicContact CZ3-CD1 3.84Å; W160-L179 HydrophobicContact CZ3-CG 4.48Å; W160-H269 AromaticContact CD1-NE2 3.94Å; W160-H269 AromaticContact CE2-CE1 3.92Å; W160-H269 AromaticContact CE2-NE2 3.83Å; W160-H269 AromaticContact NE1-CE1 3.61Å; W160-H269 AromaticContact NE1-NE2 3.26Å; W160-H269 PolarHBondContact NE1-NE2 3.36Å; W160-D271 PolarHBondContact NE1-OD1 2.88Å; W160-R316 HydrophobicContact CH2-CB 4.1Å; W160-R316 VanDerWaalsContact CH2-O 3.29Å; W160-R316 WeakPolarHBondContact CH2-O 3.43Å; W160-R316 HydrophobicContact CZ2-CB 4.29Å; W160-A318 HydrophobicContact CH2-CB 4.19Å; W160-A318 HydrophobicContact CZ3-CB 3.94Å
161	K	97.1	Very high	96.6	Very high	65 Å²	65	46.6 Å²	46.6	28%	0.283	26%	0.257	S	S	.	.			trans	-73.6	122.4	166.1	-169.6	177.8	-172.1	171.4	0	108.5	R168 C169 I178 Q180 D294	K161-R168 WeakPolarHBondContact O-CA 3.46Å; K161-C169 HydrophobicContact CB-CB 4.19Å; K161-C169 HydrophobicContact CD-CB 4.18Å; K161-C169 HydrophobicContact CG-CB 4.11Å; K161-C169 PolarHBondContact O-N 2.91Å; K161-I178 HydrophobicContact CB-CB 4.06Å; K161-I178 HydrophobicContact CB-CG2 3.94Å; K161-I178 WeakPolarHBondContact CB-O 3.28Å; K161-I178 HydrophobicContact CD-CB 4.35Å; K161-I178 HydrophobicContact CD-CD1 4.44Å; K161-I178 HydrophobicContact CD-CG2 3.88Å; K161-I178 PolarHBondContact N-O 2.89Å; K161-Q180 HydrophobicContact CB-CG 3.88Å; K161-Q180 HydrophobicContact CG-CG 4.4Å; K161-D294 IonicContact NZ-OD1 3.91Å; K161-D294 IonicContact NZ-OD2 3.46Å; K161-D294 PolarHBondContact NZ-OD2 2.68Å
162	L	95.3	Very high	96.4	Very high	82 Å²	82	55.7 Å²	55.7	43%	0.429	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-104.5	147.2	177.5	-53.6	-176.7	0	0	0	110.9	W160 S167 R168 C169	W160-L162 HydrophobicContact CB-CD2 4.13Å; W160-L162 PolarHBondContact O-N 3.38Å; L162-S167 CarbonylContact C-O 3.53Å; L162-S167 VanDerWaalsContact CA-O 3.28Å; L162-S167 WeakPolarHBondContact CA-O 3.46Å; L162-R168 HydrophobicContact CD2-CG 4.15Å; L162-C169 VanDerWaalsContact C-SG 3.51Å
163	D	94.6	Very high	96.3	Very high	67 Å²	67	61.8 Å²	61.8	36%	0.358	33%	0.333	S	S	.	.			trans	-84.7	-178.6	167.8	67.8	23.4	0	0	0	111.3	S165 G166 S167 C169	D163-S165 PolarHBondContact O-N 2.8Å; D163-S165 VanDerWaalsContact O-N 3.12Å; D163-S165 WeakPolarHBondContact OD1-CA 3.27Å; D163-S165 VanDerWaalsContact OD1-CB 3.3Å; D163-S165 WeakPolarHBondContact OD1-CB 3.47Å; D163-S165 PolarHBondContact OD1-N 2.93Å; D163-S165 PolarHBondContact OD1-OG 3.28Å; D163-S165 PolarHBondContact OD2-OG 3.16Å; D163-G166 PolarHBondContact O-N 3.11Å; D163-G166 PolarHBondContact OD1-N 3.4Å; D163-S167 PolarHBondContact N-O 3.39Å; D163-S167 PolarHBondContact OD1-N 2.69Å; D163-C169 PolarHBondContact N-SG 3.49Å; D163-C169 VanDerWaalsContact N-SG 3.4Å
164	N	93.5	Very high	96.2	Very high	183 Å²	183	64.8 Å²	64.8	98%	0.979	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.8	-179.2	-64.5	-15	0	0	0	113.8
165	S	94.3	Very high	96.1	Very high	87 Å²	87	66.7 Å²	66.7	61%	0.608	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.1	174.4	77.7	0	0	0	0	113	D163 S167	D163-S165 PolarHBondContact O-N 2.8Å; D163-S165 VanDerWaalsContact O-N 3.12Å; D163-S165 WeakPolarHBondContact OD1-CA 3.27Å; D163-S165 VanDerWaalsContact OD1-CB 3.3Å; D163-S165 WeakPolarHBondContact OD1-CB 3.47Å; D163-S165 PolarHBondContact OD1-N 2.93Å; D163-S165 PolarHBondContact OD1-OG 3.28Å; D163-S165 PolarHBondContact OD2-OG 3.16Å; S165-S167 VanDerWaalsContact C-N 3.31Å; S165-S167 WeakPolarHBondContact OG-CB 3.31Å; S165-S167 PolarHBondContact OG-N 2.99Å; S165-S167 PolarHBondContact OG-OG 3.18Å
166	G	92.3	Very high	96	Very high	46 Å²	46	72 Å²	72	47%	0.474	39%	0.393	S	S	.	.	S	Bend	trans	81.7	8.9	-171.3	0	0	0	0	0	113.6	D163	D163-G166 PolarHBondContact O-N 3.11Å; D163-G166 PolarHBondContact OD1-N 3.4Å
167	S	94.8	Very high	96	Very high	64 Å²	64	73 Å²	73	45%	0.448	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-87.3	149.5	178.4	-60.8	0	0	0	0	111	L162 D163 S165 C169	L162-S167 CarbonylContact C-O 3.53Å; L162-S167 VanDerWaalsContact CA-O 3.28Å; L162-S167 WeakPolarHBondContact CA-O 3.46Å; D163-S167 PolarHBondContact N-O 3.39Å; D163-S167 PolarHBondContact OD1-N 2.69Å; S165-S167 VanDerWaalsContact C-N 3.31Å; S165-S167 WeakPolarHBondContact OG-CB 3.31Å; S165-S167 PolarHBondContact OG-N 2.99Å; S165-S167 PolarHBondContact OG-OG 3.18Å; S167-C169 PolarHBondContact O-N 2.98Å
168	R	96.7	Very high	96.1	Very high	101 Å²	101	74.1 Å²	74.1	38%	0.381	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-63.2	122.5	176.9	-62.7	-178.2	-174.9	-175.8	-2.2	110	W160 K161 L162 L170 P177 D271	W160-R168 HydrophobicContact CB-CG 4.07Å; W160-R168 VanDerWaalsContact CD1-CZ 3.46Å; W160-R168 HydrophobicContact CG-CG 4.16Å; K161-R168 WeakPolarHBondContact O-CA 3.46Å; L162-R168 HydrophobicContact CD2-CG 4.15Å; R168-L170 PolarHBondContact O-N 3.31Å; R168-P177 HydrophobicContact CB-CB 4.17Å; R168-D271 IonicContact CZ-OD1 3.06Å; R168-D271 IonicContact NH1-OD1 2.78Å; R168-D271 IonicContact NH2-OD1 3.66Å; R168-D271 PolarHBondContact NH2-OD1 3.43Å; R168-D271 IonicContact NH2-OD2 3.71Å; R168-D271 PolarHBondContact NH2-OD2 3.34Å
169	C	97.2	Very high	96.1	Very high	29 Å²	29	74.1 Å²	74.1	20%	0.196	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-62.9	127.8	171.9	-70.2	0	0	0	0	109.8	K161 L162 D163 S167 P177 I178	K161-C169 HydrophobicContact CB-CB 4.19Å; K161-C169 HydrophobicContact CD-CB 4.18Å; K161-C169 HydrophobicContact CG-CB 4.11Å; K161-C169 PolarHBondContact O-N 2.91Å; L162-C169 VanDerWaalsContact C-SG 3.51Å; D163-C169 PolarHBondContact N-SG 3.49Å; D163-C169 VanDerWaalsContact N-SG 3.4Å; S167-C169 PolarHBondContact O-N 2.98Å; C169-P177 CarbonylContact O-C 3.57Å; C169-P177 WeakPolarHBondContact O-CA 3.34Å; C169-I178 HydrophobicContact CB-CD1 4.06Å; C169-I178 PolarHBondContact O-N 3.5Å
170	L	97.2	Very high	96.2	Very high	105 Å²	105	72.1 Å²	72.1	55%	0.55	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-98.4	139.6	175.9	-55.2	-176.4	0	0	0	110.8	R168 K172 R176 P177	R168-L170 PolarHBondContact O-N 3.31Å; L170-K172 PolarHBondContact O-N 3.43Å; L170-R176 WeakPolarHBondContact CA-O 3.13Å; L170-P177 HydrophobicContact CD2-CB 4.02Å
171	N	97.1	Very high	96.2	Very high	39 Å²	39	71.4 Å²	71.4	21%	0.209	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-69.5	128.7	166	177.9	-67.4	0	0	0	108.7	T173 T174 G175 R176 I178 Q319	N171-T173 VanDerWaalsContact C-N 3.28Å; N171-T173 PolarHBondContact O-N 3.02Å; N171-T173 WeakPolarHBondContact OD1-CA 3.3Å; N171-T173 WeakPolarHBondContact OD1-CB 3.49Å; N171-T173 PolarHBondContact OD1-N 2.83Å; N171-T174 WeakPolarHBondContact CB-OG1 3.3Å; N171-T174 PolarHBondContact OD1-N 2.64Å; N171-G175 WeakPolarHBondContact O-CA 3.39Å; N171-G175 PolarHBondContact O-N 3.2Å; N171-R176 PolarHBondContact N-O 3.17Å; N171-I178 HydrophobicContact CB-CG1 4.19Å; N171-Q319 HydrophobicContact CB-CB 3.81Å; N171-Q319 HydrophobicContact CB-CG 3.97Å; N171-Q319 PolarHBondContact ND2-OE1 3.3Å
172	K	95.1	Very high	96.2	Very high	211 Å²	211	68.4 Å²	68.4	92%	0.917	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.8	-174.4	-65.2	-175.6	179.9	-179.5	0	113.8	L170	L170-K172 PolarHBondContact O-N 3.43Å
173	T	95	Very high	96.3	Very high	136 Å²	136	64.5 Å²	64.5	83%	0.834	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-44.5	-177.2	-55.9	0	0	0	0	111.4	N171	N171-T173 VanDerWaalsContact C-N 3.28Å; N171-T173 PolarHBondContact O-N 3.02Å; N171-T173 WeakPolarHBondContact OD1-CA 3.3Å; N171-T173 WeakPolarHBondContact OD1-CB 3.49Å; N171-T173 PolarHBondContact OD1-N 2.83Å
174	T	95.3	Very high	96.4	Very high	62 Å²	62	61.5 Å²	61.5	38%	0.38	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.8	-175.4	65.9	0	0	0	0	113.4	N171 R176	N171-T174 WeakPolarHBondContact CB-OG1 3.3Å; N171-T174 PolarHBondContact OD1-N 2.64Å; T174-R176 PolarHBondContact O-N 2.63Å; T174-R176 VanDerWaalsContact O-N 3.15Å; T174-R176 PolarHBondContact OG1-N 3.15Å
175	G	96.2	Very high	96.5	Very high	49 Å²	49	56.5 Å²	56.5	51%	0.505	31%	0.314	S	S	.	.			trans	67.5	3.9	-172.6	0	0	0	0	0	114.1	N171	N171-G175 WeakPolarHBondContact O-CA 3.39Å; N171-G175 PolarHBondContact O-N 3.2Å
176	R	97.5	Very high	96.3	Very high	112 Å²	112	54.4 Å²	54.4	42%	0.423	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-93.1	152.6	-178.4	-68.3	-170	179.3	-171.8	-3.7	111.8	L170 N171 T174 N317 A318 Q319	L170-R176 WeakPolarHBondContact CA-O 3.13Å; N171-R176 PolarHBondContact N-O 3.17Å; T174-R176 PolarHBondContact O-N 2.63Å; T174-R176 VanDerWaalsContact O-N 3.15Å; T174-R176 PolarHBondContact OG1-N 3.15Å; R176-N317 VanDerWaalsContact CZ-OD1 3.29Å; R176-N317 PolarHBondContact NH1-OD1 3.07Å; R176-A318 VanDerWaalsContact CD-O 3.27Å; R176-A318 WeakPolarHBondContact CD-O 3.07Å; R176-Q319 HydrophobicContact CB-CB 3.94Å
177	P	98	Very high	96.1	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.143	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-65.9	144.2	177.6	28.3	-35.5	0	0	0	112.2	W160 R168 C169 L170 A318 Q319	W160-P177 HydrophobicContact CE3-CB 3.73Å; W160-P177 HydrophobicContact CE3-CG 4.1Å; W160-P177 HydrophobicContact CH2-CB 4.3Å; W160-P177 HydrophobicContact CH2-CG 3.74Å; W160-P177 HydrophobicContact CZ3-CB 3.56Å; W160-P177 HydrophobicContact CZ3-CG 3.44Å; W160-P177 VanDerWaalsContact CZ3-CG 3.44Å; R168-P177 HydrophobicContact CB-CB 4.17Å; C169-P177 CarbonylContact O-C 3.57Å; C169-P177 WeakPolarHBondContact O-CA 3.34Å; L170-P177 HydrophobicContact CD2-CB 4.02Å; P177-A318 WeakPolarHBondContact O-CA 3.22Å; P177-Q319 PolarHBondContact O-N 3.38Å
178	I	98.2	Very high	95.5	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.118	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-83.3	119.3	176.1	-63	162.1	0	0	0	108.5	K161 C169 N171 D294 Q319	K161-I178 HydrophobicContact CB-CB 4.06Å; K161-I178 HydrophobicContact CB-CG2 3.94Å; K161-I178 WeakPolarHBondContact CB-O 3.28Å; K161-I178 HydrophobicContact CD-CB 4.35Å; K161-I178 HydrophobicContact CD-CD1 4.44Å; K161-I178 HydrophobicContact CD-CG2 3.88Å; K161-I178 PolarHBondContact N-O 2.89Å; C169-I178 HydrophobicContact CB-CD1 4.06Å; C169-I178 PolarHBondContact O-N 3.5Å; N171-I178 HydrophobicContact CB-CG1 4.19Å; I178-D294 HydrophobicContact CG2-CB 4.06Å; I178-Q319 HydrophobicContact CG1-CG 4.07Å
179	L	98.4	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.3	171.7	-167	70	0	0	0	109.4	T158 R159 W160 H269 I295 V312 R316 A318	T158-L179 HydrophobicContact CG2-CD2 4.13Å; T158-L179 HydrophobicContact CG2-CG 4.43Å; R159-L179 WeakPolarHBondContact O-CD1 3.19Å; W160-L179 HydrophobicContact CD2-CD1 3.93Å; W160-L179 HydrophobicContact CE3-CB 4.2Å; W160-L179 HydrophobicContact CE3-CD1 3.72Å; W160-L179 HydrophobicContact CH2-CD1 4.17Å; W160-L179 HydrophobicContact CZ2-CD1 4.35Å; W160-L179 HydrophobicContact CZ3-CB 3.96Å; W160-L179 HydrophobicContact CZ3-CD1 3.84Å; W160-L179 HydrophobicContact CZ3-CG 4.48Å; L179-H269 VanDerWaalsContact CD1-CE1 3.49Å; L179-H269 WeakPolarHBondContact CD1-CE1 3.41Å; L179-I295 HydrophobicContact CB-CB 4.49Å; L179-I295 HydrophobicContact CB-CD1 3.99Å; L179-I295 HydrophobicContact CD2-CD1 3.66Å; L179-I295 HydrophobicContact CG-CD1 3.83Å; L179-I295 WeakPolarHBondContact O-CB 3.44Å; L179-I295 PolarHBondContact O-N 3.48Å; L179-V312 HydrophobicContact CD2-CG1 3.84Å; L179-R316 HydrophobicContact CD2-CB 4.03Å; L179-R316 HydrophobicContact CD2-CG 3.98Å; L179-A318 HydrophobicContact CB-CB 3.64Å; L179-A318 HydrophobicContact CD2-CB 4.3Å
180	Q	98.2	Very high	94.7	Very high	17 Å²	17	56.8 Å²	56.8	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.8	171	-55.6	-171	-55.9	0	0	109.9	T158 R159 K161 W292 T293 D294	T158-Q180 CarbonylContact C-O 3.5Å; T158-Q180 WeakPolarHBondContact CA-O 3.38Å; T158-Q180 WeakPolarHBondContact CB-O 3.45Å; R159-Q180 HydrophobicContact CG-CB 4.19Å; R159-Q180 PolarHBondContact N-O 2.75Å; R159-Q180 PolarHBondContact O-N 3.19Å; K161-Q180 HydrophobicContact CB-CG 3.88Å; K161-Q180 HydrophobicContact CG-CG 4.4Å; Q180-W292 HydrophobicContact CB-CB 4.4Å; Q180-W292 HydrophobicContact CB-CE3 3.88Å; Q180-T293 CarbonylContact C-O 3.58Å; Q180-T293 WeakPolarHBondContact CA-O 3.12Å; Q180-D294 WeakPolarHBondContact CG-OD1 3.39Å; Q180-D294 PolarHBondContact NE2-OD1 3.42Å
181	F	98.2	Very high	94.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.1	168	79.2	-67.5	0	0	0	111.7	I156 V157 T158 I194 W292 T293 I295 L299 L301 I309	I156-F181 HydrophobicContact CG2-CB 4.43Å; V157-F181 CarbonylContact O-C 3.49Å; V157-F181 WeakPolarHBondContact O-CA 3.41Å; T158-F181 HydrophobicContact CG2-CB 3.85Å; F181-I194 HydrophobicContact CE2-CG1 4.23Å; F181-W292 CarbonylContact O-C 3.6Å; F181-W292 WeakPolarHBondContact O-CA 3.44Å; F181-T293 HydrophobicContact CD1-CG2 4.42Å; F181-T293 WeakPolarHBondContact CD1-O 3.12Å; F181-T293 HydrophobicContact CE1-CG2 3.72Å; F181-T293 HydrophobicContact CZ-CG2 4.45Å; F181-T293 PolarHBondContact N-O 3.07Å; F181-T293 PolarHBondContact O-N 2.93Å; F181-I295 HydrophobicContact CB-CD1 4.15Å; F181-I295 HydrophobicContact CB-CG1 4.43Å; F181-I295 HydrophobicContact CD1-CD1 4.23Å; F181-I295 HydrophobicContact CD1-CG1 3.63Å; F181-I295 HydrophobicContact CE1-CG1 4.35Å; F181-I295 HydrophobicContact CG-CG1 4.4Å; F181-L299 HydrophobicContact CE1-CD1 3.94Å; F181-L301 HydrophobicContact CE2-CD1 4.46Å; F181-L301 HydrophobicContact CZ-CD1 3.85Å; F181-L301 HydrophobicContact CZ-CD2 4.01Å; F181-I309 HydrophobicContact CB-CD1 4.36Å; F181-I309 HydrophobicContact CD1-CD1 4.24Å; F181-I309 HydrophobicContact CD2-CD1 3.57Å; F181-I309 HydrophobicContact CD2-CG1 4.42Å; F181-I309 HydrophobicContact CE1-CD1 4.44Å; F181-I309 HydrophobicContact CE1-CG1 4.48Å; F181-I309 HydrophobicContact CE2-CD1 3.81Å; F181-I309 HydrophobicContact CE2-CG1 4.2Å; F181-I309 HydrophobicContact CG-CD1 3.81Å; F181-I309 HydrophobicContact CZ-CD1 4.24Å; F181-I309 HydrophobicContact CZ-CG1 4.23Å
182	V	97.7	Very high	94.5	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.8	170.4	-178.1	0	0	0	0	108.9	V157 P195 F213 A217 L281 V290 W292	V157-V182 HydrophobicContact CB-CB 4.4Å; V157-V182 HydrophobicContact CB-CG2 4.01Å; V157-V182 HydrophobicContact CG1-CG2 3.86Å; V157-V182 PolarHBondContact O-N 3.07Å; V182-P195 HydrophobicContact CG1-CG 4.32Å; V182-P195 WeakPolarHBondContact O-CD 3.36Å; V182-F213 HydrophobicContact CB-CE2 4.01Å; V182-F213 HydrophobicContact CB-CZ 4.49Å; V182-F213 HydrophobicContact CG1-CE2 3.97Å; V182-F213 HydrophobicContact CG1-CZ 4.33Å; V182-F213 HydrophobicContact CG2-CE2 4.15Å; V182-F213 HydrophobicContact CG2-CZ 4.21Å; V182-A217 HydrophobicContact CG1-CB 3.91Å; V182-L281 HydrophobicContact CG1-CD1 4.09Å; V182-L281 HydrophobicContact CG1-CD2 3.98Å; V182-L281 HydrophobicContact CG2-CD1 4.14Å; V182-L281 HydrophobicContact CG2-CD2 4.12Å; V182-V290 HydrophobicContact CG1-CG2 3.87Å; V182-W292 HydrophobicContact CG2-CD2 4.09Å; V182-W292 HydrophobicContact CG2-CE3 3.88Å; V182-W292 HydrophobicContact CG2-CH2 3.57Å; V182-W292 HydrophobicContact CG2-CZ2 3.74Å; V182-W292 HydrophobicContact CG2-CZ3 3.61Å
183	S	97	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.5	176.9	64.4	0	0	0	0	110.8	W192 A193 V290 R291 T293	S183-W192 WeakPolarHBondContact O-CZ3 3.33Å; S183-W192 VanDerWaalsContact OG-CE3 3.28Å; S183-A193 CarbonylContact C-O 3.52Å; S183-A193 VanDerWaalsContact CA-O 3.27Å; S183-A193 WeakPolarHBondContact CA-O 3.37Å; S183-V290 WeakPolarHBondContact O-CA 3.24Å; S183-R291 PolarHBondContact N-O 2.84Å; S183-R291 PolarHBondContact O-N 3.27Å; S183-R291 PolarHBondContact OG-O 2.88Å; S183-T293 PolarHBondContact OG-OG1 3.25Å
184	I	96.2	Very high	94.7	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.9	171.8	56.7	161	0	0	0	111.1	W192 A193 P195 E216 A287 A289 V290	I184-W192 CarbonylContact O-C 3.49Å; I184-W192 VanDerWaalsContact O-CA 3.29Å; I184-W192 WeakPolarHBondContact O-CA 3.37Å; I184-A193 HydrophobicContact CG1-CB 4.45Å; I184-A193 PolarHBondContact N-O 2.94Å; I184-A193 PolarHBondContact O-N 2.78Å; I184-P195 HydrophobicContact CD1-CB 4.3Å; I184-P195 HydrophobicContact CG1-CB 4.18Å; I184-P195 HydrophobicContact CG2-CB 3.9Å; I184-E216 HydrophobicContact CD1-CB 4.24Å; I184-E216 HydrophobicContact CD1-CG 4.37Å; I184-E216 HydrophobicContact CG2-CB 4.47Å; I184-A287 HydrophobicContact CB-CB 3.98Å; I184-A287 HydrophobicContact CD1-CB 4.39Å; I184-A287 HydrophobicContact CG2-CB 4.08Å; I184-A289 CarbonylContact C-O 3.51Å; I184-A289 VanDerWaalsContact CA-O 3.26Å; I184-A289 WeakPolarHBondContact CA-O 3.28Å; I184-V290 HydrophobicContact CG2-CB 4.12Å; I184-V290 HydrophobicContact CG2-CG2 3.93Å
185	R	95.1	Very high	94.7	Very high	78 Å²	78	37.5 Å²	37.5	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.5	168.3	-170.9	170.7	66.4	-172.7	-8.4	108.9	G190 W192 E288 A289	R185-G190 WeakPolarHBondContact CD-O 3.49Å; R185-G190 VanDerWaalsContact CG-O 3.29Å; R185-G190 WeakPolarHBondContact CG-O 3.41Å; R185-W192 HydrophobicContact CB-CD2 4.12Å; R185-W192 HydrophobicContact CB-CE3 4.08Å; R185-W192 HydrophobicContact CB-CH2 4.14Å; R185-W192 HydrophobicContact CB-CZ2 4.19Å; R185-W192 HydrophobicContact CB-CZ3 4.08Å; R185-E288 VanDerWaalsContact CZ-CD 3.44Å; R185-E288 IonicContact CZ-OE1 3.66Å; R185-E288 IonicContact CZ-OE2 3.66Å; R185-E288 IonicContact NE-OE1 3.44Å; R185-E288 IonicContact NE-OE2 3.07Å; R185-E288 PolarHBondContact NE-OE2 3.45Å; R185-E288 IonicContact NH2-OE1 3.74Å; R185-E288 PolarHBondContact NH2-OE1 3.01Å; R185-E288 IonicContact NH2-OE2 3.36Å; R185-E288 PolarHBondContact NH2-OE2 3.08Å; R185-E288 VanDerWaalsContact NH2-OE2 3.14Å; R185-E288 PolarHBondContact O-N 3.21Å; R185-A289 HydrophobicContact CB-CB 4.19Å; R185-A289 PolarHBondContact N-O 2.74Å
186	R	91.4	Very high	94.7	Very high	44 Å²	44	35.6 Å²	35.6	17%	0.166	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.8	-177.9	-61.4	177.5	59	79.2	3.5	110.9	D188 G190 Q191 A193	R186-D188 VanDerWaalsContact C-N 3.31Å; R186-D188 WeakPolarHBondContact CB-OD1 3.35Å; R186-D188 IonicContact CZ-OD1 3.62Å; R186-D188 IonicContact CZ-OD2 3.98Å; R186-D188 IonicContact NE-OD1 3.8Å; R186-D188 PolarHBondContact NE-OD1 2.79Å; R186-D188 IonicContact NE-OD2 3.99Å; R186-D188 IonicContact NH2-OD1 3.88Å; R186-D188 PolarHBondContact NH2-OD1 2.51Å; R186-D188 IonicContact NH2-OD2 3.95Å; R186-D188 PolarHBondContact NH2-OD2 2.96Å; R186-D188 PolarHBondContact O-N 3.22Å; R186-G190 VanDerWaalsContact O-CA 3.29Å; R186-G190 WeakPolarHBondContact O-CA 3.49Å; R186-G190 PolarHBondContact O-N 2.93Å; R186-Q191 PolarHBondContact N-O 3.2Å; R186-A193 HydrophobicContact CG-CB 4.03Å
187	K	86.9	Confident	94.6	Very high	117 Å²	117	31 Å²	31	51%	0.509	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.3	175.9	-73.5	-178.8	-174.1	-171.9	0	113.5	D285 D286 A287 E288	K187-D285 WeakPolarHBondContact CD-O 3.26Å; K187-D285 WeakPolarHBondContact CE-O 3.31Å; K187-D285 PolarHBondContact NZ-O 3.37Å; K187-D286 VanDerWaalsContact CG-O 3.31Å; K187-D286 WeakPolarHBondContact CG-O 3.3Å; K187-D286 PolarHBondContact N-O 2.91Å; K187-A287 VanDerWaalsContact CE-C 3.44Å; K187-A287 WeakPolarHBondContact CE-O 3.33Å; K187-E288 HydrophobicContact CG-CB 4.14Å
188	D	83.8	Confident	94.5	Very high	80 Å²	80	33.2 Å²	33.2	43%	0.428	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-28	-172.5	66.5	-6.2	0	0	0	114.7	R52 R186	R52-D188 IonicContact NE-OD2 4Å; R52-D188 IonicContact NH2-OD2 3.28Å; R52-D188 PolarHBondContact NH2-OD2 3.11Å; R186-D188 VanDerWaalsContact C-N 3.31Å; R186-D188 WeakPolarHBondContact CB-OD1 3.35Å; R186-D188 IonicContact CZ-OD1 3.62Å; R186-D188 IonicContact CZ-OD2 3.98Å; R186-D188 IonicContact NE-OD1 3.8Å; R186-D188 PolarHBondContact NE-OD1 2.79Å; R186-D188 IonicContact NE-OD2 3.99Å; R186-D188 IonicContact NH2-OD1 3.88Å; R186-D188 PolarHBondContact NH2-OD1 2.51Å; R186-D188 IonicContact NH2-OD2 3.95Å; R186-D188 PolarHBondContact NH2-OD2 2.96Å; R186-D188 PolarHBondContact O-N 3.22Å
189	S	86.3	Confident	94.5	Very high	54 Å²	54	34 Å²	34	38%	0.378	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-13.8	-171.5	49.6	0	0	0	0	113.4	Q191	S189-Q191 PolarHBondContact O-N 3.43Å; S189-Q191 VanDerWaalsContact O-N 3.16Å
190	G	90.6	Very high	94.3	Very high	38 Å²	38	38 Å²	38	39%	0.392	20%	0.201	S	C	.	.			trans	67.9	4.9	-173.5	0	0	0	0	0	114.1	R185 R186	R185-G190 WeakPolarHBondContact CD-O 3.49Å; R185-G190 VanDerWaalsContact CG-O 3.29Å; R185-G190 WeakPolarHBondContact CG-O 3.41Å; R186-G190 VanDerWaalsContact O-CA 3.29Å; R186-G190 WeakPolarHBondContact O-CA 3.49Å; R186-G190 PolarHBondContact O-N 2.93Å
191	Q	93.3	Very high	94.1	Very high	92 Å²	92	39.7 Å²	39.7	43%	0.43	22%	0.217	S	C	.	.			trans	-84.3	145.9	-178.8	-64.5	-170.8	-51.6	0	0	111.4	R186 S189 Y302	R186-Q191 PolarHBondContact N-O 3.2Å; S189-Q191 PolarHBondContact O-N 3.43Å; S189-Q191 VanDerWaalsContact O-N 3.16Å; Q191-Y302 VanDerWaalsContact OE1-CD2 3.3Å
192	W	96.8	Very high	93.8	Very high	53 Å²	53	42.5 Å²	42.5	20%	0.201	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.1	172	-71.9	97.5	0	0	0	110.9	S183 I184 R185 A289 R291 L301 Y302	S183-W192 WeakPolarHBondContact O-CZ3 3.33Å; S183-W192 VanDerWaalsContact OG-CE3 3.28Å; I184-W192 CarbonylContact O-C 3.49Å; I184-W192 VanDerWaalsContact O-CA 3.29Å; I184-W192 WeakPolarHBondContact O-CA 3.37Å; R185-W192 HydrophobicContact CB-CD2 4.12Å; R185-W192 HydrophobicContact CB-CE3 4.08Å; R185-W192 HydrophobicContact CB-CH2 4.14Å; R185-W192 HydrophobicContact CB-CZ2 4.19Å; R185-W192 HydrophobicContact CB-CZ3 4.08Å; W192-A289 HydrophobicContact CH2-CB 3.99Å; W192-R291 HydrophobicContact CH2-CG 3.71Å; W192-R291 HydrophobicContact CZ3-CG 3.73Å; W192-L301 HydrophobicContact CB-CD2 3.74Å; W192-L301 CarbonylContact O-C 3.51Å; W192-L301 VanDerWaalsContact O-CA 3.3Å; W192-L301 WeakPolarHBondContact O-CA 3.42Å; W192-Y302 PolarHBondContact O-N 3.17Å
193	A	96.8	Very high	93.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.5	-174.7	0	0	0	0	0	111.6	S183 I184 R186	S183-A193 CarbonylContact C-O 3.52Å; S183-A193 VanDerWaalsContact CA-O 3.27Å; S183-A193 WeakPolarHBondContact CA-O 3.37Å; I184-A193 HydrophobicContact CG1-CB 4.45Å; I184-A193 PolarHBondContact N-O 2.94Å; I184-A193 PolarHBondContact O-N 2.78Å; R186-A193 HydrophobicContact CG-CB 4.03Å
194	I	97.2	Very high	93.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	28%	0.279	C	S	.	.			trans	-69.1	140.9	163.1	-63.4	158.5	0	0	0	106.9	D154 P155 I156 F181 G196 H305 F308 I309	D154-I194 HydrophobicContact CB-CG2 3.95Å; P155-I194 WeakPolarHBondContact O-CG2 3.23Å; I156-I194 HydrophobicContact CD1-CD1 3.92Å; I156-I194 HydrophobicContact CG1-CD1 3.84Å; I156-I194 HydrophobicContact CG1-CG1 4.32Å; I156-I194 HydrophobicContact CG1-CG2 4.13Å; F181-I194 HydrophobicContact CE2-CG1 4.23Å; I194-G196 PolarHBondContact O-N 2.84Å; I194-H305 HydrophobicContact CD1-CB 3.84Å; I194-H305 HydrophobicContact CG1-CB 4.24Å; I194-H305 PolarHBondContact N-ND1 2.85Å; I194-H305 VanDerWaalsContact N-ND1 3.12Å; I194-F308 HydrophobicContact CD1-CB 4.3Å; I194-F308 HydrophobicContact CD1-CD2 3.95Å; I194-I309 HydrophobicContact CD1-CD1 4.25Å; I194-I309 HydrophobicContact CG1-CD1 4.25Å
195	P	95.7	Very high	93.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-74.5	64.8	176.9	32	-37.5	0	0	0	111.6	P155 V182 I184 F213 E216 A217	P155-P195 VanDerWaalsContact CD-O 3.3Å; P155-P195 WeakPolarHBondContact CD-O 3.28Å; P155-P195 WeakPolarHBondContact CG-O 3.5Å; V182-P195 HydrophobicContact CG1-CG 4.32Å; V182-P195 WeakPolarHBondContact O-CD 3.36Å; I184-P195 HydrophobicContact CD1-CB 4.3Å; I184-P195 HydrophobicContact CG1-CB 4.18Å; I184-P195 HydrophobicContact CG2-CB 3.9Å; P195-F213 HydrophobicContact CG-CD2 3.81Å; P195-F213 HydrophobicContact CG-CE2 4.1Å; P195-E216 HydrophobicContact CB-CB 3.81Å; P195-A217 HydrophobicContact CB-CB 4.24Å; P195-A217 HydrophobicContact CG-CB 4.35Å
196	G	95.6	Very high	93.4	Very high	10 Å²	10	51.8 Å²	51.8	10%	0.103	30%	0.296	C	S	.	.			trans	-112.2	170.7	174.7	0	0	0	0	0	112	A153 I194	A153-G196 WeakPolarHBondContact O-CA 3.33Å; I194-G196 PolarHBondContact O-N 2.84Å
197	G	94.8	Very high	93.7	Very high	16 Å²	16	52.1 Å²	52.1	17%	0.165	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-168.7	-179.3	0	0	0	0	0	112.9	A152 A153 E212	A152-G197 CarbonylContact C-O 3.52Å; A152-G197 WeakPolarHBondContact CA-O 3.39Å; A152-G197 WeakPolarHBondContact CB-O 3.16Å; A153-G197 PolarHBondContact N-O 2.94Å; A153-G197 PolarHBondContact O-N 3.06Å; G197-E212 WeakPolarHBondContact CA-OE1 3.45Å; G197-E212 WeakPolarHBondContact CA-OE2 3.21Å
198	M	96.7	Very high	94.2	Very high	68 Å²	68	46.6 Å²	46.6	34%	0.335	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	143.1	-169.6	-57.5	-53	-56.3	0	0	110.8	N150 H151 D200 T208 R211 E212 M261	N150-M198 HydrophobicContact CB-CE 3.82Å; H151-M198 WeakPolarHBondContact O-CE 3.34Å; M198-D200 PolarHBondContact O-N 3.34Å; M198-T208 WeakPolarHBondContact O-CG2 3.26Å; M198-R211 PolarHBondContact O-NH2 2.87Å; M198-E212 PolarHBondContact N-OE1 3.26Å; M198-M261 HydrophobicContact CE-CE 3.98Å; M198-M261 HydrophobicContact CE-SD 4.2Å; M198-M261 HydrophobicContact SD-CE 3.68Å; M198-M261 HydrophobicContact SD-SD 4.22Å
199	V	97	Very high	94.8	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.23	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.4	122.8	167.6	-179.7	0	0	0	0	108.3	H151 E203 T208	H151-V199 HydrophobicContact CB-CB 4.27Å; H151-V199 HydrophobicContact CB-CG2 4.07Å; H151-V199 PolarHBondContact O-N 3.07Å; V199-E203 HydrophobicContact CG1-CB 4.19Å; V199-E203 VanDerWaalsContact CG1-O 3.27Å; V199-E203 WeakPolarHBondContact CG1-O 3.24Å; V199-T208 HydrophobicContact CG2-CG2 4.05Å
200	D	94.7	Very high	95.3	Very high	86 Å²	86	42.6 Å²	42.6	46%	0.46	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-71.1	157.3	177.6	-81.5	-30.8	0	0	0	112.1	M198 G202 E203 R211	M198-D200 PolarHBondContact O-N 3.34Å; D200-G202 PolarHBondContact O-N 2.7Å; D200-E203 HydrophobicContact CB-CB 3.88Å; D200-E203 PolarHBondContact N-OE2 3.31Å; D200-E203 VanDerWaalsContact N-OE2 3.17Å; D200-E203 VanDerWaalsContact O-CB 3.24Å; D200-E203 WeakPolarHBondContact O-CB 3.3Å; D200-E203 PolarHBondContact O-N 3.01Å; D200-R211 IonicContact OD2-CZ 2.82Å; D200-R211 IonicContact OD2-NE 2.73Å; D200-R211 IonicContact OD2-NH2 3.57Å
201	A	93.6	Very high	95.6	Very high	51 Å²	51	43.1 Å²	43.1	42%	0.421	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	122.6	179	0	0	0	0	0	110.9	I111 L112 E203	I111-A201 HydrophobicContact CD1-CB 3.76Å; I111-A201 HydrophobicContact CG1-CB 4.19Å; L112-A201 HydrophobicContact CD2-CB 3.57Å; A201-E203 PolarHBondContact O-N 3.05Å
202	G	93	Very high	95.7	Very high	60 Å²	60	39.5 Å²	39.5	62%	0.619	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-1.1	-174.8	0	0	0	0	0	114.7	I111 D200	I111-G202 WeakPolarHBondContact O-CA 3.34Å; I111-G202 PolarHBondContact O-N 3.21Å; D200-G202 PolarHBondContact O-N 2.7Å
203	E	94.7	Very high	95.7	Very high	46 Å²	46	37 Å²	37	22%	0.215	22%	0.217	C	C	.	.			trans	-84.1	144.9	174.5	-164.8	-179.8	-140.5	0	0	110.4	V199 D200 A201 T208 R211	V199-E203 HydrophobicContact CG1-CB 4.19Å; V199-E203 VanDerWaalsContact CG1-O 3.27Å; V199-E203 WeakPolarHBondContact CG1-O 3.24Å; D200-E203 HydrophobicContact CB-CB 3.88Å; D200-E203 PolarHBondContact N-OE2 3.31Å; D200-E203 VanDerWaalsContact N-OE2 3.17Å; D200-E203 VanDerWaalsContact O-CB 3.24Å; D200-E203 WeakPolarHBondContact O-CB 3.3Å; D200-E203 PolarHBondContact O-N 3.01Å; A201-E203 PolarHBondContact O-N 3.05Å; E203-T208 PolarHBondContact OE1-N 3.44Å; E203-T208 WeakPolarHBondContact OE2-CB 3.48Å; E203-T208 PolarHBondContact OE2-OG1 2.98Å; E203-R211 IonicContact OE1-CZ 2.76Å; E203-R211 IonicContact OE1-NE 3.42Å; E203-R211 PolarHBondContact OE1-NE 3.4Å; E203-R211 VanDerWaalsContact OE1-NE 3.07Å; E203-R211 IonicContact OE1-NH2 3.85Å; E203-R211 IonicContact OE2-CZ 2.74Å; E203-R211 IonicContact OE2-NE 3.22Å; E203-R211 PolarHBondContact OE2-NE 3.2Å; E203-R211 IonicContact OE2-NH2 3.13Å; E203-R211 PolarHBondContact OE2-NH2 3.02Å
204	N	93.7	Very high	95.6	Very high	88 Å²	88	37.2 Å²	37.2	47%	0.471	22%	0.219	S	C	.	.			trans	-92.6	153.8	167.8	71.6	62.8	0	0	0	109.9	T206 S207 T208	N204-T206 PolarHBondContact O-N 2.62Å; N204-T206 WeakPolarHBondContact OD1-CA 3.14Å; N204-T206 VanDerWaalsContact OD1-CB 3.31Å; N204-T206 WeakPolarHBondContact OD1-CB 3.27Å; N204-T206 PolarHBondContact OD1-N 3.24Å; N204-S207 PolarHBondContact ND2-OG 3.22Å; N204-S207 PolarHBondContact O-N 3.05Å; N204-S207 VanDerWaalsContact O-N 3.09Å; N204-S207 PolarHBondContact OD1-N 2.81Å; N204-S207 PolarHBondContact OD1-OG 3.4Å; N204-T208 PolarHBondContact O-N 3.1Å; N204-T208 VanDerWaalsContact O-N 3.15Å; N204-T208 PolarHBondContact O-OG1 3.02Å
205	Y	94.7	Very high	95.5	Very high	87 Å²	87	40 Å²	40	34%	0.341	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-27.1	-176.3	74.9	-93.4	0	0	0	113.7	T208 L209 V264 V266	Y205-T208 WeakPolarHBondContact O-CB 3.42Å; Y205-T208 PolarHBondContact O-N 3.07Å; Y205-L209 HydrophobicContact CD2-CD1 3.97Å; Y205-L209 HydrophobicContact CE2-CD1 4.31Å; Y205-L209 VanDerWaalsContact O-CG 3.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.34Å; Y205-L209 PolarHBondContact O-N 2.94Å; Y205-V264 HydrophobicContact CD1-CG2 4.47Å; Y205-V264 HydrophobicContact CD2-CB 4.11Å; Y205-V264 HydrophobicContact CD2-CG1 3.87Å; Y205-V264 HydrophobicContact CD2-CG2 4.43Å; Y205-V264 HydrophobicContact CE2-CG1 3.95Å; Y205-V264 HydrophobicContact CG-CB 4.3Å; Y205-V264 HydrophobicContact CG-CG1 4.41Å; Y205-V264 HydrophobicContact CG-CG2 4.16Å; Y205-V266 HydrophobicContact CE2-CG2 4.45Å
206	T	95.2	Very high	95.3	Very high	56 Å²	56	41.1 Å²	41.1	34%	0.344	24%	0.237	S	C	.	.	H	α-helix	trans	-70	-40	179.4	-58.1	0	0	0	0	111.6	N204 L209 K210	N204-T206 PolarHBondContact O-N 2.62Å; N204-T206 WeakPolarHBondContact OD1-CA 3.14Å; N204-T206 VanDerWaalsContact OD1-CB 3.31Å; N204-T206 WeakPolarHBondContact OD1-CB 3.27Å; N204-T206 PolarHBondContact OD1-N 3.24Å; T206-L209 PolarHBondContact O-N 2.87Å; T206-K210 PolarHBondContact O-N 3.02Å
207	S	96.1	Very high	95.3	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-63.5	-43.7	171.3	-62.7	0	0	0	0	110.8	N204 L209 K210 R211	N204-S207 PolarHBondContact ND2-OG 3.22Å; N204-S207 PolarHBondContact O-N 3.05Å; N204-S207 VanDerWaalsContact O-N 3.09Å; N204-S207 PolarHBondContact OD1-N 2.81Å; N204-S207 PolarHBondContact OD1-OG 3.4Å; S207-L209 PolarHBondContact O-N 2.85Å; S207-K210 PolarHBondContact O-N 3.46Å; S207-R211 WeakPolarHBondContact O-CB 3.23Å; S207-R211 PolarHBondContact O-N 3.27Å
208	T	97.3	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-47.2	176.1	-49.4	0	0	0	0	111.7	A153 M198 V199 E203 N204 Y205 K210 R211 E212	A153-T208 HydrophobicContact CB-CG2 3.68Å; M198-T208 WeakPolarHBondContact O-CG2 3.26Å; V199-T208 HydrophobicContact CG2-CG2 4.05Å; E203-T208 PolarHBondContact OE1-N 3.44Å; E203-T208 WeakPolarHBondContact OE2-CB 3.48Å; E203-T208 PolarHBondContact OE2-OG1 2.98Å; N204-T208 PolarHBondContact O-N 3.1Å; N204-T208 VanDerWaalsContact O-N 3.15Å; N204-T208 PolarHBondContact O-OG1 3.02Å; Y205-T208 WeakPolarHBondContact O-CB 3.42Å; Y205-T208 PolarHBondContact O-N 3.07Å; T208-K210 VanDerWaalsContact C-N 3.27Å; T208-K210 PolarHBondContact O-N 3.09Å; T208-R211 PolarHBondContact O-N 3.28Å; T208-E212 HydrophobicContact CG2-CG 3.75Å; T208-E212 VanDerWaalsContact O-CB 3.28Å; T208-E212 WeakPolarHBondContact O-CB 3.49Å; T208-E212 VanDerWaalsContact O-CG 3.24Å; T208-E212 WeakPolarHBondContact O-CG 3.29Å; T208-E212 PolarHBondContact O-N 3.12Å
209	L	97.6	Very high	95.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-53.9	-44.6	178.2	-71.5	167.1	0	0	0	112.1	A153 D154 P155 Y205 T206 S207 F213 V266 F268	A153-L209 HydrophobicContact CB-CD2 3.77Å; A153-L209 HydrophobicContact CB-CG 3.89Å; D154-L209 VanDerWaalsContact C-CD2 3.42Å; P155-L209 HydrophobicContact CB-CB 4.29Å; P155-L209 HydrophobicContact CB-CD2 3.82Å; P155-L209 HydrophobicContact CG-CD2 4.32Å; P155-L209 VanDerWaalsContact N-CD2 3.33Å; Y205-L209 HydrophobicContact CD2-CD1 3.97Å; Y205-L209 HydrophobicContact CE2-CD1 4.31Å; Y205-L209 VanDerWaalsContact O-CG 3.25Å; Y205-L209 WeakPolarHBondContact O-CG 3.34Å; Y205-L209 PolarHBondContact O-N 2.94Å; T206-L209 PolarHBondContact O-N 2.87Å; S207-L209 PolarHBondContact O-N 2.85Å; L209-F213 VanDerWaalsContact O-CB 3.28Å; L209-F213 WeakPolarHBondContact O-CB 3.4Å; L209-F213 PolarHBondContact O-N 2.92Å; L209-V266 HydrophobicContact CD1-CB 3.79Å; L209-V266 HydrophobicContact CD1-CG1 4.42Å; L209-V266 HydrophobicContact CD1-CG2 3.55Å; L209-V266 HydrophobicContact CD2-CB 4.33Å; L209-V266 HydrophobicContact CD2-CG2 4.41Å; L209-F268 HydrophobicContact CD1-CE2 4.17Å; L209-F268 HydrophobicContact CD1-CZ 4.13Å
210	K	96.6	Very high	94.9	Very high	49 Å²	49	37.6 Å²	37.6	21%	0.213	21%	0.213	C	C	.	.	H	α-helix	trans	-71.6	-45.2	-178.7	-66.5	176.4	172.7	-170.3	0	111.6	T206 S207 T208 S214 V235 D236 F239	T206-K210 PolarHBondContact O-N 3.02Å; S207-K210 PolarHBondContact O-N 3.46Å; T208-K210 VanDerWaalsContact C-N 3.27Å; T208-K210 PolarHBondContact O-N 3.09Å; K210-S214 WeakPolarHBondContact O-CB 3.34Å; K210-S214 PolarHBondContact O-N 2.84Å; K210-S214 PolarHBondContact O-OG 2.61Å; K210-V235 HydrophobicContact CB-CG1 3.82Å; K210-V235 HydrophobicContact CG-CG1 3.93Å; K210-D236 VanDerWaalsContact CD-OD1 3.29Å; K210-D236 WeakPolarHBondContact CD-OD1 3.2Å; K210-D236 WeakPolarHBondContact CE-OD1 3.05Å; K210-D236 IonicContact NZ-OD1 3.64Å; K210-D236 PolarHBondContact NZ-OD1 2.75Å; K210-F239 HydrophobicContact CB-CD1 4.44Å; K210-F239 HydrophobicContact CG-CB 4.19Å; K210-F239 HydrophobicContact CG-CD1 3.69Å; K210-F239 HydrophobicContact CG-CG 4.31Å
211	R	96.6	Very high	94.8	Very high	49 Å²	49	36.9 Å²	36.9	19%	0.185	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-57.5	178.7	179.6	179.9	54.7	69.4	-1.9	110.5	M198 D200 E203 S207 T208 F213 S214 E215	M198-R211 PolarHBondContact O-NH2 2.87Å; D200-R211 IonicContact OD2-CZ 2.82Å; D200-R211 IonicContact OD2-NE 2.73Å; D200-R211 IonicContact OD2-NH2 3.57Å; E203-R211 IonicContact OE1-CZ 2.76Å; E203-R211 IonicContact OE1-NE 3.42Å; E203-R211 PolarHBondContact OE1-NE 3.4Å; E203-R211 VanDerWaalsContact OE1-NE 3.07Å; E203-R211 IonicContact OE1-NH2 3.85Å; E203-R211 IonicContact OE2-CZ 2.74Å; E203-R211 IonicContact OE2-NE 3.22Å; E203-R211 PolarHBondContact OE2-NE 3.2Å; E203-R211 IonicContact OE2-NH2 3.13Å; E203-R211 PolarHBondContact OE2-NH2 3.02Å; S207-R211 WeakPolarHBondContact O-CB 3.23Å; S207-R211 PolarHBondContact O-N 3.27Å; T208-R211 PolarHBondContact O-N 3.28Å; R211-F213 VanDerWaalsContact C-N 3.32Å; R211-F213 PolarHBondContact O-N 2.92Å; R211-S214 WeakPolarHBondContact O-CA 3.45Å; R211-S214 WeakPolarHBondContact O-CB 3.49Å; R211-S214 PolarHBondContact O-N 2.78Å; R211-E215 HydrophobicContact CG-CG 4.22Å; R211-E215 WeakPolarHBondContact CG-OE1 3.49Å; R211-E215 IonicContact NH1-OE2 2.68Å; R211-E215 PolarHBondContact NH1-OE2 2.92Å; R211-E215 VanDerWaalsContact NH1-OE2 3.07Å; R211-E215 WeakPolarHBondContact O-CG 3.43Å; R211-E215 PolarHBondContact O-N 2.88Å
212	E	96.1	Very high	94.8	Very high	15 Å²	15	38.4 Å²	38.4	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-45.4	-177.8	-69.4	-67	167.1	0	0	111.6	G197 M198 T208 S214 E215 E216	G197-E212 WeakPolarHBondContact CA-OE1 3.45Å; G197-E212 WeakPolarHBondContact CA-OE2 3.21Å; M198-E212 PolarHBondContact N-OE1 3.26Å; T208-E212 HydrophobicContact CG2-CG 3.75Å; T208-E212 VanDerWaalsContact O-CB 3.28Å; T208-E212 WeakPolarHBondContact O-CB 3.49Å; T208-E212 VanDerWaalsContact O-CG 3.24Å; T208-E212 WeakPolarHBondContact O-CG 3.29Å; T208-E212 PolarHBondContact O-N 3.12Å; E212-S214 VanDerWaalsContact C-N 3.33Å; E212-S214 PolarHBondContact O-N 3.26Å; E212-E215 PolarHBondContact O-N 2.82Å; E212-E216 VanDerWaalsContact O-CB 3.24Å; E212-E216 WeakPolarHBondContact O-CB 3.48Å; E212-E216 WeakPolarHBondContact O-CG 3.3Å; E212-E216 PolarHBondContact O-N 3.28Å
213	F	95.9	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-40.4	177.1	-172.1	-89.1	0	0	0	112.5	P155 V157 V182 P195 L209 R211 A217 L218 V235 F239 F279 L281	P155-F213 HydrophobicContact CB-CB 4.17Å; P155-F213 HydrophobicContact CB-CD2 4.35Å; P155-F213 HydrophobicContact CG-CB 3.78Å; P155-F213 HydrophobicContact CG-CD2 4.19Å; P155-F213 HydrophobicContact CG-CG 4.47Å; V157-F213 HydrophobicContact CB-CD2 4.4Å; V157-F213 HydrophobicContact CB-CE2 3.66Å; V157-F213 HydrophobicContact CB-CZ 4.1Å; V157-F213 HydrophobicContact CG1-CE2 4.28Å; V157-F213 HydrophobicContact CG1-CZ 4.22Å; V157-F213 HydrophobicContact CG2-CD2 3.65Å; V157-F213 HydrophobicContact CG2-CE1 4.47Å; V157-F213 HydrophobicContact CG2-CE2 3.33Å; V157-F213 HydrophobicContact CG2-CG 4.34Å; V157-F213 HydrophobicContact CG2-CZ 3.8Å; V182-F213 HydrophobicContact CB-CE2 4.01Å; V182-F213 HydrophobicContact CB-CZ 4.49Å; V182-F213 HydrophobicContact CG1-CE2 3.97Å; V182-F213 HydrophobicContact CG1-CZ 4.33Å; V182-F213 HydrophobicContact CG2-CE2 4.15Å; V182-F213 HydrophobicContact CG2-CZ 4.21Å; P195-F213 HydrophobicContact CG-CD2 3.81Å; P195-F213 HydrophobicContact CG-CE2 4.1Å; L209-F213 VanDerWaalsContact O-CB 3.28Å; L209-F213 WeakPolarHBondContact O-CB 3.4Å; L209-F213 PolarHBondContact O-N 2.92Å; R211-F213 VanDerWaalsContact C-N 3.32Å; R211-F213 PolarHBondContact O-N 2.92Å; F213-A217 HydrophobicContact CD1-CB 4.49Å; F213-A217 HydrophobicContact CD2-CB 4.13Å; F213-A217 HydrophobicContact CE1-CB 4.18Å; F213-A217 HydrophobicContact CE2-CB 3.83Å; F213-A217 HydrophobicContact CG-CB 4.44Å; F213-A217 HydrophobicContact CZ-CB 3.86Å; F213-A217 WeakPolarHBondContact O-CA 3.42Å; F213-A217 VanDerWaalsContact O-CB 3.3Å; F213-A217 WeakPolarHBondContact O-CB 3.34Å; F213-A217 PolarHBondContact O-N 3.27Å; F213-L218 HydrophobicContact CD1-CD1 4.15Å; F213-L218 HydrophobicContact CD1-CG 4.33Å; F213-L218 HydrophobicContact CE1-CD1 3.91Å; F213-L218 HydrophobicContact CE1-CD2 4.28Å; F213-L218 HydrophobicContact CE1-CG 3.92Å; F213-L218 PolarHBondContact O-N 2.77Å; F213-V235 HydrophobicContact CD1-CG2 4.26Å; F213-F239 HydrophobicContact CB-CE1 3.86Å; F213-F239 HydrophobicContact CB-CZ 3.7Å; F213-F239 HydrophobicContact CD1-CE2 4.26Å; F213-F239 AromaticContact CD1-CZ 3.7Å; F213-F239 HydrophobicContact CD1-CZ 3.7Å; F213-F239 AromaticContact CD2-CZ 3.98Å; F213-F239 HydrophobicContact CD2-CZ 3.98Å; F213-F239 HydrophobicContact CE1-CZ 4.39Å; F213-F239 HydrophobicContact CG-CE1 4.16Å; F213-F239 HydrophobicContact CG-CE2 4.41Å; F213-F239 AromaticContact CG-CZ 3.48Å; F213-F239 HydrophobicContact CG-CZ 3.48Å; F213-F239 VanDerWaalsContact CG-CZ 3.48Å; F213-F279 HydrophobicContact CD1-CE2 4.25Å; F213-F279 AromaticContact CE1-CD2 3.42Å; F213-F279 HydrophobicContact CE1-CD2 3.42Å; F213-F279 VanDerWaalsContact CE1-CD2 3.42Å; F213-F279 AromaticContact CE1-CE2 3.48Å; F213-F279 HydrophobicContact CE1-CE2 3.48Å; F213-F279 VanDerWaalsContact CE1-CE2 3.48Å; F213-F279 AromaticContact CZ-CD2 3.84Å; F213-F279 HydrophobicContact CZ-CD2 3.84Å; F213-F279 HydrophobicContact CZ-CE2 4.18Å; F213-L281 HydrophobicContact CZ-CD2 4.45Å
214	S	95.4	Very high	94.7	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-42.8	178.1	-57.6	0	0	0	0	111.6	K210 R211 E212 L218 N219 S220	K210-S214 WeakPolarHBondContact O-CB 3.34Å; K210-S214 PolarHBondContact O-N 2.84Å; K210-S214 PolarHBondContact O-OG 2.61Å; R211-S214 WeakPolarHBondContact O-CA 3.45Å; R211-S214 WeakPolarHBondContact O-CB 3.49Å; R211-S214 PolarHBondContact O-N 2.78Å; E212-S214 VanDerWaalsContact C-N 3.33Å; E212-S214 PolarHBondContact O-N 3.26Å; S214-L218 CarbonylContact O-C 3.57Å; S214-L218 VanDerWaalsContact O-C 3.26Å; S214-L218 WeakPolarHBondContact O-CA 3.44Å; S214-L218 WeakPolarHBondContact O-CB 3.46Å; S214-L218 PolarHBondContact O-N 2.99Å; S214-N219 PolarHBondContact O-N 3.23Å; S214-N219 VanDerWaalsContact O-N 3.1Å; S214-S220 WeakPolarHBondContact CB-OG 3.46Å; S214-S220 WeakPolarHBondContact O-CB 3.36Å; S214-S220 PolarHBondContact O-N 3.48Å; S214-S220 PolarHBondContact O-OG 3.47Å
215	E	94.5	Very high	94.8	Very high	60 Å²	60	38.4 Å²	38.4	28%	0.28	22%	0.22	S	C	.	.	H	α-helix	trans	-70.4	-52.7	-178.3	-67.9	178.3	160.4	0	0	110.5	R211 E212 N219 S220 T221 G284	R211-E215 HydrophobicContact CG-CG 4.22Å; R211-E215 WeakPolarHBondContact CG-OE1 3.49Å; R211-E215 IonicContact NH1-OE2 2.68Å; R211-E215 PolarHBondContact NH1-OE2 2.92Å; R211-E215 VanDerWaalsContact NH1-OE2 3.07Å; R211-E215 WeakPolarHBondContact O-CG 3.43Å; R211-E215 PolarHBondContact O-N 2.88Å; E212-E215 PolarHBondContact O-N 2.82Å; E215-N219 WeakPolarHBondContact O-CA 3.49Å; E215-N219 PolarHBondContact O-N 2.75Å; E215-S220 WeakPolarHBondContact CA-OG 3.28Å; E215-S220 WeakPolarHBondContact CG-OG 3.24Å; E215-S220 PolarHBondContact N-OG 2.83Å; E215-T221 HydrophobicContact CB-CG2 3.98Å; E215-T221 HydrophobicContact CG-CG2 3.73Å; E215-G284 VanDerWaalsContact O-CA 3.22Å; E215-G284 WeakPolarHBondContact O-CA 3.28Å
216	E	92.7	Very high	94.8	Very high	23 Å²	23	42.3 Å²	42.3	11%	0.107	24%	0.239	C	C	.	.	H	α-helix	trans	-80.8	-35	-170	-67.8	-71.9	-169.6	0	0	113.8	I184 P195 E212 G284	I184-E216 HydrophobicContact CD1-CB 4.24Å; I184-E216 HydrophobicContact CD1-CG 4.37Å; I184-E216 HydrophobicContact CG2-CB 4.47Å; P195-E216 HydrophobicContact CB-CB 3.81Å; E212-E216 VanDerWaalsContact O-CB 3.24Å; E212-E216 WeakPolarHBondContact O-CB 3.48Å; E212-E216 WeakPolarHBondContact O-CG 3.3Å; E212-E216 PolarHBondContact O-N 3.28Å; E216-G284 PolarHBondContact O-N 3.48Å
217	A	94.9	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-109.2	-16.4	-173.5	0	0	0	0	0	114.4	V182 P195 F213 L281 T282 V290	V182-A217 HydrophobicContact CG1-CB 3.91Å; P195-A217 HydrophobicContact CB-CB 4.24Å; P195-A217 HydrophobicContact CG-CB 4.35Å; F213-A217 HydrophobicContact CD1-CB 4.49Å; F213-A217 HydrophobicContact CD2-CB 4.13Å; F213-A217 HydrophobicContact CE1-CB 4.18Å; F213-A217 HydrophobicContact CE2-CB 3.83Å; F213-A217 HydrophobicContact CG-CB 4.44Å; F213-A217 HydrophobicContact CZ-CB 3.86Å; F213-A217 WeakPolarHBondContact O-CA 3.42Å; F213-A217 VanDerWaalsContact O-CB 3.3Å; F213-A217 WeakPolarHBondContact O-CB 3.34Å; F213-A217 PolarHBondContact O-N 3.27Å; A217-L281 HydrophobicContact CB-CD2 4.42Å; A217-L281 WeakPolarHBondContact O-CA 3.24Å; A217-T282 CarbonylContact C-O 3.6Å; A217-T282 PolarHBondContact O-N 2.99Å; A217-T282 VanDerWaalsContact O-O 3.06Å; A217-V290 HydrophobicContact CB-CG2 4.12Å
218	L	94.7	Very high	94.7	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-121.8	2.9	178.6	-53.5	177.1	0	0	0	113.5	F213 S214 S220 I231 V235 F279 L281 T282	F213-L218 HydrophobicContact CD1-CD1 4.15Å; F213-L218 HydrophobicContact CD1-CG 4.33Å; F213-L218 HydrophobicContact CE1-CD1 3.91Å; F213-L218 HydrophobicContact CE1-CD2 4.28Å; F213-L218 HydrophobicContact CE1-CG 3.92Å; F213-L218 PolarHBondContact O-N 2.77Å; S214-L218 CarbonylContact O-C 3.57Å; S214-L218 VanDerWaalsContact O-C 3.26Å; S214-L218 WeakPolarHBondContact O-CA 3.44Å; S214-L218 WeakPolarHBondContact O-CB 3.46Å; S214-L218 PolarHBondContact O-N 2.99Å; L218-S220 VanDerWaalsContact C-N 3.3Å; L218-S220 PolarHBondContact O-N 3.35Å; L218-I231 HydrophobicContact CB-CD1 4.3Å; L218-I231 HydrophobicContact CB-CG1 4.45Å; L218-I231 HydrophobicContact CB-CG2 4.14Å; L218-I231 HydrophobicContact CD1-CG2 3.72Å; L218-V235 HydrophobicContact CD1-CG2 3.61Å; L218-F279 HydrophobicContact CD1-CD2 4.04Å; L218-F279 HydrophobicContact CD1-CE2 4.11Å; L218-F279 HydrophobicContact CD2-CB 3.97Å; L218-F279 HydrophobicContact CD2-CD2 3.95Å; L218-F279 HydrophobicContact CD2-CG 4.25Å; L218-F279 HydrophobicContact CG-CD2 4.5Å; L218-L281 HydrophobicContact CD2-CD2 4.21Å; L218-T282 PolarHBondContact N-O 3.28Å
219	N	92.9	Very high	94.6	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	28%	0.28	C	S	.	.			trans	53.1	43.6	178	-171.7	30	0	0	0	113.3	S214 E215 T221 T222 T282	S214-N219 PolarHBondContact O-N 3.23Å; S214-N219 VanDerWaalsContact O-N 3.1Å; E215-N219 WeakPolarHBondContact O-CA 3.49Å; E215-N219 PolarHBondContact O-N 2.75Å; N219-T221 PolarHBondContact O-N 3.38Å; N219-T222 PolarHBondContact ND2-OG1 2.86Å; N219-T222 PolarHBondContact OD1-OG1 2.79Å; N219-T282 HydrophobicContact CB-CG2 3.72Å; N219-T282 PolarHBondContact N-O 3.29Å
220	S	93.2	Very high	94.4	Very high	12 Å²	12	55.4 Å²	55.4	8%	0.084	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-67.2	-19.7	-177.6	64.2	0	0	0	0	114	S214 E215 L218 T222 A223	S214-S220 WeakPolarHBondContact CB-OG 3.46Å; S214-S220 WeakPolarHBondContact O-CB 3.36Å; S214-S220 PolarHBondContact O-N 3.48Å; S214-S220 PolarHBondContact O-OG 3.47Å; E215-S220 WeakPolarHBondContact CA-OG 3.28Å; E215-S220 WeakPolarHBondContact CG-OG 3.24Å; E215-S220 PolarHBondContact N-OG 2.83Å; L218-S220 VanDerWaalsContact C-N 3.3Å; L218-S220 PolarHBondContact O-N 3.35Å; S220-T222 VanDerWaalsContact C-N 3.29Å; S220-T222 PolarHBondContact O-N 3.49Å; S220-A223 PolarHBondContact O-N 3.12Å
221	T	92.1	Very high	94.2	Very high	70 Å²	70	54.4 Å²	54.4	43%	0.429	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.3	-28.7	-178.2	55.3	0	0	0	0	113.3	E215 N219 D285	E215-T221 HydrophobicContact CB-CG2 3.98Å; E215-T221 HydrophobicContact CG-CG2 3.73Å; N219-T221 PolarHBondContact O-N 3.38Å; T221-D285 WeakPolarHBondContact CB-OD2 3.38Å; T221-D285 PolarHBondContact OG1-OD2 2.79Å
222	T	92.3	Very high	94.1	Very high	84 Å²	84	55.1 Å²	55.1	52%	0.515	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-111.6	4.5	-179.7	60.8	0	0	0	0	113.2	N219 S220	N219-T222 PolarHBondContact ND2-OG1 2.86Å; N219-T222 PolarHBondContact OD1-OG1 2.79Å; S220-T222 VanDerWaalsContact C-N 3.29Å; S220-T222 PolarHBondContact O-N 3.49Å
223	A	91.7	Very high	93.9	Very high	27 Å²	27	60.5 Å²	60.5	22%	0.223	33%	0.332	C	S	.	.			trans	-69.8	147.8	179.9	0	0	0	0	0	112.3	S220 E227 L228 I231	S220-A223 PolarHBondContact O-N 3.12Å; A223-E227 HydrophobicContact CB-CB 3.96Å; A223-L228 HydrophobicContact CB-CB 4.37Å; A223-I231 HydrophobicContact CB-CD1 4.24Å
224	S	94.9	Very high	93.7	Very high	59 Å²	59	64.5 Å²	64.5	41%	0.413	35%	0.347	S	S	.	.			trans	-64.5	158.7	168	67.9	0	0	0	0	110.9	K226 E227 L228	S224-K226 PolarHBondContact O-N 3.48Å; S224-K226 VanDerWaalsContact O-N 3.08Å; S224-E227 VanDerWaalsContact CB-OE2 3.24Å; S224-E227 WeakPolarHBondContact CB-OE2 3.42Å; S224-E227 PolarHBondContact N-OE2 3.2Å; S224-E227 PolarHBondContact O-N 2.93Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.35Å; S224-E227 PolarHBondContact OG-N 2.98Å; S224-E227 PolarHBondContact OG-OE2 3.05Å; S224-L228 WeakPolarHBondContact O-CB 3.26Å; S224-L228 PolarHBondContact O-N 3.24Å
225	S	95.8	Very high	93.6	Very high	107 Å²	107	64.2 Å²	64.2	75%	0.748	35%	0.345	S	S	*	.	H	α-helix	trans	-53	-37.4	-179	-52.6	0	0	0	0	113.5	E229	S225-E229 WeakPolarHBondContact O-CB 3.43Å; S225-E229 PolarHBondContact O-N 3.15Å
226	K	95.4	Very high	93.5	Very high	170 Å²	170	64.2 Å²	64.2	74%	0.739	35%	0.347	S	S	*	.	H	α-helix	trans	-71.6	-40.2	178.7	-176.9	179.5	177.5	-177.7	0	112.3	S224 A230	S224-K226 PolarHBondContact O-N 3.48Å; S224-K226 VanDerWaalsContact O-N 3.08Å; K226-A230 PolarHBondContact O-N 3.37Å; K226-A230 VanDerWaalsContact O-N 3.12Å
227	E	93.5	Very high	93.4	Very high	110 Å²	110	67.4 Å²	67.4	51%	0.514	37%	0.365	S	S	.	.	H	α-helix	trans	-67.7	-41.3	175.9	-72.1	163.4	143.3	0	0	110.7	A223 S224 A230 I231	A223-E227 HydrophobicContact CB-CB 3.96Å; S224-E227 VanDerWaalsContact CB-OE2 3.24Å; S224-E227 WeakPolarHBondContact CB-OE2 3.42Å; S224-E227 PolarHBondContact N-OE2 3.2Å; S224-E227 PolarHBondContact O-N 2.93Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.35Å; S224-E227 PolarHBondContact OG-N 2.98Å; S224-E227 PolarHBondContact OG-OE2 3.05Å; E227-A230 PolarHBondContact O-N 2.71Å; E227-I231 WeakPolarHBondContact O-CB 3.34Å; E227-I231 VanDerWaalsContact O-CG1 3.3Å; E227-I231 WeakPolarHBondContact O-CG1 3.35Å; E227-I231 PolarHBondContact O-N 3.49Å
228	L	94.3	Very high	93.2	Very high	70 Å²	70	68.1 Å²	68.1	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-47.9	175.1	179.7	62.3	0	0	0	111.4	A223 S224 A230 I231 V232	A223-L228 HydrophobicContact CB-CB 4.37Å; S224-L228 WeakPolarHBondContact O-CB 3.26Å; S224-L228 PolarHBondContact O-N 3.24Å; L228-A230 VanDerWaalsContact C-N 3.3Å; L228-A230 PolarHBondContact O-N 2.95Å; L228-I231 PolarHBondContact O-N 3.43Å; L228-V232 HydrophobicContact CD1-CG2 4.06Å; L228-V232 HydrophobicContact CG-CG2 4.38Å; L228-V232 WeakPolarHBondContact O-CB 3.17Å; L228-V232 VanDerWaalsContact O-CG2 3.31Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 2.91Å
229	E	95.4	Very high	93.1	Very high	145 Å²	145	68 Å²	68	68%	0.678	37%	0.37	S	S	*	.	H	α-helix	trans	-58.6	-42.5	176	-173.8	-178.1	-176.4	0	0	111.6	S225 K233	S225-E229 WeakPolarHBondContact O-CB 3.43Å; S225-E229 PolarHBondContact O-N 3.15Å; E229-K233 VanDerWaalsContact O-CB 3.28Å; E229-K233 WeakPolarHBondContact O-CB 3.48Å; E229-K233 PolarHBondContact O-N 2.62Å
230	A	93.2	Very high	92.7	Very high	59 Å²	59	71.4 Å²	71.4	49%	0.488	39%	0.385	S	S	.	.	H	α-helix	trans	-65.9	-40.6	176.9	0	0	0	0	0	112.6	K226 E227 L228 R234	K226-A230 PolarHBondContact O-N 3.37Å; K226-A230 VanDerWaalsContact O-N 3.12Å; E227-A230 PolarHBondContact O-N 2.71Å; L228-A230 VanDerWaalsContact C-N 3.3Å; L228-A230 PolarHBondContact O-N 2.95Å; A230-R234 WeakPolarHBondContact O-CB 3.22Å; A230-R234 PolarHBondContact O-N 2.9Å
231	I	93.1	Very high	92.4	Very high	28 Å²	28	79.6 Å²	79.6	14%	0.144	42%	0.421	C	S	.	.	H	α-helix	trans	-62.5	-53.7	175.5	-73.3	165	0	0	0	109.8	L218 A223 E227 L228 K233 R234 V235	L218-I231 HydrophobicContact CB-CD1 4.3Å; L218-I231 HydrophobicContact CB-CG1 4.45Å; L218-I231 HydrophobicContact CB-CG2 4.14Å; L218-I231 HydrophobicContact CD1-CG2 3.72Å; A223-I231 HydrophobicContact CB-CD1 4.24Å; E227-I231 WeakPolarHBondContact O-CB 3.34Å; E227-I231 VanDerWaalsContact O-CG1 3.3Å; E227-I231 WeakPolarHBondContact O-CG1 3.35Å; E227-I231 PolarHBondContact O-N 3.49Å; L228-I231 PolarHBondContact O-N 3.43Å; I231-K233 PolarHBondContact O-N 2.79Å; I231-R234 PolarHBondContact O-N 2.93Å; I231-R234 VanDerWaalsContact O-N 3.13Å; I231-V235 HydrophobicContact CG2-CG2 4.35Å; I231-V235 WeakPolarHBondContact O-CG2 3.36Å; I231-V235 PolarHBondContact O-N 3.38Å
232	V	93.4	Very high	92.5	Very high	65 Å²	65	77.9 Å²	77.9	39%	0.394	42%	0.417	S	S	.	.	H	α-helix	trans	-57.4	-50.7	-178.6	169.6	0	0	0	0	110.3	L228 R234 V235 D236	L228-V232 HydrophobicContact CD1-CG2 4.06Å; L228-V232 HydrophobicContact CG-CG2 4.38Å; L228-V232 WeakPolarHBondContact O-CB 3.17Å; L228-V232 VanDerWaalsContact O-CG2 3.31Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 2.91Å; V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.41Å; V232-V235 PolarHBondContact O-N 3.27Å; V232-D236 WeakPolarHBondContact O-CB 3.28Å; V232-D236 PolarHBondContact O-N 2.83Å
233	K	93.3	Very high	92.8	Very high	127 Å²	127	76 Å²	76	55%	0.552	41%	0.406	S	S	*	.	H	α-helix	trans	-56.6	-45	177.7	-177.5	-177.8	-178.2	-60.5	0	111.5	E229 I231 D236 D237	E229-K233 VanDerWaalsContact O-CB 3.28Å; E229-K233 WeakPolarHBondContact O-CB 3.48Å; E229-K233 PolarHBondContact O-N 2.62Å; I231-K233 PolarHBondContact O-N 2.79Å; K233-D236 PolarHBondContact O-N 2.96Å; K233-D237 IonicContact NZ-OD2 3.78Å; K233-D237 PolarHBondContact NZ-OD2 2.74Å; K233-D237 WeakPolarHBondContact O-CB 3.47Å; K233-D237 PolarHBondContact O-N 2.87Å
234	R	90.8	Very high	93.1	Very high	84 Å²	84	79 Å²	79	32%	0.317	42%	0.415	S	S	.	.	H	α-helix	trans	-69	-39.4	-176.7	-171.3	178	-171.2	179.3	-2.4	112.4	A230 I231 V232 A238 C275 L278 F279	A230-R234 WeakPolarHBondContact O-CB 3.22Å; A230-R234 PolarHBondContact O-N 2.9Å; I231-R234 PolarHBondContact O-N 2.93Å; I231-R234 VanDerWaalsContact O-N 3.13Å; V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.41Å; R234-A238 WeakPolarHBondContact O-CB 3.48Å; R234-A238 PolarHBondContact O-N 3.11Å; R234-C275 PolarHBondContact NH2-O 2.67Å; R234-L278 PolarHBondContact NH1-O 3.07Å; R234-L278 VanDerWaalsContact NH1-O 3.15Å; R234-L278 PolarHBondContact NH2-O 3.01Å; R234-F279 HydrophobicContact CG-CD1 4.27Å; R234-F279 HydrophobicContact CG-CE1 3.47Å; R234-F279 VanDerWaalsContact CG-CE1 3.47Å; R234-F279 HydrophobicContact CG-CZ 3.93Å; R234-F279 VanDerWaalsContact CZ-CD1 3.43Å
235	V	93.7	Very high	93.2	Very high	1 Å²	1	77.4 Å²	77.4	1%	0.006	40%	0.401	C	S	.	.	H	α-helix	trans	-67.8	-42.4	174.7	170.4	0	0	0	0	110	K210 F213 L218 I231 V232 D237 A238 F239 F279	K210-V235 HydrophobicContact CB-CG1 3.82Å; K210-V235 HydrophobicContact CG-CG1 3.93Å; F213-V235 HydrophobicContact CD1-CG2 4.26Å; L218-V235 HydrophobicContact CD1-CG2 3.61Å; I231-V235 HydrophobicContact CG2-CG2 4.35Å; I231-V235 WeakPolarHBondContact O-CG2 3.36Å; I231-V235 PolarHBondContact O-N 3.38Å; V232-V235 PolarHBondContact O-N 3.27Å; V235-D237 PolarHBondContact O-N 3.42Å; V235-A238 PolarHBondContact O-N 3.34Å; V235-F239 HydrophobicContact CG1-CD1 3.91Å; V235-F239 HydrophobicContact CG1-CD2 4.14Å; V235-F239 HydrophobicContact CG1-CE1 4.07Å; V235-F239 HydrophobicContact CG1-CE2 4.29Å; V235-F239 HydrophobicContact CG1-CG 3.95Å; V235-F239 HydrophobicContact CG1-CZ 4.27Å; V235-F239 WeakPolarHBondContact O-CB 3.34Å; V235-F239 PolarHBondContact O-N 2.78Å; V235-F279 HydrophobicContact CG2-CE2 4.1Å; V235-F279 HydrophobicContact CG2-CZ 4.33Å
236	D	92.9	Very high	93.3	Very high	61 Å²	61	75.4 Å²	75.4	33%	0.326	38%	0.378	S	S	.	.	H	α-helix	trans	-56.9	-51.2	174.4	-85.7	-20.7	0	0	0	111.8	K210 V232 K233 A238 F239 H240	K210-D236 VanDerWaalsContact CD-OD1 3.29Å; K210-D236 WeakPolarHBondContact CD-OD1 3.2Å; K210-D236 WeakPolarHBondContact CE-OD1 3.05Å; K210-D236 IonicContact NZ-OD1 3.64Å; K210-D236 PolarHBondContact NZ-OD1 2.75Å; V232-D236 WeakPolarHBondContact O-CB 3.28Å; V232-D236 PolarHBondContact O-N 2.83Å; K233-D236 PolarHBondContact O-N 2.96Å; D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.1Å; D236-F239 PolarHBondContact O-N 2.92Å; D236-H240 PolarHBondContact O-CD2 3.38Å; D236-H240 PolarHBondContact O-CE1 3.48Å; D236-H240 VanDerWaalsContact O-CE1 3.28Å; D236-H240 PolarHBondContact O-NE2 3.05Å; D236-H240 VanDerWaalsContact O-NE2 3.1Å
237	D	90.1	Very high	93.4	Very high	89 Å²	89	71.5 Å²	71.5	48%	0.476	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-32.6	179.3	-70.4	-20.8	0	0	0	112.1	K233 V235 H240	K233-D237 IonicContact NZ-OD2 3.78Å; K233-D237 PolarHBondContact NZ-OD2 2.74Å; K233-D237 WeakPolarHBondContact O-CB 3.47Å; K233-D237 PolarHBondContact O-N 2.87Å; V235-D237 PolarHBondContact O-N 3.42Å; D237-H240 PolarHBondContact O-CD2 3.42Å
238	A	89.6	Confident	93.6	Very high	15 Å²	15	66.3 Å²	66.3	12%	0.124	34%	0.337	C	S	.	.	H	α-helix	trans	-91.4	-26.4	-175.5	0	0	0	0	0	113.5	R234 V235 D236 H240 L276 F279	R234-A238 WeakPolarHBondContact O-CB 3.48Å; R234-A238 PolarHBondContact O-N 3.11Å; V235-A238 PolarHBondContact O-N 3.34Å; D236-A238 VanDerWaalsContact C-N 3.26Å; D236-A238 PolarHBondContact O-N 3.1Å; A238-H240 PolarHBondContact O-N 3.35Å; A238-H240 VanDerWaalsContact O-N 3.1Å; A238-L276 HydrophobicContact CB-CD2 3.42Å; A238-L276 VanDerWaalsContact CB-CD2 3.42Å; A238-L276 HydrophobicContact CB-CG 3.96Å; A238-F279 HydrophobicContact CB-CE1 4.31Å; A238-F279 HydrophobicContact CB-CZ 3.84Å
239	F	93.4	Very high	93.8	Very high	11 Å²	11	63.7 Å²	63.7	5%	0.048	32%	0.322	C	S	.	.	S	Bend	trans	-89.6	41.9	-178	-76.6	-152.2	0	0	0	110.9	P155 V157 K210 F213 V235 D236 F268 L276	P155-F239 HydrophobicContact CB-CE1 3.92Å; P155-F239 HydrophobicContact CB-CZ 4.22Å; V157-F239 HydrophobicContact CG2-CE2 3.58Å; V157-F239 HydrophobicContact CG2-CZ 3.53Å; K210-F239 HydrophobicContact CB-CD1 4.44Å; K210-F239 HydrophobicContact CG-CB 4.19Å; K210-F239 HydrophobicContact CG-CD1 3.69Å; K210-F239 HydrophobicContact CG-CG 4.31Å; F213-F239 HydrophobicContact CB-CE1 3.86Å; F213-F239 HydrophobicContact CB-CZ 3.7Å; F213-F239 HydrophobicContact CD1-CE2 4.26Å; F213-F239 AromaticContact CD1-CZ 3.7Å; F213-F239 HydrophobicContact CD1-CZ 3.7Å; F213-F239 AromaticContact CD2-CZ 3.98Å; F213-F239 HydrophobicContact CD2-CZ 3.98Å; F213-F239 HydrophobicContact CE1-CZ 4.39Å; F213-F239 HydrophobicContact CG-CE1 4.16Å; F213-F239 HydrophobicContact CG-CE2 4.41Å; F213-F239 AromaticContact CG-CZ 3.48Å; F213-F239 HydrophobicContact CG-CZ 3.48Å; F213-F239 VanDerWaalsContact CG-CZ 3.48Å; V235-F239 HydrophobicContact CG1-CD1 3.91Å; V235-F239 HydrophobicContact CG1-CD2 4.14Å; V235-F239 HydrophobicContact CG1-CE1 4.07Å; V235-F239 HydrophobicContact CG1-CE2 4.29Å; V235-F239 HydrophobicContact CG1-CG 3.95Å; V235-F239 HydrophobicContact CG1-CZ 4.27Å; V235-F239 WeakPolarHBondContact O-CB 3.34Å; V235-F239 PolarHBondContact O-N 2.78Å; D236-F239 PolarHBondContact O-N 2.92Å; F239-F268 HydrophobicContact CB-CD1 3.99Å; F239-F268 HydrophobicContact CB-CE1 3.68Å; F239-F268 HydrophobicContact CB-CZ 4.04Å; F239-F268 HydrophobicContact CD1-CD2 4.09Å; F239-F268 HydrophobicContact CD1-CE1 4.29Å; F239-F268 AromaticContact CD1-CE2 3.76Å; F239-F268 HydrophobicContact CD1-CE2 3.76Å; F239-F268 AromaticContact CD1-CZ 3.86Å; F239-F268 HydrophobicContact CD1-CZ 3.86Å; F239-F268 HydrophobicContact CD2-CB 4.43Å; F239-F268 HydrophobicContact CD2-CD1 4.28Å; F239-F268 HydrophobicContact CD2-CD2 4.34Å; F239-F268 HydrophobicContact CD2-CG 4.1Å; F239-F268 HydrophobicContact CE1-CD2 4.12Å; F239-F268 AromaticContact CE1-CE2 3.99Å; F239-F268 HydrophobicContact CE1-CE2 3.99Å; F239-F268 HydrophobicContact CE2-CD2 4.37Å; F239-F268 HydrophobicContact CE2-CG 4.4Å; F239-F268 HydrophobicContact CG-CD1 4.06Å; F239-F268 HydrophobicContact CG-CD2 4.21Å; F239-F268 AromaticContact CG-CE1 3.99Å; F239-F268 HydrophobicContact CG-CE1 3.99Å; F239-F268 HydrophobicContact CG-CE2 4.16Å; F239-F268 HydrophobicContact CG-CG 4.15Å; F239-F268 HydrophobicContact CG-CZ 4.04Å; F239-F268 HydrophobicContact CZ-CD2 4.25Å; F239-L276 HydrophobicContact CD2-CD2 4.04Å; F239-L276 HydrophobicContact CE2-CD2 3.73Å
240	H	85.5	Confident	93.9	Very high	106 Å²	106	57 Å²	57	49%	0.491	29%	0.291	S	S	.	.	S	Bend	trans	-98.6	149.1	167.6	-64.6	-49.9	0	0	0	109.5	D236 D237 A238 G242	D236-H240 PolarHBondContact O-CD2 3.38Å; D236-H240 PolarHBondContact O-CE1 3.48Å; D236-H240 VanDerWaalsContact O-CE1 3.28Å; D236-H240 PolarHBondContact O-NE2 3.05Å; D236-H240 VanDerWaalsContact O-NE2 3.1Å; D237-H240 PolarHBondContact O-CD2 3.42Å; A238-H240 PolarHBondContact O-N 3.35Å; A238-H240 VanDerWaalsContact O-N 3.1Å; H240-G242 VanDerWaalsContact C-N 3.31Å; H240-G242 PolarHBondContact O-N 2.79Å
241	H	85.4	Confident	94.1	Very high	184 Å²	184	55.3 Å²	55.3	85%	0.852	27%	0.274	S	S	*	.	S	Bend	trans	58.8	33.7	177	-49.5	-69.9	0	0	0	115.5
242	G	95.7	Very high	94.3	Very high	33 Å²	33	54.1 Å²	54.1	34%	0.34	27%	0.268	S	S	.	.			trans	-60.3	142.6	171.2	0	0	0	0	0	112.1	H240 N267 F268	H240-G242 VanDerWaalsContact C-N 3.31Å; H240-G242 PolarHBondContact O-N 2.79Å; G242-N267 WeakPolarHBondContact CA-O 3.15Å; G242-F268 VanDerWaalsContact CA-CE1 3.5Å
243	V	97.6	Very high	94.4	Very high	46 Å²	46	52.5 Å²	52.5	28%	0.279	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.5	175.6	-177.5	0	0	0	0	108.8	I245 V266 N267 L315	V243-I245 HydrophobicContact CG1-CD1 4.39Å; V243-I245 PolarHBondContact O-N 3.05Å; V243-V266 CarbonylContact O-C 3.59Å; V243-V266 WeakPolarHBondContact O-CA 3.29Å; V243-N267 PolarHBondContact N-O 3.22Å; V243-N267 PolarHBondContact O-N 2.9Å; V243-L315 HydrophobicContact CB-CD2 4.19Å; V243-L315 HydrophobicContact CG1-CD2 3.84Å
244	E	97.8	Very high	94.6	Very high	89 Å²	89	48 Å²	48	42%	0.416	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	117.7	173	-172.6	178.1	116.6	0	0	109.3	K247 V264	E244-K247 HydrophobicContact CG-CB 4.5Å; E244-K247 VanDerWaalsContact OE1-CB 3.24Å; E244-K247 WeakPolarHBondContact OE1-CB 3.29Å; E244-K247 WeakPolarHBondContact OE1-CD 3.49Å; E244-V264 HydrophobicContact CG-CG1 4.16Å
245	I	97.2	Very high	94.9	Very high	26 Å²	26	44 Å²	44	13%	0.133	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-37.9	-178.7	-60.7	-58.8	0	0	0	110.5	V243 A265 N267 L311 V312 L315	V243-I245 HydrophobicContact CG1-CD1 4.39Å; V243-I245 PolarHBondContact O-N 3.05Å; I245-A265 PolarHBondContact N-O 3Å; I245-N267 HydrophobicContact CD1-CB 3.68Å; I245-N267 HydrophobicContact CG1-CB 3.55Å; I245-L311 HydrophobicContact CG2-CB 3.47Å; I245-L311 VanDerWaalsContact CG2-CB 3.47Å; I245-L311 HydrophobicContact CG2-CD1 3.89Å; I245-L311 HydrophobicContact CG2-CG 4.34Å; I245-V312 HydrophobicContact CB-CG2 4.42Å; I245-V312 HydrophobicContact CD1-CG2 3.7Å; I245-V312 HydrophobicContact CG1-CG2 3.59Å; I245-V312 HydrophobicContact CG2-CG2 4.05Å; I245-L315 HydrophobicContact CD1-CD2 3.56Å
246	Y	98.1	Very high	95.2	Very high	64 Å²	64	44 Å²	44	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.5	-175.5	-178.6	-98.9	0	0	0	110.4	G248 Y249 T263 V264 A265 F308	Y246-G248 VanDerWaalsContact OH-C 3.24Å; Y246-G248 WeakPolarHBondContact OH-CA 3.48Å; Y246-Y249 PolarHBondContact OH-N 2.7Å; Y246-Y249 VanDerWaalsContact OH-N 3.13Å; Y246-Y249 PolarHBondContact OH-O 2.82Å; Y246-T263 HydrophobicContact CD1-CG2 3.89Å; Y246-T263 HydrophobicContact CE1-CG2 4.21Å; Y246-V264 CarbonylContact O-C 3.59Å; Y246-V264 WeakPolarHBondContact O-CA 3.5Å; Y246-A265 PolarHBondContact N-O 3.36Å; Y246-A265 PolarHBondContact O-N 2.86Å; Y246-F308 HydrophobicContact CD1-CD1 4.08Å; Y246-F308 AromaticContact CD1-CE1 3.29Å; Y246-F308 HydrophobicContact CD1-CE1 3.29Å; Y246-F308 AromaticContact CD1-CZ 3.64Å; Y246-F308 HydrophobicContact CD1-CZ 3.64Å; Y246-F308 HydrophobicContact CD2-CD1 4.49Å; Y246-F308 HydrophobicContact CD2-CE1 4.1Å; Y246-F308 AromaticContact CE1-CE1 3.79Å; Y246-F308 HydrophobicContact CE1-CE1 3.79Å; Y246-F308 HydrophobicContact CE1-CZ 4.01Å; Y246-F308 AromaticContact CG-CD1 3.86Å; Y246-F308 HydrophobicContact CG-CD1 3.86Å; Y246-F308 AromaticContact CG-CE1 3.47Å; Y246-F308 HydrophobicContact CG-CE1 3.47Å; Y246-F308 VanDerWaalsContact CG-CE1 3.47Å; Y246-F308 HydrophobicContact CG-CZ 4.27Å
247	K	97.8	Very high	95.5	Very high	89 Å²	89	41.1 Å²	41.1	39%	0.387	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	113.6	171.9	179.3	166.5	-174.4	175.2	0	109.1	F117 E244 T263 V264	F117-K247 HydrophobicContact CB-CG 4.15Å; F117-K247 HydrophobicContact CD1-CD 4.24Å; F117-K247 HydrophobicContact CD1-CG 3.95Å; F117-K247 HydrophobicContact CD2-CG 3.62Å; F117-K247 HydrophobicContact CE1-CD 4.32Å; F117-K247 HydrophobicContact CE1-CG 4.27Å; F117-K247 HydrophobicContact CE2-CG 3.95Å; F117-K247 HydrophobicContact CG-CD 4.4Å; F117-K247 HydrophobicContact CG-CG 3.62Å; F117-K247 HydrophobicContact CZ-CG 4.27Å; E244-K247 HydrophobicContact CG-CB 4.5Å; E244-K247 VanDerWaalsContact OE1-CB 3.24Å; E244-K247 WeakPolarHBondContact OE1-CB 3.29Å; E244-K247 WeakPolarHBondContact OE1-CD 3.49Å; K247-T263 WeakPolarHBondContact CA-O 3.4Å; K247-V264 HydrophobicContact CD-CG2 4.18Å; K247-V264 HydrophobicContact CG-CG2 4.1Å
248	G	97.6	Very high	95.9	Very high	1 Å²	1	37 Å²	37	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-167.5	-173.3	0	0	0	0	0	116.1	Y246 E262 T263	Y246-G248 VanDerWaalsContact OH-C 3.24Å; Y246-G248 WeakPolarHBondContact OH-CA 3.48Å; G248-E262 CarbonylContact O-C 3.57Å; G248-E262 WeakPolarHBondContact O-CA 3.41Å; G248-E262 WeakPolarHBondContact O-CB 3.22Å; G248-T263 PolarHBondContact N-O 3.11Å; G248-T263 PolarHBondContact O-N 3.18Å
249	Y	97.9	Very high	96.3	Very high	14 Å²	14	36.3 Å²	36.3	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.3	176.4	179.3	-81.3	0	0	0	113.5	H42 N131 P132 R133 Y246 D251 N255 W260	H42-Y249 HydrophobicContact CB-CE1 4.26Å; H42-Y249 AromaticContact ND1-CZ 3.97Å; H42-Y249 PolarHBondContact ND1-OH 3.17Å; N131-Y249 PolarHBondContact ND2-OH 3.5Å; N131-Y249 WeakPolarHBondContact OD1-CE2 3.44Å; P132-Y249 HydrophobicContact CG-CD2 4.13Å; R133-Y249 HydrophobicContact CB-CD1 4.47Å; R133-Y249 HydrophobicContact CB-CE1 4.06Å; R133-Y249 HydrophobicContact CB-CE2 4.1Å; R133-Y249 HydrophobicContact CG-CD1 3.49Å; R133-Y249 VanDerWaalsContact CG-CD1 3.49Å; R133-Y249 HydrophobicContact CG-CD2 3.71Å; R133-Y249 HydrophobicContact CG-CE1 3.57Å; R133-Y249 HydrophobicContact CG-CE2 3.77Å; R133-Y249 HydrophobicContact CG-CG 3.56Å; Y246-Y249 PolarHBondContact OH-N 2.7Å; Y246-Y249 VanDerWaalsContact OH-N 3.13Å; Y246-Y249 PolarHBondContact OH-O 2.82Å; Y249-D251 HydrophobicContact CE1-CB 4.44Å; Y249-N255 PolarHBondContact OH-ND2 2.76Å; Y249-W260 HydrophobicContact CD2-CB 4.22Å; Y249-W260 AromaticContact CD2-CD1 3.55Å; Y249-W260 AromaticContact CD2-CG 3.98Å; Y249-W260 HydrophobicContact CD2-CG 3.98Å; Y249-W260 HydrophobicContact CE2-CB 3.64Å; Y249-W260 AromaticContact CE2-CD1 3.87Å; Y249-W260 AromaticContact CE2-CG 3.81Å; Y249-W260 HydrophobicContact CE2-CG 3.81Å
250	V	97.8	Very high	96.6	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.03	18%	0.178	C	C	.	.			trans	-105.6	128.3	175.1	-175.3	0	0	0	0	109.9	D252 N255 M261 T263 A303 F308	V250-D252 VanDerWaalsContact C-N 3.31Å; V250-D252 HydrophobicContact CG1-CB 4.28Å; V250-D252 PolarHBondContact O-N 3.33Å; V250-N255 PolarHBondContact O-ND2 2.94Å; V250-M261 HydrophobicContact CB-CB 4.09Å; V250-M261 PolarHBondContact N-O 2.75Å; V250-T263 HydrophobicContact CG2-CG2 3.46Å; V250-T263 VanDerWaalsContact CG2-CG2 3.46Å; V250-A303 HydrophobicContact CG1-CB 3.89Å; V250-F308 HydrophobicContact CG2-CZ 4.17Å
251	D	97.2	Very high	97.2	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.123	16%	0.156	C	C	.	.			trans	-72.2	90	167.8	-176.9	26.5	0	0	0	109.7	H42 V43 K44 C45 Y249 S304	H42-D251 HydrophobicContact CB-CB 4.2Å; H42-D251 WeakPolarHBondContact CB-OD1 3.32Å; V43-D251 PolarHBondContact N-OD1 3.47Å; V43-D251 PolarHBondContact N-OD2 2.81Å; K44-D251 WeakPolarHBondContact CB-OD2 3.27Å; K44-D251 PolarHBondContact N-OD1 2.92Å; K44-D251 PolarHBondContact N-OD2 2.87Å; C45-D251 PolarHBondContact N-OD1 3.28Å; C45-D251 PolarHBondContact SG-OD1 2.99Å; Y249-D251 HydrophobicContact CE1-CB 4.44Å; D251-S304 PolarHBondContact N-OG 3.18Å; D251-S304 VanDerWaalsContact N-OG 3.09Å
252	D	96.7	Very high	97.8	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.116	C	C	.	.			trans	-114.2	133.9	-174	-170.9	-66.4	0	0	0	110.5	C45 V250 R254 N255 M261 Y302 A303	C45-D252 WeakPolarHBondContact CB-O 3.32Å; V250-D252 VanDerWaalsContact C-N 3.31Å; V250-D252 HydrophobicContact CG1-CB 4.28Å; V250-D252 PolarHBondContact O-N 3.33Å; D252-R254 PolarHBondContact O-N 3.49Å; D252-R254 WeakPolarHBondContact OD1-CB 3.36Å; D252-R254 VanDerWaalsContact OD1-CG 3.28Å; D252-R254 WeakPolarHBondContact OD1-CG 3.18Å; D252-R254 IonicContact OD1-CZ 3.65Å; D252-R254 PolarHBondContact OD1-N 3.2Å; D252-R254 IonicContact OD1-NE 3.07Å; D252-R254 PolarHBondContact OD1-NE 3.42Å; D252-R254 IonicContact OD1-NH2 3.48Å; D252-R254 IonicContact OD2-CZ 3.5Å; D252-R254 IonicContact OD2-NE 2.89Å; D252-R254 PolarHBondContact OD2-NE 2.91Å; D252-R254 IonicContact OD2-NH2 3.62Å; D252-R254 PolarHBondContact OD2-NH2 3.13Å; D252-N255 WeakPolarHBondContact O-CB 3.45Å; D252-N255 PolarHBondContact O-N 2.94Å; D252-M261 HydrophobicContact CB-CB 3.91Å; D252-M261 HydrophobicContact CB-CG 3.72Å; D252-Y302 PolarHBondContact OD1-OH 2.82Å; D252-Y302 WeakPolarHBondContact OD2-CE1 3.49Å; D252-Y302 PolarHBondContact OD2-OH 2.95Å; D252-A303 HydrophobicContact CB-CB 4.36Å
253	P	95.9	Very high	97.9	Very high	31 Å²	31	20.8 Å²	20.8	20%	0.201	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-22	177.9	-28.1	35.8	0	0	0	115.3	K44 P51 R58	K44-P253 HydrophobicContact CB-CG 4.31Å; P51-P253 VanDerWaalsContact CD-O 3.22Å; P51-P253 WeakPolarHBondContact CD-O 3.41Å; P51-P253 HydrophobicContact CG-CB 3.56Å; P51-P253 WeakPolarHBondContact CG-O 3.29Å; R58-P253 PolarHBondContact NH2-O 3.39Å
254	R	97	Very high	98	Very high	33 Å²	33	18.7 Å²	18.7	13%	0.125	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.4	179.1	-61.4	170.8	-74	177.3	-3.9	113.3	Y50 P51 V143 L144 D252 Y302	Y50-R254 WeakPolarHBondContact CE2-O 3.49Å; Y50-R254 PolarHBondContact OH-O 2.97Å; P51-R254 HydrophobicContact CB-CG 4.34Å; P51-R254 HydrophobicContact CG-CG 4.16Å; V143-R254 HydrophobicContact CG2-CB 4.05Å; V143-R254 HydrophobicContact CG2-CG 3.69Å; L144-R254 HydrophobicContact CD2-CB 4Å; L144-R254 HydrophobicContact CG-CB 4.2Å; D252-R254 PolarHBondContact O-N 3.49Å; D252-R254 WeakPolarHBondContact OD1-CB 3.36Å; D252-R254 VanDerWaalsContact OD1-CG 3.28Å; D252-R254 WeakPolarHBondContact OD1-CG 3.18Å; D252-R254 IonicContact OD1-CZ 3.65Å; D252-R254 PolarHBondContact OD1-N 3.2Å; D252-R254 IonicContact OD1-NE 3.07Å; D252-R254 PolarHBondContact OD1-NE 3.42Å; D252-R254 IonicContact OD1-NH2 3.48Å; D252-R254 IonicContact OD2-CZ 3.5Å; D252-R254 IonicContact OD2-NE 2.89Å; D252-R254 PolarHBondContact OD2-NE 2.91Å; D252-R254 IonicContact OD2-NH2 3.62Å; D252-R254 PolarHBondContact OD2-NH2 3.13Å; R254-Y302 PolarHBondContact NE-OH 2.83Å; R254-Y302 VanDerWaalsContact NE-OH 3.11Å; R254-Y302 PolarHBondContact NH2-OH 2.93Å
255	N	98.7	Very high	98	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.			trans	-64.3	143.1	-175.6	-61.2	-10.6	0	0	0	111.5	C45 R58 Y249 V250 D252 A259 W260 M261	C45-N255 HydrophobicContact CB-CB 3.71Å; R58-N255 PolarHBondContact NH1-O 3.29Å; R58-N255 PolarHBondContact NH2-O 2.76Å; Y249-N255 PolarHBondContact OH-ND2 2.76Å; V250-N255 PolarHBondContact O-ND2 2.94Å; D252-N255 WeakPolarHBondContact O-CB 3.45Å; D252-N255 PolarHBondContact O-N 2.94Å; N255-A259 CarbonylContact C-O 3.57Å; N255-A259 WeakPolarHBondContact CA-O 3.44Å; N255-W260 HydrophobicContact CB-CB 4.1Å; N255-W260 WeakPolarHBondContact OD1-CA 3.41Å; N255-M261 PolarHBondContact OD1-N 2.82Å
256	T	98.9	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.			trans	-119.6	-176.7	173.8	72.2	0	0	0	0	109.4	Y50 N131 T136 I138 G140 N258 A259	Y50-T256 HydrophobicContact CE2-CG2 3.97Å; N131-T256 WeakPolarHBondContact CB-O 3.25Å; N131-T256 PolarHBondContact ND2-O 3.47Å; T136-T256 WeakPolarHBondContact CG2-O 3.24Å; T136-T256 VanDerWaalsContact OG1-CA 3.31Å; T136-T256 WeakPolarHBondContact OG1-CA 3.39Å; I138-T256 HydrophobicContact CG2-CG2 3.55Å; G140-T256 VanDerWaalsContact O-CB 3.3Å; G140-T256 WeakPolarHBondContact O-CB 3.47Å; G140-T256 PolarHBondContact O-OG1 3.05Å; T256-N258 PolarHBondContact O-N 3.14Å; T256-N258 PolarHBondContact OG1-N 2.94Å; T256-A259 PolarHBondContact N-O 3.35Å; T256-A259 PolarHBondContact OG1-N 2.82Å; T256-A259 PolarHBondContact OG1-O 2.74Å
257	D	98.8	Very high	98.1	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.011	5%	0.051	C	C	.	.	S	Bend	trans	-65.7	-20.8	170	-69.1	3.7	0	0	0	111.8	W68 Y75 P129 L130 N131 T136 I138 I139	W68-D257 HydrophobicContact CH2-CB 4.02Å; W68-D257 WeakPolarHBondContact CH2-OD2 3.4Å; W68-D257 HydrophobicContact CZ2-CB 4.1Å; Y75-D257 VanDerWaalsContact CE1-OD2 3.3Å; Y75-D257 WeakPolarHBondContact CE1-OD2 3.44Å; Y75-D257 VanDerWaalsContact OH-CG 3.26Å; Y75-D257 PolarHBondContact OH-OD1 3.25Å; Y75-D257 PolarHBondContact OH-OD2 2.67Å; P129-D257 VanDerWaalsContact O-O 3.13Å; L130-D257 CarbonylContact C-O 3.5Å; L130-D257 WeakPolarHBondContact CA-O 3.4Å; N131-D257 PolarHBondContact N-O 2.94Å; T136-D257 WeakPolarHBondContact CA-OD1 3.46Å; T136-D257 WeakPolarHBondContact CB-OD1 3.3Å; T136-D257 PolarHBondContact N-OD1 3.16Å; T136-D257 PolarHBondContact OG1-N 3.23Å; T136-D257 PolarHBondContact OG1-OD1 2.76Å; I138-D257 VanDerWaalsContact O-CB 3.26Å; I138-D257 WeakPolarHBondContact O-CB 3.47Å; I138-D257 PolarHBondContact O-N 3.03Å; I139-D257 HydrophobicContact CG2-CB 3.98Å
258	N	98.9	Very high	98.1	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.016	4%	0.035	C	C	.	.	S	Bend	trans	-124.7	-5	-170.2	-43.8	113.6	0	0	0	115.3	L128 P129 I139 G140 W147 G148 T256	L128-N258 HydrophobicContact CB-CB 4.44Å; L128-N258 WeakPolarHBondContact CB-ND2 3.26Å; P129-N258 VanDerWaalsContact O-CA 3.24Å; P129-N258 WeakPolarHBondContact O-CA 3.31Å; P129-N258 PolarHBondContact O-ND2 3.49Å; I139-N258 VanDerWaalsContact CA-OD1 3.26Å; I139-N258 WeakPolarHBondContact CA-OD1 3.47Å; I139-N258 VanDerWaalsContact CB-OD1 3.31Å; I139-N258 WeakPolarHBondContact CB-OD1 3.31Å; G140-N258 PolarHBondContact N-OD1 3.18Å; W147-N258 HydrophobicContact CE3-CB 3.74Å; W147-N258 HydrophobicContact CZ3-CB 3.65Å; G148-N258 PolarHBondContact N-O 2.82Å; T256-N258 PolarHBondContact O-N 3.14Å; T256-N258 PolarHBondContact OG1-N 2.94Å
259	A	98.8	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	135.3	175.2	0	0	0	0	0	110.1	R141 L144 R146 G148 N255 T256	R141-A259 HydrophobicContact CB-CB 4.23Å; R141-A259 HydrophobicContact CG-CB 4.12Å; L144-A259 HydrophobicContact CB-CB 4.02Å; L144-A259 HydrophobicContact CD1-CB 3.88Å; R146-A259 VanDerWaalsContact O-CB 3.29Å; R146-A259 WeakPolarHBondContact O-CB 3.3Å; G148-A259 CarbonylContact O-C 3.12Å; G148-A259 VanDerWaalsContact O-CA 3.26Å; G148-A259 WeakPolarHBondContact O-CA 3.5Å; N255-A259 CarbonylContact C-O 3.57Å; N255-A259 WeakPolarHBondContact CA-O 3.44Å; T256-A259 PolarHBondContact N-O 3.35Å; T256-A259 PolarHBondContact OG1-N 2.82Å; T256-A259 PolarHBondContact OG1-O 2.74Å
260	W	98.8	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157	-178.6	59.2	89.9	0	0	0	112.4	Y121 P129 N131 P132 G148 P149 N150 Y249 N255 E262	Y121-W260 AromaticContact CD1-CH2 3.97Å; Y121-W260 HydrophobicContact CD1-CH2 3.97Å; Y121-W260 AromaticContact CD1-CZ2 3.71Å; Y121-W260 HydrophobicContact CD1-CZ2 3.71Å; Y121-W260 AromaticContact CD2-CH2 3.97Å; Y121-W260 HydrophobicContact CD2-CH2 3.97Å; Y121-W260 HydrophobicContact CE1-CZ2 4.31Å; Y121-W260 AromaticContact CG-CH2 3.65Å; Y121-W260 HydrophobicContact CG-CH2 3.65Å; Y121-W260 AromaticContact CG-CZ2 3.84Å; Y121-W260 HydrophobicContact CG-CZ2 3.84Å; P129-W260 HydrophobicContact CB-CH2 4.07Å; P129-W260 HydrophobicContact CB-CZ3 4.01Å; N131-W260 HydrophobicContact CB-CE3 3.93Å; N131-W260 HydrophobicContact CB-CZ3 4.35Å; P132-W260 VanDerWaalsContact CD-CZ2 3.42Å; P132-W260 HydrophobicContact CG-CD2 4.49Å; P132-W260 HydrophobicContact CG-CZ2 4.07Å; G148-W260 PolarHBondContact O-N 3.48Å; P149-W260 CarbonylContact C-O 3.58Å; P149-W260 WeakPolarHBondContact CA-O 3.16Å; P149-W260 HydrophobicContact CB-CZ2 4.42Å; N150-W260 PolarHBondContact N-O 3.21Å; Y249-W260 HydrophobicContact CD2-CB 4.22Å; Y249-W260 AromaticContact CD2-CD1 3.55Å; Y249-W260 AromaticContact CD2-CG 3.98Å; Y249-W260 HydrophobicContact CD2-CG 3.98Å; Y249-W260 HydrophobicContact CE2-CB 3.64Å; Y249-W260 AromaticContact CE2-CD1 3.87Å; Y249-W260 AromaticContact CE2-CG 3.81Å; Y249-W260 HydrophobicContact CE2-CG 3.81Å; N255-W260 HydrophobicContact CB-CB 4.1Å; N255-W260 WeakPolarHBondContact OD1-CA 3.41Å; W260-E262 PolarHBondContact NE1-OE1 2.96Å
261	M	98.5	Very high	97.6	Very high	7 Å²	7	11.7 Å²	11.7	3%	0.034	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.8	174.9	-66.8	-60.3	-55.9	0	0	111.1	L144 N150 A152 M198 V250 D252 N255	L144-M261 HydrophobicContact CD1-SD 4.47Å; L144-M261 HydrophobicContact CD2-CG 4.32Å; L144-M261 HydrophobicContact CD2-SD 3.55Å; L144-M261 VanDerWaalsContact CD2-SD 3.55Å; N150-M261 HydrophobicContact CB-SD 4.07Å; A152-M261 HydrophobicContact CB-CE 3.78Å; M198-M261 HydrophobicContact CE-CE 3.98Å; M198-M261 HydrophobicContact CE-SD 4.2Å; M198-M261 HydrophobicContact SD-CE 3.68Å; M198-M261 HydrophobicContact SD-SD 4.22Å; V250-M261 HydrophobicContact CB-CB 4.09Å; V250-M261 PolarHBondContact N-O 2.75Å; D252-M261 HydrophobicContact CB-CB 3.91Å; D252-M261 HydrophobicContact CB-CG 3.72Å; N255-M261 PolarHBondContact OD1-N 2.82Å
262	E	98.5	Very high	97.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149	163.7	-59.7	-165.4	178.4	0	0	108.9	S116 F117 P149 N150 H151 A152 G248 W260	S116-E262 WeakPolarHBondContact CA-OE2 3.17Å; S116-E262 VanDerWaalsContact CB-OE1 3.28Å; S116-E262 WeakPolarHBondContact CB-OE1 3.43Å; S116-E262 PolarHBondContact OG-OE1 2.82Å; F117-E262 WeakPolarHBondContact CB-OE2 3.37Å; F117-E262 HydrophobicContact CD2-CB 3.99Å; F117-E262 WeakPolarHBondContact CD2-OE2 3.2Å; F117-E262 HydrophobicContact CE2-CB 4.3Å; F117-E262 WeakPolarHBondContact CG-OE2 3.48Å; F117-E262 PolarHBondContact N-OE2 3Å; P149-E262 HydrophobicContact CB-CG 4.06Å; N150-E262 PolarHBondContact O-N 2.99Å; N150-E262 VanDerWaalsContact O-N 3.07Å; H151-E262 CarbonylContact C-O 3.59Å; H151-E262 WeakPolarHBondContact CA-O 3.4Å; H151-E262 IonicContact CE1-OE2 2.67Å; H151-E262 IonicContact ND1-OE2 3.14Å; A152-E262 PolarHBondContact N-O 3.25Å; G248-E262 CarbonylContact O-C 3.57Å; G248-E262 WeakPolarHBondContact O-CA 3.41Å; G248-E262 WeakPolarHBondContact O-CB 3.22Å; W260-E262 PolarHBondContact NE1-OE1 2.96Å
263	T	98.4	Very high	97	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.1	-179.7	-164	0	0	0	0	112	A152 D154 Y246 K247 G248 V250 F308	A152-T263 WeakPolarHBondContact O-CA 3.24Å; A152-T263 PolarHBondContact O-OG1 3.22Å; D154-T263 WeakPolarHBondContact OD2-CB 3.33Å; D154-T263 WeakPolarHBondContact OD2-CG2 3.31Å; D154-T263 PolarHBondContact OD2-OG1 2.89Å; Y246-T263 HydrophobicContact CD1-CG2 3.89Å; Y246-T263 HydrophobicContact CE1-CG2 4.21Å; K247-T263 WeakPolarHBondContact CA-O 3.4Å; G248-T263 PolarHBondContact N-O 3.11Å; G248-T263 PolarHBondContact O-N 3.18Å; V250-T263 HydrophobicContact CG2-CG2 3.46Å; V250-T263 VanDerWaalsContact CG2-CG2 3.46Å; T263-F308 HydrophobicContact CG2-CE2 3.76Å; T263-F308 HydrophobicContact CG2-CZ 3.69Å
264	V	98.3	Very high	96.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113	157.5	-173	0	0	0	0	107.3	F117 A152 A153 D154 Y205 E244 Y246 K247 V266	F117-V264 HydrophobicContact CE2-CG2 3.69Å; F117-V264 HydrophobicContact CZ-CG2 3.7Å; A152-V264 PolarHBondContact O-N 3.13Å; A153-V264 WeakPolarHBondContact CA-O 3.45Å; D154-V264 PolarHBondContact N-O 3.33Å; Y205-V264 HydrophobicContact CD1-CG2 4.47Å; Y205-V264 HydrophobicContact CD2-CB 4.11Å; Y205-V264 HydrophobicContact CD2-CG1 3.87Å; Y205-V264 HydrophobicContact CD2-CG2 4.43Å; Y205-V264 HydrophobicContact CE2-CG1 3.95Å; Y205-V264 HydrophobicContact CG-CB 4.3Å; Y205-V264 HydrophobicContact CG-CG1 4.41Å; Y205-V264 HydrophobicContact CG-CG2 4.16Å; E244-V264 HydrophobicContact CG-CG1 4.16Å; Y246-V264 CarbonylContact O-C 3.59Å; Y246-V264 WeakPolarHBondContact O-CA 3.5Å; K247-V264 HydrophobicContact CD-CG2 4.18Å; K247-V264 HydrophobicContact CG-CG2 4.1Å; V264-V266 HydrophobicContact CG1-CG2 3.88Å
265	A	98.4	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.7	175.6	0	0	0	0	0	109.9	D154 I156 I245 Y246 F308	D154-A265 HydrophobicContact CB-CB 4.02Å; D154-A265 WeakPolarHBondContact O-CA 3.17Å; I156-A265 HydrophobicContact CD1-CB 4.13Å; I245-A265 PolarHBondContact N-O 3Å; Y246-A265 PolarHBondContact N-O 3.36Å; Y246-A265 PolarHBondContact O-N 2.86Å; A265-F308 HydrophobicContact CB-CB 4.49Å; A265-F308 HydrophobicContact CB-CD2 4.06Å; A265-F308 HydrophobicContact CB-CG 4.2Å
266	V	98.6	Very high	95.3	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.048	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.7	-176.2	-176.2	0	0	0	0	109.7	D154 I156 Y205 L209 V243 V264 F268	D154-V266 PolarHBondContact O-N 3.04Å; I156-V266 PolarHBondContact N-O 3.03Å; Y205-V266 HydrophobicContact CE2-CG2 4.45Å; L209-V266 HydrophobicContact CD1-CB 3.79Å; L209-V266 HydrophobicContact CD1-CG1 4.42Å; L209-V266 HydrophobicContact CD1-CG2 3.55Å; L209-V266 HydrophobicContact CD2-CB 4.33Å; L209-V266 HydrophobicContact CD2-CG2 4.41Å; V243-V266 CarbonylContact O-C 3.59Å; V243-V266 WeakPolarHBondContact O-CA 3.29Å; V264-V266 HydrophobicContact CG1-CG2 3.88Å; V266-F268 HydrophobicContact CB-CE2 3.94Å; V266-F268 HydrophobicContact CB-CZ 4.25Å; V266-F268 HydrophobicContact CG1-CD2 4.34Å; V266-F268 HydrophobicContact CG1-CE1 4.2Å; V266-F268 HydrophobicContact CG1-CE2 3.7Å; V266-F268 HydrophobicContact CG1-CZ 3.63Å
267	N	98.3	Very high	94.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.7	176.2	177.1	-125.9	0	0	0	111.5	I156 T158 G242 V243 I245 V312 R316	I156-N267 HydrophobicContact CB-CB 4.47Å; I156-N267 WeakPolarHBondContact O-CA 3.36Å; I156-N267 PolarHBondContact O-ND2 3.26Å; T158-N267 WeakPolarHBondContact CG2-ND2 3.26Å; T158-N267 PolarHBondContact OG1-ND2 3.16Å; G242-N267 WeakPolarHBondContact CA-O 3.15Å; V243-N267 PolarHBondContact N-O 3.22Å; V243-N267 PolarHBondContact O-N 2.9Å; I245-N267 HydrophobicContact CD1-CB 3.68Å; I245-N267 HydrophobicContact CG1-CB 3.55Å; N267-V312 HydrophobicContact CB-CG2 3.92Å; N267-R316 PolarHBondContact OD1-NE 3.05Å; N267-R316 PolarHBondContact OD1-NH2 2.84Å
268	F	97.3	Very high	93.8	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.048	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.7	167.9	-58	-85	0	0	0	107.8	P155 I156 V157 T158 L209 F239 G242 V266 L276	P155-F268 HydrophobicContact CB-CE2 4.47Å; I156-F268 PolarHBondContact O-N 2.8Å; V157-F268 CarbonylContact C-O 3.59Å; V157-F268 WeakPolarHBondContact CA-O 3.23Å; V157-F268 HydrophobicContact CG2-CB 4.43Å; T158-F268 PolarHBondContact N-O 2.96Å; T158-F268 PolarHBondContact OG1-O 2.96Å; L209-F268 HydrophobicContact CD1-CE2 4.17Å; L209-F268 HydrophobicContact CD1-CZ 4.13Å; F239-F268 HydrophobicContact CB-CD1 3.99Å; F239-F268 HydrophobicContact CB-CE1 3.68Å; F239-F268 HydrophobicContact CB-CZ 4.04Å; F239-F268 HydrophobicContact CD1-CD2 4.09Å; F239-F268 HydrophobicContact CD1-CE1 4.29Å; F239-F268 AromaticContact CD1-CE2 3.76Å; F239-F268 HydrophobicContact CD1-CE2 3.76Å; F239-F268 AromaticContact CD1-CZ 3.86Å; F239-F268 HydrophobicContact CD1-CZ 3.86Å; F239-F268 HydrophobicContact CD2-CB 4.43Å; F239-F268 HydrophobicContact CD2-CD1 4.28Å; F239-F268 HydrophobicContact CD2-CD2 4.34Å; F239-F268 HydrophobicContact CD2-CG 4.1Å; F239-F268 HydrophobicContact CE1-CD2 4.12Å; F239-F268 AromaticContact CE1-CE2 3.99Å; F239-F268 HydrophobicContact CE1-CE2 3.99Å; F239-F268 HydrophobicContact CE2-CD2 4.37Å; F239-F268 HydrophobicContact CE2-CG 4.4Å; F239-F268 HydrophobicContact CG-CD1 4.06Å; F239-F268 HydrophobicContact CG-CD2 4.21Å; F239-F268 AromaticContact CG-CE1 3.99Å; F239-F268 HydrophobicContact CG-CE1 3.99Å; F239-F268 HydrophobicContact CG-CE2 4.16Å; F239-F268 HydrophobicContact CG-CG 4.15Å; F239-F268 HydrophobicContact CG-CZ 4.04Å; F239-F268 HydrophobicContact CZ-CD2 4.25Å; G242-F268 VanDerWaalsContact CA-CE1 3.5Å; V266-F268 HydrophobicContact CB-CE2 3.94Å; V266-F268 HydrophobicContact CB-CZ 4.25Å; V266-F268 HydrophobicContact CG1-CD2 4.34Å; V266-F268 HydrophobicContact CG1-CE1 4.2Å; V266-F268 HydrophobicContact CG1-CE2 3.7Å; V266-F268 HydrophobicContact CG1-CZ 3.63Å; F268-L276 HydrophobicContact CB-CD1 3.93Å
269	H	96.6	Very high	93.2	Very high	37 Å²	37	27.7 Å²	27.7	17%	0.171	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.9	-169.8	-177.2	62.2	0	0	0	111.8	T158 W160 L179 D271 R316	T158-H269 WeakPolarHBondContact OG1-CA 3.41Å; T158-H269 WeakPolarHBondContact OG1-CB 3.22Å; T158-H269 PolarHBondContact OG1-ND1 2.92Å; W160-H269 AromaticContact CD1-NE2 3.94Å; W160-H269 AromaticContact CE2-CE1 3.92Å; W160-H269 AromaticContact CE2-NE2 3.83Å; W160-H269 AromaticContact NE1-CE1 3.61Å; W160-H269 AromaticContact NE1-NE2 3.26Å; W160-H269 PolarHBondContact NE1-NE2 3.36Å; L179-H269 VanDerWaalsContact CD1-CE1 3.49Å; L179-H269 WeakPolarHBondContact CD1-CE1 3.41Å; H269-D271 WeakPolarHBondContact NE2-CA 3.43Å; H269-D271 IonicContact NE2-OD1 2.94Å; H269-D271 PolarHBondContact NE2-OD1 3.02Å; H269-R316 VanDerWaalsContact CB-CZ 3.48Å
270	D	94.8	Very high	92.7	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	95.8	171.5	-177.1	3.9	0	0	0	109.5	T158 I272 G273 N274 C275 L276 A277	T158-D270 PolarHBondContact O-N 2.72Å; D270-I272 PolarHBondContact OD1-N 3.18Å; D270-G273 VanDerWaalsContact CG-CA 3.48Å; D270-G273 VanDerWaalsContact OD1-CA 3.29Å; D270-G273 WeakPolarHBondContact OD1-CA 3.44Å; D270-G273 PolarHBondContact OD1-N 2.56Å; D270-G273 VanDerWaalsContact OD2-C 3.3Å; D270-G273 WeakPolarHBondContact OD2-CA 3.2Å; D270-N274 PolarHBondContact OD1-N 2.8Å; D270-N274 PolarHBondContact OD2-N 2.85Å; D270-C275 PolarHBondContact OD2-N 3.19Å; D270-C275 PolarHBondContact OD2-SG 2.84Å; D270-L276 HydrophobicContact CB-CB 3.78Å; D270-L276 HydrophobicContact CB-CD1 4.09Å; D270-L276 HydrophobicContact CB-CG 4.26Å; D270-L276 PolarHBondContact OD2-N 3.05Å; D270-A277 VanDerWaalsContact OD2-CB 3.26Å; D270-A277 WeakPolarHBondContact OD2-CB 3.45Å; D270-A277 PolarHBondContact OD2-N 2.78Å
271	D	93	Very high	92.4	Very high	82 Å²	82	33.7 Å²	33.7	44%	0.439	19%	0.192	S	C	.	.	S	Bend	trans	-74.5	-31.2	-176.4	-170.4	70.1	0	0	0	112.6	W160 R168 H269	W160-D271 PolarHBondContact NE1-OD1 2.88Å; R168-D271 IonicContact CZ-OD1 3.06Å; R168-D271 IonicContact NH1-OD1 2.78Å; R168-D271 IonicContact NH2-OD1 3.66Å; R168-D271 PolarHBondContact NH2-OD1 3.43Å; R168-D271 IonicContact NH2-OD2 3.71Å; R168-D271 PolarHBondContact NH2-OD2 3.34Å; H269-D271 WeakPolarHBondContact NE2-CA 3.43Å; H269-D271 IonicContact NE2-OD1 2.94Å; H269-D271 PolarHBondContact NE2-OD1 3.02Å
272	I	90.9	Very high	91.9	Very high	127 Å²	127	36.7 Å²	36.7	65%	0.651	21%	0.21	S	C	*	.	S	Bend	trans	-90.1	-29.5	-177.6	-58.7	177.7	0	0	0	111.1	D270 N274	D270-I272 PolarHBondContact OD1-N 3.18Å; I272-N274 HydrophobicContact CG2-CB 4.31Å
273	G	89.3	Confident	91.1	Very high	24 Å²	24	38 Å²	38	25%	0.247	22%	0.221	C	C	.	.	S	Bend	trans	86.4	24	-177	0	0	0	0	0	113.9	D270	D270-G273 VanDerWaalsContact CG-CA 3.48Å; D270-G273 VanDerWaalsContact OD1-CA 3.29Å; D270-G273 WeakPolarHBondContact OD1-CA 3.44Å; D270-G273 PolarHBondContact OD1-N 2.56Å; D270-G273 VanDerWaalsContact OD2-C 3.3Å; D270-G273 WeakPolarHBondContact OD2-CA 3.2Å
274	N	86.3	Confident	90.4	Very high	103 Å²	103	38.1 Å²	38.1	55%	0.551	22%	0.223	S	C	*	.	S	Bend	trans	-113.7	5.3	-174.9	70	-1.9	0	0	0	114.3	D270 I272 L278	D270-N274 PolarHBondContact OD1-N 2.8Å; D270-N274 PolarHBondContact OD2-N 2.85Å; I272-N274 HydrophobicContact CG2-CB 4.31Å; N274-L278 WeakPolarHBondContact O-CD1 3.44Å
275	C	86.6	Confident	89.4	Confident	47 Å²	47	42.3 Å²	42.3	32%	0.318	25%	0.245	S	C	.	.	S	Bend	trans	-128.1	-85.8	178.9	64.9	0	0	0	0	112.7	R234 D270 A277 L278 F279	R234-C275 PolarHBondContact NH2-O 2.67Å; D270-C275 PolarHBondContact OD2-N 3.19Å; D270-C275 PolarHBondContact OD2-SG 2.84Å; C275-A277 VanDerWaalsContact C-N 3.28Å; C275-A277 PolarHBondContact O-N 2.75Å; C275-L278 PolarHBondContact O-N 2.7Å; C275-F279 WeakPolarHBondContact O-CD1 3.43Å
276	L	84.1	Confident	88	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-63.5	-35.8	-179.4	-63.6	162.3	0	0	0	110.9	V157 A238 F239 F268 D270 L278 F279	V157-L276 HydrophobicContact CG1-CB 3.8Å; V157-L276 HydrophobicContact CG1-CD1 4.1Å; V157-L276 HydrophobicContact CG1-CD2 3.9Å; V157-L276 HydrophobicContact CG1-CG 4.15Å; V157-L276 HydrophobicContact CG2-CD2 4.35Å; A238-L276 HydrophobicContact CB-CD2 3.42Å; A238-L276 VanDerWaalsContact CB-CD2 3.42Å; A238-L276 HydrophobicContact CB-CG 3.96Å; F239-L276 HydrophobicContact CD2-CD2 4.04Å; F239-L276 HydrophobicContact CE2-CD2 3.73Å; F268-L276 HydrophobicContact CB-CD1 3.93Å; D270-L276 HydrophobicContact CB-CB 3.78Å; D270-L276 HydrophobicContact CB-CD1 4.09Å; D270-L276 HydrophobicContact CB-CG 4.26Å; D270-L276 PolarHBondContact OD2-N 3.05Å; L276-L278 PolarHBondContact O-N 3.36Å; L276-L278 VanDerWaalsContact O-N 3.11Å; L276-F279 HydrophobicContact CD2-CE1 4.28Å; L276-F279 HydrophobicContact CD2-CE2 3.79Å; L276-F279 HydrophobicContact CD2-CZ 3.69Å; L276-F279 WeakPolarHBondContact O-CB 3.41Å; L276-F279 WeakPolarHBondContact O-CD1 3.02Å; L276-F279 WeakPolarHBondContact O-CG 3.49Å; L276-F279 PolarHBondContact O-N 3.34Å; L276-F279 VanDerWaalsContact O-N 3.15Å
277	A	80.9	Confident	87	Confident	12 Å²	12	47.7 Å²	47.7	10%	0.099	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.6	-22.3	-179.6	0	0	0	0	0	113.7	R159 D270 C275	R159-A277 HydrophobicContact CB-CB 4.09Å; R159-A277 VanDerWaalsContact CD-CB 3.45Å; R159-A277 HydrophobicContact CG-CB 4.41Å; R159-A277 PolarHBondContact NH1-O 2.91Å; D270-A277 VanDerWaalsContact OD2-CB 3.26Å; D270-A277 WeakPolarHBondContact OD2-CB 3.45Å; D270-A277 PolarHBondContact OD2-N 2.78Å; C275-A277 VanDerWaalsContact C-N 3.28Å; C275-A277 PolarHBondContact O-N 2.75Å
278	L	85.6	Confident	86.3	Confident	106 Å²	106	52.8 Å²	52.8	56%	0.555	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-94	7.7	-177.1	-62.6	179.8	0	0	0	112.8	R234 N274 C275 L276	R234-L278 PolarHBondContact NH1-O 3.07Å; R234-L278 VanDerWaalsContact NH1-O 3.15Å; R234-L278 PolarHBondContact NH2-O 3.01Å; N274-L278 WeakPolarHBondContact O-CD1 3.44Å; C275-L278 PolarHBondContact O-N 2.7Å; L276-L278 PolarHBondContact O-N 3.36Å; L276-L278 VanDerWaalsContact O-N 3.11Å
279	F	86.3	Confident	86.1	Confident	10 Å²	10	53.5 Å²	53.5	4%	0.044	31%	0.306	C	S	.	.			trans	-67.9	129.5	-178.9	-81.3	19.5	0	0	0	110.9	F213 L218 R234 V235 A238 C275 L276 L281	F213-F279 HydrophobicContact CD1-CE2 4.25Å; F213-F279 AromaticContact CE1-CD2 3.42Å; F213-F279 HydrophobicContact CE1-CD2 3.42Å; F213-F279 VanDerWaalsContact CE1-CD2 3.42Å; F213-F279 AromaticContact CE1-CE2 3.48Å; F213-F279 HydrophobicContact CE1-CE2 3.48Å; F213-F279 VanDerWaalsContact CE1-CE2 3.48Å; F213-F279 AromaticContact CZ-CD2 3.84Å; F213-F279 HydrophobicContact CZ-CD2 3.84Å; F213-F279 HydrophobicContact CZ-CE2 4.18Å; L218-F279 HydrophobicContact CD1-CD2 4.04Å; L218-F279 HydrophobicContact CD1-CE2 4.11Å; L218-F279 HydrophobicContact CD2-CB 3.97Å; L218-F279 HydrophobicContact CD2-CD2 3.95Å; L218-F279 HydrophobicContact CD2-CG 4.25Å; L218-F279 HydrophobicContact CG-CD2 4.5Å; R234-F279 HydrophobicContact CG-CD1 4.27Å; R234-F279 HydrophobicContact CG-CE1 3.47Å; R234-F279 VanDerWaalsContact CG-CE1 3.47Å; R234-F279 HydrophobicContact CG-CZ 3.93Å; R234-F279 VanDerWaalsContact CZ-CD1 3.43Å; V235-F279 HydrophobicContact CG2-CE2 4.1Å; V235-F279 HydrophobicContact CG2-CZ 4.33Å; A238-F279 HydrophobicContact CB-CE1 4.31Å; A238-F279 HydrophobicContact CB-CZ 3.84Å; C275-F279 WeakPolarHBondContact O-CD1 3.43Å; L276-F279 HydrophobicContact CD2-CE1 4.28Å; L276-F279 HydrophobicContact CD2-CE2 3.79Å; L276-F279 HydrophobicContact CD2-CZ 3.69Å; L276-F279 WeakPolarHBondContact O-CB 3.41Å; L276-F279 WeakPolarHBondContact O-CD1 3.02Å; L276-F279 WeakPolarHBondContact O-CG 3.49Å; L276-F279 PolarHBondContact O-N 3.34Å; L276-F279 VanDerWaalsContact O-N 3.15Å; F279-L281 VanDerWaalsContact C-N 3.27Å; F279-L281 HydrophobicContact CB-CD2 4.11Å; F279-L281 PolarHBondContact O-N 2.95Å
280	P	87.8	Confident	86	Confident	89 Å²	89	53 Å²	53	58%	0.578	31%	0.305	S	S	*	.			trans	-77.9	79	177.1	32.8	-34.5	0	0	0	109.7	T282	P280-T282 PolarHBondContact O-N 2.61Å; P280-T282 PolarHBondContact O-OG1 2.93Å
281	L	92.2	Very high	86	Confident	37 Å²	37	58.6 Å²	58.6	19%	0.194	33%	0.326	C	S	.	.			trans	-57.2	123.4	-175.2	-58.5	-179.2	0	0	0	110.8	V182 F213 A217 L218 F279 V290 W292	V182-L281 HydrophobicContact CG1-CD1 4.09Å; V182-L281 HydrophobicContact CG1-CD2 3.98Å; V182-L281 HydrophobicContact CG2-CD1 4.14Å; V182-L281 HydrophobicContact CG2-CD2 4.12Å; F213-L281 HydrophobicContact CZ-CD2 4.45Å; A217-L281 HydrophobicContact CB-CD2 4.42Å; A217-L281 WeakPolarHBondContact O-CA 3.24Å; L218-L281 HydrophobicContact CD2-CD2 4.21Å; F279-L281 VanDerWaalsContact C-N 3.27Å; F279-L281 HydrophobicContact CB-CD2 4.11Å; F279-L281 PolarHBondContact O-N 2.95Å; L281-V290 HydrophobicContact CB-CG1 3.79Å; L281-V290 HydrophobicContact CB-CG2 4.06Å; L281-V290 HydrophobicContact CD1-CG2 4.24Å; L281-W292 HydrophobicContact CD1-CD2 4.43Å; L281-W292 HydrophobicContact CD1-CG 4.19Å
282	T	88.4	Confident	86.2	Confident	70 Å²	70	56.6 Å²	56.6	43%	0.429	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-136.8	126.5	177	-54.9	0	0	0	0	107.4	A217 L218 N219 P280 G284 V290	A217-T282 CarbonylContact C-O 3.6Å; A217-T282 PolarHBondContact O-N 2.99Å; A217-T282 VanDerWaalsContact O-O 3.06Å; L218-T282 PolarHBondContact N-O 3.28Å; N219-T282 HydrophobicContact CB-CG2 3.72Å; N219-T282 PolarHBondContact N-O 3.29Å; P280-T282 PolarHBondContact O-N 2.61Å; P280-T282 PolarHBondContact O-OG1 2.93Å; T282-G284 PolarHBondContact O-N 2.61Å; T282-V290 VanDerWaalsContact C-CG1 3.48Å
283	A	82.1	Confident	86.5	Confident	28 Å²	28	51 Å²	51	23%	0.231	28%	0.284	C	S	.	.			trans	-66.4	132.9	-176.3	0	0	0	0	0	109.8	A287 V290	A283-A287 HydrophobicContact CB-CB 4.04Å; A283-V290 HydrophobicContact CB-CB 4.22Å; A283-V290 HydrophobicContact CB-CG1 4.06Å; A283-V290 VanDerWaalsContact N-CG1 3.26Å
284	G	81.8	Confident	86.9	Confident	3 Å²	3	52.3 Å²	52.3	3%	0.031	29%	0.285	C	S	.	.			trans	-72.5	-178.3	175	0	0	0	0	0	114.1	E215 E216 T282 D286 A287	E215-G284 VanDerWaalsContact O-CA 3.22Å; E215-G284 WeakPolarHBondContact O-CA 3.28Å; E216-G284 PolarHBondContact O-N 3.48Å; T282-G284 PolarHBondContact O-N 2.61Å; G284-D286 PolarHBondContact O-N 3.32Å; G284-A287 PolarHBondContact O-N 3.44Å
285	D	77.5	Confident	87.4	Confident	89 Å²	89	47.4 Å²	47.4	48%	0.476	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.5	-176.8	-67.9	-40.1	0	0	0	114.1	K187 T221	K187-D285 WeakPolarHBondContact CD-O 3.26Å; K187-D285 WeakPolarHBondContact CE-O 3.31Å; K187-D285 PolarHBondContact NZ-O 3.37Å; T221-D285 WeakPolarHBondContact CB-OD2 3.38Å; T221-D285 PolarHBondContact OG1-OD2 2.79Å
286	D	69.1	Low	87.9	Confident	116 Å²	116	46.1 Å²	46.1	62%	0.62	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-5.1	178	-77.2	-35.2	0	0	0	113.7	K187 G284	K187-D286 VanDerWaalsContact CG-O 3.31Å; K187-D286 WeakPolarHBondContact CG-O 3.3Å; K187-D286 PolarHBondContact N-O 2.91Å; G284-D286 PolarHBondContact O-N 3.32Å
287	A	77.3	Confident	88.4	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.033	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.2	176.5	0	0	0	0	0	111.9	I184 K187 A283 G284	I184-A287 HydrophobicContact CB-CB 3.98Å; I184-A287 HydrophobicContact CD1-CB 4.39Å; I184-A287 HydrophobicContact CG2-CB 4.08Å; K187-A287 VanDerWaalsContact CE-C 3.44Å; K187-A287 WeakPolarHBondContact CE-O 3.33Å; A283-A287 HydrophobicContact CB-CB 4.04Å; G284-A287 PolarHBondContact O-N 3.44Å
288	E	84	Confident	89.1	Confident	108 Å²	108	53.5 Å²	53.5	51%	0.505	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-29.4	174	-163.3	-165.7	158.4	0	0	111.5	R185 K187	R185-E288 VanDerWaalsContact CZ-CD 3.44Å; R185-E288 IonicContact CZ-OE1 3.66Å; R185-E288 IonicContact CZ-OE2 3.66Å; R185-E288 IonicContact NE-OE1 3.44Å; R185-E288 IonicContact NE-OE2 3.07Å; R185-E288 PolarHBondContact NE-OE2 3.45Å; R185-E288 IonicContact NH2-OE1 3.74Å; R185-E288 PolarHBondContact NH2-OE1 3.01Å; R185-E288 IonicContact NH2-OE2 3.36Å; R185-E288 PolarHBondContact NH2-OE2 3.08Å; R185-E288 VanDerWaalsContact NH2-OE2 3.14Å; R185-E288 PolarHBondContact O-N 3.21Å; K187-E288 HydrophobicContact CG-CB 4.14Å
289	A	92.7	Very high	89.5	Confident	26 Å²	26	49.6 Å²	49.6	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.9	-179.3	0	0	0	0	0	110.5	I184 R185 W192	I184-A289 CarbonylContact C-O 3.51Å; I184-A289 VanDerWaalsContact CA-O 3.26Å; I184-A289 WeakPolarHBondContact CA-O 3.28Å; R185-A289 HydrophobicContact CB-CB 4.19Å; R185-A289 PolarHBondContact N-O 2.74Å; W192-A289 HydrophobicContact CH2-CB 3.99Å
290	V	94.9	Very high	89.9	Confident	27 Å²	27	56.6 Å²	56.6	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.2	172.4	65	0	0	0	0	109.2	V182 S183 I184 A217 L281 T282 A283	V182-V290 HydrophobicContact CG1-CG2 3.87Å; S183-V290 WeakPolarHBondContact O-CA 3.24Å; I184-V290 HydrophobicContact CG2-CB 4.12Å; I184-V290 HydrophobicContact CG2-CG2 3.93Å; A217-V290 HydrophobicContact CB-CG2 4.12Å; L281-V290 HydrophobicContact CB-CG1 3.79Å; L281-V290 HydrophobicContact CB-CG2 4.06Å; L281-V290 HydrophobicContact CD1-CG2 4.24Å; T282-V290 VanDerWaalsContact C-CG1 3.48Å; A283-V290 HydrophobicContact CB-CB 4.22Å; A283-V290 HydrophobicContact CB-CG1 4.06Å; A283-V290 VanDerWaalsContact N-CG1 3.26Å
291	R	95.7	Very high	90.2	Very high	120 Å²	120	53 Å²	53	45%	0.453	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	164.1	174.5	69.8	-176.7	-174.2	-174.4	-1.5	112.7	S183 W192 T293	S183-R291 PolarHBondContact N-O 2.84Å; S183-R291 PolarHBondContact O-N 3.27Å; S183-R291 PolarHBondContact OG-O 2.88Å; W192-R291 HydrophobicContact CH2-CG 3.71Å; W192-R291 HydrophobicContact CZ3-CG 3.73Å; R291-T293 WeakPolarHBondContact CG-OG1 3.29Å; R291-T293 PolarHBondContact NE-OG1 3Å
292	W	96.7	Very high	90.2	Very high	40 Å²	40	51.9 Å²	51.9	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.1	155.8	-69.5	101.8	0	0	0	109.5	V157 R159 Q180 F181 V182 L281	V157-W292 HydrophobicContact CG1-CH2 3.83Å; V157-W292 HydrophobicContact CG1-CZ3 4.46Å; R159-W292 HydrophobicContact CB-CH2 4.11Å; R159-W292 HydrophobicContact CB-CZ3 4.12Å; R159-W292 HydrophobicContact CG-CD2 4.25Å; R159-W292 HydrophobicContact CG-CE3 3.82Å; R159-W292 HydrophobicContact CG-CH2 3.84Å; R159-W292 HydrophobicContact CG-CZ2 4.31Å; R159-W292 HydrophobicContact CG-CZ3 3.6Å; R159-W292 VanDerWaalsContact CZ-CD1 3.48Å; Q180-W292 HydrophobicContact CB-CB 4.4Å; Q180-W292 HydrophobicContact CB-CE3 3.88Å; F181-W292 CarbonylContact O-C 3.6Å; F181-W292 WeakPolarHBondContact O-CA 3.44Å; V182-W292 HydrophobicContact CG2-CD2 4.09Å; V182-W292 HydrophobicContact CG2-CE3 3.88Å; V182-W292 HydrophobicContact CG2-CH2 3.57Å; V182-W292 HydrophobicContact CG2-CZ2 3.74Å; V182-W292 HydrophobicContact CG2-CZ3 3.61Å; L281-W292 HydrophobicContact CD1-CD2 4.43Å; L281-W292 HydrophobicContact CD1-CG 4.19Å
293	T	97.3	Very high	90.4	Very high	9 Å²	9	48.7 Å²	48.7	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.7	177.6	-69	0	0	0	0	109.3	Q180 F181 S183 R291 I295 L299	Q180-T293 CarbonylContact C-O 3.58Å; Q180-T293 WeakPolarHBondContact CA-O 3.12Å; F181-T293 HydrophobicContact CD1-CG2 4.42Å; F181-T293 WeakPolarHBondContact CD1-O 3.12Å; F181-T293 HydrophobicContact CE1-CG2 3.72Å; F181-T293 HydrophobicContact CZ-CG2 4.45Å; F181-T293 PolarHBondContact N-O 3.07Å; F181-T293 PolarHBondContact O-N 2.93Å; S183-T293 PolarHBondContact OG-OG1 3.25Å; R291-T293 WeakPolarHBondContact CG-OG1 3.29Å; R291-T293 PolarHBondContact NE-OG1 3Å; T293-I295 PolarHBondContact O-N 3.11Å; T293-L299 HydrophobicContact CG2-CD2 3.64Å
294	D	97.9	Very high	90.9	Very high	52 Å²	52	48 Å²	48	28%	0.278	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	129	171.8	-70.4	4.8	0	0	0	109.4	K161 I178 Q180	K161-D294 IonicContact NZ-OD1 3.91Å; K161-D294 IonicContact NZ-OD2 3.46Å; K161-D294 PolarHBondContact NZ-OD2 2.68Å; I178-D294 HydrophobicContact CG2-CB 4.06Å; Q180-D294 WeakPolarHBondContact CG-OD1 3.39Å; Q180-D294 PolarHBondContact NE2-OD1 3.42Å
295	I	97.7	Very high	91.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.			trans	-77.1	128.8	176.6	-69.3	173.3	0	0	0	109.1	T158 L179 F181 T293 I309 A313 Q319 W320	T158-I295 HydrophobicContact CG2-CD1 4.42Å; L179-I295 HydrophobicContact CB-CB 4.49Å; L179-I295 HydrophobicContact CB-CD1 3.99Å; L179-I295 HydrophobicContact CD2-CD1 3.66Å; L179-I295 HydrophobicContact CG-CD1 3.83Å; L179-I295 WeakPolarHBondContact O-CB 3.44Å; L179-I295 PolarHBondContact O-N 3.48Å; F181-I295 HydrophobicContact CB-CD1 4.15Å; F181-I295 HydrophobicContact CB-CG1 4.43Å; F181-I295 HydrophobicContact CD1-CD1 4.23Å; F181-I295 HydrophobicContact CD1-CG1 3.63Å; F181-I295 HydrophobicContact CE1-CG1 4.35Å; F181-I295 HydrophobicContact CG-CG1 4.4Å; T293-I295 PolarHBondContact O-N 3.11Å; I295-I309 HydrophobicContact CB-CG2 4.14Å; I295-I309 HydrophobicContact CD1-CG2 3.83Å; I295-I309 HydrophobicContact CG1-CG2 3.63Å; I295-I309 HydrophobicContact CG2-CG2 3.54Å; I295-A313 HydrophobicContact CG2-CB 3.96Å; I295-Q319 PolarHBondContact O-NE2 3.13Å; I295-W320 HydrophobicContact CG2-CE3 3.84Å; I295-W320 HydrophobicContact CG2-CZ3 3.85Å
296	S	95.5	Very high	92.4	Very high	21 Å²	21	47.9 Å²	47.9	15%	0.147	24%	0.241	C	C	.	.			trans	-159	159.8	176.8	54.7	0	0	0	0	111.5	D298 L299 Q319 W320	S296-D298 VanDerWaalsContact C-N 3.26Å; S296-D298 WeakPolarHBondContact CB-OD1 3.39Å; S296-D298 PolarHBondContact O-N 3.17Å; S296-D298 PolarHBondContact OG-OD1 3.05Å; S296-L299 WeakPolarHBondContact O-CB 3.42Å; S296-L299 VanDerWaalsContact O-CG 3.27Å; S296-L299 WeakPolarHBondContact O-CG 3.47Å; S296-L299 PolarHBondContact O-N 3.16Å; S296-Q319 VanDerWaalsContact CB-NE2 3.25Å; S296-W320 WeakPolarHBondContact O-CZ3 3.37Å
297	S	95	Very high	93.7	Very high	52 Å²	52	46 Å²	46	36%	0.364	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.4	-177.9	49	0	0	0	0	115.6	L299 R306 W320	S297-L299 VanDerWaalsContact C-N 3.34Å; S297-R306 PolarHBondContact O-NE 2.6Å; S297-R306 PolarHBondContact O-NH2 3.17Å; S297-W320 WeakPolarHBondContact CA-OXT 3.21Å; S297-W320 WeakPolarHBondContact CB-OXT 3.2Å; S297-W320 PolarHBondContact N-OXT 3.39Å; S297-W320 PolarHBondContact OG-OXT 3.07Å
298	D	94.9	Very high	94.7	Very high	117 Å²	117	46 Å²	46	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.3	177	66	-41.4	0	0	0	113.8	S296 Q300	S296-D298 VanDerWaalsContact C-N 3.26Å; S296-D298 WeakPolarHBondContact CB-OD1 3.39Å; S296-D298 PolarHBondContact O-N 3.17Å; S296-D298 PolarHBondContact OG-OD1 3.05Å; D298-Q300 PolarHBondContact O-N 3.25Å; D298-Q300 PolarHBondContact O-NE2 3.49Å
299	L	94.5	Very high	95.3	Very high	23 Å²	23	40.8 Å²	40.8	12%	0.12	21%	0.206	C	C	.	.			trans	-52.7	129.1	177.2	-78.2	178.6	0	0	0	112.4	F181 T293 S296 S297 L301 R306 I309	F181-L299 HydrophobicContact CE1-CD1 3.94Å; T293-L299 HydrophobicContact CG2-CD2 3.64Å; S296-L299 WeakPolarHBondContact O-CB 3.42Å; S296-L299 VanDerWaalsContact O-CG 3.27Å; S296-L299 WeakPolarHBondContact O-CG 3.47Å; S296-L299 PolarHBondContact O-N 3.16Å; S297-L299 VanDerWaalsContact C-N 3.34Å; L299-L301 HydrophobicContact CB-CG 4.41Å; L299-R306 WeakPolarHBondContact O-CD 3.09Å; L299-I309 HydrophobicContact CD1-CG2 4.14Å
300	Q	94.4	Very high	95.6	Very high	158 Å²	158	43.4 Å²	43.4	74%	0.738	21%	0.212	S	C	*	.			trans	-104.6	110.8	171.2	-60.7	-59.8	-41.9	0	0	108.7	D298	D298-Q300 PolarHBondContact O-N 3.25Å; D298-Q300 PolarHBondContact O-NE2 3.49Å
301	L	94.7	Very high	95.7	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.073	22%	0.219	C	C	.	.			trans	-126.6	154.6	-177.9	-58.9	177.4	0	0	0	111.7	F181 W192 L299 H305 I309	F181-L301 HydrophobicContact CE2-CD1 4.46Å; F181-L301 HydrophobicContact CZ-CD1 3.85Å; F181-L301 HydrophobicContact CZ-CD2 4.01Å; W192-L301 HydrophobicContact CB-CD2 3.74Å; W192-L301 CarbonylContact O-C 3.51Å; W192-L301 VanDerWaalsContact O-CA 3.3Å; W192-L301 WeakPolarHBondContact O-CA 3.42Å; L299-L301 HydrophobicContact CB-CG 4.41Å; L301-H305 HydrophobicContact CB-CB 3.84Å; L301-H305 HydrophobicContact CD1-CB 4.1Å; L301-I309 HydrophobicContact CD1-CB 4.48Å; L301-I309 HydrophobicContact CD1-CG1 3.73Å
302	Y	92.8	Very high	95.9	Very high	13 Å²	13	39.1 Å²	39.1	5%	0.051	20%	0.197	C	C	.	.	S	Bend	trans	-58.2	146.5	174.5	-178.7	-100	0	0	0	112.2	Q191 W192 D252 R254 S304 H305	Q191-Y302 VanDerWaalsContact OE1-CD2 3.3Å; W192-Y302 PolarHBondContact O-N 3.17Å; D252-Y302 PolarHBondContact OD1-OH 2.82Å; D252-Y302 WeakPolarHBondContact OD2-CE1 3.49Å; D252-Y302 PolarHBondContact OD2-OH 2.95Å; R254-Y302 PolarHBondContact NE-OH 2.83Å; R254-Y302 VanDerWaalsContact NE-OH 3.11Å; R254-Y302 PolarHBondContact NH2-OH 2.93Å; Y302-S304 PolarHBondContact O-N 2.87Å; Y302-H305 VanDerWaalsContact O-CB 3.24Å; Y302-H305 WeakPolarHBondContact O-CB 2.96Å; Y302-H305 PolarHBondContact O-N 3.38Å; Y302-H305 VanDerWaalsContact O-N 3.11Å
303	A	91.6	Very high	95.9	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	-137.9	176.7	0	0	0	0	0	112.1	K44 V250 D252 H305	K44-A303 WeakPolarHBondContact CE-O 3.48Å; K44-A303 PolarHBondContact NZ-O 3.06Å; V250-A303 HydrophobicContact CG1-CB 3.89Å; D252-A303 HydrophobicContact CB-CB 4.36Å; A303-H305 VanDerWaalsContact C-N 3.28Å; A303-H305 PolarHBondContact O-N 3.32Å
304	S	93.6	Very high	95.9	Very high	12 Å²	12	40.7 Å²	40.7	8%	0.084	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	13.9	-179.1	-51.1	0	0	0	0	113.8	D251 Y302 R306 D307 F308	D251-S304 PolarHBondContact N-OG 3.18Å; D251-S304 VanDerWaalsContact N-OG 3.09Å; Y302-S304 PolarHBondContact O-N 2.87Å; S304-R306 VanDerWaalsContact C-N 3.26Å; S304-R306 PolarHBondContact O-N 2.7Å; S304-R306 VanDerWaalsContact O-N 3.16Å; S304-D307 WeakPolarHBondContact O-CB 3.23Å; S304-D307 PolarHBondContact O-N 3Å; S304-F308 PolarHBondContact O-N 2.83Å
305	H	94.9	Very high	95.9	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.06	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-33.6	-170.8	-66.7	-176.3	0	0	0	113.3	D154 I194 L301 Y302 A303 D307 F308 I309	D154-H305 IonicContact OD1-CE1 3.73Å; D154-H305 IonicContact OD1-NE2 3.69Å; I194-H305 HydrophobicContact CD1-CB 3.84Å; I194-H305 HydrophobicContact CG1-CB 4.24Å; I194-H305 PolarHBondContact N-ND1 2.85Å; I194-H305 VanDerWaalsContact N-ND1 3.12Å; L301-H305 HydrophobicContact CB-CB 3.84Å; L301-H305 HydrophobicContact CD1-CB 4.1Å; Y302-H305 VanDerWaalsContact O-CB 3.24Å; Y302-H305 WeakPolarHBondContact O-CB 2.96Å; Y302-H305 PolarHBondContact O-N 3.38Å; Y302-H305 VanDerWaalsContact O-N 3.11Å; A303-H305 VanDerWaalsContact C-N 3.28Å; A303-H305 PolarHBondContact O-N 3.32Å; H305-D307 PolarHBondContact O-N 2.99Å; H305-F308 AromaticContact CD2-CE2 3.93Å; H305-F308 PolarHBondContact O-N 2.93Å; H305-F308 VanDerWaalsContact O-N 3.16Å; H305-I309 WeakPolarHBondContact O-CG1 3.42Å; H305-I309 PolarHBondContact O-N 3.16Å
306	R	96	Very high	95.9	Very high	78 Å²	78	44.4 Å²	44.4	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-56.8	-37.4	174.4	-175.5	-174.3	172.9	-87	3.3	112	S297 L299 S304 I309 K310 W320	S297-R306 PolarHBondContact O-NE 2.6Å; S297-R306 PolarHBondContact O-NH2 3.17Å; L299-R306 WeakPolarHBondContact O-CD 3.09Å; S304-R306 VanDerWaalsContact C-N 3.26Å; S304-R306 PolarHBondContact O-N 2.7Å; S304-R306 VanDerWaalsContact O-N 3.16Å; R306-I309 PolarHBondContact O-N 2.84Å; R306-K310 WeakPolarHBondContact O-CB 3.41Å; R306-K310 PolarHBondContact O-N 2.65Å; R306-W320 HydrophobicContact CG-CH2 3.95Å; R306-W320 HydrophobicContact CG-CZ2 4.32Å
307	D	95.8	Very high	96	Very high	75 Å²	75	47.9 Å²	47.9	40%	0.401	24%	0.237	S	C	.	.	H	α-helix	trans	-70.6	-36.5	-179.1	-57.2	-36.3	0	0	0	110.7	S304 H305 K310 L311	S304-D307 WeakPolarHBondContact O-CB 3.23Å; S304-D307 PolarHBondContact O-N 3Å; H305-D307 PolarHBondContact O-N 2.99Å; D307-K310 WeakPolarHBondContact O-CB 3.48Å; D307-K310 PolarHBondContact O-N 2.91Å; D307-L311 WeakPolarHBondContact O-CG 3.4Å; D307-L311 PolarHBondContact O-N 3.31Å; D307-L311 VanDerWaalsContact O-N 3.12Å
308	F	97.7	Very high	96.1	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-42.9	174.4	-47.7	-27.8	0	0	0	111.5	I156 I194 Y246 V250 T263 A265 S304 H305 K310 L311 V312	I156-F308 HydrophobicContact CD1-CB 3.79Å; I194-F308 HydrophobicContact CD1-CB 4.3Å; I194-F308 HydrophobicContact CD1-CD2 3.95Å; Y246-F308 HydrophobicContact CD1-CD1 4.08Å; Y246-F308 AromaticContact CD1-CE1 3.29Å; Y246-F308 HydrophobicContact CD1-CE1 3.29Å; Y246-F308 AromaticContact CD1-CZ 3.64Å; Y246-F308 HydrophobicContact CD1-CZ 3.64Å; Y246-F308 HydrophobicContact CD2-CD1 4.49Å; Y246-F308 HydrophobicContact CD2-CE1 4.1Å; Y246-F308 AromaticContact CE1-CE1 3.79Å; Y246-F308 HydrophobicContact CE1-CE1 3.79Å; Y246-F308 HydrophobicContact CE1-CZ 4.01Å; Y246-F308 AromaticContact CG-CD1 3.86Å; Y246-F308 HydrophobicContact CG-CD1 3.86Å; Y246-F308 AromaticContact CG-CE1 3.47Å; Y246-F308 HydrophobicContact CG-CE1 3.47Å; Y246-F308 VanDerWaalsContact CG-CE1 3.47Å; Y246-F308 HydrophobicContact CG-CZ 4.27Å; V250-F308 HydrophobicContact CG2-CZ 4.17Å; T263-F308 HydrophobicContact CG2-CE2 3.76Å; T263-F308 HydrophobicContact CG2-CZ 3.69Å; A265-F308 HydrophobicContact CB-CB 4.49Å; A265-F308 HydrophobicContact CB-CD2 4.06Å; A265-F308 HydrophobicContact CB-CG 4.2Å; S304-F308 PolarHBondContact O-N 2.83Å; H305-F308 AromaticContact CD2-CE2 3.93Å; H305-F308 PolarHBondContact O-N 2.93Å; H305-F308 VanDerWaalsContact O-N 3.16Å; F308-K310 VanDerWaalsContact C-N 3.29Å; F308-K310 PolarHBondContact O-N 2.79Å; F308-L311 PolarHBondContact O-N 3.11Å; F308-V312 WeakPolarHBondContact O-CG2 3.45Å; F308-V312 PolarHBondContact O-N 3.08Å
309	I	98.3	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-37.1	176.4	-62.9	-54.4	0	0	0	111.3	I156 F181 I194 I295 L299 L301 H305 R306 V312 A313 W320	I156-I309 HydrophobicContact CD1-CD1 4.46Å; I156-I309 HydrophobicContact CG2-CD1 3.66Å; F181-I309 HydrophobicContact CB-CD1 4.36Å; F181-I309 HydrophobicContact CD1-CD1 4.24Å; F181-I309 HydrophobicContact CD2-CD1 3.57Å; F181-I309 HydrophobicContact CD2-CG1 4.42Å; F181-I309 HydrophobicContact CE1-CD1 4.44Å; F181-I309 HydrophobicContact CE1-CG1 4.48Å; F181-I309 HydrophobicContact CE2-CD1 3.81Å; F181-I309 HydrophobicContact CE2-CG1 4.2Å; F181-I309 HydrophobicContact CG-CD1 3.81Å; F181-I309 HydrophobicContact CZ-CD1 4.24Å; F181-I309 HydrophobicContact CZ-CG1 4.23Å; I194-I309 HydrophobicContact CD1-CD1 4.25Å; I194-I309 HydrophobicContact CG1-CD1 4.25Å; I295-I309 HydrophobicContact CB-CG2 4.14Å; I295-I309 HydrophobicContact CD1-CG2 3.83Å; I295-I309 HydrophobicContact CG1-CG2 3.63Å; I295-I309 HydrophobicContact CG2-CG2 3.54Å; L299-I309 HydrophobicContact CD1-CG2 4.14Å; L301-I309 HydrophobicContact CD1-CB 4.48Å; L301-I309 HydrophobicContact CD1-CG1 3.73Å; H305-I309 WeakPolarHBondContact O-CG1 3.42Å; H305-I309 PolarHBondContact O-N 3.16Å; R306-I309 PolarHBondContact O-N 2.84Å; I309-V312 PolarHBondContact O-N 2.89Å; I309-A313 PolarHBondContact O-N 3.2Å; I309-W320 HydrophobicContact CG2-CZ3 4.04Å
310	K	97.8	Very high	96.2	Very high	80 Å²	80	42.6 Å²	42.6	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-58.3	-49.7	172.7	-177	-179.7	170.7	-164.3	0	111.5	R306 D307 F308 V312 A313 E314 W320	R306-K310 WeakPolarHBondContact O-CB 3.41Å; R306-K310 PolarHBondContact O-N 2.65Å; D307-K310 WeakPolarHBondContact O-CB 3.48Å; D307-K310 PolarHBondContact O-N 2.91Å; F308-K310 VanDerWaalsContact C-N 3.29Å; F308-K310 PolarHBondContact O-N 2.79Å; K310-V312 VanDerWaalsContact C-N 3.27Å; K310-V312 PolarHBondContact O-N 2.85Å; K310-A313 WeakPolarHBondContact O-CB 3.34Å; K310-A313 PolarHBondContact O-N 3.24Å; K310-A313 VanDerWaalsContact O-N 3.13Å; K310-E314 WeakPolarHBondContact CE-OE1 3.18Å; K310-E314 IonicContact NZ-OE1 3.82Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 3Å; K310-W320 HydrophobicContact CB-CD2 4.35Å; K310-W320 HydrophobicContact CB-CE3 4.48Å; K310-W320 HydrophobicContact CB-CH2 3.66Å; K310-W320 HydrophobicContact CB-CZ2 3.47Å; K310-W320 VanDerWaalsContact CB-CZ2 3.47Å; K310-W320 HydrophobicContact CB-CZ3 4.17Å; K310-W320 HydrophobicContact CD-CZ2 4.02Å; K310-W320 HydrophobicContact CG-CD2 4.08Å; K310-W320 HydrophobicContact CG-CH2 4.33Å; K310-W320 HydrophobicContact CG-CZ2 3.71Å
311	L	97.9	Very high	96.3	Very high	58 Å²	58	36.8 Å²	36.8	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-37.7	178.5	-68.4	170.9	0	0	0	111.7	I245 D307 F308 E314 L315	I245-L311 HydrophobicContact CG2-CB 3.47Å; I245-L311 VanDerWaalsContact CG2-CB 3.47Å; I245-L311 HydrophobicContact CG2-CD1 3.89Å; I245-L311 HydrophobicContact CG2-CG 4.34Å; D307-L311 WeakPolarHBondContact O-CG 3.4Å; D307-L311 PolarHBondContact O-N 3.31Å; D307-L311 VanDerWaalsContact O-N 3.12Å; F308-L311 PolarHBondContact O-N 3.11Å; L311-E314 PolarHBondContact O-N 3.18Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 PolarHBondContact O-N 2.98Å
312	V	98.3	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-43	173.8	173.5	0	0	0	0	111.9	I156 T158 L179 I245 N267 F308 I309 K310 E314 L315 R316	I156-V312 HydrophobicContact CD1-CG2 3.97Å; I156-V312 HydrophobicContact CG2-CG2 4.17Å; T158-V312 HydrophobicContact CG2-CG1 3.93Å; L179-V312 HydrophobicContact CD2-CG1 3.84Å; I245-V312 HydrophobicContact CB-CG2 4.42Å; I245-V312 HydrophobicContact CD1-CG2 3.7Å; I245-V312 HydrophobicContact CG1-CG2 3.59Å; I245-V312 HydrophobicContact CG2-CG2 4.05Å; N267-V312 HydrophobicContact CB-CG2 3.92Å; F308-V312 WeakPolarHBondContact O-CG2 3.45Å; F308-V312 PolarHBondContact O-N 3.08Å; I309-V312 PolarHBondContact O-N 2.89Å; K310-V312 VanDerWaalsContact C-N 3.27Å; K310-V312 PolarHBondContact O-N 2.85Å; V312-E314 VanDerWaalsContact C-N 3.3Å; V312-E314 PolarHBondContact O-N 2.83Å; V312-L315 PolarHBondContact O-N 3.06Å; V312-R316 HydrophobicContact CG1-CG 4.32Å; V312-R316 WeakPolarHBondContact O-CB 3.28Å; V312-R316 WeakPolarHBondContact O-CG 3.43Å; V312-R316 PolarHBondContact O-N 3.15Å
313	A	98.2	Very high	96.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-42.9	176.6	0	0	0	0	0	111.4	I295 I309 K310 N317 A318 W320	I295-A313 HydrophobicContact CG2-CB 3.96Å; I309-A313 PolarHBondContact O-N 3.2Å; K310-A313 WeakPolarHBondContact O-CB 3.34Å; K310-A313 PolarHBondContact O-N 3.24Å; K310-A313 VanDerWaalsContact O-N 3.13Å; A313-N317 PolarHBondContact O-N 2.89Å; A313-N317 VanDerWaalsContact O-N 3.09Å; A313-A318 HydrophobicContact CB-CB 4.28Å; A313-A318 PolarHBondContact O-N 3.09Å; A313-W320 HydrophobicContact CB-CB 4.46Å; A313-W320 HydrophobicContact CB-CE3 3.95Å
314	E	97.5	Very high	96.9	Very high	81 Å²	81	41.5 Å²	41.5	38%	0.379	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-50	175.4	-71.1	173.7	175.4	0	0	111.7	K310 L311 V312 R316 N317	K310-E314 WeakPolarHBondContact CE-OE1 3.18Å; K310-E314 IonicContact NZ-OE1 3.82Å; K310-E314 WeakPolarHBondContact O-CG 3.27Å; K310-E314 PolarHBondContact O-N 3Å; L311-E314 PolarHBondContact O-N 3.18Å; V312-E314 VanDerWaalsContact C-N 3.3Å; V312-E314 PolarHBondContact O-N 2.83Å; E314-R316 VanDerWaalsContact C-N 3.25Å; E314-R316 PolarHBondContact O-N 3.25Å; E314-N317 PolarHBondContact O-N 2.96Å; E314-N317 VanDerWaalsContact O-N 3.08Å
315	L	97.7	Very high	97.1	Very high	65 Å²	65	43.4 Å²	43.4	34%	0.34	20%	0.201	S	C	.	.	H	α-helix	trans	-54.4	-41.3	177.4	175.2	67.3	0	0	0	112.2	V243 I245 L311 V312	V243-L315 HydrophobicContact CB-CD2 4.19Å; V243-L315 HydrophobicContact CG1-CD2 3.84Å; I245-L315 HydrophobicContact CD1-CD2 3.56Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 PolarHBondContact O-N 2.98Å; V312-L315 PolarHBondContact O-N 3.06Å
316	R	97.1	Very high	97.3	Very high	65 Å²	65	45.4 Å²	45.4	25%	0.245	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	0.4	-177	-58.2	-60	176.5	-173.6	-2.7	113.4	W160 L179 N267 H269 V312 E314 A318	W160-R316 HydrophobicContact CH2-CB 4.1Å; W160-R316 VanDerWaalsContact CH2-O 3.29Å; W160-R316 WeakPolarHBondContact CH2-O 3.43Å; W160-R316 HydrophobicContact CZ2-CB 4.29Å; L179-R316 HydrophobicContact CD2-CB 4.03Å; L179-R316 HydrophobicContact CD2-CG 3.98Å; N267-R316 PolarHBondContact OD1-NE 3.05Å; N267-R316 PolarHBondContact OD1-NH2 2.84Å; H269-R316 VanDerWaalsContact CB-CZ 3.48Å; V312-R316 HydrophobicContact CG1-CG 4.32Å; V312-R316 WeakPolarHBondContact O-CB 3.28Å; V312-R316 WeakPolarHBondContact O-CG 3.43Å; V312-R316 PolarHBondContact O-N 3.15Å; E314-R316 VanDerWaalsContact C-N 3.25Å; E314-R316 PolarHBondContact O-N 3.25Å; R316-A318 PolarHBondContact O-N 3.41Å
317	N	97	Very high	97.4	Very high	94 Å²	94	43.1 Å²	43.1	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	37.9	-172.5	-168.3	35.8	0	0	0	112.8	R176 A313 E314	R176-N317 VanDerWaalsContact CZ-OD1 3.29Å; R176-N317 PolarHBondContact NH1-OD1 3.07Å; A313-N317 PolarHBondContact O-N 2.89Å; A313-N317 VanDerWaalsContact O-N 3.09Å; E314-N317 PolarHBondContact O-N 2.96Å; E314-N317 VanDerWaalsContact O-N 3.08Å
318	A	97.8	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.189	C	C	.	.			trans	-80.4	171.4	175.6	0	0	0	0	0	111.2	W160 R176 P177 L179 A313 R316	W160-A318 HydrophobicContact CH2-CB 4.19Å; W160-A318 HydrophobicContact CZ3-CB 3.94Å; R176-A318 VanDerWaalsContact CD-O 3.27Å; R176-A318 WeakPolarHBondContact CD-O 3.07Å; P177-A318 WeakPolarHBondContact O-CA 3.22Å; L179-A318 HydrophobicContact CB-CB 3.64Å; L179-A318 HydrophobicContact CD2-CB 4.3Å; A313-A318 HydrophobicContact CB-CB 4.28Å; A313-A318 PolarHBondContact O-N 3.09Å; R316-A318 PolarHBondContact O-N 3.41Å
319	Q	96.7	Very high	97.5	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.056	20%	0.203	C	C	.	.			trans	-65.7	148.3	168.4	88.2	94.9	25	0	0	110.9	N171 R176 P177 I178 I295 S296	N171-Q319 HydrophobicContact CB-CB 3.81Å; N171-Q319 HydrophobicContact CB-CG 3.97Å; N171-Q319 PolarHBondContact ND2-OE1 3.3Å; R176-Q319 HydrophobicContact CB-CB 3.94Å; P177-Q319 PolarHBondContact O-N 3.38Å; I178-Q319 HydrophobicContact CG1-CG 4.07Å; I295-Q319 PolarHBondContact O-NE2 3.13Å; S296-Q319 VanDerWaalsContact CB-NE2 3.25Å
320	W	95.3	Very high	97.4	Very high	68 Å²	68	47.6 Å²	47.6	26%	0.258	22%	0.222	S	C	.	.			trans	-144.8	0	174.3	-176.1	-107.9	0	0	0	109.3	I295 S296 S297 R306 I309 K310 A313	I295-W320 HydrophobicContact CG2-CE3 3.84Å; I295-W320 HydrophobicContact CG2-CZ3 3.85Å; S296-W320 WeakPolarHBondContact O-CZ3 3.37Å; S297-W320 WeakPolarHBondContact CA-OXT 3.21Å; S297-W320 WeakPolarHBondContact CB-OXT 3.2Å; S297-W320 PolarHBondContact N-OXT 3.39Å; S297-W320 PolarHBondContact OG-OXT 3.07Å; R306-W320 HydrophobicContact CG-CH2 3.95Å; R306-W320 HydrophobicContact CG-CZ2 4.32Å; I309-W320 HydrophobicContact CG2-CZ3 4.04Å; K310-W320 HydrophobicContact CB-CD2 4.35Å; K310-W320 HydrophobicContact CB-CE3 4.48Å; K310-W320 HydrophobicContact CB-CH2 3.66Å; K310-W320 HydrophobicContact CB-CZ2 3.47Å; K310-W320 VanDerWaalsContact CB-CZ2 3.47Å; K310-W320 HydrophobicContact CB-CZ3 4.17Å; K310-W320 HydrophobicContact CD-CZ2 4.02Å; K310-W320 HydrophobicContact CG-CD2 4.08Å; K310-W320 HydrophobicContact CG-CH2 4.33Å; K310-W320 HydrophobicContact CG-CZ2 3.71Å; A313-W320 HydrophobicContact CB-CB 4.46Å; A313-W320 HydrophobicContact CB-CE3 3.95Å

Retrieved 320 of 320 residues in 243.6 ms (Link to these results)

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