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Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial

Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).

AlphaFold DB , UniProt , Accession G4LY63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 650 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	45.3	Very low	44.3	Very low	215 Å²	215	111.1 Å²	111.1	100%	1.059	62%	0.617	S	S	*	*				0	-35.8	0	-73.5	-172.8	-138.6	0	0	113.8	H3 L4	M1-H3 PolarHBondContact O-N 2.8Å; M1-L4 PolarHBondContact O-N 3.02Å
2	V	46.1	Very low	44.1	Very low	115 Å²	115	116.9 Å²	116.9	70%	0.697	62%	0.622	S	S	*	*	H	α-helix	trans	-67.4	-29.1	178.3	179.6	0	0	0	0	113.7
3	H	39.7	Very low	43.9	Very low	167 Å²	167	120.7 Å²	120.7	77%	0.773	63%	0.63	S	S	*	*	H	α-helix	trans	-74.9	-21.1	174.3	-88	-29.9	0	0	0	115.4	M1	M1-H3 PolarHBondContact O-N 2.8Å
4	L	41.6	Very low	43.7	Very low	126 Å²	126	115.9 Å²	115.9	66%	0.66	62%	0.617	S	S	*	*	H	α-helix	trans	-81.3	-27.5	176.7	-139	82.2	0	0	0	111.9	M1 S7 L8	M1-L4 PolarHBondContact O-N 3.02Å; L4-S7 PolarHBondContact O-OG 2.99Å; L4-S7 VanDerWaalsContact O-OG 3.12Å; L4-L8 PolarHBondContact O-N 3.22Å
5	A	44.9	Very low	43.5	Very low	58 Å²	58	114.1 Å²	114.1	48%	0.479	61%	0.612	S	S	.	*	H	α-helix	trans	-74.5	-28.3	176.7	0	0	0	0	0	112.8	N9	A5-N9 PolarHBondContact O-N 3.17Å
6	L	42.1	Very low	43	Very low	111 Å²	111	117.5 Å²	117.5	58%	0.581	62%	0.619	S	S	*	*	H	α-helix	trans	-76.6	-30.9	177.7	-76.5	162.6	0	0	0	112.7	A10	L6-A10 PolarHBondContact O-N 3.44Å
7	S	48.5	Very low	42.4	Very low	55 Å²	55	117.4 Å²	117.4	39%	0.385	62%	0.619	S	S	.	*	H	α-helix	trans	-74.8	-35.8	176.1	66	0	0	0	0	112.8	L4 A10 I11	L4-S7 PolarHBondContact O-OG 2.99Å; L4-S7 VanDerWaalsContact O-OG 3.12Å; S7-A10 PolarHBondContact O-N 3.17Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.43Å
8	L	42.2	Very low	42	Very low	101 Å²	101	117.9 Å²	117.9	53%	0.529	62%	0.622	S	S	.	*	H	α-helix	trans	-67.6	-34.1	176.5	-87.3	155.7	0	0	0	113.1	L4 R12	L4-L8 PolarHBondContact O-N 3.22Å; L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 PolarHBondContact O-N 3.21Å
9	N	44.4	Very low	41.5	Very low	106 Å²	106	122.4 Å²	122.4	57%	0.567	63%	0.631	S	S	*	*	H	α-helix	trans	-75.3	-31.7	174.6	-91.1	-19.9	0	0	0	113	A5 K13	A5-N9 PolarHBondContact O-N 3.17Å; N9-K13 PolarHBondContact O-N 3.04Å
10	A	46.3	Very low	41	Very low	61 Å²	61	123.3 Å²	123.3	50%	0.504	64%	0.636	S	S	.	*	H	α-helix	trans	-67.6	-40.1	171.6	0	0	0	0	0	111.8	L6 S7 K13 A14	L6-A10 PolarHBondContact O-N 3.44Å; S7-A10 PolarHBondContact O-N 3.17Å; A10-K13 PolarHBondContact O-N 2.94Å; A10-A14 WeakPolarHBondContact O-CB 3.39Å; A10-A14 PolarHBondContact O-N 3.37Å
11	I	46.3	Very low	40.4	Very low	107 Å²	107	122 Å²	122	55%	0.549	63%	0.634	S	S	.	*	H	α-helix	trans	-68.5	-39.8	176.7	-67.2	166.1	0	0	0	111.3	S7 A14 T15	S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.36Å; S7-I11 PolarHBondContact O-N 3.43Å; I11-A14 PolarHBondContact O-N 3.43Å; I11-T15 PolarHBondContact O-N 2.97Å; I11-T15 PolarHBondContact O-OG1 3.21Å
12	R	42.1	Very low	39.8	Very low	181 Å²	181	118.2 Å²	118.2	68%	0.683	62%	0.618	S	S	*	*	H	α-helix	trans	-67.7	-33.5	174.4	-83.3	-177.7	172.3	-176.5	-1.6	113.5	L8 T15 K16	L8-R12 WeakPolarHBondContact O-CB 3.38Å; L8-R12 PolarHBondContact O-N 3.21Å; R12-T15 WeakPolarHBondContact CA-OG1 3.5Å; R12-T15 PolarHBondContact O-OG1 3.03Å; R12-K16 PolarHBondContact O-N 2.81Å; R12-K16 VanDerWaalsContact O-N 3.12Å
13	K	41.2	Very low	39.2	Very low	166 Å²	166	118.5 Å²	118.5	72%	0.722	61%	0.614	S	S	*	*	H	α-helix	trans	-71.3	-40.3	171.7	-96.2	-176.4	173.7	-178	0	111.6	N9 A10 T15 K16 L17	N9-K13 PolarHBondContact O-N 3.04Å; A10-K13 PolarHBondContact O-N 2.94Å; K13-T15 PolarHBondContact O-N 2.81Å; K13-K16 PolarHBondContact O-N 3.33Å; K13-L17 VanDerWaalsContact O-CB 3.25Å; K13-L17 WeakPolarHBondContact O-CB 3.43Å; K13-L17 PolarHBondContact O-N 3.05Å
14	A	41.8	Very low	38.7	Very low	54 Å²	54	121 Å²	121	45%	0.446	62%	0.619	S	S	.	*	H	α-helix	trans	-65.1	-36	175.9	0	0	0	0	0	112.9	A10 I11 N18	A10-A14 WeakPolarHBondContact O-CB 3.39Å; A10-A14 PolarHBondContact O-N 3.37Å; I11-A14 PolarHBondContact O-N 3.43Å; A14-N18 WeakPolarHBondContact O-CB 3.11Å; A14-N18 PolarHBondContact O-N 3.26Å
15	T	39.8	Very low	38.3	Very low	88 Å²	88	121.3 Å²	121.3	54%	0.54	62%	0.617	S	S	.	*	H	α-helix	trans	-76.5	-30.3	176.3	28.8	0	0	0	0	113.9	I11 R12 K13	I11-T15 PolarHBondContact O-N 2.97Å; I11-T15 PolarHBondContact O-OG1 3.21Å; R12-T15 WeakPolarHBondContact CA-OG1 3.5Å; R12-T15 PolarHBondContact O-OG1 3.03Å; K13-T15 PolarHBondContact O-N 2.81Å
16	K	36.2	Very low	37.6	Very low	169 Å²	169	124.2 Å²	124.2	74%	0.735	63%	0.633	S	S	*	*	H	α-helix	trans	-82.7	-26.8	173.1	-94.4	-173.6	173	-174.8	0	114.3	R12 K13	R12-K16 PolarHBondContact O-N 2.81Å; R12-K16 VanDerWaalsContact O-N 3.12Å; K13-K16 PolarHBondContact O-N 3.33Å
17	L	32.7	Very low	37.3	Very low	116 Å²	116	123.6 Å²	123.6	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-81.6	-36.3	178.8	-138.8	75.3	0	0	0	111.7	K13 Y19 L20 T21	K13-L17 VanDerWaalsContact O-CB 3.25Å; K13-L17 WeakPolarHBondContact O-CB 3.43Å; K13-L17 PolarHBondContact O-N 3.05Å; L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 2.73Å; L17-L20 PolarHBondContact O-N 3.13Å; L17-T21 PolarHBondContact O-N 3.46Å; L17-T21 PolarHBondContact O-OG1 3.13Å
18	N	34.4	Very low	36.8	Very low	127 Å²	127	128 Å²	128	68%	0.679	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-15.7	176	-80.8	-3.9	0	0	0	114.5	A14	A14-N18 WeakPolarHBondContact O-CB 3.11Å; A14-N18 PolarHBondContact O-N 3.26Å
19	Y	33.9	Very low	36.6	Very low	202 Å²	202	127.5 Å²	127.5	79%	0.792	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-11.1	176.9	-123.5	-90.5	0	0	0	113.9	L17	L17-Y19 VanDerWaalsContact C-N 3.31Å; L17-Y19 PolarHBondContact O-N 2.73Å
20	L	30.6	Very low	36.6	Very low	141 Å²	141	129.1 Å²	129.1	74%	0.738	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	-1.3	-170.4	-80.6	164.6	0	0	0	115.5	L17	L17-L20 PolarHBondContact O-N 3.13Å
21	T	28.2	Very low	36.1	Very low	96 Å²	96	133.6 Å²	133.6	59%	0.589	66%	0.656	S	S	*	*	S	Bend	trans	-123.3	12.3	-174.6	46	0	0	0	0	117.6	L17	L17-T21 PolarHBondContact O-N 3.46Å; L17-T21 PolarHBondContact O-OG1 3.13Å
22	N	32.2	Very low	35.8	Very low	135 Å²	135	130.6 Å²	130.6	72%	0.722	64%	0.641	S	S	*	*	S	Bend	trans	-122.2	15.8	174	-94.9	-12.9	0	0	0	116
23	I	35.1	Very low	35.7	Very low	121 Å²	121	127.3 Å²	127.3	62%	0.621	65%	0.646	S	S	*	*			trans	-119.5	50.6	-178.8	-45.2	179.3	0	0	0	111.8	F27	I23-F27 HydrophobicContact CG2-CZ 3.99Å
24	Y	28.7	Very low	35.9	Very low	221 Å²	221	129.2 Å²	129.2	87%	0.867	65%	0.65	S	S	*	*			trans	-133.8	58.6	163.6	-81.9	-81.8	0	0	0	109.7
25	Q	33.4	Very low	36.5	Very low	132 Å²	132	127.3 Å²	127.3	62%	0.617	63%	0.633	S	S	*	*	S	Bend	trans	-87.6	134.6	156.2	-80.4	-171.8	-16.5	0	0	108.1	F27	Q25-F27 PolarHBondContact O-N 3.12Å
26	S	30.8	Very low	37.3	Very low	118 Å²	118	129 Å²	129	83%	0.825	65%	0.648	S	S	*	*			trans	-48	110.9	-167.9	64.9	0	0	0	0	113.2
27	F	34.6	Very low	39.5	Very low	98 Å²	98	123.2 Å²	123.2	43%	0.43	64%	0.636	S	S	.	*			trans	-77.8	121.7	173.5	-62.6	-72.5	0	0	0	109.9	I23 Q25 I41	I23-F27 HydrophobicContact CG2-CZ 3.99Å; Q25-F27 PolarHBondContact O-N 3.12Å; F27-I41 HydrophobicContact CD1-CG2 3.64Å; F27-I41 HydrophobicContact CE1-CG2 3.74Å
28	K	37.7	Very low	42.2	Very low	147 Å²	147	118.6 Å²	118.6	64%	0.639	61%	0.611	S	S	*	*			trans	-97.4	95.1	162.1	-83.6	-176.3	177.7	174.7	0	108.2
29	C	39.1	Very low	45	Very low	92 Å²	92	116 Å²	116	62%	0.622	60%	0.6	S	S	*	*			trans	-73	123.3	165.4	-75.1	0	0	0	0	109.1
30	R	43.1	Very low	47.9	Very low	140 Å²	140	106.9 Å²	106.9	53%	0.528	57%	0.565	S	S	.	*			trans	-121.9	126	170.8	-78.1	-179.1	171.5	175.9	-3.5	109.3
31	N	36	Very low	51.1	Low	154 Å²	154	101.4 Å²	101.4	82%	0.824	54%	0.536	S	S	*	.			trans	-86.4	111	167.7	-77.1	-21.1	0	0	0	108.4
32	L	40.2	Very low	54.4	Low	45 Å²	45	99.6 Å²	99.6	24%	0.236	52%	0.522	C	S	.	.			trans	-94.5	144.4	173.6	-80.2	149	0	0	0	110.5	Y34 T35 P471	L32-Y34 PolarHBondContact O-N 3.35Å; L32-T35 PolarHBondContact O-N 3.08Å; L32-T35 VanDerWaalsContact O-N 3.13Å; L32-T35 PolarHBondContact O-OG1 3.4Å; L32-T35 VanDerWaalsContact O-OG1 3.05Å; L32-P471 HydrophobicContact CD1-CB 4.05Å; L32-P471 WeakPolarHBondContact CD1-O 3.41Å; L32-P471 HydrophobicContact CD2-CB 3.58Å; L32-P471 HydrophobicContact CG-CB 4.41Å
33	S	40	Very low	57.5	Low	112 Å²	112	94.6 Å²	94.6	78%	0.783	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	10.5	-154.8	60.6	0	0	0	0	117.1
34	Y	44.8	Very low	60.5	Low	205 Å²	205	91.4 Å²	91.4	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-2	168.5	-83.9	-85	0	0	0	113.7	L32 E475	L32-Y34 PolarHBondContact O-N 3.35Å; Y34-E475 WeakPolarHBondContact CB-OE1 3.41Å
35	T	55.4	Low	63.8	Low	15 Å²	15	81.4 Å²	81.4	9%	0.092	44%	0.444	C	S	.	.			trans	-103.2	33.7	179.8	60	0	0	0	0	112.1	L32 G37 Y38 E475 I478	L32-T35 PolarHBondContact O-N 3.08Å; L32-T35 VanDerWaalsContact O-N 3.13Å; L32-T35 PolarHBondContact O-OG1 3.4Å; L32-T35 VanDerWaalsContact O-OG1 3.05Å; T35-G37 PolarHBondContact O-N 3.34Å; T35-Y38 PolarHBondContact O-N 2.88Å; T35-E475 HydrophobicContact CG2-CG 4.23Å; T35-I478 HydrophobicContact CG2-CD1 4.21Å; T35-I478 HydrophobicContact CG2-CG2 4.3Å
36	S	57.1	Low	66.9	Low	124 Å²	124	76.3 Å²	76.3	87%	0.867	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	15.9	-161.9	68.5	0	0	0	0	117.1
37	G	82	Confident	70.1	Confident	47 Å²	47	70.7 Å²	70.7	49%	0.485	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	5.7	178.1	0	0	0	0	0	115.7	T35 K542	T35-G37 PolarHBondContact O-N 3.34Å; G37-K542 PolarHBondContact O-NZ 3.33Å
38	Y	89.7	Confident	73.2	Confident	19 Å²	19	66 Å²	66	8%	0.075	36%	0.361	C	S	.	.			trans	-125.6	130.3	-178.1	-72.5	-80	0	0	0	112.7	T35 L227 I478 Y481 E482 R485 K542	T35-Y38 PolarHBondContact O-N 2.88Å; Y38-L227 HydrophobicContact CD1-CD1 3.71Å; Y38-L227 HydrophobicContact CD1-CG 4.22Å; Y38-L227 HydrophobicContact CD2-CD1 4.47Å; Y38-L227 HydrophobicContact CE1-CD1 4.44Å; Y38-L227 HydrophobicContact CG-CD1 3.73Å; Y38-I478 HydrophobicContact CD2-CG2 3.97Å; Y38-I478 HydrophobicContact CG-CG2 4.42Å; Y38-Y481 AromaticContact CE1-CD1 3.96Å; Y38-Y481 HydrophobicContact CE1-CD1 3.96Å; Y38-Y481 AromaticContact CE1-CE1 3.6Å; Y38-Y481 HydrophobicContact CE1-CE1 3.6Å; Y38-Y481 AromaticContact CZ-CD1 3.79Å; Y38-Y481 AromaticContact CZ-CE1 3.76Å; Y38-Y481 WeakPolarHBondContact OH-CE1 3.42Å; Y38-E482 HydrophobicContact CE2-CB 4.11Å; Y38-E482 HydrophobicContact CE2-CG 4.43Å; Y38-E482 PolarHBondContact OH-OE2 3.01Å; Y38-R485 PolarHBondContact OH-NE 3.45Å; Y38-K542 HydrophobicContact CE1-CD 4.02Å
39	T	92.5	Very high	76.1	Confident	73 Å²	73	59 Å²	59	45%	0.448	33%	0.331	S	S	.	.			trans	-75.1	122.7	166.2	-55.8	0	0	0	0	108.6	I41 L227	T39-I41 HydrophobicContact CG2-CG1 4.21Å; T39-L227 PolarHBondContact O-N 3.3Å
40	I	95.1	Very high	79	Confident	10 Å²	10	55 Å²	55	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.8	175.8	-54.9	170.9	0	0	0	108.6	L227 R229 I478	I40-L227 CarbonylContact C-O 3.59Å; I40-L227 VanDerWaalsContact CA-O 3.3Å; I40-L227 WeakPolarHBondContact CA-O 3.4Å; I40-L227 HydrophobicContact CG1-CB 4.49Å; I40-R229 HydrophobicContact CG2-CG 4.11Å; I40-I478 HydrophobicContact CD1-CD1 3.52Å; I40-I478 HydrophobicContact CG1-CD1 4.08Å
41	I	97	Very high	81.6	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.128	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.8	-179.8	-55	-177	0	0	0	109.3	F27 T39 H43 L227 H228 R229	F27-I41 HydrophobicContact CD1-CG2 3.64Å; F27-I41 HydrophobicContact CE1-CG2 3.74Å; T39-I41 HydrophobicContact CG2-CG1 4.21Å; I41-H43 VanDerWaalsContact CG2-NE2 3.27Å; I41-H43 WeakPolarHBondContact CG2-NE2 3.32Å; I41-H43 PolarHBondContact O-CD2 3.1Å; I41-L227 PolarHBondContact N-O 2.81Å; I41-H228 CarbonylContact O-C 3.19Å; I41-H228 VanDerWaalsContact O-CA 3.25Å; I41-H228 WeakPolarHBondContact O-CA 3.31Å; I41-R229 PolarHBondContact O-N 3.23Å
42	D	97.4	Very high	84.6	Confident	58 Å²	58	41.5 Å²	41.5	31%	0.31	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.4	178.4	-70.7	-30.9	0	0	0	111.7	R229	D42-R229 VanDerWaalsContact CG-NH2 3.3Å; D42-R229 WeakPolarHBondContact OD1-CB 3.42Å; D42-R229 IonicContact OD1-CZ 3.47Å; D42-R229 VanDerWaalsContact OD1-CZ 3.23Å; D42-R229 IonicContact OD1-NE 2.96Å; D42-R229 PolarHBondContact OD1-NE 2.84Å; D42-R229 IonicContact OD1-NH2 3.64Å; D42-R229 PolarHBondContact OD1-NH2 2.98Å; D42-R229 IonicContact OD2-CZ 3.73Å; D42-R229 IonicContact OD2-NH2 2.71Å; D42-R229 PolarHBondContact OD2-NH2 3.17Å
43	H	97.9	Very high	87.4	Confident	31 Å²	31	39.8 Å²	39.8	14%	0.144	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.6	177.2	-60.8	-90.5	0	0	0	110.9	I41 F45 F199 H228 R229 F230 R231	I41-H43 VanDerWaalsContact CG2-NE2 3.27Å; I41-H43 WeakPolarHBondContact CG2-NE2 3.32Å; I41-H43 PolarHBondContact O-CD2 3.1Å; H43-F45 HydrophobicContact CB-CD2 4.08Å; H43-F45 HydrophobicContact CB-CE2 3.89Å; H43-F199 AromaticContact CE1-CE1 3.89Å; H43-F199 AromaticContact ND1-CZ 3.9Å; H43-H228 AromaticContact CD2-ND1 3.62Å; H43-H228 AromaticContact CE1-ND1 3.72Å; H43-H228 AromaticContact NE2-CE1 3.63Å; H43-H228 AromaticContact NE2-CG 3.77Å; H43-H228 AromaticContact NE2-ND1 2.82Å; H43-H228 PolarHBondContact NE2-ND1 3.09Å; H43-R229 PolarHBondContact N-O 2.91Å; H43-F230 HydrophobicContact CB-CD1 3.71Å; H43-F230 HydrophobicContact CB-CE1 4.13Å; H43-F230 HydrophobicContact CB-CG 4.39Å; H43-F230 AromaticContact CD2-CE1 3.76Å; H43-F230 AromaticContact CG-CD1 3.84Å; H43-F230 AromaticContact CG-CE1 3.74Å; H43-R231 WeakPolarHBondContact O-CB 3.41Å; H43-R231 PolarHBondContact O-N 2.99Å
44	S	97.6	Very high	90.2	Very high	54 Å²	54	34.4 Å²	34.4	38%	0.378	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.5	174.6	-169.6	0	0	0	0	110.6	K69 R231	S44-K69 PolarHBondContact O-NZ 2.88Å; S44-K69 VanDerWaalsContact O-NZ 3.09Å; S44-R231 PolarHBondContact OG-NH2 3.26Å
45	F	98.3	Very high	92.8	Very high	10 Å²	10	25 Å²	25	4%	0.044	16%	0.164	C	C	.	.			trans	-135.3	155.9	177.9	-74.4	-88.7	0	0	0	110	H43 A47 V48 K69 A71 T197 F199 F230 R231 S232	H43-F45 HydrophobicContact CB-CD2 4.08Å; H43-F45 HydrophobicContact CB-CE2 3.89Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-V48 HydrophobicContact CB-CG2 4.36Å; F45-K69 HydrophobicContact CD1-CB 4.49Å; F45-K69 HydrophobicContact CD1-CD 4.02Å; F45-K69 HydrophobicContact CD1-CG 3.74Å; F45-K69 HydrophobicContact CE1-CD 4.27Å; F45-K69 HydrophobicContact CE1-CG 4.03Å; F45-A71 HydrophobicContact CB-CB 4.44Å; F45-A71 HydrophobicContact CD1-CB 3.78Å; F45-A71 HydrophobicContact CD2-CB 3.71Å; F45-A71 HydrophobicContact CE1-CB 3.89Å; F45-A71 HydrophobicContact CE2-CB 3.8Å; F45-A71 HydrophobicContact CG-CB 3.71Å; F45-A71 HydrophobicContact CZ-CB 3.9Å; F45-T197 HydrophobicContact CZ-CG2 4.16Å; F45-F199 AromaticContact CE2-CE2 3.89Å; F45-F199 HydrophobicContact CE2-CE2 3.89Å; F45-F199 HydrophobicContact CE2-CZ 4.08Å; F45-F199 AromaticContact CZ-CE2 3.75Å; F45-F199 HydrophobicContact CZ-CE2 3.75Å; F45-F199 HydrophobicContact CZ-CZ 4.05Å; F45-F230 HydrophobicContact CD2-CD1 4.41Å; F45-F230 HydrophobicContact CE2-CD1 4.34Å; F45-R231 PolarHBondContact N-O 3.03Å; F45-R231 VanDerWaalsContact N-O 3.1Å; F45-S232 VanDerWaalsContact O-CA 3.31Å; F45-S232 WeakPolarHBondContact O-CA 3.33Å; F45-S232 WeakPolarHBondContact O-CB 3.37Å
46	D	98.3	Very high	94.8	Very high	25 Å²	25	24.2 Å²	24.2	13%	0.134	16%	0.16	C	C	.	.	S	Bend	trans	-71.8	-39.2	173.2	-57.5	-35.1	0	0	0	109.9	F68 K69 K233 N234 G463	D46-F68 HydrophobicContact CB-CB 4.19Å; D46-F68 HydrophobicContact CB-CD1 3.74Å; D46-F68 HydrophobicContact CB-CG 4.46Å; D46-K69 PolarHBondContact N-O 3.36Å; D46-K69 PolarHBondContact OD2-N 2.95Å; D46-K233 PolarHBondContact O-N 3.03Å; D46-N234 PolarHBondContact O-N 3.41Å; D46-G463 PolarHBondContact OD1-N 2.93Å; D46-G463 VanDerWaalsContact OD1-N 3.17Å; D46-G463 PolarHBondContact OD2-N 3.14Å
47	A	98.7	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.2	177	0	0	0	0	0	112.9	F45 L63 K69 T70 A71 N234	F45-A47 VanDerWaalsContact C-N 3.34Å; A47-L63 HydrophobicContact CB-CD1 3.81Å; A47-L63 HydrophobicContact CB-CD2 4.34Å; A47-K69 PolarHBondContact N-O 3.24Å; A47-T70 WeakPolarHBondContact O-CA 2.95Å; A47-A71 PolarHBondContact O-N 3.06Å; A47-N234 CarbonylContact C-O 3.58Å; A47-N234 WeakPolarHBondContact CA-O 3.39Å; A47-N234 HydrophobicContact CB-CB 4.48Å
48	V	98.9	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.4	172.4	169.7	0	0	0	0	109	F45 V50 A71 I73 V217 F230 S232 N234 T235 V236	F45-V48 HydrophobicContact CB-CG2 4.36Å; V48-V50 HydrophobicContact CG1-CG2 4.06Å; V48-A71 CarbonylContact C-O 3.25Å; V48-A71 WeakPolarHBondContact CA-O 3.17Å; V48-A71 HydrophobicContact CG2-CB 4.25Å; V48-I73 HydrophobicContact CG1-CD1 3.55Å; V48-I73 HydrophobicContact CG1-CG1 4.22Å; V48-V217 HydrophobicContact CG1-CG2 4.04Å; V48-F230 HydrophobicContact CG2-CB 3.84Å; V48-S232 WeakPolarHBondContact CG2-OG 3.45Å; V48-N234 PolarHBondContact N-O 3.25Å; V48-T235 CarbonylContact O-C 3.29Å; V48-T235 VanDerWaalsContact O-CA 3.29Å; V48-T235 WeakPolarHBondContact O-CA 3.43Å; V48-V236 PolarHBondContact O-N 3.19Å
49	V	99	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124	172	-179.8	0	0	0	0	108.8	G56 A59 L63 T70 A71 I72 I73 V236	V49-G56 WeakPolarHBondContact CG1-O 3.09Å; V49-A59 HydrophobicContact CG2-CB 4.38Å; V49-L63 HydrophobicContact CG2-CD1 3.86Å; V49-T70 HydrophobicContact CG2-CG2 4.22Å; V49-A71 PolarHBondContact N-O 2.7Å; V49-I72 HydrophobicContact CB-CG1 4.4Å; V49-I72 WeakPolarHBondContact O-CA 3.48Å; V49-I73 PolarHBondContact O-N 3.44Å; V49-V236 WeakPolarHBondContact CA-O 3.49Å; V49-V236 HydrophobicContact CG1-CB 4.42Å; V49-V236 HydrophobicContact CG2-CB 4.13Å; V49-V236 HydrophobicContact CG2-CG2 4.23Å
50	V	99	Very high	98.4	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.042	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.5	178.7	-174.4	0	0	0	0	109.9	V48 V204 V217 V236 L237 A238 T239 M262	V48-V50 HydrophobicContact CG1-CG2 4.06Å; V50-V204 HydrophobicContact CB-CG2 4.49Å; V50-V204 HydrophobicContact CG1-CB 3.93Å; V50-V204 HydrophobicContact CG1-CG1 4.37Å; V50-V204 HydrophobicContact CG1-CG2 3.5Å; V50-V204 VanDerWaalsContact CG1-CG2 3.5Å; V50-V204 HydrophobicContact CG2-CG2 4.2Å; V50-V217 HydrophobicContact CG2-CG1 3.98Å; V50-V217 HydrophobicContact CG2-CG2 4.22Å; V50-V236 PolarHBondContact N-O 2.82Å; V50-L237 HydrophobicContact CB-CD2 3.95Å; V50-L237 HydrophobicContact CG2-CD2 4.07Å; V50-A238 CarbonylContact O-C 3.52Å; V50-A238 WeakPolarHBondContact O-CA 3.37Å; V50-A238 PolarHBondContact O-N 2.9Å; V50-T239 HydrophobicContact CB-CG2 4.46Å; V50-T239 HydrophobicContact CG1-CG2 3.82Å; V50-M262 HydrophobicContact CG1-CE 4.3Å
51	G	98.9	Very high	98.5	Very high	10 Å²	10	11.9 Å²	11.9	10%	0.103	7%	0.071	C	C	.	.			trans	112.2	139	-174.8	0	0	0	0	0	111.7	G56 I73	G51-G56 VanDerWaalsContact O-CA 3.31Å; G51-G56 WeakPolarHBondContact O-CA 3.47Å; G51-I73 PolarHBondContact N-O 3.46Å
52	A	98.8	Very high	98.6	Very high	1 Å²	1	11 Å²	11	1%	0.008	7%	0.068	C	C	.	.			trans	-124.2	31.3	178.5	0	0	0	0	0	112.5	L57 I72 T74 P78 S81	A52-L57 HydrophobicContact CB-CD2 4.25Å; A52-L57 HydrophobicContact CB-CG 4.42Å; A52-L57 WeakPolarHBondContact O-CD1 3.48Å; A52-L57 WeakPolarHBondContact O-CG 3.38Å; A52-I72 HydrophobicContact CB-CG2 4.13Å; A52-T74 HydrophobicContact CB-CG2 3.7Å; A52-P78 HydrophobicContact CB-CB 3.8Å; A52-P78 HydrophobicContact CB-CG 3.86Å; A52-S81 VanDerWaalsContact C-OG 3.3Å; A52-S81 PolarHBondContact O-OG 3.4Å
53	G	98.8	Very high	98.6	Very high	9 Å²	9	8.3 Å²	8.3	9%	0.093	5%	0.053	C	C	.	.	S	Bend	trans	-70.8	-170.8	160.3	0	0	0	0	0	111.1	A55 G56 L57 S81	G53-A55 VanDerWaalsContact C-N 3.25Å; G53-A55 PolarHBondContact O-N 2.88Å; G53-G56 PolarHBondContact O-N 2.81Å; G53-L57 WeakPolarHBondContact O-CB 3.25Å; G53-L57 WeakPolarHBondContact O-CG 3.28Å; G53-L57 PolarHBondContact O-N 2.76Å; G53-S81 PolarHBondContact N-OG 3.41Å
54	G	98.7	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.5	-37.2	-176.2	0	0	0	0	0	113.8	R58 T83	G54-R58 VanDerWaalsContact O-CB 3.29Å; G54-R58 WeakPolarHBondContact O-CB 3.5Å; G54-R58 PolarHBondContact O-N 3.46Å; G54-T83 PolarHBondContact N-OG1 3.08Å; G54-T83 VanDerWaalsContact N-OG1 3.16Å
55	A	98.9	Very high	98.7	Very high	6 Å²	6	9 Å²	9	5%	0.05	6%	0.056	C	C	.	.	H	α-helix	trans	-75.3	-45.2	-173.8	0	0	0	0	0	110.2	G53 R58 A59 A238 A423 I445	G53-A55 VanDerWaalsContact C-N 3.25Å; G53-A55 PolarHBondContact O-N 2.88Å; A55-R58 PolarHBondContact O-N 2.83Å; A55-A59 WeakPolarHBondContact O-CB 3.47Å; A55-A59 PolarHBondContact O-N 3.28Å; A55-A238 HydrophobicContact CB-CB 4.18Å; A55-A423 HydrophobicContact CB-CB 4.24Å; A55-I445 WeakPolarHBondContact CA-O 3.43Å; A55-I445 HydrophobicContact CB-CB 4.2Å; A55-I445 HydrophobicContact CB-CG1 4.27Å; A55-I445 HydrophobicContact CB-CG2 3.91Å
56	G	98.9	Very high	98.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-41.1	176.9	0	0	0	0	0	112.7	V49 G51 G53 G60	V49-G56 WeakPolarHBondContact CG1-O 3.09Å; G51-G56 VanDerWaalsContact O-CA 3.31Å; G51-G56 WeakPolarHBondContact O-CA 3.47Å; G53-G56 PolarHBondContact O-N 2.81Å; G56-G60 PolarHBondContact O-N 3.08Å
57	L	98.9	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-47.8	172.8	-71.8	174.1	0	0	0	111.2	A52 G53 A59 G60 F61 P78 L184 L187 Y198	A52-L57 HydrophobicContact CB-CD2 4.25Å; A52-L57 HydrophobicContact CB-CG 4.42Å; A52-L57 WeakPolarHBondContact O-CD1 3.48Å; A52-L57 WeakPolarHBondContact O-CG 3.38Å; G53-L57 WeakPolarHBondContact O-CB 3.25Å; G53-L57 WeakPolarHBondContact O-CG 3.28Å; G53-L57 PolarHBondContact O-N 2.76Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 2.9Å; L57-G60 PolarHBondContact O-N 2.71Å; L57-F61 WeakPolarHBondContact O-CD1 3.21Å; L57-F61 PolarHBondContact O-N 2.9Å; L57-P78 HydrophobicContact CD1-CB 4.47Å; L57-P78 HydrophobicContact CD2-CB 4.39Å; L57-L184 HydrophobicContact CD1-CD1 3.7Å; L57-L187 HydrophobicContact CB-CB 4.17Å; L57-L187 HydrophobicContact CD1-CB 4.09Å; L57-Y198 HydrophobicContact CD2-CE1 4.01Å; L57-Y198 WeakPolarHBondContact CD2-OH 3.41Å
58	R	98.8	Very high	98.6	Very high	13 Å²	13	14.3 Å²	14.3	5%	0.049	9%	0.093	C	C	.	.	H	α-helix	trans	-63.5	-37.5	-179	-176	60.3	-169.9	88	-15.8	113	G54 A55 G62 E135 V446 R450	G54-R58 VanDerWaalsContact O-CB 3.29Å; G54-R58 WeakPolarHBondContact O-CB 3.5Å; G54-R58 PolarHBondContact O-N 3.46Å; A55-R58 PolarHBondContact O-N 2.83Å; R58-G62 PolarHBondContact O-N 3.39Å; R58-E135 IonicContact CZ-OE1 2.72Å; R58-E135 IonicContact CZ-OE2 3.41Å; R58-E135 VanDerWaalsContact CZ-OE2 3.3Å; R58-E135 IonicContact NE-OE2 3.27Å; R58-E135 PolarHBondContact NE-OE2 3.42Å; R58-E135 VanDerWaalsContact NH2-CD 3.29Å; R58-E135 IonicContact NH2-OE1 2.93Å; R58-E135 PolarHBondContact NH2-OE1 2.98Å; R58-E135 IonicContact NH2-OE2 2.92Å; R58-E135 PolarHBondContact NH2-OE2 3.41Å; R58-V446 HydrophobicContact CG-CB 4.47Å; R58-V446 WeakPolarHBondContact CG-O 3.04Å; R58-R450 HydrophobicContact CG-CB 4.11Å
59	A	98.9	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-49.3	172.8	0	0	0	0	0	111.4	V49 A55 L57 G62 L63 V236 G449	V49-A59 HydrophobicContact CG2-CB 4.38Å; A55-A59 WeakPolarHBondContact O-CB 3.47Å; A55-A59 PolarHBondContact O-N 3.28Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 2.9Å; A59-G62 WeakPolarHBondContact O-CA 3.44Å; A59-G62 PolarHBondContact O-N 3.03Å; A59-L63 WeakPolarHBondContact O-CG 3.22Å; A59-L63 PolarHBondContact O-N 3.28Å; A59-V236 HydrophobicContact CB-CG1 4.31Å; A59-G449 WeakPolarHBondContact CA-O 3.18Å; A59-G449 VanDerWaalsContact CB-O 3.31Å; A59-G449 WeakPolarHBondContact CB-O 3.34Å
60	G	98.7	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-51.5	-173.3	0	0	0	0	0	113.6	G56 L57 G62 L63 A64	G56-G60 PolarHBondContact O-N 3.08Å; L57-G60 PolarHBondContact O-N 2.71Å; G60-G62 VanDerWaalsContact C-N 3.29Å; G60-G62 PolarHBondContact O-N 2.96Å; G60-L63 PolarHBondContact O-N 3.05Å; G60-A64 PolarHBondContact O-N 3.47Å; G60-A64 VanDerWaalsContact O-N 3.11Å
61	F	98.3	Very high	98.6	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-74.1	-24.4	175.1	77.9	-110.6	0	0	0	112.4	L57 A64 N65 Y139 L187 R190 Y194	L57-F61 WeakPolarHBondContact O-CD1 3.21Å; L57-F61 PolarHBondContact O-N 2.9Å; F61-A64 PolarHBondContact O-N 2.98Å; F61-N65 VanDerWaalsContact O-CB 3.23Å; F61-N65 WeakPolarHBondContact O-CB 3.41Å; F61-N65 PolarHBondContact O-N 3.49Å; F61-Y139 HydrophobicContact CE2-CE2 4.09Å; F61-Y139 AromaticContact CZ-CE2 3.74Å; F61-Y139 HydrophobicContact CZ-CE2 3.74Å; F61-L187 HydrophobicContact CE1-CD2 3.78Å; F61-L187 HydrophobicContact CZ-CD2 4.01Å; F61-R190 HydrophobicContact CE1-CG 4.45Å; F61-R190 HydrophobicContact CE2-CG 4.34Å; F61-R190 HydrophobicContact CZ-CG 4.23Å; F61-Y194 HydrophobicContact CB-CD2 3.67Å; F61-Y194 HydrophobicContact CB-CE2 4.14Å; F61-Y194 HydrophobicContact CB-CG 4.26Å; F61-Y194 HydrophobicContact CD2-CD2 4.22Å; F61-Y194 AromaticContact CD2-CE2 3.78Å; F61-Y194 HydrophobicContact CD2-CE2 3.78Å; F61-Y194 HydrophobicContact CG-CD2 4.21Å; F61-Y194 HydrophobicContact CG-CE2 4.2Å
62	G	98.7	Very high	98.6	Very high	7 Å²	7	16.9 Å²	16.9	7%	0.072	10%	0.101	C	C	.	.	H	α-helix	trans	-60.5	-47.6	172.1	0	0	0	0	0	111.3	R58 A59 G60 N65 E66	R58-G62 PolarHBondContact O-N 3.39Å; A59-G62 WeakPolarHBondContact O-CA 3.44Å; A59-G62 PolarHBondContact O-N 3.03Å; G60-G62 VanDerWaalsContact C-N 3.29Å; G60-G62 PolarHBondContact O-N 2.96Å; G62-N65 WeakPolarHBondContact O-CB 3.46Å; G62-N65 PolarHBondContact O-N 2.83Å; G62-E66 WeakPolarHBondContact O-CG 3.19Å; G62-E66 PolarHBondContact O-N 2.92Å
63	L	98.8	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-45.2	175.3	-72.2	161.4	0	0	0	112.1	A47 V49 A59 G60 N65 E66 G67 F68 T70 V236 A453 I456	A47-L63 HydrophobicContact CB-CD1 3.81Å; A47-L63 HydrophobicContact CB-CD2 4.34Å; V49-L63 HydrophobicContact CG2-CD1 3.86Å; A59-L63 WeakPolarHBondContact O-CG 3.22Å; A59-L63 PolarHBondContact O-N 3.28Å; G60-L63 PolarHBondContact O-N 3.05Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 2.98Å; L63-E66 CarbonylContact O-C 3.16Å; L63-E66 PolarHBondContact O-N 3.43Å; L63-E66 VanDerWaalsContact O-N 3.13Å; L63-G67 PolarHBondContact O-N 3.13Å; L63-F68 HydrophobicContact CB-CB 4.31Å; L63-F68 HydrophobicContact CD2-CD2 4.43Å; L63-F68 HydrophobicContact CD2-CG 4.44Å; L63-F68 WeakPolarHBondContact O-CB 3.41Å; L63-F68 PolarHBondContact O-N 2.8Å; L63-F68 VanDerWaalsContact O-N 3.12Å; L63-T70 HydrophobicContact CB-CG2 4.1Å; L63-T70 WeakPolarHBondContact CB-OG1 3.11Å; L63-T70 HydrophobicContact CD1-CG2 4.18Å; L63-V236 HydrophobicContact CD1-CG2 4.43Å; L63-A453 HydrophobicContact CD2-CB 4.26Å; L63-A453 HydrophobicContact CG-CB 3.95Å; L63-I456 HydrophobicContact CD1-CD1 4.33Å; L63-I456 HydrophobicContact CD2-CB 3.79Å; L63-I456 HydrophobicContact CD2-CD1 3.89Å; L63-I456 HydrophobicContact CD2-CG1 4.44Å; L63-I456 HydrophobicContact CD2-CG2 3.55Å
64	A	98.4	Very high	98.6	Very high	15 Å²	15	16.7 Å²	16.7	12%	0.124	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-34.4	177.2	0	0	0	0	0	112.6	G60 F61 E66 G67 A196	G60-A64 PolarHBondContact O-N 3.47Å; G60-A64 VanDerWaalsContact O-N 3.11Å; F61-A64 PolarHBondContact O-N 2.98Å; A64-E66 VanDerWaalsContact C-N 3.29Å; A64-E66 PolarHBondContact O-N 3.35Å; A64-G67 PolarHBondContact O-N 3.04Å; A64-G67 VanDerWaalsContact O-N 3.08Å; A64-A196 HydrophobicContact CB-CB 4.06Å
65	N	97.5	Very high	98.6	Very high	84 Å²	84	18.4 Å²	18.4	45%	0.449	11%	0.105	S	C	.	.	H	α-helix	trans	-62.5	-36.3	173.6	-177.6	88.2	0	0	0	112.1	F61 G62 L63 G67 Y194	F61-N65 VanDerWaalsContact O-CB 3.23Å; F61-N65 WeakPolarHBondContact O-CB 3.41Å; F61-N65 PolarHBondContact O-N 3.49Å; G62-N65 WeakPolarHBondContact O-CB 3.46Å; G62-N65 PolarHBondContact O-N 2.83Å; L63-N65 VanDerWaalsContact C-N 3.29Å; L63-N65 PolarHBondContact O-N 2.98Å; N65-G67 PolarHBondContact O-N 3.2Å; N65-Y194 HydrophobicContact CB-CD1 4.04Å; N65-Y194 HydrophobicContact CB-CE1 3.55Å; N65-Y194 WeakPolarHBondContact OD1-CE1 3.42Å; N65-Y194 PolarHBondContact OD1-OH 3.27Å
66	E	97.9	Very high	98.6	Very high	90 Å²	90	20 Å²	20	42%	0.421	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.5	174.9	-59.4	-52.4	128.1	0	0	113.2	G62 L63 A64 F68 A457	G62-E66 WeakPolarHBondContact O-CG 3.19Å; G62-E66 PolarHBondContact O-N 2.92Å; L63-E66 CarbonylContact O-C 3.16Å; L63-E66 PolarHBondContact O-N 3.43Å; L63-E66 VanDerWaalsContact O-N 3.13Å; A64-E66 VanDerWaalsContact C-N 3.29Å; A64-E66 PolarHBondContact O-N 3.35Å; E66-F68 HydrophobicContact CB-CD2 3.84Å; E66-F68 HydrophobicContact CB-CE2 3.97Å; E66-A457 HydrophobicContact CB-CB 4.11Å; E66-A457 HydrophobicContact CG-CB 3.91Å
67	G	97.8	Very high	98.6	Very high	49 Å²	49	23.2 Å²	23.2	51%	0.505	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	1.5	175	0	0	0	0	0	115.4	L63 A64 N65 P462	L63-G67 PolarHBondContact O-N 3.13Å; A64-G67 PolarHBondContact O-N 3.04Å; A64-G67 VanDerWaalsContact O-N 3.08Å; N65-G67 PolarHBondContact O-N 3.2Å; G67-P462 WeakPolarHBondContact O-CB 3.49Å
68	F	98.5	Very high	98.6	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.035	13%	0.127	C	C	.	.			trans	-69.7	131.2	177.7	-70.5	-96.9	0	0	0	110.8	D46 L63 E66 T70 I456 A457 N460 P462	D46-F68 HydrophobicContact CB-CB 4.19Å; D46-F68 HydrophobicContact CB-CD1 3.74Å; D46-F68 HydrophobicContact CB-CG 4.46Å; L63-F68 HydrophobicContact CB-CB 4.31Å; L63-F68 HydrophobicContact CD2-CD2 4.43Å; L63-F68 HydrophobicContact CD2-CG 4.44Å; L63-F68 WeakPolarHBondContact O-CB 3.41Å; L63-F68 PolarHBondContact O-N 2.8Å; L63-F68 VanDerWaalsContact O-N 3.12Å; E66-F68 HydrophobicContact CB-CD2 3.84Å; E66-F68 HydrophobicContact CB-CE2 3.97Å; F68-T70 PolarHBondContact O-N 3.4Å; F68-T70 PolarHBondContact O-OG1 3Å; F68-I456 HydrophobicContact CD1-CG2 4.42Å; F68-I456 HydrophobicContact CE1-CG2 4.04Å; F68-I456 HydrophobicContact CZ-CG2 4.18Å; F68-A457 HydrophobicContact CE2-CB 3.86Å; F68-A457 HydrophobicContact CZ-CB 4.43Å; F68-N460 HydrophobicContact CE1-CB 3.91Å; F68-N460 HydrophobicContact CZ-CB 4.2Å; F68-P462 HydrophobicContact CD1-CG 4.37Å; F68-P462 HydrophobicContact CD2-CG 4.01Å; F68-P462 HydrophobicContact CE1-CG 4.42Å; F68-P462 HydrophobicContact CE2-CG 4.07Å; F68-P462 HydrophobicContact CG-CG 4.16Å; F68-P462 HydrophobicContact CZ-CG 4.27Å
69	K	98.5	Very high	98.6	Very high	71 Å²	71	23 Å²	23	31%	0.309	13%	0.127	S	C	.	.			trans	-65.8	105.1	168.7	-166.2	-166.1	179.5	-169.3	0	108.1	S44 F45 D46 A47	S44-K69 PolarHBondContact O-NZ 2.88Å; S44-K69 VanDerWaalsContact O-NZ 3.09Å; F45-K69 HydrophobicContact CD1-CB 4.49Å; F45-K69 HydrophobicContact CD1-CD 4.02Å; F45-K69 HydrophobicContact CD1-CG 3.74Å; F45-K69 HydrophobicContact CE1-CD 4.27Å; F45-K69 HydrophobicContact CE1-CG 4.03Å; D46-K69 PolarHBondContact N-O 3.36Å; D46-K69 PolarHBondContact OD2-N 2.95Å; A47-K69 PolarHBondContact N-O 3.24Å
70	T	98.8	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129	-167.6	-56	0	0	0	0	111.5	A47 V49 L63 F68 I72 T197	A47-T70 WeakPolarHBondContact O-CA 2.95Å; V49-T70 HydrophobicContact CG2-CG2 4.22Å; L63-T70 HydrophobicContact CB-CG2 4.1Å; L63-T70 WeakPolarHBondContact CB-OG1 3.11Å; L63-T70 HydrophobicContact CD1-CG2 4.18Å; F68-T70 PolarHBondContact O-N 3.4Å; F68-T70 PolarHBondContact O-OG1 3Å; T70-I72 HydrophobicContact CG2-CG1 4.47Å; T70-T197 PolarHBondContact O-N 3.18Å
71	A	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.4	168.1	0	0	0	0	0	110.5	F45 A47 V48 V49 T197 F199 F230	F45-A71 HydrophobicContact CB-CB 4.44Å; F45-A71 HydrophobicContact CD1-CB 3.78Å; F45-A71 HydrophobicContact CD2-CB 3.71Å; F45-A71 HydrophobicContact CE1-CB 3.89Å; F45-A71 HydrophobicContact CE2-CB 3.8Å; F45-A71 HydrophobicContact CG-CB 3.71Å; F45-A71 HydrophobicContact CZ-CB 3.9Å; A47-A71 PolarHBondContact O-N 3.06Å; V48-A71 CarbonylContact C-O 3.25Å; V48-A71 WeakPolarHBondContact CA-O 3.17Å; V48-A71 HydrophobicContact CG2-CB 4.25Å; V49-A71 PolarHBondContact N-O 2.7Å; A71-T197 CarbonylContact C-O 3.55Å; A71-T197 WeakPolarHBondContact CA-O 3.5Å; A71-F199 HydrophobicContact CB-CD2 4.08Å; A71-F199 HydrophobicContact CB-CE2 3.92Å; A71-F230 HydrophobicContact CB-CD1 4.49Å
72	I	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.1	171.6	-58	171.5	0	0	0	107.8	V49 A52 T70 A196 T197 Y198 F199	V49-I72 HydrophobicContact CB-CG1 4.4Å; V49-I72 WeakPolarHBondContact O-CA 3.48Å; A52-I72 HydrophobicContact CB-CG2 4.13Å; T70-I72 HydrophobicContact CG2-CG1 4.47Å; I72-A196 HydrophobicContact CD1-CB 3.75Å; I72-A196 HydrophobicContact CG1-CB 4.34Å; I72-T197 PolarHBondContact N-O 3.5Å; I72-Y198 HydrophobicContact CB-CD1 4.01Å; I72-Y198 HydrophobicContact CB-CE1 3.96Å; I72-Y198 HydrophobicContact CD1-CE1 3.86Å; I72-Y198 HydrophobicContact CD1-CE2 4.1Å; I72-Y198 WeakPolarHBondContact CD1-OH 3.31Å; I72-Y198 HydrophobicContact CG2-CD1 4.07Å; I72-Y198 HydrophobicContact CG2-CE1 3.8Å; I72-Y198 WeakPolarHBondContact O-CA 3.45Å; I72-F199 PolarHBondContact O-N 3.11Å
73	I	98.9	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128	-175.9	-48.1	173.3	0	0	0	108.4	V48 V49 G51 F199 Y202 V204 V217 F230	V48-I73 HydrophobicContact CG1-CD1 3.55Å; V48-I73 HydrophobicContact CG1-CG1 4.22Å; V49-I73 PolarHBondContact O-N 3.44Å; G51-I73 PolarHBondContact N-O 3.46Å; I73-F199 HydrophobicContact CB-CB 4.46Å; I73-F199 HydrophobicContact CG1-CB 4.25Å; I73-F199 HydrophobicContact CG1-CD2 4.42Å; I73-F199 HydrophobicContact CG2-CB 4.26Å; I73-Y202 HydrophobicContact CG2-CG 4.44Å; I73-V204 HydrophobicContact CB-CG2 4.28Å; I73-V204 HydrophobicContact CG2-CG2 3.65Å; I73-V217 HydrophobicContact CD1-CG2 3.73Å; I73-F230 HydrophobicContact CD1-CB 4.02Å; I73-F230 HydrophobicContact CD1-CD1 3.82Å; I73-F230 HydrophobicContact CD1-CD2 3.44Å; I73-F230 VanDerWaalsContact CD1-CD2 3.44Å; I73-F230 HydrophobicContact CD1-CE1 4.09Å; I73-F230 HydrophobicContact CD1-CE2 3.71Å; I73-F230 HydrophobicContact CD1-CG 3.48Å; I73-F230 VanDerWaalsContact CD1-CG 3.48Å; I73-F230 HydrophobicContact CD1-CZ 4.03Å; I73-F230 HydrophobicContact CG1-CD1 4.5Å; I73-F230 HydrophobicContact CG1-CE1 4.43Å; I73-F230 HydrophobicContact CG1-CE2 4.49Å; I73-F230 HydrophobicContact CG1-CZ 4.41Å
74	T	98.9	Very high	98.6	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.3	-177	174.8	0	0	0	0	111.7	A52 L76 P78 F199 I200 E201 Y202	A52-T74 HydrophobicContact CB-CG2 3.7Å; T74-L76 WeakPolarHBondContact CB-O 3.33Å; T74-L76 WeakPolarHBondContact CG2-O 3.25Å; T74-L76 PolarHBondContact O-N 2.87Å; T74-L76 PolarHBondContact OG1-N 3.01Å; T74-L76 PolarHBondContact OG1-O 2.99Å; T74-P78 HydrophobicContact CG2-CG 4.36Å; T74-F199 PolarHBondContact N-O 3.47Å; T74-I200 HydrophobicContact CG2-CG1 4.42Å; T74-I200 CarbonylContact O-C 3.57Å; T74-E201 WeakPolarHBondContact O-CA 3.38Å; T74-E201 PolarHBondContact O-N 2.81Å; T74-Y202 CarbonylContact C-O 3.33Å; T74-Y202 VanDerWaalsContact C-O 3.26Å; T74-Y202 PolarHBondContact O-N 3.46Å
75	K	98.8	Very high	98.6	Very high	35 Å²	35	38 Å²	38	15%	0.152	20%	0.198	C	C	.	.	S	Bend	trans	-73.1	-10.6	176.8	75.8	179.5	-178.2	177.3	0	113.7	Y202 F203 T254 T256 D258 E553	K75-Y202 VanDerWaalsContact CA-O 3.27Å; K75-Y202 WeakPolarHBondContact CA-O 3.35Å; K75-Y202 PolarHBondContact N-O 2.88Å; K75-F203 HydrophobicContact CB-CD2 4.19Å; K75-F203 HydrophobicContact CD-CD2 3.96Å; K75-F203 HydrophobicContact CD-CE2 4.04Å; K75-T254 WeakPolarHBondContact CE-O 3.46Å; K75-T254 PolarHBondContact NZ-O 3.33Å; K75-T256 PolarHBondContact NZ-OG1 2.96Å; K75-D258 WeakPolarHBondContact CE-OD2 3.16Å; K75-D258 IonicContact NZ-OD1 2.82Å; K75-D258 IonicContact NZ-OD2 3.73Å; K75-D258 PolarHBondContact NZ-OD2 3.19Å; K75-E553 IonicContact NZ-OE1 3.3Å; K75-E553 PolarHBondContact NZ-OE1 2.82Å
76	L	98.8	Very high	98.6	Very high	39 Å²	39	35.3 Å²	35.3	20%	0.204	19%	0.188	C	C	.	.	S	Bend	trans	-126.9	155.7	177.4	-53.2	175	0	0	0	110.2	T74 R80 T254	T74-L76 WeakPolarHBondContact CB-O 3.33Å; T74-L76 WeakPolarHBondContact CG2-O 3.25Å; T74-L76 PolarHBondContact O-N 2.87Å; T74-L76 PolarHBondContact OG1-N 3.01Å; T74-L76 PolarHBondContact OG1-O 2.99Å; L76-R80 HydrophobicContact CB-CB 4.16Å; L76-R80 HydrophobicContact CD1-CB 4.35Å; L76-T254 HydrophobicContact CD1-CG2 3.86Å; L76-T254 HydrophobicContact CD2-CG2 3.7Å; L76-T254 HydrophobicContact CG-CG2 4.3Å
77	F	98.8	Very high	98.6	Very high	69 Å²	69	32.4 Å²	32.4	30%	0.303	17%	0.174	S	C	.	.			trans	-52.5	131.3	158.3	-175.2	-93.3	0	0	0	110.1	T79 R80 Y188 I200	F77-T79 VanDerWaalsContact C-N 3.31Å; F77-T79 WeakPolarHBondContact CD1-OG1 3.5Å; F77-T79 HydrophobicContact CE1-CG2 4.04Å; F77-T79 VanDerWaalsContact CE1-OG1 3.28Å; F77-T79 WeakPolarHBondContact CE1-OG1 3.38Å; F77-T79 PolarHBondContact O-N 2.85Å; F77-R80 HydrophobicContact CB-CG 4.07Å; F77-R80 HydrophobicContact CD1-CG 4.49Å; F77-R80 VanDerWaalsContact O-CB 3.3Å; F77-R80 WeakPolarHBondContact O-CB 2.95Å; F77-R80 WeakPolarHBondContact O-CG 3.44Å; F77-R80 PolarHBondContact O-N 2.87Å; F77-Y188 HydrophobicContact CE1-CE1 4.19Å; F77-Y188 AromaticContact CZ-CE1 3.7Å; F77-Y188 HydrophobicContact CZ-CE1 3.7Å; F77-Y188 HydrophobicContact CZ-CE2 4.32Å; F77-Y188 AromaticContact CZ-CZ 3.52Å; F77-Y188 VanDerWaalsContact CZ-OH 3.31Å; F77-Y188 WeakPolarHBondContact CZ-OH 3.46Å; F77-I200 HydrophobicContact CB-CG2 4.32Å; F77-I200 HydrophobicContact CD2-CD1 4.11Å; F77-I200 HydrophobicContact CD2-CG2 4.25Å; F77-I200 HydrophobicContact CE2-CD1 4.25Å
78	P	98.8	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-48.5	-44.6	-166.1	-34.2	36.9	0	0	0	115.6	A52 L57 T74 R80 S81 Y188 Y198	A52-P78 HydrophobicContact CB-CB 3.8Å; A52-P78 HydrophobicContact CB-CG 3.86Å; L57-P78 HydrophobicContact CD1-CB 4.47Å; L57-P78 HydrophobicContact CD2-CB 4.39Å; T74-P78 HydrophobicContact CG2-CG 4.36Å; P78-R80 PolarHBondContact O-N 2.95Å; P78-R80 VanDerWaalsContact O-N 3.11Å; P78-S81 VanDerWaalsContact O-CB 3.28Å; P78-S81 WeakPolarHBondContact O-CB 3.34Å; P78-S81 PolarHBondContact O-N 2.7Å; P78-S81 VanDerWaalsContact O-N 3.1Å; P78-S81 PolarHBondContact O-OG 2.84Å; P78-Y188 HydrophobicContact CB-CD2 3.72Å; P78-Y188 HydrophobicContact CB-CE2 4.09Å; P78-Y188 HydrophobicContact CB-CG 4.43Å; P78-Y188 HydrophobicContact CG-CD2 3.94Å; P78-Y188 HydrophobicContact CG-CE2 3.82Å; P78-Y198 HydrophobicContact CG-CD1 4.29Å; P78-Y198 HydrophobicContact CG-CE1 4.13Å
79	T	98.7	Very high	98.4	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.049	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-75.9	4.2	-177.4	70.2	0	0	0	0	114.4	F77 Y188	F77-T79 VanDerWaalsContact C-N 3.31Å; F77-T79 WeakPolarHBondContact CD1-OG1 3.5Å; F77-T79 HydrophobicContact CE1-CG2 4.04Å; F77-T79 VanDerWaalsContact CE1-OG1 3.28Å; F77-T79 WeakPolarHBondContact CE1-OG1 3.38Å; F77-T79 PolarHBondContact O-N 2.85Å; T79-Y188 HydrophobicContact CG2-CD1 3.7Å; T79-Y188 HydrophobicContact CG2-CE1 4.48Å; T79-Y188 HydrophobicContact CG2-CG 3.83Å
80	R	98.7	Very high	98.5	Very high	176 Å²	176	26.9 Å²	26.9	66%	0.664	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-95.9	-5.5	170.2	-50.8	-57	-178.7	-171.8	0.9	112.7	L76 F77 P78	L76-R80 HydrophobicContact CB-CB 4.16Å; L76-R80 HydrophobicContact CD1-CB 4.35Å; F77-R80 HydrophobicContact CB-CG 4.07Å; F77-R80 HydrophobicContact CD1-CG 4.49Å; F77-R80 VanDerWaalsContact O-CB 3.3Å; F77-R80 WeakPolarHBondContact O-CB 2.95Å; F77-R80 WeakPolarHBondContact O-CG 3.44Å; F77-R80 PolarHBondContact O-N 2.87Å; P78-R80 PolarHBondContact O-N 2.95Å; P78-R80 VanDerWaalsContact O-N 3.11Å
81	S	98.8	Very high	98.5	Very high	13 Å²	13	26.9 Å²	26.9	9%	0.091	14%	0.14	C	C	.	.	S	Bend	trans	-59.6	147.6	174.3	-56.1	0	0	0	0	111.4	A52 G53 P78 T83 V84	A52-S81 VanDerWaalsContact C-OG 3.3Å; A52-S81 PolarHBondContact O-OG 3.4Å; G53-S81 PolarHBondContact N-OG 3.41Å; P78-S81 VanDerWaalsContact O-CB 3.28Å; P78-S81 WeakPolarHBondContact O-CB 3.34Å; P78-S81 PolarHBondContact O-N 2.7Å; P78-S81 VanDerWaalsContact O-N 3.1Å; P78-S81 PolarHBondContact O-OG 2.84Å; S81-T83 PolarHBondContact O-N 3.11Å; S81-V84 WeakPolarHBondContact O-CB 3.43Å; S81-V84 VanDerWaalsContact O-CG1 3.24Å; S81-V84 WeakPolarHBondContact O-CG1 3.23Å; S81-V84 PolarHBondContact O-N 3.17Å
82	H	98.8	Very high	98.5	Very high	44 Å²	44	26.9 Å²	26.9	20%	0.204	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-60.3	-21.1	-172.8	-168	53.2	0	0	0	114.5	V84 A85 T250 A252	H82-V84 PolarHBondContact O-N 2.65Å; H82-A85 WeakPolarHBondContact O-CB 3.38Å; H82-A85 PolarHBondContact O-N 2.9Å; H82-T250 PolarHBondContact CE1-O 2.82Å; H82-A252 HydrophobicContact CB-CB 4.32Å; H82-A252 PolarHBondContact CE1-N 2.8Å; H82-A252 PolarHBondContact ND1-N 3.38Å
83	T	98.7	Very high	98.5	Very high	20 Å²	20	27.5 Å²	27.5	12%	0.123	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-48.3	-33.1	168.8	-55.1	0	0	0	0	112.4	G54 S81 A85 A86 G180 L183 L184 L442	G54-T83 PolarHBondContact N-OG1 3.08Å; G54-T83 VanDerWaalsContact N-OG1 3.16Å; S81-T83 PolarHBondContact O-N 3.11Å; T83-A85 PolarHBondContact O-N 3.04Å; T83-A85 VanDerWaalsContact O-N 3.15Å; T83-A86 PolarHBondContact O-N 3Å; T83-A86 VanDerWaalsContact O-N 3.14Å; T83-G180 CarbonylContact O-C 3.52Å; T83-G180 VanDerWaalsContact O-C 3.29Å; T83-G180 WeakPolarHBondContact O-CA 3.29Å; T83-L183 HydrophobicContact CG2-CD2 4.09Å; T83-L184 HydrophobicContact CG2-CB 4.16Å; T83-L184 HydrophobicContact CG2-CD1 4.18Å; T83-L442 HydrophobicContact CG2-CD2 3.9Å
84	V	98.5	Very high	98.5	Very high	41 Å²	41	29.2 Å²	29.2	25%	0.248	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-59.4	-27.1	179.1	79.1	0	0	0	0	112.9	S81 H82 H181 L184	S81-V84 WeakPolarHBondContact O-CB 3.43Å; S81-V84 VanDerWaalsContact O-CG1 3.24Å; S81-V84 WeakPolarHBondContact O-CG1 3.23Å; S81-V84 PolarHBondContact O-N 3.17Å; H82-V84 PolarHBondContact O-N 2.65Å; V84-H181 HydrophobicContact CG2-CB 4.2Å; V84-H181 WeakPolarHBondContact O-CA 3.38Å; V84-H181 WeakPolarHBondContact O-CB 3.42Å; V84-H181 PolarHBondContact O-N 3.33Å; V84-H181 VanDerWaalsContact O-N 3.11Å; V84-L184 HydrophobicContact CB-CD2 3.68Å; V84-L184 HydrophobicContact CG2-CD2 4.3Å
85	A	98.3	Very high	98.4	Very high	44 Å²	44	30.2 Å²	30.2	36%	0.364	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-91	-3.2	-176.4	0	0	0	0	0	113.3	H82 T83 Q87	H82-A85 WeakPolarHBondContact O-CB 3.38Å; H82-A85 PolarHBondContact O-N 2.9Å; T83-A85 PolarHBondContact O-N 3.04Å; T83-A85 VanDerWaalsContact O-N 3.15Å; A85-Q87 PolarHBondContact O-N 2.97Å
86	A	97.5	Very high	98.4	Very high	28 Å²	28	29.9 Å²	29.9	23%	0.231	17%	0.165	C	C	.	.			trans	-68	135.6	175.9	0	0	0	0	0	110.5	T83 G180 L442	T83-A86 PolarHBondContact O-N 3Å; T83-A86 VanDerWaalsContact O-N 3.14Å; A86-G180 WeakPolarHBondContact O-CA 3.31Å; A86-G180 PolarHBondContact O-N 3.05Å; A86-L442 HydrophobicContact CB-CD1 3.97Å; A86-L442 HydrophobicContact CB-CD2 3.87Å; A86-L442 HydrophobicContact CB-CG 4.11Å
87	Q	97.8	Very high	98.4	Very high	29 Å²	29	31.6 Å²	31.6	14%	0.136	17%	0.173	C	C	.	.			trans	-109.8	-64.4	-169.5	-65.4	173.8	7.8	0	0	112.1	A85 G89 D177 T179 L289 T291 I366	A85-Q87 PolarHBondContact O-N 2.97Å; Q87-G89 PolarHBondContact O-N 3.12Å; Q87-D177 WeakPolarHBondContact CA-O 3.35Å; Q87-D177 WeakPolarHBondContact CB-O 3.27Å; Q87-D177 WeakPolarHBondContact CG-O 3.25Å; Q87-D177 CarbonylContact O-C 3.55Å; Q87-T179 WeakPolarHBondContact O-CB 3.36Å; Q87-T179 PolarHBondContact O-N 3.38Å; Q87-T179 PolarHBondContact O-OG1 3.04Å; Q87-L289 HydrophobicContact CB-CD2 4.47Å; Q87-L289 HydrophobicContact CG-CD2 4.21Å; Q87-L289 PolarHBondContact NE2-O 3.38Å; Q87-L289 PolarHBondContact OE1-O 3.41Å; Q87-T291 VanDerWaalsContact OE1-CB 3.24Å; Q87-I366 VanDerWaalsContact OE1-CG2 3.24Å
88	G	95	Very high	98.4	Very high	8 Å²	8	30.4 Å²	30.4	8%	0.082	17%	0.168	C	C	.	.	S	Bend	trans	-61.1	-38.2	-158.5	0	0	0	0	0	117.5	C172 T291	G88-C172 PolarHBondContact O-SG 3.3Å; G88-T291 WeakPolarHBondContact CA-OG1 3.47Å; G88-T291 PolarHBondContact N-OG1 2.93Å
89	G	98.5	Very high	98.3	Very high	4 Å²	4	36.3 Å²	36.3	4%	0.041	21%	0.207	C	C	.	.			trans	151.2	-170.4	179	0	0	0	0	0	114.7	Q87 C172 C173 A439	Q87-G89 PolarHBondContact O-N 3.12Å; G89-C172 VanDerWaalsContact CA-SG 3.52Å; G89-C173 CarbonylContact C-O 3.58Å; G89-C173 WeakPolarHBondContact CA-O 3.47Å; G89-A439 VanDerWaalsContact C-CB 3.47Å; G89-A439 WeakPolarHBondContact O-CA 3.06Å; G89-A439 WeakPolarHBondContact O-CB 3.16Å
90	I	98.9	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.6	175.5	-179.9	169.3	0	0	0	108.9	V133 L136 F143 C173 T179 L183 L442 L443 V446	I90-V133 HydrophobicContact CD1-CG2 3.89Å; I90-V133 HydrophobicContact CG1-CG2 3.95Å; I90-V133 HydrophobicContact CG2-CG2 4.06Å; I90-L136 HydrophobicContact CD1-CD1 3.88Å; I90-F143 HydrophobicContact CG2-CE1 3.91Å; I90-F143 HydrophobicContact CG2-CZ 4.02Å; I90-C173 HydrophobicContact CG2-CB 3.98Å; I90-C173 PolarHBondContact N-O 3.47Å; I90-C173 VanDerWaalsContact O-CB 3.3Å; I90-C173 WeakPolarHBondContact O-CB 3.34Å; I90-C173 PolarHBondContact O-N 2.92Å; I90-T179 HydrophobicContact CG2-CG2 4.43Å; I90-L183 HydrophobicContact CD1-CD1 4.37Å; I90-L442 HydrophobicContact CB-CB 4Å; I90-L442 HydrophobicContact CD1-CB 4.24Å; I90-L442 HydrophobicContact CG1-CB 4.16Å; I90-L443 HydrophobicContact CD1-CB 4.31Å; I90-L443 HydrophobicContact CG1-CB 3.92Å; I90-V446 HydrophobicContact CD1-CG2 3.97Å
91	N	98.9	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.9	-177.8	-65.6	-35.7	0	0	0	111.7	Q159 R171 C172 G438 A439 N440	N91-Q159 PolarHBondContact ND2-NE2 3.12Å; N91-Q159 PolarHBondContact OD1-NE2 3.11Å; N91-R171 WeakPolarHBondContact CA-O 3.28Å; N91-R171 HydrophobicContact CB-CG 4.48Å; N91-C172 WeakPolarHBondContact OD1-CA 3.42Å; N91-C172 WeakPolarHBondContact OD1-CB 3.46Å; N91-G438 PolarHBondContact ND2-O 3.01Å; N91-A439 PolarHBondContact N-O 3.49Å; N91-A439 VanDerWaalsContact OD1-CB 3.3Å; N91-A439 WeakPolarHBondContact OD1-CB 3.39Å; N91-N440 PolarHBondContact ND2-N 3.36Å; N91-N440 PolarHBondContact ND2-OD1 3.27Å
92	A	98.9	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.			trans	-158.4	134.7	163.8	0	0	0	0	0	109.6	L94 A129 V133 Q153 R171	A92-L94 HydrophobicContact CB-CD2 4.03Å; A92-L94 HydrophobicContact CB-CG 3.98Å; A92-L94 PolarHBondContact O-N 3.44Å; A92-A129 HydrophobicContact CB-CB 4.01Å; A92-V133 HydrophobicContact CB-CB 3.95Å; A92-V133 HydrophobicContact CB-CG2 3.53Å; A92-Q153 PolarHBondContact O-NE2 3.02Å; A92-R171 PolarHBondContact N-O 3.01Å; A92-R171 VanDerWaalsContact N-O 3.08Å
93	A	98.8	Very high	98.3	Very high	13 Å²	13	34 Å²	34	11%	0.107	20%	0.198	C	C	.	.			trans	-73.9	66.7	175.3	0	0	0	0	0	111.2	G95 D100 W102	A93-G95 VanDerWaalsContact C-N 3.32Å; A93-D100 WeakPolarHBondContact CA-OD2 3.29Å; A93-D100 HydrophobicContact CB-CB 4.18Å; A93-D100 WeakPolarHBondContact CB-OD2 3.44Å; A93-W102 HydrophobicContact CB-CB 4.3Å
94	L	98.8	Very high	98.3	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.188	20%	0.2	C	C	.	.			trans	-75.6	-22.3	177.8	-58.8	-176.9	0	0	0	112.6	A92 P130 V133 I134 I151	A92-L94 HydrophobicContact CB-CD2 4.03Å; A92-L94 HydrophobicContact CB-CG 3.98Å; A92-L94 PolarHBondContact O-N 3.44Å; L94-P130 HydrophobicContact CD2-CB 3.92Å; L94-V133 HydrophobicContact CD1-CG1 4.04Å; L94-I134 HydrophobicContact CD2-CD1 4.42Å; L94-I134 HydrophobicContact CD2-CG1 4.31Å; L94-I151 HydrophobicContact CD1-CB 4.24Å; L94-I151 HydrophobicContact CD1-CD1 3.93Å; L94-I151 HydrophobicContact CD1-CG2 4.38Å
95	G	98.5	Very high	98.3	Very high	28 Å²	28	32.7 Å²	32.7	29%	0.289	19%	0.188	S	C	.	.			trans	65.8	34.2	-177.7	0	0	0	0	0	113.8	A93 E98	A93-G95 VanDerWaalsContact C-N 3.32Å; G95-E98 CarbonylContact C-O 3.57Å; G95-E98 WeakPolarHBondContact CA-O 3.44Å
96	N	98.6	Very high	98.3	Very high	28 Å²	28	30.7 Å²	30.7	15%	0.15	17%	0.171	C	C	.	.	S	Bend	trans	-83.3	-24.7	-177.5	-64.5	-23.8	0	0	0	113.4	L146 K150 I151 Q153	N96-L146 HydrophobicContact CB-CD1 4.03Å; N96-L146 WeakPolarHBondContact O-CD1 3.47Å; N96-K150 HydrophobicContact CB-CB 4.31Å; N96-K150 HydrophobicContact CB-CD 4.45Å; N96-K150 WeakPolarHBondContact OD1-CD 3.36Å; N96-I151 WeakPolarHBondContact CB-O 3.34Å; N96-I151 PolarHBondContact ND2-O 3.29Å; N96-Q153 HydrophobicContact CB-CG 4.48Å; N96-Q153 VanDerWaalsContact CB-OE1 3.31Å
97	M	98.1	Very high	98.4	Very high	75 Å²	75	30.1 Å²	30.1	37%	0.369	16%	0.163	S	C	.	.	S	Bend	trans	-97.4	-45.8	-179.6	-55.7	-59.3	-66.2	0	0	111.6	L146 Y152 Q153 H170	M97-L146 HydrophobicContact CE-CD2 4.06Å; M97-L146 HydrophobicContact SD-CD1 3.65Å; M97-L146 HydrophobicContact SD-CD2 3.52Å; M97-L146 VanDerWaalsContact SD-CD2 3.52Å; M97-L146 HydrophobicContact SD-CG 4.08Å; M97-Y152 HydrophobicContact CE-CD2 4.5Å; M97-Y152 HydrophobicContact CE-CE2 4.36Å; M97-Y152 HydrophobicContact SD-CD2 4.42Å; M97-Q153 HydrophobicContact CG-CB 3.72Å; M97-Q153 HydrophobicContact CG-CG 4.39Å; M97-Q153 WeakPolarHBondContact CG-O 3.24Å; M97-Q153 HydrophobicContact SD-CB 4.48Å; M97-H170 HydrophobicContact CB-CB 3.81Å; M97-H170 HydrophobicContact CG-CB 3.73Å
98	E	98	Very high	98.4	Very high	43 Å²	43	28.9 Å²	28.9	20%	0.201	16%	0.157	C	C	.	.	S	Bend	trans	-146.2	163	174.8	64	-84.3	161.1	0	0	109.2	G95 D100 I161 H170	G95-E98 CarbonylContact C-O 3.57Å; G95-E98 WeakPolarHBondContact CA-O 3.44Å; E98-D100 PolarHBondContact O-N 2.65Å; E98-I161 HydrophobicContact CG-CG2 4.48Å; E98-H170 WeakPolarHBondContact OE1-CA 3.35Å; E98-H170 WeakPolarHBondContact OE1-CB 3.45Å; E98-H170 IonicContact OE1-CG 3.52Å; E98-H170 PolarHBondContact OE1-N 3.3Å; E98-H170 IonicContact OE1-ND1 3.7Å; E98-H170 PolarHBondContact OE1-ND1 3.42Å; E98-H170 IonicContact OE2-CE1 3.88Å; E98-H170 IonicContact OE2-CG 3.71Å; E98-H170 IonicContact OE2-ND1 3.35Å; E98-H170 PolarHBondContact OE2-ND1 3.34Å
99	P	97.9	Very high	98.6	Very high	124 Å²	124	28.6 Å²	28.6	81%	0.805	15%	0.154	S	C	*	.			trans	-53.8	125.5	169.8	-25	35.1	0	0	0	111.1
100	D	98.5	Very high	98.6	Very high	29 Å²	29	28.4 Å²	28.4	16%	0.155	15%	0.152	C	C	.	.			trans	-133.9	162.3	-179.4	-163.2	15	0	0	0	110.2	A93 E98 R171	A93-D100 WeakPolarHBondContact CA-OD2 3.29Å; A93-D100 HydrophobicContact CB-CB 4.18Å; A93-D100 WeakPolarHBondContact CB-OD2 3.44Å; E98-D100 PolarHBondContact O-N 2.65Å; D100-R171 IonicContact OD1-CZ 3.53Å; D100-R171 IonicContact OD1-NE 2.76Å; D100-R171 IonicContact OD1-NH2 3.86Å; D100-R171 PolarHBondContact OD1-NH2 3.35Å; D100-R171 WeakPolarHBondContact OD2-CB 3.49Å; D100-R171 IonicContact OD2-CZ 2.63Å; D100-R171 IonicContact OD2-NE 3.68Å; D100-R171 PolarHBondContact OD2-NE 3.38Å; D100-R171 IonicContact OD2-NH2 2.77Å; D100-R171 PolarHBondContact OD2-NH2 3.18Å
101	D	98.6	Very high	98.6	Very high	35 Å²	35	29.9 Å²	29.9	19%	0.187	16%	0.158	C	C	.	.			trans	-139.2	135.7	-179.7	-163.5	-68.1	0	0	0	110.2	R103 F104 H105	D101-R103 PolarHBondContact O-N 3.01Å; D101-R103 VanDerWaalsContact O-N 3.13Å; D101-R103 WeakPolarHBondContact OD1-CB 3.46Å; D101-R103 VanDerWaalsContact OD1-CG 3.27Å; D101-R103 WeakPolarHBondContact OD1-CG 3.45Å; D101-R103 IonicContact OD1-CZ 2.85Å; D101-R103 PolarHBondContact OD1-N 3.06Å; D101-R103 IonicContact OD1-NE 2.9Å; D101-R103 PolarHBondContact OD1-NE 2.94Å; D101-R103 IonicContact OD1-NH2 3Å; D101-R103 IonicContact OD2-CZ 3.85Å; D101-R103 IonicContact OD2-NE 3.81Å; D101-R103 PolarHBondContact OD2-NE 3.24Å; D101-R103 IonicContact OD2-NH2 2.72Å; D101-R103 PolarHBondContact OD2-NH2 3.39Å; D101-F104 HydrophobicContact CB-CD1 4.13Å; D101-F104 HydrophobicContact CB-CD2 3.68Å; D101-F104 HydrophobicContact CB-CE1 4.11Å; D101-F104 HydrophobicContact CB-CE2 3.68Å; D101-F104 HydrophobicContact CB-CG 3.91Å; D101-F104 HydrophobicContact CB-CZ 3.9Å; D101-F104 WeakPolarHBondContact O-CB 3.41Å; D101-F104 PolarHBondContact O-N 3.33Å; D101-H105 PolarHBondContact O-N 2.92Å
102	W	98.8	Very high	98.6	Very high	47 Å²	47	29.9 Å²	29.9	18%	0.178	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-24.4	179.7	70.4	-97.9	0	0	0	112.4	A93 F104 H105 M106 H123 C126 E127 C640	A93-W102 HydrophobicContact CB-CB 4.3Å; W102-F104 VanDerWaalsContact C-N 3.33Å; W102-H105 WeakPolarHBondContact O-CB 3.45Å; W102-H105 PolarHBondContact O-N 2.99Å; W102-M106 HydrophobicContact CZ3-SD 4.21Å; W102-M106 PolarHBondContact O-N 3.26Å; W102-H123 AromaticContact CH2-CD2 3.69Å; W102-H123 AromaticContact CH2-CE1 3.8Å; W102-H123 AromaticContact CH2-NE2 3.45Å; W102-H123 WeakPolarHBondContact CH2-NE2 3.45Å; W102-H123 AromaticContact CZ3-CD2 3.86Å; W102-C126 WeakPolarHBondContact CB-O 3.45Å; W102-C126 HydrophobicContact CE3-CB 4.14Å; W102-E127 HydrophobicContact CD2-CB 4.01Å; W102-E127 HydrophobicContact CD2-CG 4.31Å; W102-E127 HydrophobicContact CE3-CB 3.92Å; W102-E127 HydrophobicContact CH2-CB 4.22Å; W102-E127 HydrophobicContact CH2-CG 4.49Å; W102-E127 HydrophobicContact CZ2-CB 4.31Å; W102-E127 HydrophobicContact CZ2-CG 4.15Å; W102-E127 HydrophobicContact CZ3-CB 4.05Å; W102-C640 HydrophobicContact CH2-CB 3.61Å; W102-C640 HydrophobicContact CZ2-CB 4.42Å; W102-C640 HydrophobicContact CZ3-CB 4.25Å
103	R	98.7	Very high	98.6	Very high	81 Å²	81	29.9 Å²	29.9	31%	0.306	16%	0.158	S	C	.	.	H	α-helix	trans	-70.2	-29.3	174.5	-60.5	169.6	-69.6	150.1	-5.1	112.1	D101 M106 Y107 Y163	D101-R103 PolarHBondContact O-N 3.01Å; D101-R103 VanDerWaalsContact O-N 3.13Å; D101-R103 WeakPolarHBondContact OD1-CB 3.46Å; D101-R103 VanDerWaalsContact OD1-CG 3.27Å; D101-R103 WeakPolarHBondContact OD1-CG 3.45Å; D101-R103 IonicContact OD1-CZ 2.85Å; D101-R103 PolarHBondContact OD1-N 3.06Å; D101-R103 IonicContact OD1-NE 2.9Å; D101-R103 PolarHBondContact OD1-NE 2.94Å; D101-R103 IonicContact OD1-NH2 3Å; D101-R103 IonicContact OD2-CZ 3.85Å; D101-R103 IonicContact OD2-NE 3.81Å; D101-R103 PolarHBondContact OD2-NE 3.24Å; D101-R103 IonicContact OD2-NH2 2.72Å; D101-R103 PolarHBondContact OD2-NH2 3.39Å; R103-M106 PolarHBondContact O-N 2.85Å; R103-Y107 WeakPolarHBondContact O-CB 3.31Å; R103-Y107 PolarHBondContact O-N 3.35Å; R103-Y163 HydrophobicContact CB-CE1 4.35Å
104	F	98.6	Very high	98.6	Very high	35 Å²	35	29.8 Å²	29.8	15%	0.154	16%	0.156	C	C	.	.	H	α-helix	trans	-68.3	-42.6	171.1	-54.9	-20.3	0	0	0	110.1	D101 W102 M106 Y107 D108 Y163	D101-F104 HydrophobicContact CB-CD1 4.13Å; D101-F104 HydrophobicContact CB-CD2 3.68Å; D101-F104 HydrophobicContact CB-CE1 4.11Å; D101-F104 HydrophobicContact CB-CE2 3.68Å; D101-F104 HydrophobicContact CB-CG 3.91Å; D101-F104 HydrophobicContact CB-CZ 3.9Å; D101-F104 WeakPolarHBondContact O-CB 3.41Å; D101-F104 PolarHBondContact O-N 3.33Å; W102-F104 VanDerWaalsContact C-N 3.33Å; F104-M106 VanDerWaalsContact C-N 3.35Å; F104-M106 PolarHBondContact O-N 2.72Å; F104-Y107 PolarHBondContact O-N 2.82Å; F104-D108 PolarHBondContact O-N 3.37Å; F104-Y163 HydrophobicContact CD1-CD1 4.35Å; F104-Y163 AromaticContact CD1-CD2 3.9Å; F104-Y163 HydrophobicContact CD1-CD2 3.9Å; F104-Y163 HydrophobicContact CD1-CE1 4.22Å; F104-Y163 AromaticContact CD1-CE2 3.79Å; F104-Y163 HydrophobicContact CD1-CE2 3.79Å; F104-Y163 HydrophobicContact CD1-CG 4.19Å; F104-Y163 AromaticContact CD1-CZ 3.94Å; F104-Y163 AromaticContact CE1-CD2 3.74Å; F104-Y163 HydrophobicContact CE1-CD2 3.74Å; F104-Y163 AromaticContact CE1-CE2 3.44Å; F104-Y163 HydrophobicContact CE1-CE2 3.44Å; F104-Y163 VanDerWaalsContact CE1-CE2 3.44Å; F104-Y163 HydrophobicContact CE1-CG 4.47Å; F104-Y163 AromaticContact CE1-CZ 3.93Å
105	H	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-39.2	173.7	-178	-161.1	0	0	0	112.5	D101 W102 D108 T109 N440	D101-H105 PolarHBondContact O-N 2.92Å; W102-H105 WeakPolarHBondContact O-CB 3.45Å; W102-H105 PolarHBondContact O-N 2.99Å; H105-D108 PolarHBondContact O-N 3Å; H105-T109 PolarHBondContact CD2-OG1 3.33Å; H105-T109 WeakPolarHBondContact O-CB 3.4Å; H105-T109 PolarHBondContact O-N 3.25Å; H105-T109 PolarHBondContact O-OG1 3.45Å; H105-N440 PolarHBondContact NE2-OD1 3.24Å
106	M	98.8	Very high	98.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-50.7	171.8	169.3	166.2	-179.3	0	0	111.1	W102 R103 F104 D108 T109 V110 Q119 I122 H123 C126 T634 C640	W102-M106 HydrophobicContact CZ3-SD 4.21Å; W102-M106 PolarHBondContact O-N 3.26Å; R103-M106 PolarHBondContact O-N 2.85Å; F104-M106 VanDerWaalsContact C-N 3.35Å; F104-M106 PolarHBondContact O-N 2.72Å; M106-D108 VanDerWaalsContact C-N 3.32Å; M106-D108 PolarHBondContact O-N 3.44Å; M106-T109 CarbonylContact O-C 3.56Å; M106-T109 PolarHBondContact O-N 3.42Å; M106-V110 HydrophobicContact CE-CG2 4.28Å; M106-V110 HydrophobicContact CG-CG2 4.2Å; M106-V110 WeakPolarHBondContact O-CG2 3.23Å; M106-V110 PolarHBondContact O-N 3.3Å; M106-Q119 HydrophobicContact CE-CB 4.07Å; M106-I122 HydrophobicContact CB-CG2 4.34Å; M106-I122 HydrophobicContact CG-CG2 3.89Å; M106-H123 HydrophobicContact CE-CB 4.15Å; M106-H123 HydrophobicContact SD-CB 3.86Å; M106-C126 HydrophobicContact CB-CB 4.05Å; M106-T634 HydrophobicContact CE-CG2 3.51Å; M106-C640 PolarHBondContact SD-SG 3.33Å
107	Y	98.7	Very high	98.6	Very high	16 Å²	16	25.4 Å²	25.4	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-56.6	-46	178.3	166.1	-89.3	0	0	0	112.2	R103 F104 T109 V110 K111 Y163 V643 K646	R103-Y107 WeakPolarHBondContact O-CB 3.31Å; R103-Y107 PolarHBondContact O-N 3.35Å; F104-Y107 PolarHBondContact O-N 2.82Å; Y107-T109 VanDerWaalsContact C-N 3.27Å; Y107-T109 PolarHBondContact O-N 2.76Å; Y107-V110 PolarHBondContact O-N 2.79Å; Y107-K111 HydrophobicContact CE1-CD 4.42Å; Y107-K111 WeakPolarHBondContact O-CB 3.1Å; Y107-K111 PolarHBondContact O-N 2.96Å; Y107-Y163 HydrophobicContact CD2-CD1 4.15Å; Y107-Y163 WeakPolarHBondContact CE1-O 3.32Å; Y107-Y163 AromaticContact CG-CD1 3.95Å; Y107-Y163 HydrophobicContact CG-CD1 3.95Å; Y107-Y163 PolarHBondContact OH-O 2.82Å; Y107-V643 HydrophobicContact CD2-CG1 3.85Å; Y107-V643 HydrophobicContact CD2-CG2 4.21Å; Y107-V643 HydrophobicContact CE2-CG1 4.13Å; Y107-K646 VanDerWaalsContact OH-CE 3.32Å; Y107-K646 WeakPolarHBondContact OH-CE 3.33Å; Y107-K646 PolarHBondContact OH-NZ 3.11Å
108	D	98.7	Very high	98.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-41	176.1	-73.9	-29.1	0	0	0	111.3	F104 H105 M106 G112 Q159 S160 R171 L437	F104-D108 PolarHBondContact O-N 3.37Å; H105-D108 PolarHBondContact O-N 3Å; M106-D108 VanDerWaalsContact C-N 3.32Å; M106-D108 PolarHBondContact O-N 3.44Å; D108-G112 WeakPolarHBondContact O-CA 3.22Å; D108-G112 PolarHBondContact O-N 3.04Å; D108-Q159 WeakPolarHBondContact OD2-CA 3.45Å; D108-S160 PolarHBondContact OD1-N 2.82Å; D108-S160 PolarHBondContact OD1-OG 2.83Å; D108-S160 PolarHBondContact OD2-N 2.97Å; D108-S160 VanDerWaalsContact OD2-O 3.14Å; D108-R171 IonicContact OD2-CZ 3.52Å; D108-R171 IonicContact OD2-NH1 2.75Å; D108-R171 PolarHBondContact OD2-NH1 2.99Å; D108-R171 IonicContact OD2-NH2 3.73Å; D108-L437 HydrophobicContact CB-CD1 3.9Å; D108-L437 WeakPolarHBondContact O-CD1 3.19Å
109	T	98.9	Very high	98.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	10%	0.099	C	C	.	.	H	α-helix	trans	-69.6	-43.2	-179.9	-56.9	0	0	0	0	111.6	H105 M106 Y107 G112 S113 I122 M125 V431 N440	H105-T109 PolarHBondContact CD2-OG1 3.33Å; H105-T109 WeakPolarHBondContact O-CB 3.4Å; H105-T109 PolarHBondContact O-N 3.25Å; H105-T109 PolarHBondContact O-OG1 3.45Å; M106-T109 CarbonylContact O-C 3.56Å; M106-T109 PolarHBondContact O-N 3.42Å; Y107-T109 VanDerWaalsContact C-N 3.27Å; Y107-T109 PolarHBondContact O-N 2.76Å; T109-G112 PolarHBondContact O-N 2.84Å; T109-S113 WeakPolarHBondContact O-CB 3.49Å; T109-S113 PolarHBondContact O-N 3.17Å; T109-I122 HydrophobicContact CG2-CB 4.48Å; T109-I122 HydrophobicContact CG2-CD1 4.05Å; T109-I122 HydrophobicContact CG2-CG1 4.01Å; T109-I122 HydrophobicContact CG2-CG2 3.65Å; T109-M125 HydrophobicContact CG2-CE 3.88Å; T109-V431 VanDerWaalsContact CG2-O 3.3Å; T109-V431 WeakPolarHBondContact CG2-O 3.32Å; T109-N440 WeakPolarHBondContact CG2-ND2 3.35Å; T109-N440 PolarHBondContact OG1-ND2 3.25Å
110	V	98.9	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.9	-50.5	174.9	177	0	0	0	0	110.6	M106 Y107 G112 S113 D114 W115 Q119 I122 V643	M106-V110 HydrophobicContact CE-CG2 4.28Å; M106-V110 HydrophobicContact CG-CG2 4.2Å; M106-V110 WeakPolarHBondContact O-CG2 3.23Å; M106-V110 PolarHBondContact O-N 3.3Å; Y107-V110 PolarHBondContact O-N 2.79Å; V110-G112 VanDerWaalsContact C-N 3.3Å; V110-G112 PolarHBondContact O-N 3.12Å; V110-S113 PolarHBondContact O-N 2.9Å; V110-S113 PolarHBondContact O-OG 2.88Å; V110-D114 PolarHBondContact O-N 2.82Å; V110-W115 HydrophobicContact CG1-CG 4.42Å; V110-W115 PolarHBondContact O-N 2.8Å; V110-Q119 HydrophobicContact CG1-CG 4.39Å; V110-Q119 HydrophobicContact CG2-CG 4.02Å; V110-I122 HydrophobicContact CG2-CB 4.5Å; V110-I122 HydrophobicContact CG2-CD1 3.84Å; V110-I122 HydrophobicContact CG2-CG2 4.13Å; V110-V643 HydrophobicContact CB-CB 4.42Å; V110-V643 HydrophobicContact CG1-CB 4.02Å; V110-V643 HydrophobicContact CG1-CG1 4.36Å
111	K	98.6	Very high	98.8	Very high	31 Å²	31	13.5 Å²	13.5	14%	0.135	6%	0.058	C	C	.	.	H	α-helix	trans	-58.1	-44.3	174	-178.2	-170.1	175.8	-170.5	0	110.9	Y107 S113 D114 W115 R648 T649 Y650	Y107-K111 HydrophobicContact CE1-CD 4.42Å; Y107-K111 WeakPolarHBondContact O-CB 3.1Å; Y107-K111 PolarHBondContact O-N 2.96Å; K111-S113 VanDerWaalsContact C-N 3.31Å; K111-S113 PolarHBondContact O-N 2.84Å; K111-D114 PolarHBondContact O-N 3.26Å; K111-D114 VanDerWaalsContact O-N 3.08Å; K111-W115 HydrophobicContact CG-CH2 4.21Å; K111-R648 HydrophobicContact CG-CG 4.34Å; K111-R648 VanDerWaalsContact O-CD 3.25Å; K111-R648 WeakPolarHBondContact O-CD 3.31Å; K111-R648 PolarHBondContact O-NE 3.12Å; K111-T649 WeakPolarHBondContact CE-O 3.44Å; K111-T649 PolarHBondContact NZ-O 2.84Å; K111-Y650 HydrophobicContact CD-CE1 4.4Å
112	G	98.6	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.8	-41.8	-179.6	0	0	0	0	0	112.5	D108 T109 V110 D114 N435 R648	D108-G112 WeakPolarHBondContact O-CA 3.22Å; D108-G112 PolarHBondContact O-N 3.04Å; T109-G112 PolarHBondContact O-N 2.84Å; V110-G112 VanDerWaalsContact C-N 3.3Å; V110-G112 PolarHBondContact O-N 3.12Å; G112-D114 PolarHBondContact O-N 2.88Å; G112-N435 CarbonylContact C-O 3.51Å; G112-N435 VanDerWaalsContact C-O 3.25Å; G112-N435 WeakPolarHBondContact O-CB 3.47Å; G112-N435 PolarHBondContact O-ND2 3.46Å; G112-R648 PolarHBondContact O-NH2 2.88Å
113	S	98.9	Very high	98.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7.5	177.2	81	0	0	0	0	114.6	T109 V110 K111 W115 L116 G117 H432 A434	T109-S113 WeakPolarHBondContact O-CB 3.49Å; T109-S113 PolarHBondContact O-N 3.17Å; V110-S113 PolarHBondContact O-N 2.9Å; V110-S113 PolarHBondContact O-OG 2.88Å; K111-S113 VanDerWaalsContact C-N 3.31Å; K111-S113 PolarHBondContact O-N 2.84Å; S113-W115 VanDerWaalsContact C-N 3.29Å; S113-W115 PolarHBondContact O-N 2.91Å; S113-W115 PolarHBondContact OG-N 2.84Å; S113-L116 PolarHBondContact O-N 3.05Å; S113-G117 PolarHBondContact OG-N 3.19Å; S113-G117 VanDerWaalsContact OG-N 3.11Å; S113-H432 WeakPolarHBondContact CA-O 3.43Å; S113-H432 WeakPolarHBondContact CB-O 3.29Å; S113-A434 WeakPolarHBondContact O-CB 3.45Å; S113-A434 PolarHBondContact O-N 2.8Å
114	D	98.8	Very high	98.8	Very high	10 Å²	10	7.7 Å²	7.7	5%	0.053	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	42.8	-175.4	-154.9	5.2	0	0	0	112.7	V110 K111 G112 L116 A434 R575 G576 R586 R648	V110-D114 PolarHBondContact O-N 2.82Å; K111-D114 PolarHBondContact O-N 3.26Å; K111-D114 VanDerWaalsContact O-N 3.08Å; G112-D114 PolarHBondContact O-N 2.88Å; D114-L116 PolarHBondContact O-N 3.41Å; D114-L116 VanDerWaalsContact O-N 3.12Å; D114-A434 HydrophobicContact CB-CB 4.3Å; D114-R575 HydrophobicContact CB-CG 3.76Å; D114-R575 PolarHBondContact O-NH1 2.83Å; D114-R575 WeakPolarHBondContact OD2-CA 3.05Å; D114-R575 WeakPolarHBondContact OD2-CG 3.48Å; D114-G576 PolarHBondContact OD2-N 2.8Å; D114-R586 VanDerWaalsContact OD1-CD 3.25Å; D114-R586 WeakPolarHBondContact OD1-CD 3.42Å; D114-R586 IonicContact OD1-CZ 3.28Å; D114-R586 IonicContact OD1-NE 2.77Å; D114-R586 IonicContact OD1-NH1 2.84Å; D114-R586 PolarHBondContact OD1-NH1 2.94Å; D114-R648 VanDerWaalsContact CG-CD 3.47Å; D114-R648 WeakPolarHBondContact OD1-CD 3.35Å
115	W	98.8	Very high	98.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	27.6	-180	-59.6	-92.5	0	0	0	114.9	V110 K111 S113 R609 V643 P644 P645 K646 R648	V110-W115 HydrophobicContact CG1-CG 4.42Å; V110-W115 PolarHBondContact O-N 2.8Å; K111-W115 HydrophobicContact CG-CH2 4.21Å; S113-W115 VanDerWaalsContact C-N 3.29Å; S113-W115 PolarHBondContact O-N 2.91Å; S113-W115 PolarHBondContact OG-N 2.84Å; W115-R609 WeakPolarHBondContact O-CG 3.35Å; W115-V643 PolarHBondContact NE1-O 3.12Å; W115-P644 PolarHBondContact NE1-O 2.98Å; W115-P645 HydrophobicContact CB-CB 4.33Å; W115-P645 HydrophobicContact CB-CG 4.13Å; W115-P645 HydrophobicContact CD2-CB 4.16Å; W115-P645 HydrophobicContact CG-CB 3.94Å; W115-P645 HydrophobicContact CG-CG 4Å; W115-K646 HydrophobicContact CH2-CB 4.47Å; W115-K646 HydrophobicContact CH2-CG 3.54Å; W115-K646 WeakPolarHBondContact CH2-O 3.19Å; W115-K646 HydrophobicContact CZ2-CB 4.38Å; W115-K646 HydrophobicContact CZ2-CD 4.45Å; W115-K646 HydrophobicContact CZ2-CG 3.4Å; W115-K646 WeakPolarHBondContact CZ3-O 3.26Å; W115-R648 HydrophobicContact CH2-CB 4.38Å; W115-R648 HydrophobicContact CZ3-CB 3.92Å; W115-R648 HydrophobicContact CZ3-CG 4.24Å
116	L	98.9	Very high	98.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.			trans	-103.4	2	163.8	-162.8	71.3	0	0	0	111.3	S113 D114 F275 G433 A434 K610 H611 V630	S113-L116 PolarHBondContact O-N 3.05Å; D114-L116 PolarHBondContact O-N 3.41Å; D114-L116 VanDerWaalsContact O-N 3.12Å; L116-F275 HydrophobicContact CD2-CD2 3.96Å; L116-F275 HydrophobicContact CD2-CE1 4.06Å; L116-F275 HydrophobicContact CD2-CE2 3.31Å; L116-F275 HydrophobicContact CD2-CZ 3.36Å; L116-G433 VanDerWaalsContact C-CA 3.49Å; L116-G433 WeakPolarHBondContact O-CA 3.33Å; L116-A434 HydrophobicContact CB-CB 4.27Å; L116-A434 HydrophobicContact CD2-CB 4.07Å; L116-K610 WeakPolarHBondContact CD1-O 3.41Å; L116-H611 PolarHBondContact O-CE1 3.13Å; L116-V630 HydrophobicContact CD1-CG2 3.87Å
117	G	98.9	Very high	98.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-84.3	134.8	172.9	0	0	0	0	0	111.5	S113 Q119 S430	S113-G117 PolarHBondContact OG-N 3.19Å; S113-G117 VanDerWaalsContact OG-N 3.11Å; G117-Q119 PolarHBondContact O-N 2.91Å; G117-S430 CarbonylContact C-O 3.46Å; G117-S430 VanDerWaalsContact CA-O 3.3Å; G117-S430 WeakPolarHBondContact CA-O 3.33Å
118	D	98.8	Very high	98.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.			trans	-71	113.5	173.6	-71.8	-46.4	0	0	0	109	D120 A121 I122 S430 H611 R628 I631	D118-D120 VanDerWaalsContact C-N 3.33Å; D118-D120 PolarHBondContact O-N 3.03Å; D118-A121 HydrophobicContact CB-CB 4.37Å; D118-A121 PolarHBondContact O-N 2.87Å; D118-I122 WeakPolarHBondContact O-CG1 3.34Å; D118-I122 PolarHBondContact O-N 3.48Å; D118-S430 PolarHBondContact N-O 3.37Å; D118-S430 PolarHBondContact OD2-N 3Å; D118-S430 VanDerWaalsContact OD2-N 3.14Å; D118-H611 IonicContact OD1-NE2 3.4Å; D118-H611 PolarHBondContact OD1-NE2 3Å; D118-H611 IonicContact OD2-CE1 3.88Å; D118-H611 IonicContact OD2-NE2 2.72Å; D118-H611 PolarHBondContact OD2-NE2 3.42Å; D118-R628 IonicContact OD1-CZ 3.26Å; D118-R628 IonicContact OD1-NH1 3.3Å; D118-R628 IonicContact OD1-NH2 2.99Å; D118-R628 PolarHBondContact OD1-NH2 2.9Å; D118-R628 IonicContact OD2-CZ 2.83Å; D118-R628 IonicContact OD2-NH1 3.52Å; D118-R628 PolarHBondContact OD2-NH1 3.11Å; D118-R628 IonicContact OD2-NH2 3.57Å; D118-R628 PolarHBondContact OD2-NH2 3.28Å; D118-I631 CarbonylContact C-O 3.55Å; D118-I631 HydrophobicContact CB-CB 4.21Å; D118-I631 WeakPolarHBondContact OD1-CB 3.3Å; D118-I631 PolarHBondContact OD1-N 3.1Å
119	Q	98.9	Very high	98.8	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-73.1	-21.8	-167.4	-61	-163.5	42.6	0	0	113.6	M106 V110 G117 H123 I631 D632 T634 S642 V643	M106-Q119 HydrophobicContact CE-CB 4.07Å; V110-Q119 HydrophobicContact CG1-CG 4.39Å; V110-Q119 HydrophobicContact CG2-CG 4.02Å; G117-Q119 PolarHBondContact O-N 2.91Å; Q119-H123 WeakPolarHBondContact O-CB 3.48Å; Q119-H123 PolarHBondContact O-N 2.79Å; Q119-I631 PolarHBondContact N-O 2.8Å; Q119-D632 PolarHBondContact NE2-OD1 2.9Å; Q119-T634 HydrophobicContact CB-CG2 4.26Å; Q119-S642 PolarHBondContact NE2-OG 3.04Å; Q119-S642 VanDerWaalsContact NE2-OG 3.16Å; Q119-S642 PolarHBondContact OE1-OG 3.46Å; Q119-V643 PolarHBondContact NE2-O 3.42Å
120	D	98.8	Very high	98.8	Very high	20 Å²	20	10.5 Å²	10.5	11%	0.107	5%	0.051	C	C	.	.	H	α-helix	trans	-67.1	-44.4	170.3	60.9	-23.6	0	0	0	111.2	D118 H123 Y124 I631 A633 L635	D118-D120 VanDerWaalsContact C-N 3.33Å; D118-D120 PolarHBondContact O-N 3.03Å; D120-H123 PolarHBondContact O-N 2.83Å; D120-Y124 PolarHBondContact O-N 2.71Å; D120-I631 HydrophobicContact CB-CG2 4.3Å; D120-A633 WeakPolarHBondContact CB-O 3.48Å; D120-A633 PolarHBondContact N-O 3.29Å; D120-A633 VanDerWaalsContact N-O 3.14Å; D120-L635 HydrophobicContact CB-CD2 3.92Å; D120-L635 HydrophobicContact CB-CG 4.37Å
121	A	98.9	Very high	98.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.4	-40	174.9	0	0	0	0	0	111.9	D118 Y124 M125 A429 V431 F448	D118-A121 HydrophobicContact CB-CB 4.37Å; D118-A121 PolarHBondContact O-N 2.87Å; A121-Y124 PolarHBondContact O-N 3.28Å; A121-M125 WeakPolarHBondContact O-CB 3.49Å; A121-M125 PolarHBondContact O-N 3.21Å; A121-A429 HydrophobicContact CB-CB 4.23Å; A121-V431 VanDerWaalsContact C-CG1 3.48Å; A121-V431 HydrophobicContact CB-CG1 3.6Å; A121-V431 WeakPolarHBondContact O-CG1 3.4Å; A121-F448 HydrophobicContact CB-CZ 4.31Å
122	I	98.9	Very high	98.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-42.8	175.9	-64	170.5	0	0	0	110.9	M106 T109 V110 D118 M125 C126 V431	M106-I122 HydrophobicContact CB-CG2 4.34Å; M106-I122 HydrophobicContact CG-CG2 3.89Å; T109-I122 HydrophobicContact CG2-CB 4.48Å; T109-I122 HydrophobicContact CG2-CD1 4.05Å; T109-I122 HydrophobicContact CG2-CG1 4.01Å; T109-I122 HydrophobicContact CG2-CG2 3.65Å; V110-I122 HydrophobicContact CG2-CB 4.5Å; V110-I122 HydrophobicContact CG2-CD1 3.84Å; V110-I122 HydrophobicContact CG2-CG2 4.13Å; D118-I122 WeakPolarHBondContact O-CG1 3.34Å; D118-I122 PolarHBondContact O-N 3.48Å; I122-M125 PolarHBondContact O-N 2.89Å; I122-C126 WeakPolarHBondContact O-CB 3.28Å; I122-C126 PolarHBondContact O-N 3.19Å; I122-V431 HydrophobicContact CG1-CB 4.02Å; I122-V431 HydrophobicContact CG1-CG1 4.27Å
123	H	98.9	Very high	98.8	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-54.3	-55.4	174	-178.5	143.5	0	0	0	109.9	W102 M106 Q119 D120 M125 C126 E127 L635	W102-H123 AromaticContact CH2-CD2 3.69Å; W102-H123 AromaticContact CH2-CE1 3.8Å; W102-H123 AromaticContact CH2-NE2 3.45Å; W102-H123 WeakPolarHBondContact CH2-NE2 3.45Å; W102-H123 AromaticContact CZ3-CD2 3.86Å; M106-H123 HydrophobicContact CE-CB 4.15Å; M106-H123 HydrophobicContact SD-CB 3.86Å; Q119-H123 WeakPolarHBondContact O-CB 3.48Å; Q119-H123 PolarHBondContact O-N 2.79Å; D120-H123 PolarHBondContact O-N 2.83Å; H123-M125 VanDerWaalsContact C-N 3.3Å; H123-M125 PolarHBondContact O-N 3.04Å; H123-C126 PolarHBondContact O-N 3.2Å; H123-E127 IonicContact CD2-OE2 3.23Å; H123-E127 IonicContact NE2-OE2 3.55Å; H123-E127 VanDerWaalsContact O-CB 3.32Å; H123-E127 WeakPolarHBondContact O-CB 3.49Å; H123-E127 PolarHBondContact O-N 3.39Å; H123-L635 HydrophobicContact CB-CG 4.46Å; H123-L635 PolarHBondContact ND1-N 3.39Å
124	Y	98.9	Very high	98.8	Very high	37 Å²	37	18.7 Å²	18.7	15%	0.145	9%	0.09	C	C	.	.	H	α-helix	trans	-55.2	-46.6	179.4	-173.2	-99.1	0	0	0	112	D120 A121 E128 Y400 V447 F448 A451 L635	D120-Y124 PolarHBondContact O-N 2.71Å; A121-Y124 PolarHBondContact O-N 3.28Å; Y124-E128 HydrophobicContact CD2-CG 4.43Å; Y124-E128 HydrophobicContact CE1-CG 4.23Å; Y124-E128 HydrophobicContact CE2-CG 4.09Å; Y124-E128 WeakPolarHBondContact O-CB 3.48Å; Y124-E128 WeakPolarHBondContact O-CG 2.91Å; Y124-E128 PolarHBondContact O-N 3.3Å; Y124-Y400 HydrophobicContact CD2-CD2 4.16Å; Y124-Y400 HydrophobicContact CD2-CE2 4.38Å; Y124-Y400 HydrophobicContact CG-CD2 4.17Å; Y124-V447 HydrophobicContact CD1-CG1 3.65Å; Y124-V447 HydrophobicContact CE1-CG1 3.44Å; Y124-V447 VanDerWaalsContact CE1-CG1 3.44Å; Y124-F448 HydrophobicContact CD1-CE1 4.07Å; Y124-F448 HydrophobicContact CD1-CZ 4.46Å; Y124-A451 HydrophobicContact CE1-CB 3.88Å; Y124-L635 HydrophobicContact CD2-CD1 4.05Å; Y124-L635 HydrophobicContact CG-CD1 4.47Å
125	M	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-47.8	-178.7	-174.8	-175.6	64.2	0	0	112.7	T109 A121 I122 H123 A129 V431 N440 L443 D444 F448	T109-M125 HydrophobicContact CG2-CE 3.88Å; A121-M125 WeakPolarHBondContact O-CB 3.49Å; A121-M125 PolarHBondContact O-N 3.21Å; I122-M125 PolarHBondContact O-N 2.89Å; H123-M125 VanDerWaalsContact C-N 3.3Å; H123-M125 PolarHBondContact O-N 3.04Å; M125-A129 WeakPolarHBondContact O-CB 3.42Å; M125-A129 PolarHBondContact O-N 3.47Å; M125-A129 VanDerWaalsContact O-N 3.17Å; M125-V431 HydrophobicContact CB-CG1 4.21Å; M125-V431 HydrophobicContact CE-CB 3.91Å; M125-V431 HydrophobicContact CE-CG1 4.47Å; M125-V431 HydrophobicContact CE-CG2 4.11Å; M125-V431 HydrophobicContact SD-CB 3.94Å; M125-V431 HydrophobicContact SD-CG1 4.23Å; M125-V431 HydrophobicContact SD-CG2 3.64Å; M125-N440 HydrophobicContact CE-CB 4.46Å; M125-L443 HydrophobicContact CE-CD2 4.36Å; M125-L443 HydrophobicContact CG-CD2 3.67Å; M125-L443 HydrophobicContact CG-CG 3.74Å; M125-L443 HydrophobicContact SD-CD2 4.04Å; M125-L443 HydrophobicContact SD-CG 4.16Å; M125-D444 HydrophobicContact SD-CB 4.1Å; M125-F448 HydrophobicContact CB-CE2 3.99Å; M125-F448 HydrophobicContact CB-CZ 4.08Å; M125-F448 HydrophobicContact CG-CE2 4.15Å; M125-F448 HydrophobicContact SD-CE2 4.26Å
126	C	98.9	Very high	98.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-73.3	-39.4	-176.3	-71.5	0	0	0	0	111.9	W102 M106 I122 H123 A129	W102-C126 WeakPolarHBondContact CB-O 3.45Å; W102-C126 HydrophobicContact CE3-CB 4.14Å; M106-C126 HydrophobicContact CB-CB 4.05Å; I122-C126 WeakPolarHBondContact O-CB 3.28Å; I122-C126 PolarHBondContact O-N 3.19Å; H123-C126 PolarHBondContact O-N 3.2Å; C126-A129 WeakPolarHBondContact O-CB 3.41Å; C126-A129 PolarHBondContact O-N 3.34Å
127	E	98.8	Very high	98.8	Very high	69 Å²	69	22.6 Å²	22.6	32%	0.322	11%	0.108	S	C	.	.	H	α-helix	trans	-65.2	-40.5	176.6	-172.3	-176.8	-154.7	0	0	112.1	W102 H123 A129 P130	W102-E127 HydrophobicContact CD2-CB 4.01Å; W102-E127 HydrophobicContact CD2-CG 4.31Å; W102-E127 HydrophobicContact CE3-CB 3.92Å; W102-E127 HydrophobicContact CH2-CB 4.22Å; W102-E127 HydrophobicContact CH2-CG 4.49Å; W102-E127 HydrophobicContact CZ2-CB 4.31Å; W102-E127 HydrophobicContact CZ2-CG 4.15Å; W102-E127 HydrophobicContact CZ3-CB 4.05Å; H123-E127 IonicContact CD2-OE2 3.23Å; H123-E127 IonicContact NE2-OE2 3.55Å; H123-E127 VanDerWaalsContact O-CB 3.32Å; H123-E127 WeakPolarHBondContact O-CB 3.49Å; H123-E127 PolarHBondContact O-N 3.39Å; E127-A129 VanDerWaalsContact C-N 3.29Å; E127-A129 PolarHBondContact O-N 2.81Å; E127-P130 WeakPolarHBondContact O-CD 3.5Å
128	E	98.7	Very high	98.8	Very high	22 Å²	22	28.2 Å²	28.2	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-76.9	-14.5	177.8	-73.7	-64.9	114.9	0	0	113.3	Y124 K131 A132 V447 R450	Y124-E128 HydrophobicContact CD2-CG 4.43Å; Y124-E128 HydrophobicContact CE1-CG 4.23Å; Y124-E128 HydrophobicContact CE2-CG 4.09Å; Y124-E128 WeakPolarHBondContact O-CB 3.48Å; Y124-E128 WeakPolarHBondContact O-CG 2.91Å; Y124-E128 PolarHBondContact O-N 3.3Å; E128-K131 PolarHBondContact O-N 2.61Å; E128-K131 VanDerWaalsContact O-N 3.12Å; E128-K131 IonicContact OE1-NZ 3.69Å; E128-K131 PolarHBondContact OE1-NZ 3.31Å; E128-A132 WeakPolarHBondContact O-CB 3.43Å; E128-A132 PolarHBondContact O-N 2.67Å; E128-V447 HydrophobicContact CB-CG1 4.17Å; E128-V447 HydrophobicContact CB-CG2 4.24Å; E128-R450 IonicContact OE2-NH1 3.7Å; E128-R450 PolarHBondContact OE2-NH1 2.83Å
129	A	98.9	Very high	98.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.1	-47.6	-172.7	0	0	0	0	0	114.3	A92 M125 C126 E127 K131 A132 V133 L443	A92-A129 HydrophobicContact CB-CB 4.01Å; M125-A129 WeakPolarHBondContact O-CB 3.42Å; M125-A129 PolarHBondContact O-N 3.47Å; M125-A129 VanDerWaalsContact O-N 3.17Å; C126-A129 WeakPolarHBondContact O-CB 3.41Å; C126-A129 PolarHBondContact O-N 3.34Å; E127-A129 VanDerWaalsContact C-N 3.29Å; E127-A129 PolarHBondContact O-N 2.81Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.44Å; A129-A132 PolarHBondContact O-N 3.22Å; A129-V133 WeakPolarHBondContact O-CG2 3.48Å; A129-V133 PolarHBondContact O-N 2.93Å; A129-L443 HydrophobicContact CB-CD1 3.45Å; A129-L443 VanDerWaalsContact CB-CD1 3.45Å; A129-L443 HydrophobicContact CB-CD2 3.71Å; A129-L443 HydrophobicContact CB-CG 4.23Å
130	P	98.9	Very high	98.8	Very high	27 Å²	27	32.9 Å²	32.9	18%	0.175	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-44.9	176	-25.9	37.4	0	0	0	112.7	L94 E127 A132 V133 I134	L94-P130 HydrophobicContact CD2-CB 3.92Å; E127-P130 WeakPolarHBondContact O-CD 3.5Å; P130-A132 PolarHBondContact O-N 3.45Å; P130-V133 PolarHBondContact O-N 3.19Å; P130-I134 WeakPolarHBondContact O-CB 3.31Å; P130-I134 WeakPolarHBondContact O-CD1 3.03Å; P130-I134 WeakPolarHBondContact O-CG1 3.41Å; P130-I134 PolarHBondContact O-N 2.93Å
131	K	98.8	Very high	98.8	Very high	112 Å²	112	32 Å²	32	49%	0.487	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-43	-179.7	-57.5	175.2	-162.5	159.4	0	111.1	E128 A129 I134 E135	E128-K131 PolarHBondContact O-N 2.61Å; E128-K131 VanDerWaalsContact O-N 3.12Å; E128-K131 IonicContact OE1-NZ 3.69Å; E128-K131 PolarHBondContact OE1-NZ 3.31Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 3.44Å; K131-I134 PolarHBondContact O-N 3.46Å; K131-E135 WeakPolarHBondContact O-CB 3.39Å; K131-E135 PolarHBondContact O-N 2.85Å
132	A	98.8	Very high	98.8	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-41.8	180	0	0	0	0	0	112.3	E128 A129 P130 E135 L136 V446 V447	E128-A132 WeakPolarHBondContact O-CB 3.43Å; E128-A132 PolarHBondContact O-N 2.67Å; A129-A132 PolarHBondContact O-N 3.22Å; P130-A132 PolarHBondContact O-N 3.45Å; A132-E135 PolarHBondContact O-N 3.44Å; A132-L136 WeakPolarHBondContact O-CG 3.3Å; A132-L136 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-N 3.1Å; A132-V446 HydrophobicContact CB-CG2 4.05Å; A132-V447 HydrophobicContact CB-CG2 3.99Å
133	V	98.9	Very high	98.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-38.1	177.4	173	0	0	0	0	111.8	I90 A92 L94 A129 P130 L136 E137 F143 I151 C173	I90-V133 HydrophobicContact CD1-CG2 3.89Å; I90-V133 HydrophobicContact CG1-CG2 3.95Å; I90-V133 HydrophobicContact CG2-CG2 4.06Å; A92-V133 HydrophobicContact CB-CB 3.95Å; A92-V133 HydrophobicContact CB-CG2 3.53Å; L94-V133 HydrophobicContact CD1-CG1 4.04Å; A129-V133 WeakPolarHBondContact O-CG2 3.48Å; A129-V133 PolarHBondContact O-N 2.93Å; P130-V133 PolarHBondContact O-N 3.19Å; V133-L136 WeakPolarHBondContact O-CB 3.44Å; V133-L136 PolarHBondContact O-N 2.64Å; V133-E137 PolarHBondContact O-N 3.44Å; V133-F143 HydrophobicContact CG1-CE2 4.13Å; V133-F143 HydrophobicContact CG1-CZ 3.93Å; V133-I151 HydrophobicContact CG1-CD1 4.03Å; V133-C173 HydrophobicContact CG1-CB 4.25Å
134	I	98.9	Very high	98.8	Very high	87 Å²	87	36.9 Å²	36.9	45%	0.446	20%	0.198	S	C	.	.	H	α-helix	trans	-63.1	-44.2	172.9	-68.6	165.6	0	0	0	110.2	L94 P130 K131 L136 E137 N138	L94-I134 HydrophobicContact CD2-CD1 4.42Å; L94-I134 HydrophobicContact CD2-CG1 4.31Å; P130-I134 WeakPolarHBondContact O-CB 3.31Å; P130-I134 WeakPolarHBondContact O-CD1 3.03Å; P130-I134 WeakPolarHBondContact O-CG1 3.41Å; P130-I134 PolarHBondContact O-N 2.93Å; K131-I134 PolarHBondContact O-N 3.46Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 PolarHBondContact O-N 3.32Å; I134-E137 PolarHBondContact O-N 3.22Å; I134-E137 VanDerWaalsContact O-N 3.11Å; I134-N138 WeakPolarHBondContact CG2-OD1 3.39Å; I134-N138 WeakPolarHBondContact O-CB 3.5Å; I134-N138 PolarHBondContact O-N 2.97Å; I134-N138 PolarHBondContact O-OD1 3.42Å
135	E	98.7	Very high	98.8	Very high	39 Å²	39	40 Å²	40	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-54.6	-43.8	175	-178.4	-179.2	-110.9	0	0	111.7	R58 K131 A132 N138 Y139 R450	R58-E135 IonicContact CZ-OE1 2.72Å; R58-E135 IonicContact CZ-OE2 3.41Å; R58-E135 VanDerWaalsContact CZ-OE2 3.3Å; R58-E135 IonicContact NE-OE2 3.27Å; R58-E135 PolarHBondContact NE-OE2 3.42Å; R58-E135 VanDerWaalsContact NH2-CD 3.29Å; R58-E135 IonicContact NH2-OE1 2.93Å; R58-E135 PolarHBondContact NH2-OE1 2.98Å; R58-E135 IonicContact NH2-OE2 2.92Å; R58-E135 PolarHBondContact NH2-OE2 3.41Å; K131-E135 WeakPolarHBondContact O-CB 3.39Å; K131-E135 PolarHBondContact O-N 2.85Å; A132-E135 PolarHBondContact O-N 3.44Å; E135-N138 PolarHBondContact O-N 3.05Å; E135-Y139 VanDerWaalsContact CD-OH 3.25Å; E135-Y139 HydrophobicContact CG-CD2 4.33Å; E135-Y139 HydrophobicContact CG-CE1 3.99Å; E135-Y139 HydrophobicContact CG-CE2 3.62Å; E135-Y139 VanDerWaalsContact CG-CZ 3.42Å; E135-Y139 WeakPolarHBondContact CG-OH 3.48Å; E135-Y139 WeakPolarHBondContact O-CD1 3.4Å; E135-Y139 VanDerWaalsContact O-CG 3.27Å; E135-Y139 PolarHBondContact O-N 3.42Å; E135-Y139 PolarHBondContact OE1-OH 3.35Å; E135-R450 IonicContact OE1-NE 3.38Å
136	L	98.8	Very high	98.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-42.7	176.2	-71	174.3	0	0	0	113	I90 A132 V133 I134 N138 Y139 G140 V141 F143 L183 L187 V446	I90-L136 HydrophobicContact CD1-CD1 3.88Å; A132-L136 WeakPolarHBondContact O-CG 3.3Å; A132-L136 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-N 3.1Å; V133-L136 WeakPolarHBondContact O-CB 3.44Å; V133-L136 PolarHBondContact O-N 2.64Å; I134-L136 VanDerWaalsContact C-N 3.27Å; I134-L136 PolarHBondContact O-N 3.32Å; L136-N138 VanDerWaalsContact C-N 3.35Å; L136-Y139 PolarHBondContact O-N 3.48Å; L136-G140 PolarHBondContact O-N 3.36Å; L136-V141 HydrophobicContact CB-CB 4.43Å; L136-V141 HydrophobicContact CB-CG2 3.87Å; L136-V141 HydrophobicContact CD2-CG2 4.36Å; L136-V141 WeakPolarHBondContact O-CB 3.3Å; L136-V141 WeakPolarHBondContact O-CG2 3.44Å; L136-V141 PolarHBondContact O-N 2.82Å; L136-F143 HydrophobicContact CB-CE2 4.34Å; L136-L183 HydrophobicContact CD1-CD1 3.78Å; L136-L183 HydrophobicContact CD1-CG 4.36Å; L136-L183 HydrophobicContact CD2-CG 4.4Å; L136-L187 HydrophobicContact CD2-CD2 3.74Å; L136-L187 HydrophobicContact CD2-CG 4.28Å; L136-V446 HydrophobicContact CD1-CG1 4.22Å; L136-V446 HydrophobicContact CD1-CG2 4.36Å; L136-V446 HydrophobicContact CD2-CG1 4.27Å
137	E	98.8	Very high	98.6	Very high	53 Å²	53	52 Å²	52	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-44.9	176.4	-164.6	-86	177.8	0	0	110.9	V133 I134 Y139 G140 F143 R145 I151	V133-E137 PolarHBondContact O-N 3.44Å; I134-E137 PolarHBondContact O-N 3.22Å; I134-E137 VanDerWaalsContact O-N 3.11Å; E137-Y139 PolarHBondContact O-N 3.14Å; E137-G140 WeakPolarHBondContact O-CA 3.36Å; E137-G140 PolarHBondContact O-N 2.81Å; E137-F143 HydrophobicContact CB-CD2 4.02Å; E137-F143 HydrophobicContact CB-CE2 4.15Å; E137-F143 HydrophobicContact CG-CD2 4.07Å; E137-R145 IonicContact OE1-CZ 3.66Å; E137-R145 IonicContact OE1-NH1 2.7Å; E137-R145 PolarHBondContact OE1-NH1 2.9Å; E137-R145 IonicContact OE1-NH2 2.95Å; E137-R145 PolarHBondContact OE1-NH2 2.95Å; E137-I151 HydrophobicContact CB-CD1 4.02Å; E137-I151 HydrophobicContact CG-CD1 3.94Å; E137-I151 HydrophobicContact CG-CG1 4.24Å
138	N	98.7	Very high	98.6	Very high	117 Å²	117	53.5 Å²	53.5	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-65.9	-22.3	175.9	-76.1	73.3	0	0	0	113.6	I134 E135 L136 G140	I134-N138 WeakPolarHBondContact CG2-OD1 3.39Å; I134-N138 WeakPolarHBondContact O-CB 3.5Å; I134-N138 PolarHBondContact O-N 2.97Å; I134-N138 PolarHBondContact O-OD1 3.42Å; E135-N138 PolarHBondContact O-N 3.05Å; L136-N138 VanDerWaalsContact C-N 3.35Å; N138-G140 VanDerWaalsContact C-N 3.26Å
139	Y	98.6	Very high	98.6	Very high	51 Å²	51	54.5 Å²	54.5	20%	0.2	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.7	168.4	-66.6	-16.7	0	0	0	113.4	F61 E135 L136 E137 L187 R190	F61-Y139 HydrophobicContact CE2-CE2 4.09Å; F61-Y139 AromaticContact CZ-CE2 3.74Å; F61-Y139 HydrophobicContact CZ-CE2 3.74Å; E135-Y139 VanDerWaalsContact CD-OH 3.25Å; E135-Y139 HydrophobicContact CG-CD2 4.33Å; E135-Y139 HydrophobicContact CG-CE1 3.99Å; E135-Y139 HydrophobicContact CG-CE2 3.62Å; E135-Y139 VanDerWaalsContact CG-CZ 3.42Å; E135-Y139 WeakPolarHBondContact CG-OH 3.48Å; E135-Y139 WeakPolarHBondContact O-CD1 3.4Å; E135-Y139 VanDerWaalsContact O-CG 3.27Å; E135-Y139 PolarHBondContact O-N 3.42Å; E135-Y139 PolarHBondContact OE1-OH 3.35Å; L136-Y139 PolarHBondContact O-N 3.48Å; E137-Y139 PolarHBondContact O-N 3.14Å; Y139-L187 HydrophobicContact CD2-CD2 4.45Å; Y139-R190 HydrophobicContact CD1-CG 4.19Å; Y139-R190 HydrophobicContact CD2-CB 4.44Å; Y139-R190 HydrophobicContact CD2-CG 3.97Å; Y139-R190 HydrophobicContact CE1-CG 4.3Å; Y139-R190 HydrophobicContact CE2-CG 4.07Å; Y139-R190 HydrophobicContact CG-CG 4.03Å
140	G	98.6	Very high	98.5	Very high	48 Å²	48	59.6 Å²	59.6	50%	0.495	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.1	20.1	177.9	0	0	0	0	0	114.4	L136 E137 N138 P142	L136-G140 PolarHBondContact O-N 3.36Å; E137-G140 WeakPolarHBondContact O-CA 3.36Å; E137-G140 PolarHBondContact O-N 2.81Å; N138-G140 VanDerWaalsContact C-N 3.26Å; G140-P142 VanDerWaalsContact O-CD 3.28Å; G140-P142 WeakPolarHBondContact O-CD 3.32Å
141	V	98.8	Very high	98.5	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	31%	0.309	C	S	.	.			trans	-60.2	121.5	171.5	173.3	0	0	0	0	108.3	L136 F143 V175 T186	L136-V141 HydrophobicContact CB-CB 4.43Å; L136-V141 HydrophobicContact CB-CG2 3.87Å; L136-V141 HydrophobicContact CD2-CG2 4.36Å; L136-V141 WeakPolarHBondContact O-CB 3.3Å; L136-V141 WeakPolarHBondContact O-CG2 3.44Å; L136-V141 PolarHBondContact O-N 2.82Å; V141-F143 HydrophobicContact CB-CD2 4.03Å; V141-F143 HydrophobicContact CB-CE2 3.77Å; V141-F143 HydrophobicContact CB-CZ 4.36Å; V141-F143 HydrophobicContact CG1-CD1 4.29Å; V141-F143 HydrophobicContact CG1-CD2 3.74Å; V141-F143 HydrophobicContact CG1-CE1 4.11Å; V141-F143 HydrophobicContact CG1-CE2 3.55Å; V141-F143 HydrophobicContact CG1-CG 4.11Å; V141-F143 HydrophobicContact CG1-CZ 3.74Å; V141-F143 PolarHBondContact O-N 3.45Å; V141-V175 HydrophobicContact CG1-CG2 3.87Å; V141-T186 HydrophobicContact CG2-CG2 3.68Å
142	P	98.7	Very high	98.5	Very high	74 Å²	74	54.3 Å²	54.3	48%	0.481	29%	0.29	S	S	.	.			trans	-80.6	59	-173.4	33.9	-38.6	0	0	0	111.9	G140 S144 V175	G140-P142 VanDerWaalsContact O-CD 3.28Å; G140-P142 WeakPolarHBondContact O-CD 3.32Å; P142-S144 PolarHBondContact O-N 3.03Å; P142-V175 HydrophobicContact CG-CG1 4.26Å; P142-V175 VanDerWaalsContact O-CG1 3.3Å; P142-V175 WeakPolarHBondContact O-CG1 3.32Å
143	F	98.9	Very high	98.6	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.026	29%	0.289	C	S	.	.			trans	-50.6	138.7	176.2	-74.7	-70.4	0	0	0	111.5	I90 V133 L136 E137 V141 R145 I151 C173 V175 T179	I90-F143 HydrophobicContact CG2-CE1 3.91Å; I90-F143 HydrophobicContact CG2-CZ 4.02Å; V133-F143 HydrophobicContact CG1-CE2 4.13Å; V133-F143 HydrophobicContact CG1-CZ 3.93Å; L136-F143 HydrophobicContact CB-CE2 4.34Å; E137-F143 HydrophobicContact CB-CD2 4.02Å; E137-F143 HydrophobicContact CB-CE2 4.15Å; E137-F143 HydrophobicContact CG-CD2 4.07Å; V141-F143 HydrophobicContact CB-CD2 4.03Å; V141-F143 HydrophobicContact CB-CE2 3.77Å; V141-F143 HydrophobicContact CB-CZ 4.36Å; V141-F143 HydrophobicContact CG1-CD1 4.29Å; V141-F143 HydrophobicContact CG1-CD2 3.74Å; V141-F143 HydrophobicContact CG1-CE1 4.11Å; V141-F143 HydrophobicContact CG1-CE2 3.55Å; V141-F143 HydrophobicContact CG1-CG 4.11Å; V141-F143 HydrophobicContact CG1-CZ 3.74Å; V141-F143 PolarHBondContact O-N 3.45Å; F143-R145 PolarHBondContact O-NE 3.03Å; F143-I151 HydrophobicContact CB-CB 4.39Å; F143-I151 HydrophobicContact CB-CG1 3.98Å; F143-I151 HydrophobicContact CB-CG2 3.93Å; F143-I151 HydrophobicContact CD1-CG2 4Å; F143-I151 HydrophobicContact CD2-CD1 3.83Å; F143-I151 HydrophobicContact CD2-CG1 4.13Å; F143-I151 HydrophobicContact CE2-CD1 4.21Å; F143-I151 HydrophobicContact CG-CD1 4.25Å; F143-I151 HydrophobicContact CG-CG1 4.15Å; F143-I151 HydrophobicContact CG-CG2 3.91Å; F143-C173 HydrophobicContact CD1-CB 4.19Å; F143-C173 HydrophobicContact CE1-CB 3.83Å; F143-V175 HydrophobicContact CD1-CG2 4.04Å; F143-V175 HydrophobicContact CG-CG2 4.48Å; F143-T179 HydrophobicContact CE1-CG2 4.46Å
144	S	98.7	Very high	98.5	Very high	26 Å²	26	54.3 Å²	54.3	18%	0.182	29%	0.289	C	S	.	.			trans	-57.5	150.8	168.1	-64.4	0	0	0	0	109.3	P142 Y152 A174 A176	P142-S144 PolarHBondContact O-N 3.03Å; S144-Y152 VanDerWaalsContact O-CB 3.28Å; S144-Y152 WeakPolarHBondContact O-CB 3.4Å; S144-Y152 PolarHBondContact O-N 2.95Å; S144-A174 WeakPolarHBondContact CB-O 3.46Å; S144-A174 PolarHBondContact N-O 3.24Å; S144-A176 PolarHBondContact OG-N 3.48Å
145	R	98.6	Very high	98.5	Very high	103 Å²	103	50.4 Å²	50.4	39%	0.389	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-116.2	152.9	-171.5	-57.7	-61.7	177.8	152.7	-4.3	112.6	E137 F143 G149 K150	E137-R145 IonicContact OE1-CZ 3.66Å; E137-R145 IonicContact OE1-NH1 2.7Å; E137-R145 PolarHBondContact OE1-NH1 2.9Å; E137-R145 IonicContact OE1-NH2 2.95Å; E137-R145 PolarHBondContact OE1-NH2 2.95Å; F143-R145 PolarHBondContact O-NE 3.03Å; R145-G149 WeakPolarHBondContact CD-O 3.37Å; R145-G149 PolarHBondContact NH1-O 2.89Å; R145-G149 VanDerWaalsContact NH1-O 3.1Å; R145-K150 WeakPolarHBondContact CA-O 3.19Å
146	L	98.2	Very high	98.5	Very high	39 Å²	39	48.7 Å²	48.7	20%	0.204	26%	0.262	C	S	.	.			trans	-84	168.3	159.9	-62.2	175.7	0	0	0	110.1	N96 M97 N148 G149 K150 Y152	N96-L146 HydrophobicContact CB-CD1 4.03Å; N96-L146 WeakPolarHBondContact O-CD1 3.47Å; M97-L146 HydrophobicContact CE-CD2 4.06Å; M97-L146 HydrophobicContact SD-CD1 3.65Å; M97-L146 HydrophobicContact SD-CD2 3.52Å; M97-L146 VanDerWaalsContact SD-CD2 3.52Å; M97-L146 HydrophobicContact SD-CG 4.08Å; L146-N148 WeakPolarHBondContact CB-OD1 3.44Å; L146-N148 PolarHBondContact O-N 3.49Å; L146-G149 PolarHBondContact O-N 2.94Å; L146-K150 PolarHBondContact N-O 3.33Å; L146-Y152 HydrophobicContact CD2-CD2 3.85Å
147	E	96.9	Very high	98.5	Very high	212 Å²	212	48.7 Å²	48.7	99%	0.991	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.2	176.8	-64.9	-177.9	174.1	0	0	112.7	G149	E147-G149 PolarHBondContact O-N 3.32Å
148	N	97.7	Very high	98.4	Very high	101 Å²	101	46.5 Å²	46.5	54%	0.54	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6	176.9	68	11.9	0	0	0	114.4	L146 K150	L146-N148 WeakPolarHBondContact CB-OD1 3.44Å; L146-N148 PolarHBondContact O-N 3.49Å; N148-K150 VanDerWaalsContact C-N 3.27Å; N148-K150 PolarHBondContact O-N 3.05Å; N148-K150 VanDerWaalsContact OD1-CB 3.25Å; N148-K150 WeakPolarHBondContact OD1-CB 3.45Å; N148-K150 WeakPolarHBondContact OD1-CG 3.12Å; N148-K150 PolarHBondContact OD1-N 3.46Å
149	G	98.2	Very high	98.4	Very high	42 Å²	42	41.1 Å²	41.1	43%	0.433	22%	0.224	S	C	.	.	S	Bend	trans	79.8	-3.5	179.5	0	0	0	0	0	115.6	R145 L146 E147	R145-G149 WeakPolarHBondContact CD-O 3.37Å; R145-G149 PolarHBondContact NH1-O 2.89Å; R145-G149 VanDerWaalsContact NH1-O 3.1Å; L146-G149 PolarHBondContact O-N 2.94Å; E147-G149 PolarHBondContact O-N 3.32Å
150	K	98.7	Very high	98.4	Very high	107 Å²	107	39.4 Å²	39.4	47%	0.465	22%	0.22	S	C	.	.	S	Bend	trans	-75.2	164.5	174.7	-62.6	-174	175.8	-173.3	0	111.8	N96 R145 L146 N148 Y152	N96-K150 HydrophobicContact CB-CB 4.31Å; N96-K150 HydrophobicContact CB-CD 4.45Å; N96-K150 WeakPolarHBondContact OD1-CD 3.36Å; R145-K150 WeakPolarHBondContact CA-O 3.19Å; L146-K150 PolarHBondContact N-O 3.33Å; N148-K150 VanDerWaalsContact C-N 3.27Å; N148-K150 PolarHBondContact O-N 3.05Å; N148-K150 VanDerWaalsContact OD1-CB 3.25Å; N148-K150 WeakPolarHBondContact OD1-CB 3.45Å; N148-K150 WeakPolarHBondContact OD1-CG 3.12Å; N148-K150 PolarHBondContact OD1-N 3.46Å; K150-Y152 PolarHBondContact O-N 2.9Å
151	I	98.9	Very high	98.3	Very high	11 Å²	11	39 Å²	39	6%	0.056	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-62.5	124.9	176.6	-63.9	171.1	0	0	0	109.6	L94 N96 V133 E137 F143 C173	L94-I151 HydrophobicContact CD1-CB 4.24Å; L94-I151 HydrophobicContact CD1-CD1 3.93Å; L94-I151 HydrophobicContact CD1-CG2 4.38Å; N96-I151 WeakPolarHBondContact CB-O 3.34Å; N96-I151 PolarHBondContact ND2-O 3.29Å; V133-I151 HydrophobicContact CG1-CD1 4.03Å; E137-I151 HydrophobicContact CB-CD1 4.02Å; E137-I151 HydrophobicContact CG-CD1 3.94Å; E137-I151 HydrophobicContact CG-CG1 4.24Å; F143-I151 HydrophobicContact CB-CB 4.39Å; F143-I151 HydrophobicContact CB-CG1 3.98Å; F143-I151 HydrophobicContact CB-CG2 3.93Å; F143-I151 HydrophobicContact CD1-CG2 4Å; F143-I151 HydrophobicContact CD2-CD1 3.83Å; F143-I151 HydrophobicContact CD2-CG1 4.13Å; F143-I151 HydrophobicContact CE2-CD1 4.21Å; F143-I151 HydrophobicContact CG-CD1 4.25Å; F143-I151 HydrophobicContact CG-CG1 4.15Å; F143-I151 HydrophobicContact CG-CG2 3.91Å; I151-C173 HydrophobicContact CG2-CB 3.76Å
152	Y	98.8	Very high	98.3	Very high	18 Å²	18	41.7 Å²	41.7	7%	0.071	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-65.2	134.3	170	170.4	-107.8	0	0	0	110.9	M97 S144 L146 K150 R154 A174 E297	M97-Y152 HydrophobicContact CE-CD2 4.5Å; M97-Y152 HydrophobicContact CE-CE2 4.36Å; M97-Y152 HydrophobicContact SD-CD2 4.42Å; S144-Y152 VanDerWaalsContact O-CB 3.28Å; S144-Y152 WeakPolarHBondContact O-CB 3.4Å; S144-Y152 PolarHBondContact O-N 2.95Å; L146-Y152 HydrophobicContact CD2-CD2 3.85Å; K150-Y152 PolarHBondContact O-N 2.9Å; Y152-R154 HydrophobicContact CE1-CB 3.93Å; Y152-A174 HydrophobicContact CD1-CB 4.47Å; Y152-A174 PolarHBondContact O-N 3.12Å; Y152-E297 VanDerWaalsContact OH-CD 3.28Å; Y152-E297 PolarHBondContact OH-OE1 3.11Å; Y152-E297 PolarHBondContact OH-OE2 3.41Å
153	Q	98.9	Very high	98.2	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.3	174.7	-47.5	-178.7	-97.9	0	0	109.4	A92 N96 M97 H170 R171 C172 C173	A92-Q153 PolarHBondContact O-NE2 3.02Å; N96-Q153 HydrophobicContact CB-CG 4.48Å; N96-Q153 VanDerWaalsContact CB-OE1 3.31Å; M97-Q153 HydrophobicContact CG-CB 3.72Å; M97-Q153 HydrophobicContact CG-CG 4.39Å; M97-Q153 WeakPolarHBondContact CG-O 3.24Å; M97-Q153 HydrophobicContact SD-CB 4.48Å; Q153-H170 WeakPolarHBondContact CB-O 3.49Å; Q153-R171 VanDerWaalsContact NE2-CA 3.32Å; Q153-R171 PolarHBondContact NE2-O 3.41Å; Q153-R171 VanDerWaalsContact NE2-O 3.14Å; Q153-C172 CarbonylContact C-O 3.26Å; Q153-C172 VanDerWaalsContact CA-O 3.29Å; Q153-C172 WeakPolarHBondContact CA-O 3.35Å; Q153-C173 PolarHBondContact NE2-SG 2.97Å; Q153-C173 VanDerWaalsContact NE2-SG 3.41Å
154	R	98.7	Very high	98	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	164.5	178.6	65.2	-178.9	64.1	178.5	-6.4	111.6	Y152 F156 H170 C172 A176 E297 R362	Y152-R154 HydrophobicContact CE1-CB 3.93Å; R154-F156 HydrophobicContact CG-CD2 4.42Å; R154-H170 WeakPolarHBondContact O-CA 3.46Å; R154-C172 HydrophobicContact CG-CB 3.99Å; R154-C172 PolarHBondContact N-O 3.01Å; R154-C172 WeakPolarHBondContact O-CB 3.39Å; R154-C172 PolarHBondContact O-N 2.81Å; R154-A176 VanDerWaalsContact CZ-O 3.25Å; R154-A176 PolarHBondContact NH1-O 3.17Å; R154-A176 PolarHBondContact NH2-O 3.17Å; R154-E297 IonicContact CZ-OE1 3.5Å; R154-E297 IonicContact NE-OE1 2.73Å; R154-E297 PolarHBondContact NE-OE1 2.89Å; R154-E297 IonicContact NH2-OE1 3.6Å; R154-R362 PolarHBondContact NH2-O 2.88Å; R154-R362 VanDerWaalsContact NH2-O 3.09Å
155	A	98.7	Very high	97.8	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.033	25%	0.252	C	S	.	.			trans	-67.8	152.2	167.9	0	0	0	0	0	110.7	Q168 H170 G296 L320	A155-Q168 HydrophobicContact CB-CG 3.81Å; A155-H170 PolarHBondContact N-CD2 3.39Å; A155-G296 WeakPolarHBondContact O-CA 3.45Å; A155-L320 HydrophobicContact CB-CD1 3.97Å
156	F	98.4	Very high	97.7	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	25%	0.254	C	S	.	.			trans	-151.7	165.4	176.2	-129.9	-105.8	0	0	0	110.5	R154 G158 Q168 C172 E292 G438 A439	R154-F156 HydrophobicContact CG-CD2 4.42Å; F156-G158 PolarHBondContact O-N 2.92Å; F156-Q168 PolarHBondContact O-NE2 2.99Å; F156-Q168 VanDerWaalsContact O-NE2 3.09Å; F156-C172 HydrophobicContact CB-CB 4Å; F156-C172 HydrophobicContact CD2-CB 4.09Å; F156-C172 VanDerWaalsContact CD2-SG 3.59Å; F156-C172 HydrophobicContact CG-CB 4.23Å; F156-E292 HydrophobicContact CD1-CB 4.33Å; F156-E292 HydrophobicContact CD1-CG 3.86Å; F156-E292 WeakPolarHBondContact CD1-OE1 3.46Å; F156-E292 HydrophobicContact CE1-CB 3.61Å; F156-E292 HydrophobicContact CE1-CG 3.65Å; F156-E292 WeakPolarHBondContact CE1-OE1 3.45Å; F156-E292 HydrophobicContact CE2-CB 4.19Å; F156-E292 HydrophobicContact CE2-CG 4.36Å; F156-E292 HydrophobicContact CG-CG 4.29Å; F156-E292 HydrophobicContact CZ-CB 3.54Å; F156-E292 HydrophobicContact CZ-CG 3.94Å; F156-G438 VanDerWaalsContact CD1-C 3.5Å; F156-G438 VanDerWaalsContact CD1-CA 3.49Å; F156-G438 VanDerWaalsContact CE1-CA 3.43Å; F156-A439 HydrophobicContact CD1-CB 4.41Å; F156-A439 HydrophobicContact CE1-CB 4.46Å
157	G	97.5	Very high	97.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	133.2	-171.6	0	0	0	0	0	113.4	E292 L320	G157-E292 VanDerWaalsContact CA-OE1 3.3Å; G157-E292 WeakPolarHBondContact CA-OE1 3.32Å; G157-E292 PolarHBondContact N-OE1 2.89Å; G157-L320 CarbonylContact C-O 3.56Å; G157-L320 VanDerWaalsContact CA-O 3.28Å; G157-L320 WeakPolarHBondContact CA-O 3.3Å
158	G	97.4	Very high	97.6	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	23.2	174.7	0	0	0	0	0	115.2	F156 L320	F156-G158 PolarHBondContact O-N 2.92Å; G158-L320 PolarHBondContact N-O 3.41Å
159	Q	98.7	Very high	97.7	Very high	5 Å²	5	35.8 Å²	35.8	2%	0.023	21%	0.206	C	C	.	.			trans	-110.4	130.3	-177.9	-63.6	-173.6	16.7	0	0	111.7	N91 D108 Q168 A169	N91-Q159 PolarHBondContact ND2-NE2 3.12Å; N91-Q159 PolarHBondContact OD1-NE2 3.11Å; D108-Q159 WeakPolarHBondContact OD2-CA 3.45Å; Q159-Q168 PolarHBondContact O-NE2 3.24Å; Q159-Q168 VanDerWaalsContact O-NE2 3.1Å; Q159-A169 HydrophobicContact CB-CB 4.22Å; Q159-A169 PolarHBondContact O-N 3.1Å
160	S	98.4	Very high	97.7	Very high	15 Å²	15	36.8 Å²	36.8	11%	0.105	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-140	160.4	-175.5	71.9	0	0	0	0	113.1	D108 G164 G167 R171	D108-S160 PolarHBondContact OD1-N 2.82Å; D108-S160 PolarHBondContact OD1-OG 2.83Å; D108-S160 PolarHBondContact OD2-N 2.97Å; D108-S160 VanDerWaalsContact OD2-O 3.14Å; S160-G164 WeakPolarHBondContact OG-CA 3.37Å; S160-G164 PolarHBondContact OG-N 2.99Å; S160-G164 VanDerWaalsContact OG-N 3.08Å; S160-G167 CarbonylContact C-O 3.6Å; S160-G167 WeakPolarHBondContact CA-O 3.46Å; S160-G167 WeakPolarHBondContact CB-O 3.38Å; S160-R171 PolarHBondContact O-NH2 2.79Å
161	I	97.7	Very high	97.7	Very high	40 Å²	40	31.7 Å²	31.7	21%	0.205	18%	0.177	C	C	.	.	S	Bend	trans	-100.4	159.7	168.6	51.5	164.2	0	0	0	110.9	E98 Y163 G164 R165 G166 G167 A169	E98-I161 HydrophobicContact CG-CG2 4.48Å; I161-Y163 PolarHBondContact O-N 2.8Å; I161-G164 PolarHBondContact O-N 2.62Å; I161-R165 PolarHBondContact O-N 3.35Å; I161-G166 VanDerWaalsContact CD1-O 3.25Å; I161-G166 WeakPolarHBondContact CD1-O 3.39Å; I161-G166 VanDerWaalsContact CG1-C 3.4Å; I161-G166 WeakPolarHBondContact CG1-O 3.44Å; I161-G166 PolarHBondContact O-N 3.46Å; I161-G167 PolarHBondContact N-O 3.5Å; I161-A169 HydrophobicContact CG2-CB 3.87Å
162	D	96.8	Very high	97.7	Very high	59 Å²	59	31.1 Å²	31.1	32%	0.316	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	58	-179.3	-176.3	36.9	0	0	0	113.7	G164 R165	D162-G164 PolarHBondContact O-N 3.05Å; D162-G164 VanDerWaalsContact O-N 3.11Å; D162-R165 WeakPolarHBondContact O-CB 3.21Å; D162-R165 PolarHBondContact O-N 3.24Å; D162-R165 PolarHBondContact O-NE 3.26Å; D162-R165 IonicContact OD1-CZ 3.75Å; D162-R165 IonicContact OD1-NE 3.55Å; D162-R165 IonicContact OD1-NH2 3.49Å; D162-R165 PolarHBondContact OD1-NH2 3.18Å; D162-R165 IonicContact OD2-CZ 2.81Å; D162-R165 IonicContact OD2-NE 3.59Å; D162-R165 PolarHBondContact OD2-NE 2.91Å; D162-R165 IonicContact OD2-NH2 3.34Å; D162-R165 PolarHBondContact OD2-NH2 3.01Å
163	Y	96.8	Very high	97.7	Very high	72 Å²	72	30.3 Å²	30.3	28%	0.282	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	39.7	175.6	-56.1	-83.7	0	0	0	113.9	R103 F104 Y107 I161	R103-Y163 HydrophobicContact CB-CE1 4.35Å; F104-Y163 HydrophobicContact CD1-CD1 4.35Å; F104-Y163 AromaticContact CD1-CD2 3.9Å; F104-Y163 HydrophobicContact CD1-CD2 3.9Å; F104-Y163 HydrophobicContact CD1-CE1 4.22Å; F104-Y163 AromaticContact CD1-CE2 3.79Å; F104-Y163 HydrophobicContact CD1-CE2 3.79Å; F104-Y163 HydrophobicContact CD1-CG 4.19Å; F104-Y163 AromaticContact CD1-CZ 3.94Å; F104-Y163 AromaticContact CE1-CD2 3.74Å; F104-Y163 HydrophobicContact CE1-CD2 3.74Å; F104-Y163 AromaticContact CE1-CE2 3.44Å; F104-Y163 HydrophobicContact CE1-CE2 3.44Å; F104-Y163 VanDerWaalsContact CE1-CE2 3.44Å; F104-Y163 HydrophobicContact CE1-CG 4.47Å; F104-Y163 AromaticContact CE1-CZ 3.93Å; Y107-Y163 HydrophobicContact CD2-CD1 4.15Å; Y107-Y163 WeakPolarHBondContact CE1-O 3.32Å; Y107-Y163 AromaticContact CG-CD1 3.95Å; Y107-Y163 HydrophobicContact CG-CD1 3.95Å; Y107-Y163 PolarHBondContact OH-O 2.82Å; I161-Y163 PolarHBondContact O-N 2.8Å
164	G	95.5	Very high	97.7	Very high	39 Å²	39	30.2 Å²	30.2	40%	0.402	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	1	-179.7	0	0	0	0	0	115.9	S160 I161 D162	S160-G164 WeakPolarHBondContact OG-CA 3.37Å; S160-G164 PolarHBondContact OG-N 2.99Å; S160-G164 VanDerWaalsContact OG-N 3.08Å; I161-G164 PolarHBondContact O-N 2.62Å; D162-G164 PolarHBondContact O-N 3.05Å; D162-G164 VanDerWaalsContact O-N 3.11Å
165	R	95.2	Very high	97.7	Very high	180 Å²	180	31 Å²	31	68%	0.679	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-24.4	-172.1	-57.6	179.7	-65.7	-156.2	-3.3	114.1	I161 D162	I161-R165 PolarHBondContact O-N 3.35Å; D162-R165 WeakPolarHBondContact O-CB 3.21Å; D162-R165 PolarHBondContact O-N 3.24Å; D162-R165 PolarHBondContact O-NE 3.26Å; D162-R165 IonicContact OD1-CZ 3.75Å; D162-R165 IonicContact OD1-NE 3.55Å; D162-R165 IonicContact OD1-NH2 3.49Å; D162-R165 PolarHBondContact OD1-NH2 3.18Å; D162-R165 IonicContact OD2-CZ 2.81Å; D162-R165 IonicContact OD2-NE 3.59Å; D162-R165 PolarHBondContact OD2-NE 2.91Å; D162-R165 IonicContact OD2-NH2 3.34Å; D162-R165 PolarHBondContact OD2-NH2 3.01Å
166	G	95.1	Very high	97.7	Very high	42 Å²	42	31.4 Å²	31.4	43%	0.433	18%	0.179	S	C	.	.	S	Bend	trans	-92.4	1.8	-172.3	0	0	0	0	0	115.3	I161	I161-G166 VanDerWaalsContact CD1-O 3.25Å; I161-G166 WeakPolarHBondContact CD1-O 3.39Å; I161-G166 VanDerWaalsContact CG1-C 3.4Å; I161-G166 WeakPolarHBondContact CG1-O 3.44Å; I161-G166 PolarHBondContact O-N 3.46Å
167	G	96.1	Very high	97.7	Very high	41 Å²	41	31.3 Å²	31.3	42%	0.423	18%	0.179	S	C	.	.			trans	97.7	-165.5	-177.5	0	0	0	0	0	113.8	S160 I161	S160-G167 CarbonylContact C-O 3.6Å; S160-G167 WeakPolarHBondContact CA-O 3.46Å; S160-G167 WeakPolarHBondContact CB-O 3.38Å; I161-G167 PolarHBondContact N-O 3.5Å
168	Q	98.2	Very high	97.7	Very high	62 Å²	62	36.7 Å²	36.7	29%	0.29	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-69.8	133.5	-174	178.1	64.6	57.5	0	0	111.7	A155 F156 Q159 L320	A155-Q168 HydrophobicContact CB-CG 3.81Å; F156-Q168 PolarHBondContact O-NE2 2.99Å; F156-Q168 VanDerWaalsContact O-NE2 3.09Å; Q159-Q168 PolarHBondContact O-NE2 3.24Å; Q159-Q168 VanDerWaalsContact O-NE2 3.1Å; Q168-L320 HydrophobicContact CG-CD1 4.23Å; Q168-L320 VanDerWaalsContact OE1-CD1 3.31Å
169	A	98.5	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.			trans	-93.8	155.5	172.9	0	0	0	0	0	112.7	Q159 I161 R171	Q159-A169 HydrophobicContact CB-CB 4.22Å; Q159-A169 PolarHBondContact O-N 3.1Å; I161-A169 HydrophobicContact CG2-CB 3.87Å; A169-R171 VanDerWaalsContact CB-CZ 3.46Å; A169-R171 VanDerWaalsContact CB-NH2 3.31Å
170	H	98.8	Very high	97.8	Very high	63 Å²	63	36.2 Å²	36.2	29%	0.292	20%	0.195	S	C	.	.			trans	-119.9	76.5	172.9	-52.6	88.7	0	0	0	110	M97 E98 Q153 R154 A155	M97-H170 HydrophobicContact CB-CB 3.81Å; M97-H170 HydrophobicContact CG-CB 3.73Å; E98-H170 WeakPolarHBondContact OE1-CA 3.35Å; E98-H170 WeakPolarHBondContact OE1-CB 3.45Å; E98-H170 IonicContact OE1-CG 3.52Å; E98-H170 PolarHBondContact OE1-N 3.3Å; E98-H170 IonicContact OE1-ND1 3.7Å; E98-H170 PolarHBondContact OE1-ND1 3.42Å; E98-H170 IonicContact OE2-CE1 3.88Å; E98-H170 IonicContact OE2-CG 3.71Å; E98-H170 IonicContact OE2-ND1 3.35Å; E98-H170 PolarHBondContact OE2-ND1 3.34Å; Q153-H170 WeakPolarHBondContact CB-O 3.49Å; R154-H170 WeakPolarHBondContact O-CA 3.46Å; A155-H170 PolarHBondContact N-CD2 3.39Å
171	R	98.8	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.			trans	-116.3	0.1	-179.8	70.4	174.8	67.7	92.7	-0.7	115.6	N91 A92 D100 D108 Q153 S160 A169 C173	N91-R171 WeakPolarHBondContact CA-O 3.28Å; N91-R171 HydrophobicContact CB-CG 4.48Å; A92-R171 PolarHBondContact N-O 3.01Å; A92-R171 VanDerWaalsContact N-O 3.08Å; D100-R171 IonicContact OD1-CZ 3.53Å; D100-R171 IonicContact OD1-NE 2.76Å; D100-R171 IonicContact OD1-NH2 3.86Å; D100-R171 PolarHBondContact OD1-NH2 3.35Å; D100-R171 WeakPolarHBondContact OD2-CB 3.49Å; D100-R171 IonicContact OD2-CZ 2.63Å; D100-R171 IonicContact OD2-NE 3.68Å; D100-R171 PolarHBondContact OD2-NE 3.38Å; D100-R171 IonicContact OD2-NH2 2.77Å; D100-R171 PolarHBondContact OD2-NH2 3.18Å; D108-R171 IonicContact OD2-CZ 3.52Å; D108-R171 IonicContact OD2-NH1 2.75Å; D108-R171 PolarHBondContact OD2-NH1 2.99Å; D108-R171 IonicContact OD2-NH2 3.73Å; Q153-R171 VanDerWaalsContact NE2-CA 3.32Å; Q153-R171 PolarHBondContact NE2-O 3.41Å; Q153-R171 VanDerWaalsContact NE2-O 3.14Å; S160-R171 PolarHBondContact O-NH2 2.79Å; A169-R171 VanDerWaalsContact CB-CZ 3.46Å; A169-R171 VanDerWaalsContact CB-NH2 3.31Å; R171-C173 PolarHBondContact O-N 2.98Å; R171-C173 VanDerWaalsContact O-N 3.17Å
172	C	98.9	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	96.3	179.5	-175.5	0	0	0	0	110.1	G88 G89 N91 Q153 R154 F156 A439	G88-C172 PolarHBondContact O-SG 3.3Å; G89-C172 VanDerWaalsContact CA-SG 3.52Å; N91-C172 WeakPolarHBondContact OD1-CA 3.42Å; N91-C172 WeakPolarHBondContact OD1-CB 3.46Å; Q153-C172 CarbonylContact C-O 3.26Å; Q153-C172 VanDerWaalsContact CA-O 3.29Å; Q153-C172 WeakPolarHBondContact CA-O 3.35Å; R154-C172 HydrophobicContact CG-CB 3.99Å; R154-C172 PolarHBondContact N-O 3.01Å; R154-C172 WeakPolarHBondContact O-CB 3.39Å; R154-C172 PolarHBondContact O-N 2.81Å; F156-C172 HydrophobicContact CB-CB 4Å; F156-C172 HydrophobicContact CD2-CB 4.09Å; F156-C172 VanDerWaalsContact CD2-SG 3.59Å; F156-C172 HydrophobicContact CG-CB 4.23Å; C172-A439 HydrophobicContact CB-CB 4.43Å; C172-A439 WeakPolarHBondContact SG-CB 3.22Å
173	C	98.9	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.3	177.4	-53	0	0	0	0	109.7	G89 I90 V133 F143 I151 Q153 R171	G89-C173 CarbonylContact C-O 3.58Å; G89-C173 WeakPolarHBondContact CA-O 3.47Å; I90-C173 HydrophobicContact CG2-CB 3.98Å; I90-C173 PolarHBondContact N-O 3.47Å; I90-C173 VanDerWaalsContact O-CB 3.3Å; I90-C173 WeakPolarHBondContact O-CB 3.34Å; I90-C173 PolarHBondContact O-N 2.92Å; V133-C173 HydrophobicContact CG1-CB 4.25Å; F143-C173 HydrophobicContact CD1-CB 4.19Å; F143-C173 HydrophobicContact CE1-CB 3.83Å; I151-C173 HydrophobicContact CG2-CB 3.76Å; Q153-C173 PolarHBondContact NE2-SG 2.97Å; Q153-C173 VanDerWaalsContact NE2-SG 3.41Å; R171-C173 PolarHBondContact O-N 2.98Å; R171-C173 VanDerWaalsContact O-N 3.17Å
174	A	98.8	Very high	98.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.			trans	-136.8	148.7	-169	0	0	0	0	0	114.1	S144 Y152	S144-A174 WeakPolarHBondContact CB-O 3.46Å; S144-A174 PolarHBondContact N-O 3.24Å; Y152-A174 HydrophobicContact CD1-CB 4.47Å; Y152-A174 PolarHBondContact O-N 3.12Å
175	V	98.8	Very high	98.2	Very high	17 Å²	17	33.6 Å²	33.6	10%	0.103	17%	0.172	C	C	.	.	S	Bend	trans	-108	84	163.9	-175.6	0	0	0	0	107	V141 P142 F143 D177 R178 T179 S182	V141-V175 HydrophobicContact CG1-CG2 3.87Å; P142-V175 HydrophobicContact CG-CG1 4.26Å; P142-V175 VanDerWaalsContact O-CG1 3.3Å; P142-V175 WeakPolarHBondContact O-CG1 3.32Å; F143-V175 HydrophobicContact CD1-CG2 4.04Å; F143-V175 HydrophobicContact CG-CG2 4.48Å; V175-D177 PolarHBondContact O-N 2.89Å; V175-D177 VanDerWaalsContact O-N 3.11Å; V175-R178 PolarHBondContact O-N 2.92Å; V175-T179 HydrophobicContact CG2-CG2 4.4Å; V175-T179 PolarHBondContact N-OG1 3.1Å; V175-S182 WeakPolarHBondContact CG1-OG 3.49Å
176	A	98.4	Very high	98.4	Very high	14 Å²	14	26 Å²	26	12%	0.116	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.2	-121.2	-164.4	0	0	0	0	0	109.9	S144 R154 R362 P364	S144-A176 PolarHBondContact OG-N 3.48Å; R154-A176 VanDerWaalsContact CZ-O 3.25Å; R154-A176 PolarHBondContact NH1-O 3.17Å; R154-A176 PolarHBondContact NH2-O 3.17Å; A176-R362 CarbonylContact C-O 3.6Å; A176-P364 HydrophobicContact CB-CG 3.97Å
177	D	98.4	Very high	98.6	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	30.5	172	61.9	-10.1	0	0	0	112.8	Q87 V175 T291 R362 L363 P364 G365 I366	Q87-D177 WeakPolarHBondContact CA-O 3.35Å; Q87-D177 WeakPolarHBondContact CB-O 3.27Å; Q87-D177 WeakPolarHBondContact CG-O 3.25Å; Q87-D177 CarbonylContact O-C 3.55Å; V175-D177 PolarHBondContact O-N 2.89Å; V175-D177 VanDerWaalsContact O-N 3.11Å; D177-T291 HydrophobicContact CB-CG2 4.09Å; D177-R362 PolarHBondContact N-O 3.06Å; D177-L363 HydrophobicContact CB-CD2 4.35Å; D177-L363 VanDerWaalsContact OD2-CA 3.29Å; D177-L363 WeakPolarHBondContact OD2-CA 3.37Å; D177-P364 VanDerWaalsContact OD1-CD 3.24Å; D177-P364 WeakPolarHBondContact OD1-CD 3.21Å; D177-P364 WeakPolarHBondContact OD1-CG 3.41Å; D177-G365 VanDerWaalsContact CG-N 3.25Å; D177-G365 WeakPolarHBondContact OD1-CA 3.44Å; D177-G365 PolarHBondContact OD1-N 2.92Å; D177-G365 WeakPolarHBondContact OD2-CA 3.38Å; D177-G365 PolarHBondContact OD2-N 2.78Å; D177-I366 WeakPolarHBondContact OD2-CG1 3.21Å; D177-I366 PolarHBondContact OD2-N 3.5Å
178	R	98.5	Very high	98.7	Very high	113 Å²	113	24.2 Å²	24.2	43%	0.426	11%	0.113	S	C	.	.			trans	-126	30.4	179.3	-60.3	-172.4	179.6	110.2	-2.1	112.4	V175 G180 H181 S182	V175-R178 PolarHBondContact O-N 2.92Å; R178-G180 VanDerWaalsContact C-N 3.32Å; R178-G180 PolarHBondContact O-N 2.83Å; R178-H181 HydrophobicContact CB-CB 4.31Å; R178-H181 WeakPolarHBondContact O-CB 3.5Å; R178-H181 PolarHBondContact O-N 2.7Å; R178-H181 VanDerWaalsContact O-N 3.15Å; R178-S182 PolarHBondContact O-N 3.31Å; R178-S182 VanDerWaalsContact O-N 3.1Å
179	T	98.8	Very high	98.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-40.6	-171.7	-48.5	0	0	0	0	113	Q87 I90 F143 V175 S182 L183 L442	Q87-T179 WeakPolarHBondContact O-CB 3.36Å; Q87-T179 PolarHBondContact O-N 3.38Å; Q87-T179 PolarHBondContact O-OG1 3.04Å; I90-T179 HydrophobicContact CG2-CG2 4.43Å; F143-T179 HydrophobicContact CE1-CG2 4.46Å; V175-T179 HydrophobicContact CG2-CG2 4.4Å; V175-T179 PolarHBondContact N-OG1 3.1Å; T179-S182 PolarHBondContact O-N 2.87Å; T179-L183 WeakPolarHBondContact O-CB 3.47Å; T179-L183 PolarHBondContact O-N 3.46Å; T179-L442 HydrophobicContact CG2-CD1 4.14Å
180	G	98.6	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.3	-41.4	176.7	0	0	0	0	0	113.7	T83 A86 R178 L184	T83-G180 CarbonylContact O-C 3.52Å; T83-G180 VanDerWaalsContact O-C 3.29Å; T83-G180 WeakPolarHBondContact O-CA 3.29Å; A86-G180 WeakPolarHBondContact O-CA 3.31Å; A86-G180 PolarHBondContact O-N 3.05Å; R178-G180 VanDerWaalsContact C-N 3.32Å; R178-G180 PolarHBondContact O-N 2.83Å; G180-L184 VanDerWaalsContact O-CB 3.31Å; G180-L184 WeakPolarHBondContact O-CB 3.41Å; G180-L184 PolarHBondContact O-N 3.43Å
181	H	98.7	Very high	98.7	Very high	79 Å²	79	22.8 Å²	22.8	37%	0.366	12%	0.115	S	C	.	.	H	α-helix	trans	-58	-54.3	174.4	169.6	81.6	0	0	0	110.4	V84 R178 L183 L184 H185	V84-H181 HydrophobicContact CG2-CB 4.2Å; V84-H181 WeakPolarHBondContact O-CA 3.38Å; V84-H181 WeakPolarHBondContact O-CB 3.42Å; V84-H181 PolarHBondContact O-N 3.33Å; V84-H181 VanDerWaalsContact O-N 3.11Å; R178-H181 HydrophobicContact CB-CB 4.31Å; R178-H181 WeakPolarHBondContact O-CB 3.5Å; R178-H181 PolarHBondContact O-N 2.7Å; R178-H181 VanDerWaalsContact O-N 3.15Å; H181-L183 PolarHBondContact O-N 2.93Å; H181-L184 PolarHBondContact O-N 2.89Å; H181-H185 AromaticContact CE1-CD2 3.29Å; H181-H185 PolarHBondContact CE1-CD2 3Å; H181-H185 AromaticContact CE1-NE2 3.31Å; H181-H185 PolarHBondContact CE1-NE2 2.77Å; H181-H185 VanDerWaalsContact CE1-NE2 3.31Å; H181-H185 AromaticContact ND1-CD2 3.43Å; H181-H185 PolarHBondContact ND1-CD2 3.27Å; H181-H185 AromaticContact ND1-NE2 3.6Å; H181-H185 AromaticContact NE2-CD2 3.86Å; H181-H185 WeakPolarHBondContact O-CB 3.2Å; H181-H185 PolarHBondContact O-CD2 2.69Å; H181-H185 VanDerWaalsContact O-CD2 3.28Å; H181-H185 PolarHBondContact O-N 3.47Å
182	S	98.8	Very high	98.7	Very high	15 Å²	15	27.9 Å²	27.9	11%	0.105	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-41.6	-179	-66.9	0	0	0	0	112.9	V175 R178 T179 T186	V175-S182 WeakPolarHBondContact CG1-OG 3.49Å; R178-S182 PolarHBondContact O-N 3.31Å; R178-S182 VanDerWaalsContact O-N 3.1Å; T179-S182 PolarHBondContact O-N 2.87Å; S182-T186 VanDerWaalsContact O-CB 3.31Å; S182-T186 WeakPolarHBondContact O-CB 3.48Å; S182-T186 PolarHBondContact O-N 3.3Å; S182-T186 PolarHBondContact O-OG1 2.88Å
183	L	98.7	Very high	98.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-49.8	176.6	-177.1	154.9	0	0	0	110.9	T83 I90 L136 T179 H181 T186 L187 L442 V446	T83-L183 HydrophobicContact CG2-CD2 4.09Å; I90-L183 HydrophobicContact CD1-CD1 4.37Å; L136-L183 HydrophobicContact CD1-CD1 3.78Å; L136-L183 HydrophobicContact CD1-CG 4.36Å; L136-L183 HydrophobicContact CD2-CG 4.4Å; T179-L183 WeakPolarHBondContact O-CB 3.47Å; T179-L183 PolarHBondContact O-N 3.46Å; H181-L183 PolarHBondContact O-N 2.93Å; L183-T186 PolarHBondContact O-N 3Å; L183-L187 HydrophobicContact CD2-CD1 3.45Å; L183-L187 VanDerWaalsContact CD2-CD1 3.45Å; L183-L187 HydrophobicContact CD2-CG 4.15Å; L183-L187 HydrophobicContact CG-CD1 4.33Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 3.32Å; L183-L442 HydrophobicContact CD1-CB 4.3Å; L183-L442 HydrophobicContact CD1-CD1 4.33Å; L183-L442 HydrophobicContact CD1-CD2 4.5Å; L183-V446 HydrophobicContact CD1-CG1 4.36Å
184	L	98.8	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-42.7	-176.2	-171.7	67.4	0	0	0	112.2	L57 T83 V84 G180 H181 T186 L187 Y188	L57-L184 HydrophobicContact CD1-CD1 3.7Å; T83-L184 HydrophobicContact CG2-CB 4.16Å; T83-L184 HydrophobicContact CG2-CD1 4.18Å; V84-L184 HydrophobicContact CB-CD2 3.68Å; V84-L184 HydrophobicContact CG2-CD2 4.3Å; G180-L184 VanDerWaalsContact O-CB 3.31Å; G180-L184 WeakPolarHBondContact O-CB 3.41Å; G180-L184 PolarHBondContact O-N 3.43Å; H181-L184 PolarHBondContact O-N 2.89Å; L184-T186 VanDerWaalsContact C-N 3.31Å; L184-T186 PolarHBondContact O-N 3.01Å; L184-L187 PolarHBondContact O-N 2.87Å; L184-Y188 WeakPolarHBondContact O-CB 3.32Å; L184-Y188 PolarHBondContact O-N 3.4Å
185	H	98.9	Very high	98.4	Very high	76 Å²	76	45.5 Å²	45.5	35%	0.352	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-37.7	175.3	-85.9	-86.5	0	0	0	112.2	H181 G189	H181-H185 AromaticContact CE1-CD2 3.29Å; H181-H185 PolarHBondContact CE1-CD2 3Å; H181-H185 AromaticContact CE1-NE2 3.31Å; H181-H185 PolarHBondContact CE1-NE2 2.77Å; H181-H185 VanDerWaalsContact CE1-NE2 3.31Å; H181-H185 AromaticContact ND1-CD2 3.43Å; H181-H185 PolarHBondContact ND1-CD2 3.27Å; H181-H185 AromaticContact ND1-NE2 3.6Å; H181-H185 AromaticContact NE2-CD2 3.86Å; H181-H185 WeakPolarHBondContact O-CB 3.2Å; H181-H185 PolarHBondContact O-CD2 2.69Å; H181-H185 VanDerWaalsContact O-CD2 3.28Å; H181-H185 PolarHBondContact O-N 3.47Å; H185-G189 PolarHBondContact O-N 3.26Å
186	T	98.9	Very high	98.3	Very high	20 Å²	20	45.2 Å²	45.2	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-44.7	177	-55.4	0	0	0	0	111.5	V141 S182 L183 L184 Y188 G189 R190	V141-T186 HydrophobicContact CG2-CG2 3.68Å; S182-T186 VanDerWaalsContact O-CB 3.31Å; S182-T186 WeakPolarHBondContact O-CB 3.48Å; S182-T186 PolarHBondContact O-N 3.3Å; S182-T186 PolarHBondContact O-OG1 2.88Å; L183-T186 PolarHBondContact O-N 3Å; L184-T186 VanDerWaalsContact C-N 3.31Å; L184-T186 PolarHBondContact O-N 3.01Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 3.34Å; T186-G189 PolarHBondContact O-N 3.16Å; T186-R190 VanDerWaalsContact O-CB 3.31Å; T186-R190 WeakPolarHBondContact O-CB 3.4Å; T186-R190 PolarHBondContact O-N 2.7Å
187	L	98.8	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-39.7	176.3	-70.1	178.8	0	0	0	111.9	L57 F61 L136 Y139 L183 L184 R190 S191 V446	L57-L187 HydrophobicContact CB-CB 4.17Å; L57-L187 HydrophobicContact CD1-CB 4.09Å; F61-L187 HydrophobicContact CE1-CD2 3.78Å; F61-L187 HydrophobicContact CZ-CD2 4.01Å; L136-L187 HydrophobicContact CD2-CD2 3.74Å; L136-L187 HydrophobicContact CD2-CG 4.28Å; Y139-L187 HydrophobicContact CD2-CD2 4.45Å; L183-L187 HydrophobicContact CD2-CD1 3.45Å; L183-L187 VanDerWaalsContact CD2-CD1 3.45Å; L183-L187 HydrophobicContact CD2-CG 4.15Å; L183-L187 HydrophobicContact CG-CD1 4.33Å; L183-L187 WeakPolarHBondContact O-CG 3.48Å; L183-L187 PolarHBondContact O-N 3.32Å; L184-L187 PolarHBondContact O-N 2.87Å; L187-R190 PolarHBondContact O-N 3.15Å; L187-S191 WeakPolarHBondContact O-CB 3.44Å; L187-S191 PolarHBondContact O-N 3.33Å; L187-V446 HydrophobicContact CD1-CG1 4.27Å
188	Y	98.8	Very high	98.3	Very high	46 Å²	46	49.2 Å²	49.2	18%	0.18	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-47	174	179.2	-113.3	0	0	0	111.3	F77 P78 T79 L184 T186 R190 S191 L192	F77-Y188 HydrophobicContact CE1-CE1 4.19Å; F77-Y188 AromaticContact CZ-CE1 3.7Å; F77-Y188 HydrophobicContact CZ-CE1 3.7Å; F77-Y188 HydrophobicContact CZ-CE2 4.32Å; F77-Y188 AromaticContact CZ-CZ 3.52Å; F77-Y188 VanDerWaalsContact CZ-OH 3.31Å; F77-Y188 WeakPolarHBondContact CZ-OH 3.46Å; P78-Y188 HydrophobicContact CB-CD2 3.72Å; P78-Y188 HydrophobicContact CB-CE2 4.09Å; P78-Y188 HydrophobicContact CB-CG 4.43Å; P78-Y188 HydrophobicContact CG-CD2 3.94Å; P78-Y188 HydrophobicContact CG-CE2 3.82Å; T79-Y188 HydrophobicContact CG2-CD1 3.7Å; T79-Y188 HydrophobicContact CG2-CE1 4.48Å; T79-Y188 HydrophobicContact CG2-CG 3.83Å; L184-Y188 WeakPolarHBondContact O-CB 3.32Å; L184-Y188 PolarHBondContact O-N 3.4Å; T186-Y188 VanDerWaalsContact C-N 3.33Å; T186-Y188 PolarHBondContact O-N 3.34Å; Y188-R190 VanDerWaalsContact C-N 3.25Å; Y188-R190 PolarHBondContact O-N 2.79Å; Y188-S191 PolarHBondContact O-N 2.79Å; Y188-S191 PolarHBondContact O-OG 3.14Å; Y188-L192 HydrophobicContact CE1-CD1 4.11Å; Y188-L192 HydrophobicContact CE2-CD2 4.16Å; Y188-L192 WeakPolarHBondContact O-CG 3.46Å; Y188-L192 PolarHBondContact O-N 3.49Å
189	G	98.7	Very high	98.4	Very high	39 Å²	39	45 Å²	45	40%	0.402	22%	0.221	S	C	.	.	H	α-helix	trans	-59.1	-37.6	174.8	0	0	0	0	0	112.8	H185 T186	H185-G189 PolarHBondContact O-N 3.26Å; T186-G189 PolarHBondContact O-N 3.16Å
190	R	98.3	Very high	98.4	Very high	56 Å²	56	47.6 Å²	47.6	21%	0.211	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-41.6	176.2	-178.8	62.4	-173	-170	6	112	F61 Y139 T186 L187 Y188 L192 R193 Y194	F61-R190 HydrophobicContact CE1-CG 4.45Å; F61-R190 HydrophobicContact CE2-CG 4.34Å; F61-R190 HydrophobicContact CZ-CG 4.23Å; Y139-R190 HydrophobicContact CD1-CG 4.19Å; Y139-R190 HydrophobicContact CD2-CB 4.44Å; Y139-R190 HydrophobicContact CD2-CG 3.97Å; Y139-R190 HydrophobicContact CE1-CG 4.3Å; Y139-R190 HydrophobicContact CE2-CG 4.07Å; Y139-R190 HydrophobicContact CG-CG 4.03Å; T186-R190 VanDerWaalsContact O-CB 3.31Å; T186-R190 WeakPolarHBondContact O-CB 3.4Å; T186-R190 PolarHBondContact O-N 2.7Å; L187-R190 PolarHBondContact O-N 3.15Å; Y188-R190 VanDerWaalsContact C-N 3.25Å; Y188-R190 PolarHBondContact O-N 2.79Å; R190-L192 PolarHBondContact O-N 3.38Å; R190-R193 WeakPolarHBondContact O-CB 3.27Å; R190-R193 PolarHBondContact O-N 3.26Å; R190-R193 VanDerWaalsContact O-N 3.11Å; R190-Y194 HydrophobicContact CG-CE2 4.26Å; R190-Y194 PolarHBondContact NH2-OH 2.63Å; R190-Y194 WeakPolarHBondContact O-CD2 3.27Å
191	S	98.4	Very high	98.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-29.1	-176.6	71.8	0	0	0	0	112.9	L187 Y188 R193 Y194 Y198	L187-S191 WeakPolarHBondContact O-CB 3.44Å; L187-S191 PolarHBondContact O-N 3.33Å; Y188-S191 PolarHBondContact O-N 2.79Å; Y188-S191 PolarHBondContact O-OG 3.14Å; S191-R193 PolarHBondContact O-N 2.93Å; S191-Y194 PolarHBondContact O-N 3.19Å; S191-Y194 VanDerWaalsContact O-N 3.08Å; S191-Y198 WeakPolarHBondContact CB-OH 3.34Å; S191-Y198 PolarHBondContact OG-OH 3.3Å
192	L	98.1	Very high	98.4	Very high	106 Å²	106	48.4 Å²	48.4	56%	0.555	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-7.9	173.9	-61.7	176.3	0	0	0	114.2	Y188 R190 Y194	Y188-L192 HydrophobicContact CE1-CD1 4.11Å; Y188-L192 HydrophobicContact CE2-CD2 4.16Å; Y188-L192 WeakPolarHBondContact O-CG 3.46Å; Y188-L192 PolarHBondContact O-N 3.49Å; R190-L192 PolarHBondContact O-N 3.38Å; L192-Y194 VanDerWaalsContact C-N 3.34Å
193	R	98	Very high	98.4	Very high	187 Å²	187	47.9 Å²	47.9	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5	174.7	-58.6	-171.8	66.8	166.2	-0.3	113.6	R190 S191	R190-R193 WeakPolarHBondContact O-CB 3.27Å; R190-R193 PolarHBondContact O-N 3.26Å; R190-R193 VanDerWaalsContact O-N 3.11Å; S191-R193 PolarHBondContact O-N 2.93Å
194	Y	97.9	Very high	98.4	Very high	44 Å²	44	48.3 Å²	48.3	17%	0.173	24%	0.235	C	C	.	.	S	Bend	trans	-121.5	155.5	-174.2	-61.3	-80.1	0	0	0	111	F61 N65 R190 S191 L192 A196	F61-Y194 HydrophobicContact CB-CD2 3.67Å; F61-Y194 HydrophobicContact CB-CE2 4.14Å; F61-Y194 HydrophobicContact CB-CG 4.26Å; F61-Y194 HydrophobicContact CD2-CD2 4.22Å; F61-Y194 AromaticContact CD2-CE2 3.78Å; F61-Y194 HydrophobicContact CD2-CE2 3.78Å; F61-Y194 HydrophobicContact CG-CD2 4.21Å; F61-Y194 HydrophobicContact CG-CE2 4.2Å; N65-Y194 HydrophobicContact CB-CD1 4.04Å; N65-Y194 HydrophobicContact CB-CE1 3.55Å; N65-Y194 WeakPolarHBondContact OD1-CE1 3.42Å; N65-Y194 PolarHBondContact OD1-OH 3.27Å; R190-Y194 HydrophobicContact CG-CE2 4.26Å; R190-Y194 PolarHBondContact NH2-OH 2.63Å; R190-Y194 WeakPolarHBondContact O-CD2 3.27Å; S191-Y194 PolarHBondContact O-N 3.19Å; S191-Y194 VanDerWaalsContact O-N 3.08Å; L192-Y194 VanDerWaalsContact C-N 3.34Å; Y194-A196 PolarHBondContact O-N 2.77Å
195	D	95.5	Very high	98.4	Very high	140 Å²	140	48.6 Å²	48.6	75%	0.749	24%	0.237	S	C	*	.			trans	-83.9	48.3	-179.8	-162.8	25.2	0	0	0	112.4
196	A	96.7	Very high	98.4	Very high	11 Å²	11	46 Å²	46	9%	0.091	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-82.3	130.1	169.2	0	0	0	0	0	109.2	A64 I72 Y194 Y198	A64-A196 HydrophobicContact CB-CB 4.06Å; I72-A196 HydrophobicContact CD1-CB 3.75Å; I72-A196 HydrophobicContact CG1-CB 4.34Å; Y194-A196 PolarHBondContact O-N 2.77Å; A196-Y198 HydrophobicContact CB-CE2 4.27Å; A196-Y198 WeakPolarHBondContact O-CD2 3.44Å
197	T	98.5	Very high	98.4	Very high	52 Å²	52	45.7 Å²	45.7	32%	0.319	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120	177.3	-52.5	0	0	0	0	110.1	F45 T70 A71 I72 F199	F45-T197 HydrophobicContact CZ-CG2 4.16Å; T70-T197 PolarHBondContact O-N 3.18Å; A71-T197 CarbonylContact C-O 3.55Å; A71-T197 WeakPolarHBondContact CA-O 3.5Å; I72-T197 PolarHBondContact N-O 3.5Å; T197-F199 HydrophobicContact CG2-CD2 4.27Å; T197-F199 HydrophobicContact CG2-CE2 3.51Å; T197-F199 HydrophobicContact CG2-CZ 3.85Å
198	Y	98.8	Very high	98.4	Very high	48 Å²	48	45.9 Å²	45.9	19%	0.188	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.2	178.6	-78.1	-93.7	0	0	0	111.8	L57 I72 P78 S191 A196 I200	L57-Y198 HydrophobicContact CD2-CE1 4.01Å; L57-Y198 WeakPolarHBondContact CD2-OH 3.41Å; I72-Y198 HydrophobicContact CB-CD1 4.01Å; I72-Y198 HydrophobicContact CB-CE1 3.96Å; I72-Y198 HydrophobicContact CD1-CE1 3.86Å; I72-Y198 HydrophobicContact CD1-CE2 4.1Å; I72-Y198 WeakPolarHBondContact CD1-OH 3.31Å; I72-Y198 HydrophobicContact CG2-CD1 4.07Å; I72-Y198 HydrophobicContact CG2-CE1 3.8Å; I72-Y198 WeakPolarHBondContact O-CA 3.45Å; P78-Y198 HydrophobicContact CG-CD1 4.29Å; P78-Y198 HydrophobicContact CG-CE1 4.13Å; S191-Y198 WeakPolarHBondContact CB-OH 3.34Å; S191-Y198 PolarHBondContact OG-OH 3.3Å; A196-Y198 HydrophobicContact CB-CE2 4.27Å; A196-Y198 WeakPolarHBondContact O-CD2 3.44Å; Y198-I200 HydrophobicContact CD1-CG1 4.49Å
199	F	98.9	Very high	98.3	Very high	24 Å²	24	46.3 Å²	46.3	11%	0.105	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	88.3	167.8	-65.6	-92.4	0	0	0	107.2	H43 F45 A71 I72 I73 T74 T197 Y202 F230	H43-F199 AromaticContact CE1-CE1 3.89Å; H43-F199 AromaticContact ND1-CZ 3.9Å; F45-F199 AromaticContact CE2-CE2 3.89Å; F45-F199 HydrophobicContact CE2-CE2 3.89Å; F45-F199 HydrophobicContact CE2-CZ 4.08Å; F45-F199 AromaticContact CZ-CE2 3.75Å; F45-F199 HydrophobicContact CZ-CE2 3.75Å; F45-F199 HydrophobicContact CZ-CZ 4.05Å; A71-F199 HydrophobicContact CB-CD2 4.08Å; A71-F199 HydrophobicContact CB-CE2 3.92Å; I72-F199 PolarHBondContact O-N 3.11Å; I73-F199 HydrophobicContact CB-CB 4.46Å; I73-F199 HydrophobicContact CG1-CB 4.25Å; I73-F199 HydrophobicContact CG1-CD2 4.42Å; I73-F199 HydrophobicContact CG2-CB 4.26Å; T74-F199 PolarHBondContact N-O 3.47Å; T197-F199 HydrophobicContact CG2-CD2 4.27Å; T197-F199 HydrophobicContact CG2-CE2 3.51Å; T197-F199 HydrophobicContact CG2-CZ 3.85Å; F199-Y202 HydrophobicContact CB-CD1 4.2Å; F199-Y202 HydrophobicContact CB-CD2 3.92Å; F199-Y202 HydrophobicContact CB-CE1 4.46Å; F199-Y202 HydrophobicContact CB-CE2 4.23Å; F199-Y202 HydrophobicContact CB-CG 3.91Å; F199-Y202 HydrophobicContact CD1-CD1 4.46Å; F199-Y202 AromaticContact CD1-CE1 3.95Å; F199-Y202 HydrophobicContact CD1-CE1 3.95Å; F199-Y202 HydrophobicContact CD1-CE2 4.3Å; F199-Y202 AromaticContact CD1-CZ 3.87Å; F199-F230 HydrophobicContact CB-CZ 4.35Å; F199-F230 AromaticContact CD1-CE1 3.74Å; F199-F230 HydrophobicContact CD1-CE1 3.74Å; F199-F230 AromaticContact CD1-CZ 3.66Å; F199-F230 HydrophobicContact CD1-CZ 3.66Å; F199-F230 AromaticContact CD2-CE1 3.67Å; F199-F230 HydrophobicContact CD2-CE1 3.67Å; F199-F230 HydrophobicContact CD2-CZ 4.19Å; F199-F230 AromaticContact CE1-CE1 3.66Å; F199-F230 HydrophobicContact CE1-CE1 3.66Å; F199-F230 AromaticContact CE1-CZ 3.95Å; F199-F230 HydrophobicContact CE1-CZ 3.95Å; F199-F230 HydrophobicContact CE2-CD1 4.39Å; F199-F230 AromaticContact CE2-CE1 3.6Å; F199-F230 HydrophobicContact CE2-CE1 3.6Å; F199-F230 HydrophobicContact CE2-CZ 4.45Å; F199-F230 AromaticContact CG-CE1 3.75Å; F199-F230 HydrophobicContact CG-CE1 3.75Å; F199-F230 AromaticContact CG-CZ 3.79Å; F199-F230 HydrophobicContact CG-CZ 3.79Å; F199-F230 AromaticContact CZ-CE1 3.6Å; F199-F230 HydrophobicContact CZ-CE1 3.6Å; F199-F230 HydrophobicContact CZ-CZ 4.35Å
200	I	98.8	Very high	98.1	Very high	55 Å²	55	45.6 Å²	45.6	28%	0.282	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.4	-174.3	-58.8	179	0	0	0	109.5	T74 F77 Y198 Y202	T74-I200 HydrophobicContact CG2-CG1 4.42Å; T74-I200 CarbonylContact O-C 3.57Å; F77-I200 HydrophobicContact CB-CG2 4.32Å; F77-I200 HydrophobicContact CD2-CD1 4.11Å; F77-I200 HydrophobicContact CD2-CG2 4.25Å; F77-I200 HydrophobicContact CE2-CD1 4.25Å; Y198-I200 HydrophobicContact CD1-CG1 4.49Å; I200-Y202 VanDerWaalsContact C-N 3.32Å; I200-Y202 WeakPolarHBondContact O-CD2 3.44Å
201	E	98.8	Very high	97.8	Very high	66 Å²	66	49.5 Å²	49.5	31%	0.308	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	47.2	-176.3	-68.7	169.8	154.6	0	0	111.1	T74 L222 W544	T74-E201 WeakPolarHBondContact O-CA 3.38Å; T74-E201 PolarHBondContact O-N 2.81Å; E201-L222 HydrophobicContact CB-CB 4.44Å; E201-L222 HydrophobicContact CB-CD1 4.21Å; E201-L222 VanDerWaalsContact O-CB 3.24Å; E201-L222 WeakPolarHBondContact O-CB 3.35Å; E201-L222 WeakPolarHBondContact O-CG 3.31Å; E201-L222 PolarHBondContact O-N 3.26Å; E201-W544 HydrophobicContact CB-CZ2 4.37Å; E201-W544 VanDerWaalsContact CD-CZ2 3.48Å; E201-W544 HydrophobicContact CG-CH2 4.19Å; E201-W544 HydrophobicContact CG-CZ2 4.29Å; E201-W544 WeakPolarHBondContact OE1-CH2 3.39Å; E201-W544 WeakPolarHBondContact OE2-CZ2 3.38Å
202	Y	98.9	Very high	97.5	Very high	30 Å²	30	51.9 Å²	51.9	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.5	168.3	-83.5	-120.7	0	0	0	109.1	I73 T74 K75 F199 I200 A219 V220 C221 H228 F230	I73-Y202 HydrophobicContact CG2-CG 4.44Å; T74-Y202 CarbonylContact C-O 3.33Å; T74-Y202 VanDerWaalsContact C-O 3.26Å; T74-Y202 PolarHBondContact O-N 3.46Å; K75-Y202 VanDerWaalsContact CA-O 3.27Å; K75-Y202 WeakPolarHBondContact CA-O 3.35Å; K75-Y202 PolarHBondContact N-O 2.88Å; F199-Y202 HydrophobicContact CB-CD1 4.2Å; F199-Y202 HydrophobicContact CB-CD2 3.92Å; F199-Y202 HydrophobicContact CB-CE1 4.46Å; F199-Y202 HydrophobicContact CB-CE2 4.23Å; F199-Y202 HydrophobicContact CB-CG 3.91Å; F199-Y202 HydrophobicContact CD1-CD1 4.46Å; F199-Y202 AromaticContact CD1-CE1 3.95Å; F199-Y202 HydrophobicContact CD1-CE1 3.95Å; F199-Y202 HydrophobicContact CD1-CE2 4.3Å; F199-Y202 AromaticContact CD1-CZ 3.87Å; I200-Y202 VanDerWaalsContact C-N 3.32Å; I200-Y202 WeakPolarHBondContact O-CD2 3.44Å; Y202-A219 HydrophobicContact CD1-CB 4.36Å; Y202-V220 CarbonylContact C-O 3.51Å; Y202-V220 VanDerWaalsContact CA-O 3.27Å; Y202-V220 WeakPolarHBondContact CA-O 3.07Å; Y202-C221 HydrophobicContact CD1-CB 4.19Å; Y202-C221 HydrophobicContact CD2-CB 4.4Å; Y202-C221 HydrophobicContact CE1-CB 3.63Å; Y202-C221 HydrophobicContact CE2-CB 3.85Å; Y202-C221 VanDerWaalsContact CE2-SG 3.51Å; Y202-C221 VanDerWaalsContact CZ-CB 3.44Å; Y202-C221 VanDerWaalsContact CZ-SG 3.52Å; Y202-C221 PolarHBondContact OH-SG 3Å; Y202-H228 HydrophobicContact CE1-CB 4.3Å; Y202-H228 AromaticContact CE1-CD2 3.68Å; Y202-H228 AromaticContact CE1-CE1 3.6Å; Y202-H228 AromaticContact CE1-CG 3.65Å; Y202-H228 AromaticContact CE1-ND1 3.57Å; Y202-H228 AromaticContact CE1-NE2 3.66Å; Y202-H228 AromaticContact CZ-CE1 3.86Å; Y202-H228 AromaticContact CZ-NE2 3.98Å; Y202-H228 PolarHBondContact OH-CE1 3.45Å; Y202-H228 PolarHBondContact OH-NE2 3.12Å; Y202-F230 HydrophobicContact CD1-CE2 4.25Å; Y202-F230 HydrophobicContact CD1-CZ 4.1Å; Y202-F230 HydrophobicContact CE1-CZ 4.13Å
203	F	98.9	Very high	97.4	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.7	177.4	-171.2	-77.8	0	0	0	109.6	K75 L205 A219 V220 L222 M549 L552 E553	K75-F203 HydrophobicContact CB-CD2 4.19Å; K75-F203 HydrophobicContact CD-CD2 3.96Å; K75-F203 HydrophobicContact CD-CE2 4.04Å; F203-L205 HydrophobicContact CD1-CD2 3.85Å; F203-L205 HydrophobicContact CE1-CD2 4.19Å; F203-A219 CarbonylContact O-C 3.55Å; F203-A219 WeakPolarHBondContact O-CA 3.46Å; F203-A219 WeakPolarHBondContact O-CB 3.22Å; F203-V220 HydrophobicContact CB-CG1 3.79Å; F203-V220 PolarHBondContact N-O 3.31Å; F203-V220 PolarHBondContact O-N 3.34Å; F203-L222 HydrophobicContact CB-CD2 4.13Å; F203-M549 HydrophobicContact CB-SD 3.78Å; F203-M549 HydrophobicContact CD1-SD 4.32Å; F203-M549 HydrophobicContact CD2-SD 4.09Å; F203-M549 HydrophobicContact CG-SD 3.81Å; F203-L552 HydrophobicContact CD1-CD1 4.32Å; F203-L552 HydrophobicContact CE1-CB 3.94Å; F203-L552 HydrophobicContact CE1-CD1 4.18Å; F203-L552 HydrophobicContact CZ-CB 3.98Å; F203-E553 HydrophobicContact CE2-CG 3.7Å; F203-E553 HydrophobicContact CZ-CG 4Å
204	V	98.9	Very high	97.5	Very high	10 Å²	10	41.6 Å²	41.6	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.8	178.4	-172.7	0	0	0	0	109.7	V50 I73 V217 I218 A219 M262	V50-V204 HydrophobicContact CB-CG2 4.49Å; V50-V204 HydrophobicContact CG1-CB 3.93Å; V50-V204 HydrophobicContact CG1-CG1 4.37Å; V50-V204 HydrophobicContact CG1-CG2 3.5Å; V50-V204 VanDerWaalsContact CG1-CG2 3.5Å; V50-V204 HydrophobicContact CG2-CG2 4.2Å; I73-V204 HydrophobicContact CB-CG2 4.28Å; I73-V204 HydrophobicContact CG2-CG2 3.65Å; V204-V217 HydrophobicContact CG1-CB 3.6Å; V204-V217 HydrophobicContact CG1-CG1 4.09Å; V204-V217 HydrophobicContact CG1-CG2 3.85Å; V204-V217 HydrophobicContact CG2-CG2 4.45Å; V204-I218 WeakPolarHBondContact CG1-O 3.14Å; V204-A219 HydrophobicContact CB-CB 4.44Å; V204-A219 HydrophobicContact CG2-CB 4.05Å; V204-M262 HydrophobicContact CB-CE 4.42Å; V204-M262 HydrophobicContact CB-SD 4.17Å; V204-M262 HydrophobicContact CG1-CE 4.14Å; V204-M262 HydrophobicContact CG1-SD 3.51Å; V204-M262 VanDerWaalsContact CG1-SD 3.51Å
205	L	98.9	Very high	97.5	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-51.4	-175.9	-55.8	173.4	0	0	0	111.2	F203 I218 V220 L227 M262 R265 Y481 L552	F203-L205 HydrophobicContact CD1-CD2 3.85Å; F203-L205 HydrophobicContact CE1-CD2 4.19Å; L205-I218 HydrophobicContact CB-CG2 4.29Å; L205-I218 PolarHBondContact N-O 3.06Å; L205-V220 HydrophobicContact CD2-CG1 4.43Å; L205-L227 HydrophobicContact CD1-CD2 3.98Å; L205-M262 WeakPolarHBondContact O-CG 3.28Å; L205-R265 PolarHBondContact O-NH2 3.47Å; L205-Y481 HydrophobicContact CD1-CD2 4.29Å; L205-Y481 HydrophobicContact CD2-CD2 4.16Å; L205-L552 HydrophobicContact CD2-CD1 3.77Å; L205-L552 HydrophobicContact CD2-CD2 4.19Å
206	D	98.9	Very high	97.6	Very high	21 Å²	21	34.8 Å²	34.8	11%	0.112	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.8	-173.5	-78.9	-57.1	0	0	0	113.4	V217 I218 R265 S477	D206-V217 WeakPolarHBondContact O-CA 3.37Å; D206-I218 HydrophobicContact CB-CG2 4.12Å; D206-I218 PolarHBondContact O-N 2.97Å; D206-R265 WeakPolarHBondContact OD1-CD 3.25Å; D206-R265 IonicContact OD1-CZ 2.84Å; D206-R265 IonicContact OD1-NE 3.92Å; D206-R265 PolarHBondContact OD1-NE 2.88Å; D206-R265 IonicContact OD1-NH2 3.3Å; D206-R265 IonicContact OD2-NE 2.88Å; D206-S477 VanDerWaalsContact CB-OG 3.28Å; D206-S477 WeakPolarHBondContact CB-OG 3.28Å; D206-S477 WeakPolarHBondContact OD2-CB 3.24Å; D206-S477 PolarHBondContact OD2-OG 2.79Å
207	L	98.9	Very high	97.7	Very high	14 Å²	14	34.2 Å²	34.2	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.7	165	-62.2	177.8	0	0	0	110.8	M209 V217 T235 L237 M262 V263 A266 L420	L207-M209 HydrophobicContact CB-CG 3.97Å; L207-M209 HydrophobicContact CB-SD 3.87Å; L207-M209 HydrophobicContact CD1-SD 4.02Å; L207-M209 PolarHBondContact O-N 3.38Å; L207-V217 HydrophobicContact CD2-CG1 3.88Å; L207-T235 HydrophobicContact CD2-CG2 4.3Å; L207-L237 HydrophobicContact CD1-CD1 4.45Å; L207-L237 HydrophobicContact CD2-CD1 4.2Å; L207-L237 HydrophobicContact CD2-CD2 4.06Å; L207-L237 HydrophobicContact CD2-CG 4.47Å; L207-M262 HydrophobicContact CG-CB 4.29Å; L207-V263 HydrophobicContact CD1-CG2 4.24Å; L207-A266 HydrophobicContact CD1-CB 4.13Å; L207-L420 HydrophobicContact CD1-CD1 4.11Å; L207-L420 HydrophobicContact CD1-CD2 3.82Å; L207-L420 HydrophobicContact CD2-CD1 3.98Å
208	L	98.5	Very high	97.7	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	90.5	170.4	-58.1	175.2	0	0	0	108.9	R215 G216 V217 I218 R229 L469 T473	L208-R215 PolarHBondContact O-N 3.27Å; L208-G216 PolarHBondContact N-O 2.94Å; L208-V217 WeakPolarHBondContact CD1-O 3.24Å; L208-I218 HydrophobicContact CD2-CB 4.02Å; L208-I218 HydrophobicContact CD2-CG2 4.02Å; L208-R229 HydrophobicContact CD1-CB 4.11Å; L208-R229 HydrophobicContact CD1-CG 4.44Å; L208-L469 HydrophobicContact CB-CD2 4.29Å; L208-L469 HydrophobicContact CD1-CD1 3.75Å; L208-L469 HydrophobicContact CD1-CD2 4.27Å; L208-T473 HydrophobicContact CB-CG2 3.92Å; L208-T473 HydrophobicContact CD2-CG2 3.73Å; L208-T473 HydrophobicContact CG-CG2 4.23Å
209	M	96.8	Very high	97.7	Very high	54 Å²	54	29.5 Å²	29.5	27%	0.266	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.1	-177.8	-59	-60	-67.4	0	0	111.6	L207 E213 C214 A266 L268 V417	L207-M209 HydrophobicContact CB-CG 3.97Å; L207-M209 HydrophobicContact CB-SD 3.87Å; L207-M209 HydrophobicContact CD1-SD 4.02Å; L207-M209 PolarHBondContact O-N 3.38Å; M209-E213 WeakPolarHBondContact CA-O 3.31Å; M209-C214 HydrophobicContact SD-CB 3.86Å; M209-A266 HydrophobicContact CG-CB 3.72Å; M209-A266 HydrophobicContact SD-CB 4.33Å; M209-L268 HydrophobicContact CE-CD1 4.15Å; M209-V417 HydrophobicContact CE-CG1 4.12Å
210	E	94.4	Very high	97.7	Very high	24 Å²	24	28.4 Å²	28.4	11%	0.112	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	130.2	172.3	-170	172.1	-159.7	0	0	110.2	G212 E213 R215 K470	E210-G212 PolarHBondContact O-N 3.32Å; E210-G212 VanDerWaalsContact O-N 3.08Å; E210-E213 PolarHBondContact N-O 3.13Å; E210-E213 WeakPolarHBondContact O-CB 3.28Å; E210-E213 PolarHBondContact O-N 3.36Å; E210-R215 WeakPolarHBondContact OE2-CD 3.17Å; E210-R215 IonicContact OE2-CZ 2.81Å; E210-R215 IonicContact OE2-NE 3.85Å; E210-R215 IonicContact OE2-NH1 3.04Å; E210-R215 PolarHBondContact OE2-NH1 2.85Å; E210-K470 WeakPolarHBondContact OE1-CD 3.28Å; E210-K470 WeakPolarHBondContact OE1-CE 3.47Å; E210-K470 WeakPolarHBondContact OE1-CG 3.19Å; E210-K470 IonicContact OE1-NZ 3.23Å; E210-K470 PolarHBondContact OE1-NZ 2.83Å
211	N	91.4	Very high	97.7	Very high	138 Å²	138	25.9 Å²	25.9	74%	0.738	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	30.5	179.7	-54.8	-32	0	0	0	114.6	E213	N211-E213 VanDerWaalsContact C-N 3.33Å
212	G	92.9	Very high	97.7	Very high	51 Å²	51	23.5 Å²	23.5	53%	0.526	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	7.7	-177.6	0	0	0	0	0	115	E210	E210-G212 PolarHBondContact O-N 3.32Å; E210-G212 VanDerWaalsContact O-N 3.08Å
213	E	96.9	Very high	97.7	Very high	74 Å²	74	29 Å²	29	35%	0.346	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.5	177	-50.5	-177.3	147.4	0	0	110.5	M209 E210 N211 R215 P418	M209-E213 WeakPolarHBondContact CA-O 3.31Å; E210-E213 PolarHBondContact N-O 3.13Å; E210-E213 WeakPolarHBondContact O-CB 3.28Å; E210-E213 PolarHBondContact O-N 3.36Å; N211-E213 VanDerWaalsContact C-N 3.33Å; E213-R215 IonicContact OE2-CZ 3.34Å; E213-R215 IonicContact OE2-NE 3.03Å; E213-R215 IonicContact OE2-NH2 2.8Å; E213-R215 PolarHBondContact OE2-NH2 3.33Å; E213-P418 HydrophobicContact CB-CB 4.29Å; E213-P418 HydrophobicContact CG-CB 3.97Å; E213-P418 HydrophobicContact CG-CG 4.14Å
214	C	98.4	Very high	97.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.6	168.6	-176.9	0	0	0	0	109.8	M209 P418 L420	M209-C214 HydrophobicContact SD-CB 3.86Å; C214-P418 PolarHBondContact N-O 2.71Å; C214-L420 HydrophobicContact CB-CB 3.77Å; C214-L420 HydrophobicContact CB-CD1 4.1Å; C214-L420 HydrophobicContact CB-CG 4.36Å
215	R	98.2	Very high	97.5	Very high	40 Å²	40	32.1 Å²	32.1	15%	0.151	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	13.5	-178.2	-61.2	-172.4	168.8	-151.9	-9.1	113.2	L208 E210 E213 R231 S232 P467 E468 L469	L208-R215 PolarHBondContact O-N 3.27Å; E210-R215 WeakPolarHBondContact OE2-CD 3.17Å; E210-R215 IonicContact OE2-CZ 2.81Å; E210-R215 IonicContact OE2-NE 3.85Å; E210-R215 IonicContact OE2-NH1 3.04Å; E210-R215 PolarHBondContact OE2-NH1 2.85Å; E213-R215 IonicContact OE2-CZ 3.34Å; E213-R215 IonicContact OE2-NE 3.03Å; E213-R215 IonicContact OE2-NH2 2.8Å; E213-R215 PolarHBondContact OE2-NH2 3.33Å; R215-R231 WeakPolarHBondContact O-CA 3.43Å; R215-S232 CarbonylContact C-O 3.55Å; R215-S232 VanDerWaalsContact C-O 3.29Å; R215-S232 PolarHBondContact O-N 2.88Å; R215-P467 HydrophobicContact CB-CB 4.22Å; R215-P467 HydrophobicContact CB-CG 3.78Å; R215-P467 HydrophobicContact CG-CB 3.85Å; R215-P467 HydrophobicContact CG-CG 3.87Å; R215-E468 PolarHBondContact NH1-O 2.9Å; R215-L469 HydrophobicContact CB-CD2 3.7Å
216	G	98.6	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129	-157.9	-176.2	0	0	0	0	0	114.1	L208 F230 T235	L208-G216 PolarHBondContact N-O 2.94Å; G216-F230 CarbonylContact C-O 3.5Å; G216-F230 WeakPolarHBondContact CA-O 3.49Å; G216-T235 WeakPolarHBondContact CA-OG1 3.3Å
217	V	98.9	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.5	-179.2	-57.2	0	0	0	0	112.4	V48 V50 I73 V204 D206 L207 L208 F230 T235	V48-V217 HydrophobicContact CG1-CG2 4.04Å; V50-V217 HydrophobicContact CG2-CG1 3.98Å; V50-V217 HydrophobicContact CG2-CG2 4.22Å; I73-V217 HydrophobicContact CD1-CG2 3.73Å; V204-V217 HydrophobicContact CG1-CB 3.6Å; V204-V217 HydrophobicContact CG1-CG1 4.09Å; V204-V217 HydrophobicContact CG1-CG2 3.85Å; V204-V217 HydrophobicContact CG2-CG2 4.45Å; D206-V217 WeakPolarHBondContact O-CA 3.37Å; L207-V217 HydrophobicContact CD2-CG1 3.88Å; L208-V217 WeakPolarHBondContact CD1-O 3.24Å; V217-F230 HydrophobicContact CG2-CB 4.07Å; V217-F230 HydrophobicContact CG2-CD2 4.22Å; V217-F230 PolarHBondContact N-O 3.3Å; V217-F230 VanDerWaalsContact N-O 3.12Å; V217-F230 PolarHBondContact O-N 3.31Å; V217-T235 HydrophobicContact CG1-CG2 3.78Å
218	I	98.8	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	137	167	-178.2	169.1	0	0	0	110.1	V204 L205 D206 L208 H228 R229 I478	V204-I218 WeakPolarHBondContact CG1-O 3.14Å; L205-I218 HydrophobicContact CB-CG2 4.29Å; L205-I218 PolarHBondContact N-O 3.06Å; D206-I218 HydrophobicContact CB-CG2 4.12Å; D206-I218 PolarHBondContact O-N 2.97Å; L208-I218 HydrophobicContact CD2-CB 4.02Å; L208-I218 HydrophobicContact CD2-CG2 4.02Å; I218-H228 CarbonylContact C-O 3.52Å; I218-H228 VanDerWaalsContact CA-O 3.28Å; I218-H228 WeakPolarHBondContact CA-O 3.49Å; I218-R229 HydrophobicContact CB-CG 4.34Å; I218-R229 HydrophobicContact CD1-CG 4.2Å; I218-R229 HydrophobicContact CG1-CG 4.19Å; I218-I478 HydrophobicContact CD1-CD1 4.05Å; I218-I478 HydrophobicContact CD1-CG1 3.74Å
219	A	98.9	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.3	-178.6	0	0	0	0	0	111.8	Y202 F203 V204 L227 H228 F230	Y202-A219 HydrophobicContact CD1-CB 4.36Å; F203-A219 CarbonylContact O-C 3.55Å; F203-A219 WeakPolarHBondContact O-CA 3.46Å; F203-A219 WeakPolarHBondContact O-CB 3.22Å; V204-A219 HydrophobicContact CB-CB 4.44Å; V204-A219 HydrophobicContact CG2-CB 4.05Å; A219-L227 CarbonylContact O-C 3.58Å; A219-L227 WeakPolarHBondContact O-CA 3.12Å; A219-H228 PolarHBondContact N-O 3.5Å; A219-H228 PolarHBondContact O-N 3.01Å; A219-F230 HydrophobicContact CB-CD2 4.46Å; A219-F230 HydrophobicContact CB-CE2 4Å
220	V	98.6	Very high	97.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.5	167.5	59.8	0	0	0	0	109.8	Y202 F203 L205 L222 T226 L227 Y481 M549	Y202-V220 CarbonylContact C-O 3.51Å; Y202-V220 VanDerWaalsContact CA-O 3.27Å; Y202-V220 WeakPolarHBondContact CA-O 3.07Å; F203-V220 HydrophobicContact CB-CG1 3.79Å; F203-V220 PolarHBondContact N-O 3.31Å; F203-V220 PolarHBondContact O-N 3.34Å; L205-V220 HydrophobicContact CD2-CG1 4.43Å; V220-L222 HydrophobicContact CG1-CD2 4.23Å; V220-T226 WeakPolarHBondContact CA-O 3.41Å; V220-L227 HydrophobicContact CB-CD2 3.88Å; V220-L227 HydrophobicContact CG2-CD2 4.27Å; V220-Y481 HydrophobicContact CB-CE2 4.08Å; V220-Y481 HydrophobicContact CG1-CE2 4.01Å; V220-Y481 HydrophobicContact CG2-CE2 3.94Å; V220-M549 HydrophobicContact CG1-CE 4.14Å; V220-M549 HydrophobicContact CG1-SD 4.1Å
221	C	98.7	Very high	97.6	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.6	168.4	178.2	0	0	0	0	108.8	Y202 E223 D224 G225 T226	Y202-C221 HydrophobicContact CD1-CB 4.19Å; Y202-C221 HydrophobicContact CD2-CB 4.4Å; Y202-C221 HydrophobicContact CE1-CB 3.63Å; Y202-C221 HydrophobicContact CE2-CB 3.85Å; Y202-C221 VanDerWaalsContact CE2-SG 3.51Å; Y202-C221 VanDerWaalsContact CZ-CB 3.44Å; Y202-C221 VanDerWaalsContact CZ-SG 3.52Å; Y202-C221 PolarHBondContact OH-SG 3Å; C221-E223 VanDerWaalsContact C-N 3.27Å; C221-E223 PolarHBondContact O-N 2.93Å; C221-D224 WeakPolarHBondContact CB-OD1 3.21Å; C221-D224 VanDerWaalsContact SG-CG 3.58Å; C221-D224 PolarHBondContact SG-OD1 2.79Å; C221-G225 VanDerWaalsContact O-CA 3.28Å; C221-G225 WeakPolarHBondContact O-CA 3.47Å; C221-G225 PolarHBondContact O-N 3.2Å; C221-T226 PolarHBondContact N-O 3.47Å
222	L	98.4	Very high	97.9	Very high	16 Å²	16	24.7 Å²	24.7	8%	0.084	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.9	-177	-59.1	-178.5	0	0	0	112.4	E201 F203 V220 W544 M549	E201-L222 HydrophobicContact CB-CB 4.44Å; E201-L222 HydrophobicContact CB-CD1 4.21Å; E201-L222 VanDerWaalsContact O-CB 3.24Å; E201-L222 WeakPolarHBondContact O-CB 3.35Å; E201-L222 WeakPolarHBondContact O-CG 3.31Å; E201-L222 PolarHBondContact O-N 3.26Å; F203-L222 HydrophobicContact CB-CD2 4.13Å; V220-L222 HydrophobicContact CG1-CD2 4.23Å; L222-W544 HydrophobicContact CB-CD2 4.49Å; L222-W544 PolarHBondContact O-N 3.29Å; L222-M549 HydrophobicContact CD2-CE 4.24Å; L222-M549 HydrophobicContact CD2-CG 3.66Å; L222-M549 HydrophobicContact CD2-SD 3.41Å; L222-M549 WeakPolarHBondContact CD2-SD 3.31Å
223	E	98.2	Very high	98.1	Very high	147 Å²	147	25.6 Å²	25.6	69%	0.687	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-31.8	-176	-172.9	175.4	-149.8	0	0	113.6	C221 I543	C221-E223 VanDerWaalsContact C-N 3.27Å; C221-E223 PolarHBondContact O-N 2.93Å; E223-I543 WeakPolarHBondContact O-CG2 3.27Å
224	D	97.4	Very high	98.2	Very high	75 Å²	75	22.4 Å²	22.4	40%	0.401	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-5.9	-176.4	66.9	22.8	0	0	0	114.6	C221 T226	C221-D224 WeakPolarHBondContact CB-OD1 3.21Å; C221-D224 VanDerWaalsContact SG-CG 3.58Å; C221-D224 PolarHBondContact SG-OD1 2.79Å; D224-T226 PolarHBondContact O-N 2.96Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.29Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.45Å; D224-T226 PolarHBondContact OD1-N 2.81Å; D224-T226 PolarHBondContact OD1-OG1 3.35Å; D224-T226 PolarHBondContact OD2-OG1 2.9Å
225	G	96.4	Very high	98.2	Very high	4 Å²	4	22.2 Å²	22.2	4%	0.041	10%	0.104	C	C	.	.			trans	71.7	10.9	178.3	0	0	0	0	0	114.7	C221 K542	C221-G225 VanDerWaalsContact O-CA 3.28Å; C221-G225 WeakPolarHBondContact O-CA 3.47Å; C221-G225 PolarHBondContact O-N 3.2Å; G225-K542 WeakPolarHBondContact CA-O 3.4Å
226	T	97.7	Very high	98.3	Very high	23 Å²	23	20.3 Å²	20.3	14%	0.141	10%	0.097	C	C	.	.			trans	-77.6	154.3	175.8	61.9	0	0	0	0	111.7	V220 C221 D224 H228	V220-T226 WeakPolarHBondContact CA-O 3.41Å; C221-T226 PolarHBondContact N-O 3.47Å; D224-T226 PolarHBondContact O-N 2.96Å; D224-T226 VanDerWaalsContact OD1-CB 3.3Å; D224-T226 WeakPolarHBondContact OD1-CB 3.29Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.45Å; D224-T226 PolarHBondContact OD1-N 2.81Å; D224-T226 PolarHBondContact OD1-OG1 3.35Å; D224-T226 PolarHBondContact OD2-OG1 2.9Å; T226-H228 PolarHBondContact OG1-CD2 3.47Å; T226-H228 PolarHBondContact OG1-NE2 3.03Å
227	L	97.9	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.1	178.7	-69.9	168.9	0	0	0	110	Y38 T39 I40 I41 L205 A219 V220 I478	Y38-L227 HydrophobicContact CD1-CD1 3.71Å; Y38-L227 HydrophobicContact CD1-CG 4.22Å; Y38-L227 HydrophobicContact CD2-CD1 4.47Å; Y38-L227 HydrophobicContact CE1-CD1 4.44Å; Y38-L227 HydrophobicContact CG-CD1 3.73Å; T39-L227 PolarHBondContact O-N 3.3Å; I40-L227 CarbonylContact C-O 3.59Å; I40-L227 VanDerWaalsContact CA-O 3.3Å; I40-L227 WeakPolarHBondContact CA-O 3.4Å; I40-L227 HydrophobicContact CG1-CB 4.49Å; I41-L227 PolarHBondContact N-O 2.81Å; L205-L227 HydrophobicContact CD1-CD2 3.98Å; A219-L227 CarbonylContact O-C 3.58Å; A219-L227 WeakPolarHBondContact O-CA 3.12Å; V220-L227 HydrophobicContact CB-CD2 3.88Å; V220-L227 HydrophobicContact CG2-CD2 4.27Å; L227-I478 HydrophobicContact CD1-CB 4.27Å; L227-I478 HydrophobicContact CD1-CD1 3.92Å; L227-I478 HydrophobicContact CD1-CG1 3.82Å; L227-I478 HydrophobicContact CD1-CG2 3.75Å
228	H	98.5	Very high	98.3	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.028	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.6	-172.7	-71.8	-124.1	0	0	0	110.5	I41 H43 Y202 I218 A219 T226 F230	I41-H228 CarbonylContact O-C 3.19Å; I41-H228 VanDerWaalsContact O-CA 3.25Å; I41-H228 WeakPolarHBondContact O-CA 3.31Å; H43-H228 AromaticContact CD2-ND1 3.62Å; H43-H228 AromaticContact CE1-ND1 3.72Å; H43-H228 AromaticContact NE2-CE1 3.63Å; H43-H228 AromaticContact NE2-CG 3.77Å; H43-H228 AromaticContact NE2-ND1 2.82Å; H43-H228 PolarHBondContact NE2-ND1 3.09Å; Y202-H228 HydrophobicContact CE1-CB 4.3Å; Y202-H228 AromaticContact CE1-CD2 3.68Å; Y202-H228 AromaticContact CE1-CE1 3.6Å; Y202-H228 AromaticContact CE1-CG 3.65Å; Y202-H228 AromaticContact CE1-ND1 3.57Å; Y202-H228 AromaticContact CE1-NE2 3.66Å; Y202-H228 AromaticContact CZ-CE1 3.86Å; Y202-H228 AromaticContact CZ-NE2 3.98Å; Y202-H228 PolarHBondContact OH-CE1 3.45Å; Y202-H228 PolarHBondContact OH-NE2 3.12Å; I218-H228 CarbonylContact C-O 3.52Å; I218-H228 VanDerWaalsContact CA-O 3.28Å; I218-H228 WeakPolarHBondContact CA-O 3.49Å; A219-H228 PolarHBondContact N-O 3.5Å; A219-H228 PolarHBondContact O-N 3.01Å; T226-H228 PolarHBondContact OG1-CD2 3.47Å; T226-H228 PolarHBondContact OG1-NE2 3.03Å; H228-F230 HydrophobicContact CB-CD2 4.1Å; H228-F230 HydrophobicContact CB-CE2 3.36Å; H228-F230 HydrophobicContact CB-CZ 3.79Å
229	R	98.5	Very high	98.3	Very high	11 Å²	11	22.2 Å²	22.2	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120	169.2	-61.7	-174.7	-61.9	-171.2	-1.7	109.3	I40 I41 D42 H43 L208 I218 L469 P471 T473	I40-R229 HydrophobicContact CG2-CG 4.11Å; I41-R229 PolarHBondContact O-N 3.23Å; D42-R229 VanDerWaalsContact CG-NH2 3.3Å; D42-R229 WeakPolarHBondContact OD1-CB 3.42Å; D42-R229 IonicContact OD1-CZ 3.47Å; D42-R229 VanDerWaalsContact OD1-CZ 3.23Å; D42-R229 IonicContact OD1-NE 2.96Å; D42-R229 PolarHBondContact OD1-NE 2.84Å; D42-R229 IonicContact OD1-NH2 3.64Å; D42-R229 PolarHBondContact OD1-NH2 2.98Å; D42-R229 IonicContact OD2-CZ 3.73Å; D42-R229 IonicContact OD2-NH2 2.71Å; D42-R229 PolarHBondContact OD2-NH2 3.17Å; H43-R229 PolarHBondContact N-O 2.91Å; L208-R229 HydrophobicContact CD1-CB 4.11Å; L208-R229 HydrophobicContact CD1-CG 4.44Å; I218-R229 HydrophobicContact CB-CG 4.34Å; I218-R229 HydrophobicContact CD1-CG 4.2Å; I218-R229 HydrophobicContact CG1-CG 4.19Å; R229-L469 HydrophobicContact CB-CD1 4.48Å; R229-P471 PolarHBondContact NH1-O 3.24Å; R229-T473 WeakPolarHBondContact CD-O 3.46Å; R229-T473 PolarHBondContact NH1-O 3.35Å
230	F	98.6	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	93.2	-180	-64.4	-91.7	0	0	0	109.5	H43 F45 V48 A71 I73 F199 Y202 G216 V217 A219 H228	H43-F230 HydrophobicContact CB-CD1 3.71Å; H43-F230 HydrophobicContact CB-CE1 4.13Å; H43-F230 HydrophobicContact CB-CG 4.39Å; H43-F230 AromaticContact CD2-CE1 3.76Å; H43-F230 AromaticContact CG-CD1 3.84Å; H43-F230 AromaticContact CG-CE1 3.74Å; F45-F230 HydrophobicContact CD2-CD1 4.41Å; F45-F230 HydrophobicContact CE2-CD1 4.34Å; V48-F230 HydrophobicContact CG2-CB 3.84Å; A71-F230 HydrophobicContact CB-CD1 4.49Å; I73-F230 HydrophobicContact CD1-CB 4.02Å; I73-F230 HydrophobicContact CD1-CD1 3.82Å; I73-F230 HydrophobicContact CD1-CD2 3.44Å; I73-F230 VanDerWaalsContact CD1-CD2 3.44Å; I73-F230 HydrophobicContact CD1-CE1 4.09Å; I73-F230 HydrophobicContact CD1-CE2 3.71Å; I73-F230 HydrophobicContact CD1-CG 3.48Å; I73-F230 VanDerWaalsContact CD1-CG 3.48Å; I73-F230 HydrophobicContact CD1-CZ 4.03Å; I73-F230 HydrophobicContact CG1-CD1 4.5Å; I73-F230 HydrophobicContact CG1-CE1 4.43Å; I73-F230 HydrophobicContact CG1-CE2 4.49Å; I73-F230 HydrophobicContact CG1-CZ 4.41Å; F199-F230 HydrophobicContact CB-CZ 4.35Å; F199-F230 AromaticContact CD1-CE1 3.74Å; F199-F230 HydrophobicContact CD1-CE1 3.74Å; F199-F230 AromaticContact CD1-CZ 3.66Å; F199-F230 HydrophobicContact CD1-CZ 3.66Å; F199-F230 AromaticContact CD2-CE1 3.67Å; F199-F230 HydrophobicContact CD2-CE1 3.67Å; F199-F230 HydrophobicContact CD2-CZ 4.19Å; F199-F230 AromaticContact CE1-CE1 3.66Å; F199-F230 HydrophobicContact CE1-CE1 3.66Å; F199-F230 AromaticContact CE1-CZ 3.95Å; F199-F230 HydrophobicContact CE1-CZ 3.95Å; F199-F230 HydrophobicContact CE2-CD1 4.39Å; F199-F230 AromaticContact CE2-CE1 3.6Å; F199-F230 HydrophobicContact CE2-CE1 3.6Å; F199-F230 HydrophobicContact CE2-CZ 4.45Å; F199-F230 AromaticContact CG-CE1 3.75Å; F199-F230 HydrophobicContact CG-CE1 3.75Å; F199-F230 AromaticContact CG-CZ 3.79Å; F199-F230 HydrophobicContact CG-CZ 3.79Å; F199-F230 AromaticContact CZ-CE1 3.6Å; F199-F230 HydrophobicContact CZ-CE1 3.6Å; F199-F230 HydrophobicContact CZ-CZ 4.35Å; Y202-F230 HydrophobicContact CD1-CE2 4.25Å; Y202-F230 HydrophobicContact CD1-CZ 4.1Å; Y202-F230 HydrophobicContact CE1-CZ 4.13Å; G216-F230 CarbonylContact C-O 3.5Å; G216-F230 WeakPolarHBondContact CA-O 3.49Å; V217-F230 HydrophobicContact CG2-CB 4.07Å; V217-F230 HydrophobicContact CG2-CD2 4.22Å; V217-F230 PolarHBondContact N-O 3.3Å; V217-F230 VanDerWaalsContact N-O 3.12Å; V217-F230 PolarHBondContact O-N 3.31Å; A219-F230 HydrophobicContact CB-CD2 4.46Å; A219-F230 HydrophobicContact CB-CE2 4Å; H228-F230 HydrophobicContact CB-CD2 4.1Å; H228-F230 HydrophobicContact CB-CE2 3.36Å; H228-F230 HydrophobicContact CB-CZ 3.79Å
231	R	98.1	Very high	98.3	Very high	65 Å²	65	23.3 Å²	23.3	25%	0.245	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.2	178.7	-169.2	173.5	67.8	82.7	-0.8	109.9	H43 S44 F45 R215 G466 P467 L469	H43-R231 WeakPolarHBondContact O-CB 3.41Å; H43-R231 PolarHBondContact O-N 2.99Å; S44-R231 PolarHBondContact OG-NH2 3.26Å; F45-R231 PolarHBondContact N-O 3.03Å; F45-R231 VanDerWaalsContact N-O 3.1Å; R215-R231 WeakPolarHBondContact O-CA 3.43Å; R231-G466 VanDerWaalsContact NH1-C 3.33Å; R231-G466 PolarHBondContact NH1-O 2.77Å; R231-G466 VanDerWaalsContact NH1-O 3.13Å; R231-P467 WeakPolarHBondContact CD-O 3.3Å; R231-P467 HydrophobicContact CG-CG 4.39Å; R231-P467 WeakPolarHBondContact CG-O 3.18Å; R231-P467 PolarHBondContact NH1-O 2.94Å; R231-L469 HydrophobicContact CB-CD1 3.88Å; R231-L469 HydrophobicContact CB-CG 4.36Å; R231-L469 HydrophobicContact CG-CD1 3.93Å; R231-L469 HydrophobicContact CG-CD2 4.4Å; R231-L469 HydrophobicContact CG-CG 3.83Å
232	S	98.1	Very high	98.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.121	C	C	.	.			trans	-153.6	157.7	177.6	64.3	0	0	0	0	112.5	F45 V48 R215 N234 T235 P467	F45-S232 VanDerWaalsContact O-CA 3.31Å; F45-S232 WeakPolarHBondContact O-CA 3.33Å; F45-S232 WeakPolarHBondContact O-CB 3.37Å; V48-S232 WeakPolarHBondContact CG2-OG 3.45Å; R215-S232 CarbonylContact C-O 3.55Å; R215-S232 VanDerWaalsContact C-O 3.29Å; R215-S232 PolarHBondContact O-N 2.88Å; S232-N234 PolarHBondContact OG-O 3.12Å; S232-T235 PolarHBondContact OG-OG1 3.46Å; S232-T235 VanDerWaalsContact OG-OG1 3.13Å; S232-P467 WeakPolarHBondContact O-CG 3.16Å
233	K	97.2	Very high	98.3	Very high	70 Å²	70	22.6 Å²	22.6	30%	0.304	12%	0.117	S	C	.	.	S	Bend	trans	-77.6	-29.2	175.1	-165.8	-179.6	-172	-160.2	0	111.6	D46 G419 N460 D464	D46-K233 PolarHBondContact O-N 3.03Å; K233-G419 WeakPolarHBondContact O-CA 3.35Å; K233-N460 VanDerWaalsContact CD-OD1 3.31Å; K233-N460 WeakPolarHBondContact CD-OD1 3.48Å; K233-N460 WeakPolarHBondContact CE-OD1 3.42Å; K233-N460 PolarHBondContact NZ-OD1 2.69Å; K233-D464 HydrophobicContact CD-CB 4.22Å; K233-D464 IonicContact NZ-OD2 2.73Å; K233-D464 PolarHBondContact NZ-OD2 3.23Å
234	N	98.6	Very high	98.4	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.032	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.5	179.7	-58.7	-84.6	0	0	0	110.5	D46 A47 V48 S232 G419 Y421 I456 N460	D46-N234 PolarHBondContact O-N 3.41Å; A47-N234 CarbonylContact C-O 3.58Å; A47-N234 WeakPolarHBondContact CA-O 3.39Å; A47-N234 HydrophobicContact CB-CB 4.48Å; V48-N234 PolarHBondContact N-O 3.25Å; S232-N234 PolarHBondContact OG-O 3.12Å; N234-G419 CarbonylContact C-O 3.29Å; N234-G419 WeakPolarHBondContact CA-O 3.31Å; N234-Y421 HydrophobicContact CB-CE2 4.34Å; N234-I456 HydrophobicContact CB-CD1 3.77Å; N234-I456 HydrophobicContact CB-CG1 4.01Å; N234-I456 HydrophobicContact CB-CG2 4.25Å; N234-N460 PolarHBondContact ND2-ND2 3.13Å
235	T	98.9	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.1	175.5	-65.4	0	0	0	0	109.7	V48 L207 G216 V217 S232 L237 G419 L420 Y421	V48-T235 CarbonylContact O-C 3.29Å; V48-T235 VanDerWaalsContact O-CA 3.29Å; V48-T235 WeakPolarHBondContact O-CA 3.43Å; L207-T235 HydrophobicContact CD2-CG2 4.3Å; G216-T235 WeakPolarHBondContact CA-OG1 3.3Å; V217-T235 HydrophobicContact CG1-CG2 3.78Å; S232-T235 PolarHBondContact OG-OG1 3.46Å; S232-T235 VanDerWaalsContact OG-OG1 3.13Å; T235-L237 HydrophobicContact CG2-CD2 4.37Å; T235-G419 PolarHBondContact N-O 3.44Å; T235-L420 HydrophobicContact CG2-CD1 4.24Å; T235-Y421 PolarHBondContact O-N 3.22Å
236	V	99	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.4	177.3	-173	0	0	0	0	109.6	V48 V49 V50 A59 L63 Y421 C452 I456	V48-V236 PolarHBondContact O-N 3.19Å; V49-V236 WeakPolarHBondContact CA-O 3.49Å; V49-V236 HydrophobicContact CG1-CB 4.42Å; V49-V236 HydrophobicContact CG2-CB 4.13Å; V49-V236 HydrophobicContact CG2-CG2 4.23Å; V50-V236 PolarHBondContact N-O 2.82Å; A59-V236 HydrophobicContact CB-CG1 4.31Å; L63-V236 HydrophobicContact CD1-CG2 4.43Å; V236-Y421 WeakPolarHBondContact CA-O 3.41Å; V236-C452 HydrophobicContact CG1-CB 4.28Å; V236-C452 HydrophobicContact CG2-CB 4.37Å; V236-I456 HydrophobicContact CG2-CD1 3.9Å
237	L	99	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.6	173.4	-62.1	-178.1	0	0	0	110.8	V50 L207 T235 M262 V263 I396 L420 Y421 A422 A423	V50-L237 HydrophobicContact CB-CD2 3.95Å; V50-L237 HydrophobicContact CG2-CD2 4.07Å; L207-L237 HydrophobicContact CD1-CD1 4.45Å; L207-L237 HydrophobicContact CD2-CD1 4.2Å; L207-L237 HydrophobicContact CD2-CD2 4.06Å; L207-L237 HydrophobicContact CD2-CG 4.47Å; T235-L237 HydrophobicContact CG2-CD2 4.37Å; L237-M262 HydrophobicContact CD2-CE 3.81Å; L237-V263 HydrophobicContact CD1-CG2 3.66Å; L237-I396 HydrophobicContact CB-CD1 4.07Å; L237-I396 HydrophobicContact CD1-CD1 3.63Å; L237-L420 HydrophobicContact CD1-CD1 4.16Å; L237-L420 HydrophobicContact CG-CD1 4.17Å; L237-Y421 PolarHBondContact N-O 3.26Å; L237-A422 HydrophobicContact CB-CB 4.25Å; L237-A422 CarbonylContact O-C 3.41Å; L237-A422 WeakPolarHBondContact O-CA 3.5Å; L237-A423 PolarHBondContact O-N 3.19Å
238	A	98.9	Very high	98.6	Very high	9 Å²	9	19.5 Å²	19.5	7%	0.074	10%	0.098	C	C	.	.			trans	-136.3	44.8	-179.6	0	0	0	0	0	111.1	V50 A55 G240	V50-A238 CarbonylContact O-C 3.52Å; V50-A238 WeakPolarHBondContact O-CA 3.37Å; V50-A238 PolarHBondContact O-N 2.9Å; A55-A238 HydrophobicContact CB-CB 4.18Å; A238-G240 PolarHBondContact O-N 3.33Å
239	T	99	Very high	98.6	Very high	30 Å²	30	19.7 Å²	19.7	18%	0.184	10%	0.099	C	C	.	.			trans	-84	-2.2	-165.9	55.3	0	0	0	0	115.7	V50 G259 M262	V50-T239 HydrophobicContact CB-CG2 4.46Å; V50-T239 HydrophobicContact CG1-CG2 3.82Å; T239-G259 VanDerWaalsContact OG1-CA 3.22Å; T239-G259 WeakPolarHBondContact OG1-CA 3.38Å; T239-G259 PolarHBondContact OG1-N 2.72Å; T239-G259 VanDerWaalsContact OG1-N 3.12Å; T239-M262 HydrophobicContact CG2-CE 4.27Å
240	G	98.8	Very high	98.6	Very high	23 Å²	23	20 Å²	20	24%	0.237	10%	0.103	C	C	.	.			trans	77.4	-175.1	-175.1	0	0	0	0	0	114	A238	A238-G240 PolarHBondContact O-N 3.33Å
241	G	98.7	Very high	98.6	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	10%	0.104	C	C	.	.			trans	-85.4	-167.9	-176.4	0	0	0	0	0	115.6	C255 T256 G257	G241-C255 CarbonylContact O-C 3.34Å; G241-T256 PolarHBondContact O-N 2.69Å; G241-G257 PolarHBondContact O-N 2.85Å
242	Y	98.9	Very high	98.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	10%	0.104	C	C	.	.			trans	-131.7	29.7	-172.3	60.4	-90.7	0	0	0	113.6	R244 T245 C255 M273 N392 N560 T564	Y242-R244 PolarHBondContact O-N 3.01Å; Y242-T245 HydrophobicContact CD2-CG2 3.89Å; Y242-T245 WeakPolarHBondContact O-CB 3.5Å; Y242-T245 WeakPolarHBondContact O-CG2 3.33Å; Y242-T245 PolarHBondContact O-N 3.37Å; Y242-T245 PolarHBondContact O-OG1 3.5Å; Y242-C255 CarbonylContact C-O 3.22Å; Y242-C255 WeakPolarHBondContact CA-O 3.35Å; Y242-M273 HydrophobicContact CD1-CE 4.11Å; Y242-M273 HydrophobicContact CE1-CE 3.4Å; Y242-M273 HydrophobicContact CE1-SD 3.94Å; Y242-M273 HydrophobicContact CE2-CE 4.15Å; Y242-M273 VanDerWaalsContact CZ-CE 3.42Å; Y242-M273 WeakPolarHBondContact OH-CA 3.33Å; Y242-M273 PolarHBondContact OH-O 2.77Å; Y242-N392 HydrophobicContact CD1-CB 3.93Å; Y242-N392 VanDerWaalsContact CD1-CG 3.49Å; Y242-N392 WeakPolarHBondContact CD2-ND2 3.25Å; Y242-N392 HydrophobicContact CE1-CB 3.49Å; Y242-N392 VanDerWaalsContact CE1-CB 3.49Å; Y242-N392 VanDerWaalsContact CE1-ND2 3.35Å; Y242-N392 WeakPolarHBondContact CE1-ND2 3.48Å; Y242-N392 WeakPolarHBondContact CE2-ND2 3.49Å; Y242-N392 PolarHBondContact N-OD1 3.08Å; Y242-N560 HydrophobicContact CD1-CB 4.45Å; Y242-N560 HydrophobicContact CD2-CB 3.75Å; Y242-N560 HydrophobicContact CE2-CB 4.28Å; Y242-N560 HydrophobicContact CG-CB 3.86Å; Y242-T564 VanDerWaalsContact CE2-OG1 3.3Å; Y242-T564 WeakPolarHBondContact CE2-OG1 3.47Å; Y242-T564 PolarHBondContact OH-OG1 3.41Å
243	G	98.8	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-55	-21.8	-179.8	0	0	0	0	0	114.9	T245 Y246 C249 N392	G243-T245 PolarHBondContact O-N 3.41Å; G243-T245 VanDerWaalsContact O-N 3.13Å; G243-Y246 PolarHBondContact O-N 2.82Å; G243-Y246 VanDerWaalsContact O-N 3.09Å; G243-C249 WeakPolarHBondContact O-CB 3.36Å; G243-N392 PolarHBondContact N-OD1 3.41Å
244	R	98.8	Very high	98.7	Very high	46 Å²	46	23.8 Å²	23.8	17%	0.174	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-71.1	1	175.2	-76	-73.4	169.3	176	3.1	115.4	Y242 Y246 S251 A252 H253 C255 Q501 L557	Y242-R244 PolarHBondContact O-N 3.01Å; R244-Y246 PolarHBondContact O-N 3.08Å; R244-S251 PolarHBondContact NE-O 3.48Å; R244-S251 PolarHBondContact NH2-O 3Å; R244-S251 VanDerWaalsContact NH2-O 3.11Å; R244-A252 VanDerWaalsContact CG-O 3.28Å; R244-A252 WeakPolarHBondContact CG-O 3.32Å; R244-A252 PolarHBondContact NE-O 2.9Å; R244-H253 PolarHBondContact NH2-NE2 2.8Å; R244-C255 WeakPolarHBondContact CB-O 3.49Å; R244-C255 PolarHBondContact N-O 3.46Å; R244-Q501 WeakPolarHBondContact O-CG 2.97Å; R244-Q501 PolarHBondContact O-NE2 3.42Å; R244-L557 HydrophobicContact CB-CD1 4.42Å; R244-L557 HydrophobicContact CB-CD2 3.99Å
245	T	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-65.8	-19.2	163.2	47.9	0	0	0	0	112.3	Y242 G243 Q501 M504 L557 N560 A561	Y242-T245 HydrophobicContact CD2-CG2 3.89Å; Y242-T245 WeakPolarHBondContact O-CB 3.5Å; Y242-T245 WeakPolarHBondContact O-CG2 3.33Å; Y242-T245 PolarHBondContact O-N 3.37Å; Y242-T245 PolarHBondContact O-OG1 3.5Å; G243-T245 PolarHBondContact O-N 3.41Å; G243-T245 VanDerWaalsContact O-N 3.13Å; T245-Q501 WeakPolarHBondContact O-CA 3.33Å; T245-M504 WeakPolarHBondContact O-CB 3.48Å; T245-M504 WeakPolarHBondContact O-CG 3.35Å; T245-L557 HydrophobicContact CG2-CB 4.27Å; T245-L557 HydrophobicContact CG2-CD2 3.6Å; T245-L557 WeakPolarHBondContact CG2-O 3.47Å; T245-N560 HydrophobicContact CG2-CB 4.14Å; T245-A561 HydrophobicContact CG2-CB 3.92Å
246	Y	98.8	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-104.8	154.6	178.6	-74.7	-102.3	0	0	0	112.6	G243 R244 V276 F278 V389 M504 A508	G243-Y246 PolarHBondContact O-N 2.82Å; G243-Y246 VanDerWaalsContact O-N 3.09Å; R244-Y246 PolarHBondContact O-N 3.08Å; Y246-V276 HydrophobicContact CE2-CG1 4.02Å; Y246-V276 HydrophobicContact CE2-CG2 4.27Å; Y246-F278 HydrophobicContact CE1-CZ 4.17Å; Y246-V389 HydrophobicContact CD1-CG2 3.6Å; Y246-V389 HydrophobicContact CD2-CB 4.4Å; Y246-V389 HydrophobicContact CD2-CG1 3.94Å; Y246-V389 HydrophobicContact CD2-CG2 3.89Å; Y246-V389 HydrophobicContact CE1-CG2 3.98Å; Y246-V389 HydrophobicContact CE2-CG1 4.5Å; Y246-V389 HydrophobicContact CE2-CG2 4.26Å; Y246-V389 HydrophobicContact CG-CB 4.21Å; Y246-V389 HydrophobicContact CG-CG1 4.24Å; Y246-V389 HydrophobicContact CG-CG2 3.55Å; Y246-M504 HydrophobicContact CD1-CB 4Å; Y246-M504 HydrophobicContact CD2-CB 4.35Å; Y246-M504 HydrophobicContact CE1-CB 4.03Å; Y246-M504 WeakPolarHBondContact CE1-O 3.26Å; Y246-M504 HydrophobicContact CE2-CB 4.36Å; Y246-M504 HydrophobicContact CE2-CE 4.07Å; Y246-M504 HydrophobicContact CG-CB 4.18Å; Y246-A508 WeakPolarHBondContact CE1-O 3.49Å; Y246-A508 PolarHBondContact OH-O 3.34Å
247	F	98.5	Very high	98.7	Very high	107 Å²	107	24.1 Å²	24.1	47%	0.469	14%	0.135	S	C	.	.	S	Bend	trans	-66.6	-45.6	177.6	-178.3	-105.1	0	0	0	112.6	L498 Q501 R502 Q505	F247-L498 HydrophobicContact CD2-CD1 3.72Å; F247-L498 HydrophobicContact CE2-CD1 3.64Å; F247-Q501 HydrophobicContact CB-CB 4.13Å; F247-Q501 PolarHBondContact N-O 3.09Å; F247-R502 HydrophobicContact CD2-CG 4.27Å; F247-Q505 HydrophobicContact CB-CB 3.91Å; F247-Q505 HydrophobicContact CB-CG 4.09Å
248	S	97.7	Very high	98.7	Very high	32 Å²	32	24.7 Å²	24.7	22%	0.224	14%	0.138	C	C	.	.	S	Bend	trans	-112.1	116.1	175.4	-173.6	0	0	0	0	110.2
249	C	98.6	Very high	98.7	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.061	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-145.2	153.7	175.5	61.6	0	0	0	0	110.9	G243 S251 V389	G243-C249 WeakPolarHBondContact O-CB 3.36Å; C249-S251 PolarHBondContact O-N 3.44Å; C249-V389 CarbonylContact C-O 3.46Å; C249-V389 WeakPolarHBondContact CA-O 3.33Å; C249-V389 HydrophobicContact CB-CB 3.98Å; C249-V389 HydrophobicContact CB-CG1 4.14Å; C249-V389 WeakPolarHBondContact CB-O 3.35Å
250	T	98.6	Very high	98.7	Very high	19 Å²	19	23 Å²	23	12%	0.117	13%	0.126	C	C	.	.	S	Bend	trans	-76.2	-11.3	170.4	72.8	0	0	0	0	111.9	H82 G287 L289 T388 V389 H390	H82-T250 PolarHBondContact CE1-O 2.82Å; T250-G287 WeakPolarHBondContact CA-O 3.22Å; T250-G287 WeakPolarHBondContact CG2-O 3.32Å; T250-L289 HydrophobicContact CG2-CB 4.1Å; T250-L289 HydrophobicContact CG2-CD1 4.47Å; T250-T388 HydrophobicContact CG2-CG2 3.88Å; T250-V389 PolarHBondContact N-O 3.16Å; T250-H390 HydrophobicContact CG2-CB 4.38Å; T250-H390 PolarHBondContact OG1-ND1 3.39Å
251	S	98.5	Very high	98.7	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	12%	0.115	C	C	.	.	S	Bend	trans	-69.7	143.6	-172.2	-49.1	0	0	0	0	111.6	R244 C249	R244-S251 PolarHBondContact NE-O 3.48Å; R244-S251 PolarHBondContact NH2-O 3Å; R244-S251 VanDerWaalsContact NH2-O 3.11Å; C249-S251 PolarHBondContact O-N 3.44Å
252	A	98.5	Very high	98.7	Very high	29 Å²	29	21.8 Å²	21.8	24%	0.24	11%	0.114	C	C	.	.			trans	-58	157.9	172	0	0	0	0	0	110.7	H82 R244 T254 C255	H82-A252 HydrophobicContact CB-CB 4.32Å; H82-A252 PolarHBondContact CE1-N 2.8Å; H82-A252 PolarHBondContact ND1-N 3.38Å; R244-A252 VanDerWaalsContact CG-O 3.28Å; R244-A252 WeakPolarHBondContact CG-O 3.32Å; R244-A252 PolarHBondContact NE-O 2.9Å; A252-T254 PolarHBondContact O-N 3.31Å; A252-C255 PolarHBondContact O-N 2.97Å; A252-C255 VanDerWaalsContact O-N 3.11Å
253	H	98.7	Very high	98.7	Very high	144 Å²	144	21.7 Å²	21.7	67%	0.667	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.5	174.5	-73.6	-84.9	0	0	0	112.9	R244	R244-H253 PolarHBondContact NH2-NE2 2.8Å
254	T	98.7	Very high	98.7	Very high	38 Å²	38	21.8 Å²	21.8	23%	0.233	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.3	-175.8	53.1	0	0	0	0	114.5	K75 L76 A252 T256	K75-T254 WeakPolarHBondContact CE-O 3.46Å; K75-T254 PolarHBondContact NZ-O 3.33Å; L76-T254 HydrophobicContact CD1-CG2 3.86Å; L76-T254 HydrophobicContact CD2-CG2 3.7Å; L76-T254 HydrophobicContact CG-CG2 4.3Å; A252-T254 PolarHBondContact O-N 3.31Å; T254-T256 PolarHBondContact O-N 2.92Å; T254-T256 VanDerWaalsContact O-N 3.13Å; T254-T256 PolarHBondContact O-OG1 2.98Å
255	C	98.9	Very high	98.7	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.061	12%	0.116	C	C	.	.			trans	-85	75.6	177.5	-63.1	0	0	0	0	111	G241 Y242 R244 A252	G241-C255 CarbonylContact O-C 3.34Å; Y242-C255 CarbonylContact C-O 3.22Å; Y242-C255 WeakPolarHBondContact CA-O 3.35Å; R244-C255 WeakPolarHBondContact CB-O 3.49Å; R244-C255 PolarHBondContact N-O 3.46Å; A252-C255 PolarHBondContact O-N 2.97Å; A252-C255 VanDerWaalsContact O-N 3.11Å
256	T	98.9	Very high	98.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	13%	0.128	C	C	.	.			trans	-111.5	4	-165.5	48.6	0	0	0	0	114.3	K75 G241 T254 D258 E553 L557	K75-T256 PolarHBondContact NZ-OG1 2.96Å; G241-T256 PolarHBondContact O-N 2.69Å; T254-T256 PolarHBondContact O-N 2.92Å; T254-T256 VanDerWaalsContact O-N 3.13Å; T254-T256 PolarHBondContact O-OG1 2.98Å; T256-D258 WeakPolarHBondContact CB-OD1 3.47Å; T256-D258 PolarHBondContact OG1-OD1 3.16Å; T256-D258 PolarHBondContact OG1-OD2 2.77Å; T256-E553 HydrophobicContact CG2-CB 3.81Å; T256-E553 HydrophobicContact CG2-CG 3.93Å; T256-L557 HydrophobicContact CG2-CD1 4.12Å; T256-L557 HydrophobicContact CG2-CD2 4.47Å; T256-L557 HydrophobicContact CG2-CG 4.28Å
257	G	98.9	Very high	98.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	16%	0.155	C	C	.	.			trans	64.9	39.7	177.9	0	0	0	0	0	114	G241 T260 A261 N560	G241-G257 PolarHBondContact O-N 2.85Å; G257-T260 WeakPolarHBondContact CA-OG1 3.48Å; G257-T260 PolarHBondContact O-OG1 2.8Å; G257-A261 VanDerWaalsContact O-CB 3.27Å; G257-A261 WeakPolarHBondContact O-CB 3.44Å; G257-A261 PolarHBondContact O-N 3.22Å; G257-N560 PolarHBondContact O-ND2 3.26Å
258	D	99	Very high	98.6	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.064	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-42.9	-174.5	-53.8	-25.7	0	0	0	111.4	K75 T256 A261 M262 N556	K75-D258 WeakPolarHBondContact CE-OD2 3.16Å; K75-D258 IonicContact NZ-OD1 2.82Å; K75-D258 IonicContact NZ-OD2 3.73Å; K75-D258 PolarHBondContact NZ-OD2 3.19Å; T256-D258 WeakPolarHBondContact CB-OD1 3.47Å; T256-D258 PolarHBondContact OG1-OD1 3.16Å; T256-D258 PolarHBondContact OG1-OD2 2.77Å; D258-A261 PolarHBondContact O-N 3.3Å; D258-M262 VanDerWaalsContact O-CG 3.32Å; D258-M262 WeakPolarHBondContact O-CG 3.49Å; D258-M262 PolarHBondContact O-N 2.49Å; D258-N556 PolarHBondContact OD1-ND2 3.37Å
259	G	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-43.9	178.7	0	0	0	0	0	114	T239 A261 M262 V263	T239-G259 VanDerWaalsContact OG1-CA 3.22Å; T239-G259 WeakPolarHBondContact OG1-CA 3.38Å; T239-G259 PolarHBondContact OG1-N 2.72Å; T239-G259 VanDerWaalsContact OG1-N 3.12Å; G259-A261 VanDerWaalsContact C-N 3.26Å; G259-A261 PolarHBondContact O-N 3.31Å; G259-M262 PolarHBondContact O-N 3.06Å; G259-V263 WeakPolarHBondContact O-CG2 3.42Å; G259-V263 PolarHBondContact O-N 3.32Å
260	T	98.9	Very high	98.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-36	175.3	46.1	0	0	0	0	111.1	G257 V263 T264 N270 I396 N560	G257-T260 WeakPolarHBondContact CA-OG1 3.48Å; G257-T260 PolarHBondContact O-OG1 2.8Å; T260-V263 PolarHBondContact O-N 2.96Å; T260-T264 PolarHBondContact O-N 3.33Å; T260-T264 PolarHBondContact O-OG1 2.74Å; T260-T264 VanDerWaalsContact O-OG1 3.13Å; T260-N270 PolarHBondContact O-ND2 2.8Å; T260-I396 HydrophobicContact CG2-CG1 4.06Å; T260-N560 VanDerWaalsContact CB-OD1 3.27Å; T260-N560 WeakPolarHBondContact CB-OD1 3.25Å; T260-N560 PolarHBondContact OG1-ND2 2.7Å; T260-N560 PolarHBondContact OG1-OD1 2.99Å
261	A	99	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-70	-38.4	174.5	0	0	0	0	0	113.2	G257 D258 G259 V263 T264 R265 N556 L559	G257-A261 VanDerWaalsContact O-CB 3.27Å; G257-A261 WeakPolarHBondContact O-CB 3.44Å; G257-A261 PolarHBondContact O-N 3.22Å; D258-A261 PolarHBondContact O-N 3.3Å; G259-A261 VanDerWaalsContact C-N 3.26Å; G259-A261 PolarHBondContact O-N 3.31Å; A261-V263 VanDerWaalsContact C-N 3.33Å; A261-V263 PolarHBondContact O-N 2.99Å; A261-T264 WeakPolarHBondContact O-CB 3.37Å; A261-T264 PolarHBondContact O-N 3.2Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 3.22Å; A261-N556 HydrophobicContact CB-CB 3.56Å; A261-N556 WeakPolarHBondContact CB-OD1 3.37Å; A261-L559 HydrophobicContact CB-CD1 4.07Å
262	M	98.9	Very high	98.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-42	172.6	-72.5	-170.3	-73.5	0	0	111.6	V50 V204 L205 L207 L237 T239 D258 G259 R265 A266	V50-M262 HydrophobicContact CG1-CE 4.3Å; V204-M262 HydrophobicContact CB-CE 4.42Å; V204-M262 HydrophobicContact CB-SD 4.17Å; V204-M262 HydrophobicContact CG1-CE 4.14Å; V204-M262 HydrophobicContact CG1-SD 3.51Å; V204-M262 VanDerWaalsContact CG1-SD 3.51Å; L205-M262 WeakPolarHBondContact O-CG 3.28Å; L207-M262 HydrophobicContact CG-CB 4.29Å; L237-M262 HydrophobicContact CD2-CE 3.81Å; T239-M262 HydrophobicContact CG2-CE 4.27Å; D258-M262 VanDerWaalsContact O-CG 3.32Å; D258-M262 WeakPolarHBondContact O-CG 3.49Å; D258-M262 PolarHBondContact O-N 2.49Å; G259-M262 PolarHBondContact O-N 3.06Å; M262-R265 PolarHBondContact O-N 2.83Å; M262-A266 WeakPolarHBondContact O-CB 3.2Å; M262-A266 PolarHBondContact O-N 3.38Å
263	V	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-43.4	175.4	168.3	0	0	0	0	111.1	L207 L237 G259 T260 A261 R265 A266 G267 L268 I396	L207-V263 HydrophobicContact CD1-CG2 4.24Å; L237-V263 HydrophobicContact CD1-CG2 3.66Å; G259-V263 WeakPolarHBondContact O-CG2 3.42Å; G259-V263 PolarHBondContact O-N 3.32Å; T260-V263 PolarHBondContact O-N 2.96Å; A261-V263 VanDerWaalsContact C-N 3.33Å; A261-V263 PolarHBondContact O-N 2.99Å; V263-R265 PolarHBondContact O-N 3.45Å; V263-A266 WeakPolarHBondContact O-CB 3.28Å; V263-A266 PolarHBondContact O-N 2.92Å; V263-G267 PolarHBondContact O-N 3.06Å; V263-L268 HydrophobicContact CG1-CB 3.5Å; V263-L268 VanDerWaalsContact CG1-CB 3.5Å; V263-L268 HydrophobicContact CG1-CD1 4.45Å; V263-L268 WeakPolarHBondContact O-CB 3.41Å; V263-L268 PolarHBondContact O-N 2.86Å; V263-I396 HydrophobicContact CB-CD1 4.44Å; V263-I396 HydrophobicContact CB-CG1 4.13Å; V263-I396 HydrophobicContact CG1-CG1 4.31Å; V263-I396 HydrophobicContact CG1-CG2 4.23Å; V263-I396 HydrophobicContact CG2-CD1 3.58Å; V263-I396 HydrophobicContact CG2-CG1 3.71Å; V263-I396 HydrophobicContact CG2-CG2 4.04Å
264	T	98.9	Very high	98.7	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-58.6	-46.8	173.2	-65.5	0	0	0	0	112	T260 A261 A266 G267 N270 L559 Q563 Q616	T260-T264 PolarHBondContact O-N 3.33Å; T260-T264 PolarHBondContact O-OG1 2.74Å; T260-T264 VanDerWaalsContact O-OG1 3.13Å; A261-T264 WeakPolarHBondContact O-CB 3.37Å; A261-T264 PolarHBondContact O-N 3.2Å; T264-A266 VanDerWaalsContact C-N 3.26Å; T264-A266 PolarHBondContact O-N 2.95Å; T264-G267 PolarHBondContact O-N 3.1Å; T264-N270 PolarHBondContact OG1-ND2 2.7Å; T264-L559 HydrophobicContact CG2-CB 4.49Å; T264-L559 HydrophobicContact CG2-CD1 4.18Å; T264-L559 HydrophobicContact CG2-CD2 4.38Å; T264-Q563 PolarHBondContact OG1-NE2 3.43Å; T264-Q563 VanDerWaalsContact OG1-NE2 3.08Å; T264-Q563 PolarHBondContact OG1-OE1 3.04Å; T264-Q616 HydrophobicContact CG2-CB 3.63Å
265	R	98.6	Very high	98.7	Very high	56 Å²	56	9.3 Å²	9.3	21%	0.211	6%	0.064	C	C	.	.	H	α-helix	trans	-65.7	-28.3	178.2	-73.2	-170.6	-67.2	-86.6	2.9	113.1	L205 D206 A261 M262 V263 G267 N556 L559 V618	L205-R265 PolarHBondContact O-NH2 3.47Å; D206-R265 WeakPolarHBondContact OD1-CD 3.25Å; D206-R265 IonicContact OD1-CZ 2.84Å; D206-R265 IonicContact OD1-NE 3.92Å; D206-R265 PolarHBondContact OD1-NE 2.88Å; D206-R265 IonicContact OD1-NH2 3.3Å; D206-R265 IonicContact OD2-NE 2.88Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 3.22Å; M262-R265 PolarHBondContact O-N 2.83Å; V263-R265 PolarHBondContact O-N 3.45Å; R265-G267 PolarHBondContact O-N 3.11Å; R265-N556 PolarHBondContact NH1-OD1 2.86Å; R265-N556 PolarHBondContact NH2-OD1 3.02Å; R265-L559 HydrophobicContact CG-CD1 4.12Å; R265-V618 HydrophobicContact CB-CG2 4.48Å; R265-V618 HydrophobicContact CG-CG1 4.39Å; R265-V618 HydrophobicContact CG-CG2 3.88Å
266	A	98.2	Very high	98.7	Very high	32 Å²	32	8.9 Å²	8.9	26%	0.264	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-1	171.2	0	0	0	0	0	113.9	L207 M209 M262 V263 T264 L268	L207-A266 HydrophobicContact CD1-CB 4.13Å; M209-A266 HydrophobicContact CG-CB 3.72Å; M209-A266 HydrophobicContact SD-CB 4.33Å; M262-A266 WeakPolarHBondContact O-CB 3.2Å; M262-A266 PolarHBondContact O-N 3.38Å; V263-A266 WeakPolarHBondContact O-CB 3.28Å; V263-A266 PolarHBondContact O-N 2.92Å; T264-A266 VanDerWaalsContact C-N 3.26Å; T264-A266 PolarHBondContact O-N 2.95Å; A266-L268 VanDerWaalsContact C-N 3.29Å; A266-L268 HydrophobicContact CB-CD1 4.34Å; A266-L268 HydrophobicContact CB-CG 4.39Å; A266-L268 PolarHBondContact O-N 3.28Å
267	G	97.2	Very high	98.7	Very high	54 Å²	54	8.8 Å²	8.8	56%	0.557	6%	0.06	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	16.9	-178.9	0	0	0	0	0	114	V263 T264 R265	V263-G267 PolarHBondContact O-N 3.06Å; T264-G267 PolarHBondContact O-N 3.1Å; R265-G267 PolarHBondContact O-N 3.11Å
268	L	98.4	Very high	98.7	Very high	20 Å²	20	9.2 Å²	9.2	11%	0.105	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-96.5	155.4	178.3	-66.1	174.4	0	0	0	110.6	M209 V263 A266 A406 V417 L420	M209-L268 HydrophobicContact CE-CD1 4.15Å; V263-L268 HydrophobicContact CG1-CB 3.5Å; V263-L268 VanDerWaalsContact CG1-CB 3.5Å; V263-L268 HydrophobicContact CG1-CD1 4.45Å; V263-L268 WeakPolarHBondContact O-CB 3.41Å; V263-L268 PolarHBondContact O-N 2.86Å; A266-L268 VanDerWaalsContact C-N 3.29Å; A266-L268 HydrophobicContact CB-CD1 4.34Å; A266-L268 HydrophobicContact CB-CG 4.39Å; A266-L268 PolarHBondContact O-N 3.28Å; L268-A406 HydrophobicContact CD2-CB 4.18Å; L268-V417 HydrophobicContact CD1-CG1 4.22Å; L268-V417 HydrophobicContact CD1-CG2 4.19Å; L268-V417 HydrophobicContact CD2-CG2 3.85Å; L268-L420 HydrophobicContact CD1-CD2 3.84Å
269	P	98.5	Very high	98.7	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.013	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-75.9	147.6	-179.6	28.6	-30.6	0	0	0	112	P397 L613 S614 Y615	P269-P397 HydrophobicContact CG-CG 4.11Å; P269-P397 WeakPolarHBondContact O-CD 3.22Å; P269-L613 HydrophobicContact CB-CB 4.14Å; P269-L613 HydrophobicContact CB-CD2 4.28Å; P269-S614 WeakPolarHBondContact CA-O 3.36Å; P269-Y615 HydrophobicContact CB-CD1 4.26Å; P269-Y615 HydrophobicContact CB-CD2 4.46Å; P269-Y615 HydrophobicContact CB-CE1 3.73Å; P269-Y615 HydrophobicContact CB-CE2 3.95Å; P269-Y615 HydrophobicContact CG-CE1 3.98Å
270	N	98.9	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	159.6	150.2	-71.3	-49.6	0	0	0	109.6	T260 T264 M273 Q563 L613 S614	T260-N270 PolarHBondContact O-ND2 2.8Å; T264-N270 PolarHBondContact OG1-ND2 2.7Å; N270-M273 HydrophobicContact CB-CE 4.41Å; N270-M273 HydrophobicContact CB-CG 3.8Å; N270-M273 HydrophobicContact CB-SD 3.67Å; N270-Q563 PolarHBondContact ND2-OE1 3.08Å; N270-L613 CarbonylContact O-C 3.54Å; N270-L613 WeakPolarHBondContact O-CA 3.46Å; N270-S614 PolarHBondContact N-O 3.18Å; N270-S614 PolarHBondContact O-N 3.29Å; N270-S614 PolarHBondContact O-OG 3.19Å
271	Q	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.1	-175.8	-174.8	177.2	-89.9	0	0	110.9	M273 G394 G395 P397 S428 H611 T612 L613	Q271-M273 VanDerWaalsContact C-N 3.25Å; Q271-M273 PolarHBondContact O-N 3.29Å; Q271-M273 VanDerWaalsContact O-N 3.11Å; Q271-G394 CarbonylContact O-C 3.54Å; Q271-G394 WeakPolarHBondContact O-CA 3.4Å; Q271-G395 PolarHBondContact N-O 3.31Å; Q271-G395 PolarHBondContact O-N 3.43Å; Q271-P397 HydrophobicContact CB-CB 3.89Å; Q271-P397 HydrophobicContact CB-CG 4.23Å; Q271-S428 PolarHBondContact NE2-O 3.18Å; Q271-S428 PolarHBondContact NE2-OG 2.8Å; Q271-H611 HydrophobicContact CG-CB 3.74Å; Q271-T612 CarbonylContact C-O 3.55Å; Q271-T612 WeakPolarHBondContact CA-O 3.46Å; Q271-L613 HydrophobicContact CB-CD2 4.04Å; Q271-L613 HydrophobicContact CG-CD2 4.08Å
272	D	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.059	C	C	.	.			trans	55.7	31.7	166.1	-70	-9.4	0	0	0	115.6	E274 F275 G394 H611 T612	D272-E274 VanDerWaalsContact C-OE2 3.25Å; D272-E274 WeakPolarHBondContact CA-OE2 3.3Å; D272-E274 PolarHBondContact O-N 2.84Å; D272-E274 VanDerWaalsContact O-N 3.15Å; D272-F275 HydrophobicContact CB-CD2 3.68Å; D272-F275 HydrophobicContact CB-CE2 4.25Å; D272-F275 PolarHBondContact O-N 2.79Å; D272-F275 VanDerWaalsContact O-N 3.1Å; D272-G394 VanDerWaalsContact O-CA 3.23Å; D272-G394 WeakPolarHBondContact O-CA 3.37Å; D272-G394 PolarHBondContact O-N 2.83Å; D272-H611 WeakPolarHBondContact OD1-CA 3.49Å; D272-H611 WeakPolarHBondContact OD1-CB 3.31Å; D272-H611 IonicContact OD1-CG 2.93Å; D272-H611 IonicContact OD1-ND1 3.57Å; D272-H611 IonicContact OD2-CE1 3.8Å; D272-H611 IonicContact OD2-CG 3.19Å; D272-H611 IonicContact OD2-ND1 3.26Å; D272-H611 PolarHBondContact OD2-ND1 3.02Å; D272-T612 PolarHBondContact N-O 3.11Å; D272-T612 PolarHBondContact OD1-N 3.42Å
273	M	98.9	Very high	98.7	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.4	-174	-62.5	-62.5	-78.1	0	0	113.4	Y242 N270 Q271 F275 N560 Q563 T564	Y242-M273 HydrophobicContact CD1-CE 4.11Å; Y242-M273 HydrophobicContact CE1-CE 3.4Å; Y242-M273 HydrophobicContact CE1-SD 3.94Å; Y242-M273 HydrophobicContact CE2-CE 4.15Å; Y242-M273 VanDerWaalsContact CZ-CE 3.42Å; Y242-M273 WeakPolarHBondContact OH-CA 3.33Å; Y242-M273 PolarHBondContact OH-O 2.77Å; N270-M273 HydrophobicContact CB-CE 4.41Å; N270-M273 HydrophobicContact CB-CG 3.8Å; N270-M273 HydrophobicContact CB-SD 3.67Å; Q271-M273 VanDerWaalsContact C-N 3.25Å; Q271-M273 PolarHBondContact O-N 3.29Å; Q271-M273 VanDerWaalsContact O-N 3.11Å; M273-F275 PolarHBondContact O-N 2.66Å; M273-N560 HydrophobicContact CE-CB 4.19Å; M273-N560 WeakPolarHBondContact CE-OD1 3.43Å; M273-Q563 HydrophobicContact CB-CB 4.28Å; M273-Q563 HydrophobicContact CG-CB 4.14Å; M273-T564 WeakPolarHBondContact O-CG2 3.42Å; M273-T564 PolarHBondContact O-OG1 2.88Å
274	E	98.9	Very high	98.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.9	178.7	70.3	-86.3	-150	0	0	114.3	D272 V276 R512 A568 R571 T612	D272-E274 VanDerWaalsContact C-OE2 3.25Å; D272-E274 WeakPolarHBondContact CA-OE2 3.3Å; D272-E274 PolarHBondContact O-N 2.84Å; D272-E274 VanDerWaalsContact O-N 3.15Å; E274-V276 PolarHBondContact O-N 3.36Å; E274-R512 PolarHBondContact O-NH1 2.93Å; E274-R512 PolarHBondContact O-NH2 2.9Å; E274-A568 HydrophobicContact CB-CB 3.87Å; E274-R571 IonicContact OE1-CZ 3.06Å; E274-R571 IonicContact OE1-NE 3.93Å; E274-R571 PolarHBondContact OE1-NE 3.16Å; E274-R571 IonicContact OE1-NH2 2.74Å; E274-R571 PolarHBondContact OE1-NH2 3.49Å; E274-T612 VanDerWaalsContact OE1-CB 3.31Å; E274-T612 WeakPolarHBondContact OE1-CB 3.38Å; E274-T612 PolarHBondContact OE1-OG1 2.85Å
275	F	98.9	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.105	C	C	.	.			trans	-87.9	87.3	-179.9	-62.5	-79.4	0	0	0	109.8	L116 D272 M273 M393 A434 R575 H578	L116-F275 HydrophobicContact CD2-CD2 3.96Å; L116-F275 HydrophobicContact CD2-CE1 4.06Å; L116-F275 HydrophobicContact CD2-CE2 3.31Å; L116-F275 HydrophobicContact CD2-CZ 3.36Å; D272-F275 HydrophobicContact CB-CD2 3.68Å; D272-F275 HydrophobicContact CB-CE2 4.25Å; D272-F275 PolarHBondContact O-N 2.79Å; D272-F275 VanDerWaalsContact O-N 3.1Å; M273-F275 PolarHBondContact O-N 2.66Å; F275-M393 VanDerWaalsContact C-CE 3.46Å; F275-M393 HydrophobicContact CB-CB 4.05Å; F275-M393 HydrophobicContact CB-CE 3.88Å; F275-M393 VanDerWaalsContact O-CE 3.23Å; F275-M393 WeakPolarHBondContact O-CE 3.46Å; F275-M393 PolarHBondContact O-N 3.41Å; F275-M393 VanDerWaalsContact O-N 3.15Å; F275-A434 HydrophobicContact CD1-CB 3.54Å; F275-A434 HydrophobicContact CE1-CB 3.42Å; F275-A434 VanDerWaalsContact CE1-CB 3.42Å; F275-A434 HydrophobicContact CG-CB 4.41Å; F275-A434 HydrophobicContact CZ-CB 4.21Å; F275-R575 HydrophobicContact CE1-CB 4.39Å; F275-H578 HydrophobicContact CD1-CB 3.87Å; F275-H578 HydrophobicContact CE1-CB 3.67Å
276	V	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.1	177.2	-179.4	0	0	0	0	109.3	Y246 E274 F278 V389 T564 A577	Y246-V276 HydrophobicContact CE2-CG1 4.02Å; Y246-V276 HydrophobicContact CE2-CG2 4.27Å; E274-V276 PolarHBondContact O-N 3.36Å; V276-F278 HydrophobicContact CB-CE2 4.49Å; V276-F278 HydrophobicContact CG1-CE2 4.39Å; V276-F278 WeakPolarHBondContact O-CD2 3.31Å; V276-V389 HydrophobicContact CG1-CG1 3.74Å; V276-V389 HydrophobicContact CG1-CG2 4.16Å; V276-T564 HydrophobicContact CG2-CG2 3.88Å; V276-A577 WeakPolarHBondContact O-CB 3.31Å
277	Q	98.9	Very high	98.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.8	179	177	165.3	96.2	0	0	110.8	R323 H390 Y391 M393 N435 R436	Q277-R323 VanDerWaalsContact CD-CD 3.42Å; Q277-R323 HydrophobicContact CG-CB 4.48Å; Q277-R323 VanDerWaalsContact OE1-CD 3.28Å; Q277-H390 PolarHBondContact O-N 3.27Å; Q277-Y391 WeakPolarHBondContact CB-O 3.36Å; Q277-Y391 PolarHBondContact N-O 2.84Å; Q277-Y391 PolarHBondContact O-N 3.29Å; Q277-M393 HydrophobicContact CB-CE 3.79Å; Q277-M393 HydrophobicContact CB-SD 3.49Å; Q277-M393 WeakPolarHBondContact CB-SD 3.48Å; Q277-N435 PolarHBondContact NE2-OD1 2.98Å; Q277-R436 PolarHBondContact NE2-O 3.38Å
278	F	98.8	Very high	98.2	Very high	10 Å²	10	12.7 Å²	12.7	4%	0.044	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.5	164.8	-62.1	-101.2	0	0	0	107.8	Y246 V276 S327 P387 T388 V389 V510	Y246-F278 HydrophobicContact CE1-CZ 4.17Å; V276-F278 HydrophobicContact CB-CE2 4.49Å; V276-F278 HydrophobicContact CG1-CE2 4.39Å; V276-F278 WeakPolarHBondContact O-CD2 3.31Å; F278-S327 PolarHBondContact O-OG 3.21Å; F278-P387 HydrophobicContact CB-CB 4.18Å; F278-T388 CarbonylContact C-O 3.49Å; F278-T388 VanDerWaalsContact CA-O 3.28Å; F278-T388 WeakPolarHBondContact CA-O 3.48Å; F278-V389 HydrophobicContact CD1-CG2 3.7Å; F278-V389 HydrophobicContact CE1-CG2 3.26Å; F278-V389 HydrophobicContact CG-CG2 4.49Å; F278-V389 HydrophobicContact CZ-CG2 3.72Å; F278-V510 HydrophobicContact CB-CG2 3.99Å; F278-V510 HydrophobicContact CD1-CG2 3.68Å; F278-V510 HydrophobicContact CD2-CG2 3.87Å; F278-V510 HydrophobicContact CE1-CG2 4.1Å; F278-V510 HydrophobicContact CE2-CG2 4.3Å; F278-V510 HydrophobicContact CG-CG2 3.56Å; F278-V510 HydrophobicContact CZ-CG2 4.42Å
279	H	98.8	Very high	98.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133	171.2	-167.6	-85.6	0	0	0	108.9	T281 L289 I290 R323 P387 T388 H390	H279-T281 VanDerWaalsContact C-N 3.25Å; H279-T281 PolarHBondContact CE1-OG1 2.71Å; H279-T281 PolarHBondContact ND1-N 3.04Å; H279-T281 VanDerWaalsContact ND1-N 3.2Å; H279-T281 PolarHBondContact ND1-OG1 2.96Å; H279-T281 PolarHBondContact O-N 2.86Å; H279-L289 HydrophobicContact CB-CD1 4.36Å; H279-L289 VanDerWaalsContact CE1-CD1 3.48Å; H279-L289 WeakPolarHBondContact CE1-CD1 3.49Å; H279-L289 WeakPolarHBondContact ND1-CD1 3.3Å; H279-I290 PolarHBondContact CE1-O 2.89Å; H279-R323 PolarHBondContact CD2-NH2 2.76Å; H279-R323 VanDerWaalsContact CD2-NH2 3.3Å; H279-R323 PolarHBondContact NE2-NH2 3.04Å; H279-R323 VanDerWaalsContact NE2-NH2 3.15Å; H279-P387 VanDerWaalsContact O-CA 3.31Å; H279-P387 WeakPolarHBondContact O-CA 3.33Å; H279-T388 PolarHBondContact N-O 2.75Å; H279-T388 PolarHBondContact O-N 3.42Å; H279-H390 HydrophobicContact CB-CB 3.53Å; H279-H390 AromaticContact CD2-CD2 3.86Å; H279-H390 AromaticContact CD2-NE2 3.89Å
280	P	98.7	Very high	98.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	-39.4	-175.8	-30.3	37	0	0	0	113.8	R323 V326 S327 M330 L386	P280-R323 HydrophobicContact CG-CB 4.36Å; P280-R323 HydrophobicContact CG-CG 4.37Å; P280-V326 HydrophobicContact CB-CB 4.17Å; P280-V326 HydrophobicContact CB-CG1 3.66Å; P280-V326 HydrophobicContact CG-CB 3.75Å; P280-V326 HydrophobicContact CG-CG1 3.81Å; P280-S327 WeakPolarHBondContact CA-OG 3.48Å; P280-M330 HydrophobicContact CB-SD 3.75Å; P280-M330 WeakPolarHBondContact O-CE 3.5Å; P280-L386 CarbonylContact O-C 3.57Å; P280-L386 VanDerWaalsContact O-O 3.13Å
281	T	98.7	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	61.1	-166.7	51.8	0	0	0	0	113.7	H279 I290 L301 L349 V385	H279-T281 VanDerWaalsContact C-N 3.25Å; H279-T281 PolarHBondContact CE1-OG1 2.71Å; H279-T281 PolarHBondContact ND1-N 3.04Å; H279-T281 VanDerWaalsContact ND1-N 3.2Å; H279-T281 PolarHBondContact ND1-OG1 2.96Å; H279-T281 PolarHBondContact O-N 2.86Å; T281-I290 WeakPolarHBondContact O-CB 3.4Å; T281-I290 PolarHBondContact O-N 2.83Å; T281-I290 PolarHBondContact OG1-O 2.78Å; T281-L301 HydrophobicContact CG2-CD2 3.92Å; T281-L349 HydrophobicContact CG2-CD2 4.22Å; T281-V385 HydrophobicContact CG2-CB 4.25Å; T281-V385 HydrophobicContact CG2-CG1 4.33Å; T281-V385 HydrophobicContact CG2-CG2 4.08Å
282	G	98.6	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	140.1	160.3	0	0	0	0	0	109.7	Y284 V385 L386 T388	G282-Y284 PolarHBondContact O-N 2.88Å; G282-V385 CarbonylContact O-C 3.49Å; G282-V385 VanDerWaalsContact O-CA 3.25Å; G282-V385 WeakPolarHBondContact O-CA 3.28Å; G282-L386 PolarHBondContact N-O 3.11Å; G282-L386 VanDerWaalsContact N-O 3.11Å; G282-L386 PolarHBondContact O-N 3.32Å; G282-T388 WeakPolarHBondContact CA-OG1 3.13Å
283	I	98	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.5	-177.9	-152.5	173.4	0	0	0	109.9	A286 G287 C288 I290 F373 A374 I383	I283-A286 HydrophobicContact CG2-CB 3.76Å; I283-G287 WeakPolarHBondContact O-CA 3.39Å; I283-G287 PolarHBondContact O-N 3.45Å; I283-C288 HydrophobicContact CG2-CB 3.77Å; I283-C288 PolarHBondContact N-O 2.97Å; I283-I290 HydrophobicContact CB-CG1 4.32Å; I283-F373 HydrophobicContact CD1-CB 3.99Å; I283-F373 HydrophobicContact CG2-CB 4.48Å; I283-A374 HydrophobicContact CD1-CB 3.58Å; I283-A374 HydrophobicContact CG1-CB 4.08Å; I283-I383 HydrophobicContact CD1-CG2 4.29Å; I283-I383 HydrophobicContact CG1-CG2 4.02Å
284	Y	97.5	Very high	98.2	Very high	69 Å²	69	12.9 Å²	12.9	27%	0.271	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	138.1	179.4	178	-106.2	0	0	0	111.3	G282 A286 D345 H346 P384 L386	G282-Y284 PolarHBondContact O-N 2.88Å; Y284-A286 PolarHBondContact O-N 2.88Å; Y284-A286 VanDerWaalsContact O-N 3.13Å; Y284-D345 VanDerWaalsContact CE2-OD1 3.3Å; Y284-D345 WeakPolarHBondContact CE2-OD1 3.45Å; Y284-D345 PolarHBondContact OH-OD1 2.88Å; Y284-D345 PolarHBondContact OH-OD2 2.93Å; Y284-H346 AromaticContact CD1-CE1 3.93Å; Y284-H346 AromaticContact CD1-ND1 3.88Å; Y284-H346 HydrophobicContact CD2-CB 3.65Å; Y284-H346 AromaticContact CD2-CG 3.76Å; Y284-H346 AromaticContact CD2-ND1 3.66Å; Y284-H346 AromaticContact CE1-CE1 3.9Å; Y284-H346 AromaticContact CE1-ND1 3.87Å; Y284-H346 HydrophobicContact CE2-CB 4.29Å; Y284-H346 AromaticContact CE2-ND1 3.66Å; Y284-H346 HydrophobicContact CG-CB 4.02Å; Y284-H346 AromaticContact CG-CG 3.79Å; Y284-H346 AromaticContact CG-ND1 3.78Å; Y284-H346 AromaticContact CZ-ND1 3.78Å; Y284-P384 PolarHBondContact N-O 3.27Å; Y284-L386 HydrophobicContact CD2-CD2 4.18Å
285	G	95.1	Very high	98.2	Very high	69 Å²	69	13.1 Å²	13.1	71%	0.711	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	-71.6	-173.5	0	0	0	0	0	113.1
286	A	96	Very high	98.1	Very high	54 Å²	54	13.8 Å²	13.8	45%	0.446	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.7	-170.2	0	0	0	0	0	114.7	I283 Y284 C288 F373	I283-A286 HydrophobicContact CG2-CB 3.76Å; Y284-A286 PolarHBondContact O-N 2.88Å; Y284-A286 VanDerWaalsContact O-N 3.13Å; A286-C288 VanDerWaalsContact C-N 3.25Å; A286-C288 PolarHBondContact O-N 3.48Å; A286-F373 HydrophobicContact CB-CB 4.13Å; A286-F373 HydrophobicContact CB-CD1 3.97Å; A286-F373 HydrophobicContact CB-CG 4.32Å
287	G	97	Very high	98.1	Very high	3 Å²	3	14.6 Å²	14.6	3%	0.031	10%	0.102	C	C	.	.			trans	76.6	0.9	-179.7	0	0	0	0	0	115.3	T250 I283	T250-G287 WeakPolarHBondContact CA-O 3.22Å; T250-G287 WeakPolarHBondContact CG2-O 3.32Å; I283-G287 WeakPolarHBondContact O-CA 3.39Å; I283-G287 PolarHBondContact O-N 3.45Å
288	C	97.7	Very high	98.1	Very high	35 Å²	35	16.2 Å²	16.2	24%	0.236	12%	0.119	C	C	.	.			trans	-56.3	138.2	173.8	-55.2	0	0	0	0	111.8	I283 A286 I290 T369	I283-C288 HydrophobicContact CG2-CB 3.77Å; I283-C288 PolarHBondContact N-O 2.97Å; A286-C288 VanDerWaalsContact C-N 3.25Å; A286-C288 PolarHBondContact O-N 3.48Å; C288-I290 PolarHBondContact O-N 3.37Å; C288-T369 HydrophobicContact CB-CG2 3.98Å
289	L	98.4	Very high	98.1	Very high	23 Å²	23	15.7 Å²	15.7	12%	0.12	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-64.6	132.1	176.9	175.5	67.6	0	0	0	111.4	Q87 T250 H279	Q87-L289 HydrophobicContact CB-CD2 4.47Å; Q87-L289 HydrophobicContact CG-CD2 4.21Å; Q87-L289 PolarHBondContact NE2-O 3.38Å; Q87-L289 PolarHBondContact OE1-O 3.41Å; T250-L289 HydrophobicContact CG2-CB 4.1Å; T250-L289 HydrophobicContact CG2-CD1 4.47Å; H279-L289 HydrophobicContact CB-CD1 4.36Å; H279-L289 VanDerWaalsContact CE1-CD1 3.48Å; H279-L289 WeakPolarHBondContact CE1-CD1 3.49Å; H279-L289 WeakPolarHBondContact ND1-CD1 3.3Å
290	I	98.6	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	13%	0.126	C	C	.	.			trans	-108.1	117.3	159.1	-58.2	-65.1	0	0	0	107.9	H279 T281 I283 C288 L349 I366 T369 I383	H279-I290 PolarHBondContact CE1-O 2.89Å; T281-I290 WeakPolarHBondContact O-CB 3.4Å; T281-I290 PolarHBondContact O-N 2.83Å; T281-I290 PolarHBondContact OG1-O 2.78Å; I283-I290 HydrophobicContact CB-CG1 4.32Å; C288-I290 PolarHBondContact O-N 3.37Å; I290-L349 HydrophobicContact CG2-CD2 3.62Å; I290-I366 HydrophobicContact CD1-CB 4.05Å; I290-I366 HydrophobicContact CD1-CG2 4.26Å; I290-I366 HydrophobicContact CG2-CB 4.28Å; I290-I366 HydrophobicContact CG2-CG2 4.25Å; I290-T369 HydrophobicContact CD1-CG2 4.19Å; I290-I383 HydrophobicContact CD1-CD1 4.42Å; I290-I383 HydrophobicContact CG1-CG2 4.23Å; I290-I383 HydrophobicContact CG2-CD1 3.98Å
291	T	98.4	Very high	98.1	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.012	13%	0.126	C	C	.	.			trans	-51.9	139.1	-170.7	-172.4	0	0	0	0	113.3	Q87 G88 D177 G293 C294 L363 I366	Q87-T291 VanDerWaalsContact OE1-CB 3.24Å; G88-T291 WeakPolarHBondContact CA-OG1 3.47Å; G88-T291 PolarHBondContact N-OG1 2.93Å; D177-T291 HydrophobicContact CB-CG2 4.09Å; T291-G293 PolarHBondContact O-N 3.26Å; T291-G293 VanDerWaalsContact O-N 3.13Å; T291-G293 PolarHBondContact OG1-N 3.06Å; T291-C294 VanDerWaalsContact O-CB 3.27Å; T291-C294 WeakPolarHBondContact O-CB 3.42Å; T291-C294 PolarHBondContact O-N 3.11Å; T291-C294 PolarHBondContact O-SG 3.45Å; T291-C294 VanDerWaalsContact O-SG 3.38Å; T291-L363 HydrophobicContact CG2-CD2 3.79Å; T291-I366 HydrophobicContact CG2-CG2 3.9Å
292	E	98.7	Very high	98.1	Very high	2 Å²	2	19 Å²	19	1%	0.009	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.3	165.4	173.1	163.8	117.6	0	0	112.5	F156 G157 C294 R295 G296 R323	F156-E292 HydrophobicContact CD1-CB 4.33Å; F156-E292 HydrophobicContact CD1-CG 3.86Å; F156-E292 WeakPolarHBondContact CD1-OE1 3.46Å; F156-E292 HydrophobicContact CE1-CB 3.61Å; F156-E292 HydrophobicContact CE1-CG 3.65Å; F156-E292 WeakPolarHBondContact CE1-OE1 3.45Å; F156-E292 HydrophobicContact CE2-CB 4.19Å; F156-E292 HydrophobicContact CE2-CG 4.36Å; F156-E292 HydrophobicContact CG-CG 4.29Å; F156-E292 HydrophobicContact CZ-CB 3.54Å; F156-E292 HydrophobicContact CZ-CG 3.94Å; G157-E292 VanDerWaalsContact CA-OE1 3.3Å; G157-E292 WeakPolarHBondContact CA-OE1 3.32Å; G157-E292 PolarHBondContact N-OE1 2.89Å; E292-C294 PolarHBondContact O-N 2.93Å; E292-R295 VanDerWaalsContact CB-NH2 3.29Å; E292-R295 VanDerWaalsContact CD-NH2 3.34Å; E292-R295 PolarHBondContact O-N 2.91Å; E292-R295 IonicContact OE2-CZ 3.95Å; E292-R295 IonicContact OE2-NH1 3.51Å; E292-R295 IonicContact OE2-NH2 2.82Å; E292-R295 PolarHBondContact OE2-NH2 3.39Å; E292-G296 PolarHBondContact O-N 3.09Å; E292-R323 IonicContact OE1-NE 3.86Å; E292-R323 VanDerWaalsContact OE2-CG 3.3Å; E292-R323 WeakPolarHBondContact OE2-CG 3.2Å; E292-R323 IonicContact OE2-CZ 3.95Å; E292-R323 IonicContact OE2-NE 3.68Å; E292-R323 PolarHBondContact OE2-NE 3.25Å; E292-R323 VanDerWaalsContact OE2-NE 3.1Å; E292-R323 IonicContact OE2-NH2 3.38Å
293	G	98.3	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.4	-25.9	167.8	0	0	0	0	0	113.4	T291 R295 G296 E297	T291-G293 PolarHBondContact O-N 3.26Å; T291-G293 VanDerWaalsContact O-N 3.13Å; T291-G293 PolarHBondContact OG1-N 3.06Å; G293-R295 VanDerWaalsContact C-N 3.29Å; G293-R295 PolarHBondContact O-N 2.7Å; G293-G296 CarbonylContact O-C 3.08Å; G293-G296 PolarHBondContact O-N 2.84Å; G293-E297 WeakPolarHBondContact O-CB 3.23Å; G293-E297 WeakPolarHBondContact O-CG 3.21Å; G293-E297 PolarHBondContact O-N 2.94Å
294	C	98.8	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-43.6	172.2	-68.5	0	0	0	0	111.5	T291 E292 G299 L349 L351 L363	T291-C294 VanDerWaalsContact O-CB 3.27Å; T291-C294 WeakPolarHBondContact O-CB 3.42Å; T291-C294 PolarHBondContact O-N 3.11Å; T291-C294 PolarHBondContact O-SG 3.45Å; T291-C294 VanDerWaalsContact O-SG 3.38Å; E292-C294 PolarHBondContact O-N 2.93Å; C294-G299 VanDerWaalsContact O-CA 3.27Å; C294-G299 WeakPolarHBondContact O-CA 3.33Å; C294-G299 PolarHBondContact O-N 2.99Å; C294-L349 HydrophobicContact CB-CD2 3.88Å; C294-L351 HydrophobicContact CB-CD1 4.32Å; C294-L351 HydrophobicContact CB-CD2 3.79Å; C294-L363 HydrophobicContact CB-CD1 4.4Å
295	R	98.8	Very high	98.2	Very high	6 Å²	6	26.4 Å²	26.4	2%	0.023	17%	0.172	C	C	.	.	H	α-helix	trans	-73.2	-36.6	175.5	-66.9	175.5	-78.5	128.2	-4.4	111.5	E292 G293 E297 G298 G299 D319 L320 L349	E292-R295 VanDerWaalsContact CB-NH2 3.29Å; E292-R295 VanDerWaalsContact CD-NH2 3.34Å; E292-R295 PolarHBondContact O-N 2.91Å; E292-R295 IonicContact OE2-CZ 3.95Å; E292-R295 IonicContact OE2-NH1 3.51Å; E292-R295 IonicContact OE2-NH2 2.82Å; E292-R295 PolarHBondContact OE2-NH2 3.39Å; G293-R295 VanDerWaalsContact C-N 3.29Å; G293-R295 PolarHBondContact O-N 2.7Å; R295-E297 PolarHBondContact O-N 2.86Å; R295-G298 PolarHBondContact O-N 3.27Å; R295-G298 VanDerWaalsContact O-N 3.1Å; R295-G299 WeakPolarHBondContact CA-O 3.19Å; R295-D319 HydrophobicContact CB-CB 4.3Å; R295-D319 WeakPolarHBondContact CD-O 3.43Å; R295-D319 HydrophobicContact CG-CB 4.11Å; R295-D319 PolarHBondContact NH1-O 2.8Å; R295-L320 HydrophobicContact CB-CD2 3.94Å; R295-L349 HydrophobicContact CG-CD1 4.06Å
296	G	98.4	Very high	98.3	Very high	14 Å²	14	25.6 Å²	25.6	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-28.8	174.8	0	0	0	0	0	114.3	A155 E292 G293 G298	A155-G296 WeakPolarHBondContact O-CA 3.45Å; E292-G296 PolarHBondContact O-N 3.09Å; G293-G296 CarbonylContact O-C 3.08Å; G293-G296 PolarHBondContact O-N 2.84Å; G296-G298 VanDerWaalsContact C-N 3.33Å
297	E	98.5	Very high	98.4	Very high	17 Å²	17	26.1 Å²	26.1	8%	0.079	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	2.8	177.3	-64.3	-73	168.3	0	0	112.6	Y152 R154 G293 R295 L354 Q358 R362 L363	Y152-E297 VanDerWaalsContact OH-CD 3.28Å; Y152-E297 PolarHBondContact OH-OE1 3.11Å; Y152-E297 PolarHBondContact OH-OE2 3.41Å; R154-E297 IonicContact CZ-OE1 3.5Å; R154-E297 IonicContact NE-OE1 2.73Å; R154-E297 PolarHBondContact NE-OE1 2.89Å; R154-E297 IonicContact NH2-OE1 3.6Å; G293-E297 WeakPolarHBondContact O-CB 3.23Å; G293-E297 WeakPolarHBondContact O-CG 3.21Å; G293-E297 PolarHBondContact O-N 2.94Å; R295-E297 PolarHBondContact O-N 2.86Å; E297-L354 HydrophobicContact CB-CD1 4.44Å; E297-L354 WeakPolarHBondContact O-CD2 3.02Å; E297-Q358 PolarHBondContact O-NE2 3.44Å; E297-Q358 VanDerWaalsContact O-NE2 3.1Å; E297-Q358 PolarHBondContact OE2-NE2 2.75Å; E297-R362 HydrophobicContact CG-CB 4.19Å; E297-L363 HydrophobicContact CB-CD1 4.26Å; E297-L363 HydrophobicContact CG-CD1 4.37Å; E297-L363 HydrophobicContact CG-CD2 4.3Å; E297-L363 HydrophobicContact CG-CG 4.35Å
298	G	98.4	Very high	98.5	Very high	35 Å²	35	29.6 Å²	29.6	36%	0.361	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.6	1.8	175.8	0	0	0	0	0	115.6	R295 G296 H353	R295-G298 PolarHBondContact O-N 3.27Å; R295-G298 VanDerWaalsContact O-N 3.1Å; G296-G298 VanDerWaalsContact C-N 3.33Å; G298-H353 PolarHBondContact O-NE2 3.46Å
299	G	98.7	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.			trans	-64.9	155.9	170.5	0	0	0	0	0	113.1	C294 R295 Q350	C294-G299 VanDerWaalsContact O-CA 3.27Å; C294-G299 WeakPolarHBondContact O-CA 3.33Å; C294-G299 PolarHBondContact O-N 2.99Å; R295-G299 WeakPolarHBondContact CA-O 3.19Å; G299-Q350 WeakPolarHBondContact CA-O 3.37Å
300	Y	98.8	Very high	98.6	Very high	51 Å²	51	26.8 Å²	26.8	20%	0.2	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.4	-179.6	56.8	-95.1	0	0	0	113	I302 R308 D319 Q350 H353	Y300-I302 HydrophobicContact CD2-CG2 3.59Å; Y300-I302 HydrophobicContact CE2-CG2 3.48Å; Y300-I302 VanDerWaalsContact CE2-CG2 3.48Å; Y300-R308 HydrophobicContact CD2-CB 4.31Å; Y300-R308 HydrophobicContact CD2-CG 3.86Å; Y300-R308 HydrophobicContact CG-CG 4.17Å; Y300-D319 WeakPolarHBondContact CA-OD1 3.47Å; Y300-D319 WeakPolarHBondContact CB-OD2 3.39Å; Y300-Q350 HydrophobicContact CD2-CB 4.37Å; Y300-Q350 HydrophobicContact CE2-CB 4.04Å; Y300-Q350 HydrophobicContact CE2-CG 4.29Å; Y300-Q350 PolarHBondContact N-O 3.46Å; Y300-Q350 PolarHBondContact O-N 2.86Å; Y300-Q350 PolarHBondContact OH-NE2 3.1Å; Y300-H353 AromaticContact CD1-CE1 3.58Å; Y300-H353 AromaticContact CD1-NE2 3.76Å; Y300-H353 AromaticContact CE1-CE1 3.24Å; Y300-H353 WeakPolarHBondContact CE1-CE1 3.21Å; Y300-H353 AromaticContact CE1-ND1 3.61Å; Y300-H353 AromaticContact CE1-NE2 3.5Å; Y300-H353 WeakPolarHBondContact CE1-NE2 3.46Å
301	L	98.9	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.1	-178.8	-61.9	169.3	0	0	0	111	T281 R308 F309 M310 D319 V326 M330 I347 F348 L349 V385	T281-L301 HydrophobicContact CG2-CD2 3.92Å; L301-R308 WeakPolarHBondContact O-CA 3.36Å; L301-F309 HydrophobicContact CB-CE1 3.71Å; L301-F309 HydrophobicContact CB-CE2 4.47Å; L301-F309 HydrophobicContact CB-CZ 3.55Å; L301-F309 HydrophobicContact CD1-CZ 4.1Å; L301-F309 HydrophobicContact CG-CZ 4.44Å; L301-M310 HydrophobicContact CD1-CG 4.18Å; L301-D319 PolarHBondContact N-OD1 2.85Å; L301-V326 HydrophobicContact CD1-CG1 3.48Å; L301-V326 VanDerWaalsContact CD1-CG1 3.48Å; L301-M330 HydrophobicContact CD1-CG 3.98Å; L301-M330 HydrophobicContact CD1-SD 3.76Å; L301-M330 HydrophobicContact CD2-CE 4.22Å; L301-M330 HydrophobicContact CD2-SD 4.45Å; L301-I347 HydrophobicContact CB-CG2 4.14Å; L301-I347 HydrophobicContact CD2-CG2 4.16Å; L301-F348 CarbonylContact C-O 3.59Å; L301-F348 VanDerWaalsContact CA-O 3.31Å; L301-F348 WeakPolarHBondContact CA-O 3.35Å; L301-L349 HydrophobicContact CD2-CB 4.17Å; L301-L349 HydrophobicContact CD2-CD1 4.19Å; L301-V385 HydrophobicContact CD2-CG2 4.05Å
302	I	98.8	Very high	98.5	Very high	19 Å²	19	36.4 Å²	36.4	10%	0.097	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.1	176.6	65.2	-177.8	0	0	0	112.3	Y300 E307 I347 F348 Q350	Y300-I302 HydrophobicContact CD2-CG2 3.59Å; Y300-I302 HydrophobicContact CE2-CG2 3.48Å; Y300-I302 VanDerWaalsContact CE2-CG2 3.48Å; I302-E307 WeakPolarHBondContact CA-O 3.42Å; I302-I347 WeakPolarHBondContact O-CG2 3.16Å; I302-F348 HydrophobicContact CD1-CB 4.11Å; I302-F348 HydrophobicContact CG1-CB 3.51Å; I302-F348 PolarHBondContact N-O 2.96Å; I302-F348 PolarHBondContact O-N 3.24Å; I302-F348 VanDerWaalsContact O-N 3.1Å; I302-Q350 HydrophobicContact CD1-CB 4.35Å; I302-Q350 VanDerWaalsContact CD1-OE1 3.26Å
303	N	98.8	Very high	98.5	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	20%	0.203	C	C	.	.			trans	-89.1	-177.2	175.2	71.6	14.1	0	0	0	111.5	K305 G306 E307 F309 E333 R338 I347	N303-K305 PolarHBondContact O-N 2.77Å; N303-K305 VanDerWaalsContact O-N 3.11Å; N303-K305 WeakPolarHBondContact OD1-CA 3.32Å; N303-K305 WeakPolarHBondContact OD1-CB 3.17Å; N303-K305 PolarHBondContact OD1-N 3.48Å; N303-G306 PolarHBondContact O-N 3.29Å; N303-G306 PolarHBondContact OD1-N 2.91Å; N303-E307 PolarHBondContact N-O 2.79Å; N303-E307 PolarHBondContact ND2-OE2 2.75Å; N303-E307 WeakPolarHBondContact OD1-CB 3.5Å; N303-E307 PolarHBondContact OD1-N 2.97Å; N303-E307 VanDerWaalsContact OD1-N 3.12Å; N303-F309 HydrophobicContact CB-CD1 3.91Å; N303-F309 HydrophobicContact CB-CE1 4.41Å; N303-E333 PolarHBondContact ND2-OE2 3.08Å; N303-R338 HydrophobicContact CB-CB 4.16Å; N303-R338 WeakPolarHBondContact CB-O 3.38Å; N303-I347 HydrophobicContact CB-CD1 4.19Å
304	S	98.5	Very high	98.5	Very high	58 Å²	58	39.3 Å²	39.3	41%	0.406	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.6	-179.9	53.4	0	0	0	0	115.6	R338 G339	S304-R338 PolarHBondContact N-O 2.93Å; S304-R338 VanDerWaalsContact OG-C 3.28Å; S304-R338 WeakPolarHBondContact OG-CA 3.39Å; S304-R338 PolarHBondContact OG-O 2.7Å; S304-G339 WeakPolarHBondContact CB-O 3.32Å; S304-G339 PolarHBondContact OG-O 3.35Å
305	K	98	Very high	98.4	Very high	163 Å²	163	43 Å²	43	71%	0.709	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	0.5	171.5	-58.2	-175	177.2	-177.2	0	112.6	N303 E307	N303-K305 PolarHBondContact O-N 2.77Å; N303-K305 VanDerWaalsContact O-N 3.11Å; N303-K305 WeakPolarHBondContact OD1-CA 3.32Å; N303-K305 WeakPolarHBondContact OD1-CB 3.17Å; N303-K305 PolarHBondContact OD1-N 3.48Å; K305-E307 PolarHBondContact O-N 2.84Å
306	G	97.4	Very high	98.2	Very high	52 Å²	52	48.9 Å²	48.9	54%	0.536	26%	0.259	S	S	.	.			trans	73.4	9.5	-172.1	0	0	0	0	0	113.8	N303	N303-G306 PolarHBondContact O-N 3.29Å; N303-G306 PolarHBondContact OD1-N 2.91Å
307	E	98.7	Very high	98.1	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	26%	0.261	S	S	.	.			trans	-74.9	129.7	179.3	-177.1	-162.1	174.8	0	0	110	I302 N303 K305 F309 R312	I302-E307 WeakPolarHBondContact CA-O 3.42Å; N303-E307 PolarHBondContact N-O 2.79Å; N303-E307 PolarHBondContact ND2-OE2 2.75Å; N303-E307 WeakPolarHBondContact OD1-CB 3.5Å; N303-E307 PolarHBondContact OD1-N 2.97Å; N303-E307 VanDerWaalsContact OD1-N 3.12Å; K305-E307 PolarHBondContact O-N 2.84Å; E307-F309 HydrophobicContact CG-CB 4.29Å; E307-F309 PolarHBondContact O-N 3.48Å; E307-R312 IonicContact OE1-CZ 3.57Å; E307-R312 IonicContact OE1-NE 2.7Å; E307-R312 PolarHBondContact OE1-NE 3.09Å; E307-R312 IonicContact OE1-NH2 2.7Å; E307-R312 PolarHBondContact OE1-NH2 2.84Å; E307-R312 IonicContact OE2-NH2 2.8Å; E307-R312 PolarHBondContact OE2-NH2 3.17Å
308	R	98.6	Very high	98.1	Very high	76 Å²	76	51.6 Å²	51.6	29%	0.287	27%	0.271	S	S	.	.			trans	-74.3	69.7	164.6	-170.2	-174.7	175.1	-177.6	13.1	110.4	Y300 L301 M310 E311 D319	Y300-R308 HydrophobicContact CD2-CB 4.31Å; Y300-R308 HydrophobicContact CD2-CG 3.86Å; Y300-R308 HydrophobicContact CG-CG 4.17Å; L301-R308 WeakPolarHBondContact O-CA 3.36Å; R308-M310 PolarHBondContact O-N 3.48Å; R308-E311 HydrophobicContact CG-CG 4.2Å; R308-E311 IonicContact CZ-OE1 3.44Å; R308-E311 IonicContact NE-OE1 3.32Å; R308-E311 IonicContact NH1-OE1 2.73Å; R308-E311 PolarHBondContact NH1-OE1 3.03Å; R308-E311 PolarHBondContact O-N 2.81Å; R308-E311 VanDerWaalsContact O-N 3.1Å; R308-D319 IonicContact CZ-OD2 3.6Å; R308-D319 VanDerWaalsContact CZ-OD2 3.23Å; R308-D319 IonicContact NE-OD2 3.68Å; R308-D319 PolarHBondContact NE-OD2 3.09Å; R308-D319 IonicContact NH2-OD2 2.82Å; R308-D319 PolarHBondContact NH2-OD2 2.79Å
309	F	98.7	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.1	-166.2	61.4	-93.3	0	0	0	114.5	L301 N303 E307 E311 R312 Y313 A329 M330 E333 I347	L301-F309 HydrophobicContact CB-CE1 3.71Å; L301-F309 HydrophobicContact CB-CE2 4.47Å; L301-F309 HydrophobicContact CB-CZ 3.55Å; L301-F309 HydrophobicContact CD1-CZ 4.1Å; L301-F309 HydrophobicContact CG-CZ 4.44Å; N303-F309 HydrophobicContact CB-CD1 3.91Å; N303-F309 HydrophobicContact CB-CE1 4.41Å; E307-F309 HydrophobicContact CG-CB 4.29Å; E307-F309 PolarHBondContact O-N 3.48Å; F309-E311 PolarHBondContact O-N 2.85Å; F309-R312 WeakPolarHBondContact O-CB 3.3Å; F309-R312 PolarHBondContact O-N 2.95Å; F309-Y313 HydrophobicContact CB-CD2 4.47Å; F309-Y313 HydrophobicContact CB-CE2 4.19Å; F309-Y313 AromaticContact CD2-CD2 3.85Å; F309-Y313 HydrophobicContact CD2-CD2 3.85Å; F309-Y313 AromaticContact CD2-CE2 3.83Å; F309-Y313 HydrophobicContact CD2-CE2 3.83Å; F309-Y313 HydrophobicContact CG-CE2 4.44Å; F309-Y313 WeakPolarHBondContact O-CD2 3.46Å; F309-Y313 PolarHBondContact O-N 2.86Å; F309-A329 HydrophobicContact CE2-CB 4.3Å; F309-M330 HydrophobicContact CE2-CG 4.1Å; F309-M330 HydrophobicContact CZ-CG 3.84Å; F309-E333 HydrophobicContact CB-CG 4.16Å; F309-E333 HydrophobicContact CD1-CG 4.1Å; F309-E333 HydrophobicContact CD2-CG 3.63Å; F309-E333 HydrophobicContact CE1-CG 4.45Å; F309-E333 HydrophobicContact CE2-CG 4.02Å; F309-E333 HydrophobicContact CG-CG 3.68Å; F309-E333 HydrophobicContact CZ-CG 4.42Å; F309-I347 HydrophobicContact CE1-CD1 4.28Å; F309-I347 HydrophobicContact CE1-CG1 4.47Å; F309-I347 HydrophobicContact CE1-CG2 3.64Å; F309-I347 HydrophobicContact CZ-CG1 4.44Å; F309-I347 HydrophobicContact CZ-CG2 3.82Å
310	M	98.8	Very high	98.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-21.3	177.2	-76.4	-54.8	-50.8	0	0	113.7	L301 R308 R312 Y313 A314 K318 A321 V326 A329	L301-M310 HydrophobicContact CD1-CG 4.18Å; R308-M310 PolarHBondContact O-N 3.48Å; M310-R312 PolarHBondContact O-N 3.45Å; M310-Y313 PolarHBondContact O-N 3.35Å; M310-A314 HydrophobicContact CE-CB 3.82Å; M310-A314 CarbonylContact O-C 3.59Å; M310-A314 PolarHBondContact O-N 2.6Å; M310-K318 VanDerWaalsContact CE-O 3.28Å; M310-K318 WeakPolarHBondContact CE-O 3.35Å; M310-A321 HydrophobicContact CE-CB 4.09Å; M310-V326 HydrophobicContact CE-CB 4.43Å; M310-V326 HydrophobicContact CE-CG2 3.87Å; M310-V326 HydrophobicContact SD-CB 4.39Å; M310-V326 HydrophobicContact SD-CG1 4.06Å; M310-V326 HydrophobicContact SD-CG2 4.38Å; M310-A329 HydrophobicContact CE-CB 4.49Å; M310-A329 HydrophobicContact SD-CB 3.57Å; M310-A329 VanDerWaalsContact SD-CB 3.57Å
311	E	98.5	Very high	98	Very high	93 Å²	93	48.7 Å²	48.7	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-63.3	-27.5	171.4	-63	-171.6	154.2	0	0	112.6	R308 F309 P315 K318	R308-E311 HydrophobicContact CG-CG 4.2Å; R308-E311 IonicContact CZ-OE1 3.44Å; R308-E311 IonicContact NE-OE1 3.32Å; R308-E311 IonicContact NH1-OE1 2.73Å; R308-E311 PolarHBondContact NH1-OE1 3.03Å; R308-E311 PolarHBondContact O-N 2.81Å; R308-E311 VanDerWaalsContact O-N 3.1Å; F309-E311 PolarHBondContact O-N 2.85Å; E311-P315 WeakPolarHBondContact O-CA 3.3Å; E311-K318 HydrophobicContact CG-CD 3.85Å; E311-K318 HydrophobicContact CG-CG 4.07Å
312	R	98.4	Very high	98	Very high	111 Å²	111	48.7 Å²	48.7	42%	0.419	25%	0.251	S	S	.	.	H	α-helix	trans	-82.6	-40.4	176.3	175.8	161.9	49.3	80.5	-0.3	112.6	E307 F309 M310 E333	E307-R312 IonicContact OE1-CZ 3.57Å; E307-R312 IonicContact OE1-NE 2.7Å; E307-R312 PolarHBondContact OE1-NE 3.09Å; E307-R312 IonicContact OE1-NH2 2.7Å; E307-R312 PolarHBondContact OE1-NH2 2.84Å; E307-R312 IonicContact OE2-NH2 2.8Å; E307-R312 PolarHBondContact OE2-NH2 3.17Å; F309-R312 WeakPolarHBondContact O-CB 3.3Å; F309-R312 PolarHBondContact O-N 2.95Å; M310-R312 PolarHBondContact O-N 3.45Å; R312-E333 IonicContact CZ-OE1 3.65Å; R312-E333 IonicContact NH1-OE1 3.9Å; R312-E333 IonicContact NH2-OE1 2.64Å; R312-E333 PolarHBondContact NH2-OE1 3.37Å; R312-E333 IonicContact NH2-OE2 3.97Å
313	Y	98.2	Very high	97.9	Very high	62 Å²	62	48.3 Å²	48.3	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-82.8	-31.1	-176.3	-67.9	-81.4	0	0	0	114.1	F309 M310 A329 I332 E333	F309-Y313 HydrophobicContact CB-CD2 4.47Å; F309-Y313 HydrophobicContact CB-CE2 4.19Å; F309-Y313 AromaticContact CD2-CD2 3.85Å; F309-Y313 HydrophobicContact CD2-CD2 3.85Å; F309-Y313 AromaticContact CD2-CE2 3.83Å; F309-Y313 HydrophobicContact CD2-CE2 3.83Å; F309-Y313 HydrophobicContact CG-CE2 4.44Å; F309-Y313 WeakPolarHBondContact O-CD2 3.46Å; F309-Y313 PolarHBondContact O-N 2.86Å; M310-Y313 PolarHBondContact O-N 3.35Å; Y313-A329 HydrophobicContact CD1-CB 3.97Å; Y313-A329 HydrophobicContact CD2-CB 3.62Å; Y313-A329 HydrophobicContact CE1-CB 4.39Å; Y313-A329 HydrophobicContact CE2-CB 4.07Å; Y313-A329 HydrophobicContact CG-CB 3.56Å; Y313-I332 HydrophobicContact CE1-CD1 4.15Å; Y313-I332 HydrophobicContact CE1-CG2 4.39Å; Y313-I332 WeakPolarHBondContact OH-CG2 3.45Å; Y313-E333 HydrophobicContact CE2-CG 4.04Å; Y313-E333 VanDerWaalsContact CE2-OE1 3.23Å; Y313-E333 WeakPolarHBondContact CE2-OE1 3.3Å; Y313-E333 PolarHBondContact OH-OE1 3.28Å
314	A	98	Very high	97.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	25%	0.249	C	C	.	.			trans	-140.4	78.3	-179.6	0	0	0	0	0	110.5	M310 N316 K318 A321 Y650	M310-A314 HydrophobicContact CE-CB 3.82Å; M310-A314 CarbonylContact O-C 3.59Å; M310-A314 PolarHBondContact O-N 2.6Å; A314-N316 VanDerWaalsContact C-N 3.28Å; A314-N316 PolarHBondContact O-N 2.93Å; A314-N316 VanDerWaalsContact O-N 3.13Å; A314-K318 WeakPolarHBondContact O-CA 2.94Å; A314-K318 PolarHBondContact O-N 3.48Å; A314-A321 HydrophobicContact CB-CB 3.63Å; A314-Y650 CarbonylContact C-O 3.39Å; A314-Y650 VanDerWaalsContact C-O 3.31Å; A314-Y650 WeakPolarHBondContact CA-O 3.38Å; A314-Y650 WeakPolarHBondContact CB-O 3.37Å
315	P	96.5	Very high	97.9	Very high	78 Å²	78	47 Å²	47	51%	0.506	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.1	-168.1	-28.6	36.4	0	0	0	115.2	E311 K318	E311-P315 WeakPolarHBondContact O-CA 3.3Å; P315-K318 PolarHBondContact O-NZ 2.99Å
316	N	93.9	Very high	98	Very high	129 Å²	129	39.2 Å²	39.2	69%	0.69	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-57.6	-179.6	-38.5	-65.1	0	0	0	110.9	A314 Y650	A314-N316 VanDerWaalsContact C-N 3.28Å; A314-N316 PolarHBondContact O-N 2.93Å; A314-N316 VanDerWaalsContact O-N 3.13Å; N316-Y650 WeakPolarHBondContact CB-OXT 3.21Å; N316-Y650 PolarHBondContact N-OXT 3.18Å; N316-Y650 PolarHBondContact ND2-OXT 3.13Å
317	A	96.6	Very high	98	Very high	23 Å²	23	36.9 Å²	36.9	19%	0.19	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.5	-173.2	0	0	0	0	0	114.5	D319 L320 A321 Y650	A317-D319 PolarHBondContact O-N 2.66Å; A317-L320 CarbonylContact O-C 3.31Å; A317-L320 WeakPolarHBondContact O-CA 3.38Å; A317-L320 WeakPolarHBondContact O-CB 3.43Å; A317-L320 PolarHBondContact O-N 2.74Å; A317-A321 HydrophobicContact CB-CB 4.13Å; A317-Y650 HydrophobicContact CB-CD1 4.29Å; A317-Y650 WeakPolarHBondContact CB-OXT 3.2Å; A317-Y650 PolarHBondContact N-OXT 3.17Å
318	K	98.2	Very high	98	Very high	65 Å²	65	36.3 Å²	36.3	28%	0.283	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	49.7	-128.5	-177	-56.6	176.2	174.8	56.5	0	110.8	M310 E311 A314 P315 L320 A321	M310-K318 VanDerWaalsContact CE-O 3.28Å; M310-K318 WeakPolarHBondContact CE-O 3.35Å; E311-K318 HydrophobicContact CG-CD 3.85Å; E311-K318 HydrophobicContact CG-CG 4.07Å; A314-K318 WeakPolarHBondContact O-CA 2.94Å; A314-K318 PolarHBondContact O-N 3.48Å; P315-K318 PolarHBondContact O-NZ 2.99Å; K318-L320 PolarHBondContact O-N 2.76Å; K318-L320 VanDerWaalsContact O-N 3.12Å; K318-A321 WeakPolarHBondContact O-CB 3.3Å; K318-A321 PolarHBondContact O-N 3.42Å
319	D	98.6	Very high	98	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.011	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.8	-15	177.6	-55.8	-91.3	0	0	0	113.5	R295 Y300 L301 R308 A317	R295-D319 HydrophobicContact CB-CB 4.3Å; R295-D319 WeakPolarHBondContact CD-O 3.43Å; R295-D319 HydrophobicContact CG-CB 4.11Å; R295-D319 PolarHBondContact NH1-O 2.8Å; Y300-D319 WeakPolarHBondContact CA-OD1 3.47Å; Y300-D319 WeakPolarHBondContact CB-OD2 3.39Å; L301-D319 PolarHBondContact N-OD1 2.85Å; R308-D319 IonicContact CZ-OD2 3.6Å; R308-D319 VanDerWaalsContact CZ-OD2 3.23Å; R308-D319 IonicContact NE-OD2 3.68Å; R308-D319 PolarHBondContact NE-OD2 3.09Å; R308-D319 IonicContact NH2-OD2 2.82Å; R308-D319 PolarHBondContact NH2-OD2 2.79Å; A317-D319 PolarHBondContact O-N 2.66Å
320	L	98.5	Very high	98	Very high	22 Å²	22	32.8 Å²	32.8	12%	0.115	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-98.4	19.7	174.6	-64.7	178.1	0	0	0	113	A155 G157 G158 Q168 R295 A317 K318	A155-L320 HydrophobicContact CB-CD1 3.97Å; G157-L320 CarbonylContact C-O 3.56Å; G157-L320 VanDerWaalsContact CA-O 3.28Å; G157-L320 WeakPolarHBondContact CA-O 3.3Å; G158-L320 PolarHBondContact N-O 3.41Å; Q168-L320 HydrophobicContact CG-CD1 4.23Å; Q168-L320 VanDerWaalsContact OE1-CD1 3.31Å; R295-L320 HydrophobicContact CB-CD2 3.94Å; A317-L320 CarbonylContact O-C 3.31Å; A317-L320 WeakPolarHBondContact O-CA 3.38Å; A317-L320 WeakPolarHBondContact O-CB 3.43Å; A317-L320 PolarHBondContact O-N 2.74Å; K318-L320 PolarHBondContact O-N 2.76Å; K318-L320 VanDerWaalsContact O-N 3.12Å
321	A	97.8	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	-61.4	170.5	163.5	0	0	0	0	0	111.8	M310 A314 A317 K318 V325 V326 Y650	M310-A321 HydrophobicContact CE-CB 4.09Å; A314-A321 HydrophobicContact CB-CB 3.63Å; A317-A321 HydrophobicContact CB-CB 4.13Å; K318-A321 WeakPolarHBondContact O-CB 3.3Å; K318-A321 PolarHBondContact O-N 3.42Å; A321-V325 HydrophobicContact CB-CB 4.39Å; A321-V325 HydrophobicContact CB-CG1 4.18Å; A321-V326 HydrophobicContact CB-CG2 3.91Å; A321-Y650 HydrophobicContact CB-CG 4.23Å
322	S	97.9	Very high	98	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.157	C	C	.	.			trans	-62.3	149.4	175.7	65.7	0	0	0	0	111.8	D324 V325 V326 R648 Y650	S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 WeakPolarHBondContact CB-OD1 3.48Å; S322-D324 PolarHBondContact O-N 2.87Å; S322-D324 PolarHBondContact OG-OD1 3.42Å; S322-V325 WeakPolarHBondContact O-CB 3.13Å; S322-V325 PolarHBondContact O-N 3.14Å; S322-V325 VanDerWaalsContact OG-CG2 3.32Å; S322-V325 WeakPolarHBondContact OG-CG2 3.39Å; S322-V326 WeakPolarHBondContact O-CG2 3.42Å; S322-V326 PolarHBondContact O-N 2.88Å; S322-R648 VanDerWaalsContact CB-NH2 3.28Å; S322-R648 PolarHBondContact OG-NH1 2.94Å; S322-R648 PolarHBondContact OG-NH2 3.45Å; S322-R648 VanDerWaalsContact OG-NH2 3.08Å; S322-Y650 WeakPolarHBondContact OG-CE2 3.18Å
323	R	98.7	Very high	98	Very high	11 Å²	11	26.2 Å²	26.2	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-41.4	-174.4	-71.5	172.6	172.4	-163.9	-10.7	113.4	Q277 H279 P280 E292 V325 V326 S327 H390	Q277-R323 VanDerWaalsContact CD-CD 3.42Å; Q277-R323 HydrophobicContact CG-CB 4.48Å; Q277-R323 VanDerWaalsContact OE1-CD 3.28Å; H279-R323 PolarHBondContact CD2-NH2 2.76Å; H279-R323 VanDerWaalsContact CD2-NH2 3.3Å; H279-R323 PolarHBondContact NE2-NH2 3.04Å; H279-R323 VanDerWaalsContact NE2-NH2 3.15Å; P280-R323 HydrophobicContact CG-CB 4.36Å; P280-R323 HydrophobicContact CG-CG 4.37Å; E292-R323 IonicContact OE1-NE 3.86Å; E292-R323 VanDerWaalsContact OE2-CG 3.3Å; E292-R323 WeakPolarHBondContact OE2-CG 3.2Å; E292-R323 IonicContact OE2-CZ 3.95Å; E292-R323 IonicContact OE2-NE 3.68Å; E292-R323 PolarHBondContact OE2-NE 3.25Å; E292-R323 VanDerWaalsContact OE2-NE 3.1Å; E292-R323 IonicContact OE2-NH2 3.38Å; R323-V325 VanDerWaalsContact C-N 3.31Å; R323-V325 PolarHBondContact O-N 3.17Å; R323-V326 PolarHBondContact O-N 3.07Å; R323-S327 VanDerWaalsContact O-CB 3.24Å; R323-S327 WeakPolarHBondContact O-CB 3.27Å; R323-S327 PolarHBondContact O-N 3.37Å; R323-S327 PolarHBondContact O-OG 3.12Å; R323-S327 VanDerWaalsContact O-OG 3.11Å; R323-H390 PolarHBondContact NH1-CD2 3.37Å; R323-H390 PolarHBondContact NH1-NE2 2.95Å
324	D	98.3	Very high	98	Very high	7 Å²	7	25 Å²	25	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-39.5	176.8	66.5	-64.1	0	0	0	112.6	S322 R328 N435 G576 A577 R648	S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 WeakPolarHBondContact CB-OD1 3.48Å; S322-D324 PolarHBondContact O-N 2.87Å; S322-D324 PolarHBondContact OG-OD1 3.42Å; D324-R328 WeakPolarHBondContact O-CB 3.43Å; D324-R328 WeakPolarHBondContact O-CG 3.49Å; D324-R328 PolarHBondContact O-N 3.23Å; D324-R328 VanDerWaalsContact O-N 3.08Å; D324-R328 PolarHBondContact O-NH1 3.13Å; D324-R328 IonicContact OD2-CZ 3.97Å; D324-R328 IonicContact OD2-NH1 3.84Å; D324-R328 PolarHBondContact OD2-NH1 2.95Å; D324-R328 IonicContact OD2-NH2 2.78Å; D324-R328 PolarHBondContact OD2-NH2 3.29Å; D324-N435 HydrophobicContact CB-CB 4.29Å; D324-N435 PolarHBondContact N-OD1 2.74Å; D324-N435 PolarHBondContact OD1-ND2 3.01Å; D324-N435 PolarHBondContact OD1-OD1 3.06Å; D324-G576 WeakPolarHBondContact CB-O 3.35Å; D324-A577 HydrophobicContact CB-CB 4.39Å; D324-R648 IonicContact OD1-CZ 3.27Å; D324-R648 IonicContact OD1-NH1 2.71Å; D324-R648 PolarHBondContact OD1-NH1 3Å; D324-R648 IonicContact OD1-NH2 3.66Å; D324-R648 PolarHBondContact OD1-NH2 3.16Å; D324-R648 IonicContact OD2-CZ 2.66Å; D324-R648 IonicContact OD2-NH1 3.7Å; D324-R648 PolarHBondContact OD2-NH1 3.3Å; D324-R648 IonicContact OD2-NH2 2.75Å
325	V	98.4	Very high	98	Very high	26 Å²	26	31.6 Å²	31.6	16%	0.158	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-48.8	177.6	172.3	0	0	0	0	110.7	A321 S322 R323 S327 R328 A329 Y650	A321-V325 HydrophobicContact CB-CB 4.39Å; A321-V325 HydrophobicContact CB-CG1 4.18Å; S322-V325 WeakPolarHBondContact O-CB 3.13Å; S322-V325 PolarHBondContact O-N 3.14Å; S322-V325 VanDerWaalsContact OG-CG2 3.32Å; S322-V325 WeakPolarHBondContact OG-CG2 3.39Å; R323-V325 VanDerWaalsContact C-N 3.31Å; R323-V325 PolarHBondContact O-N 3.17Å; V325-S327 PolarHBondContact O-N 2.8Å; V325-R328 PolarHBondContact O-N 3.3Å; V325-A329 WeakPolarHBondContact O-CB 3.46Å; V325-A329 PolarHBondContact O-N 2.78Å; V325-Y650 HydrophobicContact CG2-CD2 4.3Å
326	V	98.8	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-44.4	-179.8	-175.7	0	0	0	0	110.7	P280 L301 M310 A321 S322 R323 R328 A329 M330	P280-V326 HydrophobicContact CB-CB 4.17Å; P280-V326 HydrophobicContact CB-CG1 3.66Å; P280-V326 HydrophobicContact CG-CB 3.75Å; P280-V326 HydrophobicContact CG-CG1 3.81Å; L301-V326 HydrophobicContact CD1-CG1 3.48Å; L301-V326 VanDerWaalsContact CD1-CG1 3.48Å; M310-V326 HydrophobicContact CE-CB 4.43Å; M310-V326 HydrophobicContact CE-CG2 3.87Å; M310-V326 HydrophobicContact SD-CB 4.39Å; M310-V326 HydrophobicContact SD-CG1 4.06Å; M310-V326 HydrophobicContact SD-CG2 4.38Å; A321-V326 HydrophobicContact CB-CG2 3.91Å; S322-V326 WeakPolarHBondContact O-CG2 3.42Å; S322-V326 PolarHBondContact O-N 2.88Å; R323-V326 PolarHBondContact O-N 3.07Å; V326-R328 PolarHBondContact O-N 2.7Å; V326-A329 PolarHBondContact O-N 3.43Å; V326-M330 HydrophobicContact CG1-CG 4.46Å; V326-M330 HydrophobicContact CG1-SD 4.16Å; V326-M330 VanDerWaalsContact O-CG 3.31Å; V326-M330 WeakPolarHBondContact O-CG 3.34Å; V326-M330 PolarHBondContact O-N 3Å
327	S	98.7	Very high	98.3	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-40.4	178.1	-71.4	0	0	0	0	112.2	F278 P280 R323 V325 T331 P387	F278-S327 PolarHBondContact O-OG 3.21Å; P280-S327 WeakPolarHBondContact CA-OG 3.48Å; R323-S327 VanDerWaalsContact O-CB 3.24Å; R323-S327 WeakPolarHBondContact O-CB 3.27Å; R323-S327 PolarHBondContact O-N 3.37Å; R323-S327 PolarHBondContact O-OG 3.12Å; R323-S327 VanDerWaalsContact O-OG 3.11Å; V325-S327 PolarHBondContact O-N 2.8Å; S327-T331 WeakPolarHBondContact O-CB 3.47Å; S327-T331 PolarHBondContact O-N 3.27Å; S327-T331 PolarHBondContact O-OG1 2.98Å; S327-P387 WeakPolarHBondContact O-CG 3.11Å
328	R	98.6	Very high	98.4	Very high	53 Å²	53	29.2 Å²	29.2	20%	0.2	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-47	172.8	-80.5	-169.2	-63	-83.9	0.2	112.2	D324 V325 V326 M330 T331 I332 V510 F511 G576	D324-R328 WeakPolarHBondContact O-CB 3.43Å; D324-R328 WeakPolarHBondContact O-CG 3.49Å; D324-R328 PolarHBondContact O-N 3.23Å; D324-R328 VanDerWaalsContact O-N 3.08Å; D324-R328 PolarHBondContact O-NH1 3.13Å; D324-R328 IonicContact OD2-CZ 3.97Å; D324-R328 IonicContact OD2-NH1 3.84Å; D324-R328 PolarHBondContact OD2-NH1 2.95Å; D324-R328 IonicContact OD2-NH2 2.78Å; D324-R328 PolarHBondContact OD2-NH2 3.29Å; V325-R328 PolarHBondContact O-N 3.3Å; V326-R328 PolarHBondContact O-N 2.7Å; R328-M330 PolarHBondContact O-N 3.41Å; R328-T331 WeakPolarHBondContact O-CB 3.41Å; R328-T331 PolarHBondContact O-N 2.88Å; R328-T331 VanDerWaalsContact O-N 3.12Å; R328-I332 WeakPolarHBondContact O-CG1 3.43Å; R328-I332 PolarHBondContact O-N 2.61Å; R328-V510 HydrophobicContact CG-CG1 3.82Å; R328-F511 HydrophobicContact CB-CE2 4.18Å; R328-F511 HydrophobicContact CB-CZ 3.78Å; R328-F511 HydrophobicContact CG-CE1 4.06Å; R328-F511 HydrophobicContact CG-CE2 4.12Å; R328-F511 HydrophobicContact CG-CZ 3.67Å; R328-G576 PolarHBondContact NH1-O 2.95Å
329	A	98.6	Very high	98.4	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-57.2	-49.2	178.7	0	0	0	0	0	111.5	F309 M310 Y313 V325 V326 T331 I332 E333	F309-A329 HydrophobicContact CE2-CB 4.3Å; M310-A329 HydrophobicContact CE-CB 4.49Å; M310-A329 HydrophobicContact SD-CB 3.57Å; M310-A329 VanDerWaalsContact SD-CB 3.57Å; Y313-A329 HydrophobicContact CD1-CB 3.97Å; Y313-A329 HydrophobicContact CD2-CB 3.62Å; Y313-A329 HydrophobicContact CE1-CB 4.39Å; Y313-A329 HydrophobicContact CE2-CB 4.07Å; Y313-A329 HydrophobicContact CG-CB 3.56Å; V325-A329 WeakPolarHBondContact O-CB 3.46Å; V325-A329 PolarHBondContact O-N 2.78Å; V326-A329 PolarHBondContact O-N 3.43Å; A329-T331 VanDerWaalsContact C-N 3.3Å; A329-T331 PolarHBondContact O-N 2.86Å; A329-I332 PolarHBondContact O-N 3.43Å; A329-E333 WeakPolarHBondContact O-CG 3.27Å; A329-E333 PolarHBondContact O-N 3.17Å
330	M	98.8	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-43.6	174.3	-69.3	174.3	77.9	0	0	112.3	P280 L301 F309 V326 R328 E333 I334 I347 V385 P387	P280-M330 HydrophobicContact CB-SD 3.75Å; P280-M330 WeakPolarHBondContact O-CE 3.5Å; L301-M330 HydrophobicContact CD1-CG 3.98Å; L301-M330 HydrophobicContact CD1-SD 3.76Å; L301-M330 HydrophobicContact CD2-CE 4.22Å; L301-M330 HydrophobicContact CD2-SD 4.45Å; F309-M330 HydrophobicContact CE2-CG 4.1Å; F309-M330 HydrophobicContact CZ-CG 3.84Å; V326-M330 HydrophobicContact CG1-CG 4.46Å; V326-M330 HydrophobicContact CG1-SD 4.16Å; V326-M330 VanDerWaalsContact O-CG 3.31Å; V326-M330 WeakPolarHBondContact O-CG 3.34Å; V326-M330 PolarHBondContact O-N 3Å; R328-M330 PolarHBondContact O-N 3.41Å; M330-E333 PolarHBondContact O-N 3.39Å; M330-I334 WeakPolarHBondContact O-CG1 3.3Å; M330-I334 PolarHBondContact O-N 3.03Å; M330-I347 HydrophobicContact CB-CG1 4.31Å; M330-I347 HydrophobicContact CE-CB 3.78Å; M330-I347 HydrophobicContact CE-CG1 4.27Å; M330-I347 HydrophobicContact CE-CG2 4.03Å; M330-I347 HydrophobicContact CG-CG1 4.43Å; M330-V385 HydrophobicContact CE-CG2 3.92Å; M330-P387 HydrophobicContact CB-CG 3.84Å; M330-P387 HydrophobicContact CE-CG 4.49Å; M330-P387 HydrophobicContact SD-CG 4.14Å
331	T	98.3	Very high	98.3	Very high	22 Å²	22	27 Å²	27	14%	0.135	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-38.9	179.7	-55.3	0	0	0	0	111.7	S327 R328 A329 I334 R335 F511	S327-T331 WeakPolarHBondContact O-CB 3.47Å; S327-T331 PolarHBondContact O-N 3.27Å; S327-T331 PolarHBondContact O-OG1 2.98Å; R328-T331 WeakPolarHBondContact O-CB 3.41Å; R328-T331 PolarHBondContact O-N 2.88Å; R328-T331 VanDerWaalsContact O-N 3.12Å; A329-T331 VanDerWaalsContact C-N 3.3Å; A329-T331 PolarHBondContact O-N 2.86Å; T331-I334 PolarHBondContact O-N 3.05Å; T331-R335 HydrophobicContact CG2-CG 4.47Å; T331-R335 WeakPolarHBondContact O-CB 3.07Å; T331-R335 WeakPolarHBondContact O-CG 3.39Å; T331-R335 PolarHBondContact O-N 3.5Å; T331-F511 HydrophobicContact CG2-CD2 3.7Å; T331-F511 HydrophobicContact CG2-CE2 3.97Å
332	I	98.4	Very high	98.2	Very high	44 Å²	44	33.5 Å²	33.5	23%	0.226	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-47.9	174.1	-67.5	165.5	0	0	0	110.3	Y313 R328 A329 I334 R335 E336 F511	Y313-I332 HydrophobicContact CE1-CD1 4.15Å; Y313-I332 HydrophobicContact CE1-CG2 4.39Å; Y313-I332 WeakPolarHBondContact OH-CG2 3.45Å; R328-I332 WeakPolarHBondContact O-CG1 3.43Å; R328-I332 PolarHBondContact O-N 2.61Å; A329-I332 PolarHBondContact O-N 3.43Å; I332-I334 VanDerWaalsContact C-N 3.27Å; I332-I334 PolarHBondContact O-N 3.14Å; I332-R335 PolarHBondContact O-N 3Å; I332-E336 HydrophobicContact CG2-CG 4.16Å; I332-E336 WeakPolarHBondContact CG2-OE1 3.17Å; I332-E336 WeakPolarHBondContact O-CB 3.47Å; I332-E336 WeakPolarHBondContact O-CG 3.41Å; I332-E336 PolarHBondContact O-N 2.93Å; I332-F511 HydrophobicContact CD1-CE2 4.4Å; I332-F511 HydrophobicContact CD1-CZ 3.86Å; I332-F511 HydrophobicContact CG1-CE2 3.78Å; I332-F511 HydrophobicContact CG1-CZ 3.72Å
333	E	98.8	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-55.9	-42.8	178	-69	-63.6	116.9	0	0	112.2	N303 F309 R312 Y313 A329 M330 R338 G339 I347	N303-E333 PolarHBondContact ND2-OE2 3.08Å; F309-E333 HydrophobicContact CB-CG 4.16Å; F309-E333 HydrophobicContact CD1-CG 4.1Å; F309-E333 HydrophobicContact CD2-CG 3.63Å; F309-E333 HydrophobicContact CE1-CG 4.45Å; F309-E333 HydrophobicContact CE2-CG 4.02Å; F309-E333 HydrophobicContact CG-CG 3.68Å; F309-E333 HydrophobicContact CZ-CG 4.42Å; R312-E333 IonicContact CZ-OE1 3.65Å; R312-E333 IonicContact NH1-OE1 3.9Å; R312-E333 IonicContact NH2-OE1 2.64Å; R312-E333 PolarHBondContact NH2-OE1 3.37Å; R312-E333 IonicContact NH2-OE2 3.97Å; Y313-E333 HydrophobicContact CE2-CG 4.04Å; Y313-E333 VanDerWaalsContact CE2-OE1 3.23Å; Y313-E333 WeakPolarHBondContact CE2-OE1 3.3Å; Y313-E333 PolarHBondContact OH-OE1 3.28Å; A329-E333 WeakPolarHBondContact O-CG 3.27Å; A329-E333 PolarHBondContact O-N 3.17Å; M330-E333 PolarHBondContact O-N 3.39Å; E333-R338 VanDerWaalsContact CD-NE 3.32Å; E333-R338 CarbonylContact O-C 3.49Å; E333-R338 WeakPolarHBondContact O-CA 3.41Å; E333-R338 WeakPolarHBondContact O-CB 3.42Å; E333-R338 PolarHBondContact O-N 2.99Å; E333-R338 IonicContact OE1-CZ 3.65Å; E333-R338 IonicContact OE1-NE 3.12Å; E333-R338 PolarHBondContact OE1-NE 2.75Å; E333-R338 IonicContact OE1-NH2 2.91Å; E333-R338 PolarHBondContact OE1-NH2 2.93Å; E333-R338 IonicContact OE2-CZ 3.37Å; E333-R338 IonicContact OE2-NE 3.53Å; E333-R338 PolarHBondContact OE2-NE 3.42Å; E333-R338 IonicContact OE2-NH2 2.75Å; E333-G339 PolarHBondContact O-N 2.81Å; E333-I347 HydrophobicContact CB-CD1 4.03Å
334	I	98.4	Very high	98.1	Very high	38 Å²	38	47.1 Å²	47.1	20%	0.195	24%	0.238	C	C	.	.	I	π-helix	trans	-65	-51.8	176.3	-68.8	163.5	0	0	0	110.7	M330 T331 I332 E336 G337 I347	M330-I334 WeakPolarHBondContact O-CG1 3.3Å; M330-I334 PolarHBondContact O-N 3.03Å; T331-I334 PolarHBondContact O-N 3.05Å; I332-I334 VanDerWaalsContact C-N 3.27Å; I332-I334 PolarHBondContact O-N 3.14Å; I334-E336 VanDerWaalsContact C-N 3.26Å; I334-E336 PolarHBondContact O-N 3.15Å; I334-G337 PolarHBondContact O-N 3.04Å; I334-I347 HydrophobicContact CD1-CG1 4.19Å; I334-I347 HydrophobicContact CG1-CD1 4.19Å; I334-I347 HydrophobicContact CG1-CG1 4.07Å
335	R	97.1	Very high	98.1	Very high	138 Å²	138	48.5 Å²	48.5	52%	0.521	25%	0.245	S	C	.	.	I	π-helix	trans	-59.2	-35.4	-179.5	-77	179.1	172.5	-164.6	-4.9	112.6	T331 I332 G337 E581	T331-R335 HydrophobicContact CG2-CG 4.47Å; T331-R335 WeakPolarHBondContact O-CB 3.07Å; T331-R335 WeakPolarHBondContact O-CG 3.39Å; T331-R335 PolarHBondContact O-N 3.5Å; I332-R335 PolarHBondContact O-N 3Å; R335-G337 PolarHBondContact O-N 3.14Å; R335-E581 IonicContact CZ-OE2 3.49Å; R335-E581 IonicContact NH1-OE1 2.96Å; R335-E581 PolarHBondContact NH1-OE1 2.92Å; R335-E581 IonicContact NH1-OE2 3.18Å; R335-E581 PolarHBondContact NH1-OE2 3.43Å; R335-E581 IonicContact NH2-OE2 3.37Å
336	E	98.2	Very high	98.1	Very high	114 Å²	114	47.7 Å²	47.7	53%	0.533	24%	0.24	S	C	.	.	I	π-helix	trans	-87.1	20.6	178.2	-62.9	-175.5	-176	0	0	113.4	I332 I334 R338	I332-E336 HydrophobicContact CG2-CG 4.16Å; I332-E336 WeakPolarHBondContact CG2-OE1 3.17Å; I332-E336 WeakPolarHBondContact O-CB 3.47Å; I332-E336 WeakPolarHBondContact O-CG 3.41Å; I332-E336 PolarHBondContact O-N 2.93Å; I334-E336 VanDerWaalsContact C-N 3.26Å; I334-E336 PolarHBondContact O-N 3.15Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 PolarHBondContact O-N 2.93Å; E336-R338 IonicContact OE2-CZ 3.22Å; E336-R338 IonicContact OE2-NH1 3.55Å; E336-R338 PolarHBondContact OE2-NH1 2.85Å; E336-R338 IonicContact OE2-NH2 2.75Å; E336-R338 PolarHBondContact OE2-NH2 3.38Å
337	G	97.9	Very high	98.1	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	24%	0.24	S	C	.	.	I	π-helix	trans	76.2	12.8	169.5	0	0	0	0	0	115.3	I334 R335 K344	I334-G337 PolarHBondContact O-N 3.04Å; R335-G337 PolarHBondContact O-N 3.14Å; G337-K344 PolarHBondContact O-NZ 2.93Å; G337-K344 VanDerWaalsContact O-NZ 3.17Å
338	R	98.6	Very high	98.1	Very high	32 Å²	32	50.3 Å²	50.3	12%	0.121	25%	0.251	C	S	.	.	I	π-helix	trans	-99.8	10.1	177.6	-58.6	-176.7	-65.2	-84.2	5.5	113.1	N303 S304 E333 E336	N303-R338 HydrophobicContact CB-CB 4.16Å; N303-R338 WeakPolarHBondContact CB-O 3.38Å; S304-R338 PolarHBondContact N-O 2.93Å; S304-R338 VanDerWaalsContact OG-C 3.28Å; S304-R338 WeakPolarHBondContact OG-CA 3.39Å; S304-R338 PolarHBondContact OG-O 2.7Å; E333-R338 VanDerWaalsContact CD-NE 3.32Å; E333-R338 CarbonylContact O-C 3.49Å; E333-R338 WeakPolarHBondContact O-CA 3.41Å; E333-R338 WeakPolarHBondContact O-CB 3.42Å; E333-R338 PolarHBondContact O-N 2.99Å; E333-R338 IonicContact OE1-CZ 3.65Å; E333-R338 IonicContact OE1-NE 3.12Å; E333-R338 PolarHBondContact OE1-NE 2.75Å; E333-R338 IonicContact OE1-NH2 2.91Å; E333-R338 PolarHBondContact OE1-NH2 2.93Å; E333-R338 IonicContact OE2-CZ 3.37Å; E333-R338 IonicContact OE2-NE 3.53Å; E333-R338 PolarHBondContact OE2-NE 3.42Å; E333-R338 IonicContact OE2-NH2 2.75Å; E336-R338 VanDerWaalsContact C-N 3.31Å; E336-R338 PolarHBondContact O-N 2.93Å; E336-R338 IonicContact OE2-CZ 3.22Å; E336-R338 IonicContact OE2-NH1 3.55Å; E336-R338 PolarHBondContact OE2-NH1 2.85Å; E336-R338 IonicContact OE2-NH2 2.75Å; E336-R338 PolarHBondContact OE2-NH2 3.38Å
339	G	98.5	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.			trans	-61.3	158	166.1	0	0	0	0	0	112.8	S304 E333 H346	S304-G339 WeakPolarHBondContact CB-O 3.32Å; S304-G339 PolarHBondContact OG-O 3.35Å; E333-G339 PolarHBondContact O-N 2.81Å; G339-H346 CarbonylContact C-O 3.48Å; G339-H346 VanDerWaalsContact CA-O 3.31Å; G339-H346 WeakPolarHBondContact CA-O 3.09Å
340	V	98.3	Very high	98.1	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.03	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-100.7	174	179.2	-60.3	0	0	0	0	111.9	K344 D345 H346 F348	V340-K344 WeakPolarHBondContact O-CA 3.44Å; V340-K344 PolarHBondContact O-N 3.15Å; V340-D345 PolarHBondContact O-N 3.47Å; V340-H346 WeakPolarHBondContact CG2-CD2 3.21Å; V340-H346 WeakPolarHBondContact CG2-O 3.37Å; V340-H346 PolarHBondContact N-O 2.84Å; V340-H346 PolarHBondContact O-CE1 2.99Å; V340-F348 HydrophobicContact CB-CD2 3.92Å; V340-F348 HydrophobicContact CB-CE2 3.71Å; V340-F348 HydrophobicContact CB-CG 4.48Å; V340-F348 HydrophobicContact CB-CZ 4.13Å; V340-F348 HydrophobicContact CG1-CD2 3.57Å; V340-F348 HydrophobicContact CG1-CE2 3.79Å; V340-F348 HydrophobicContact CG1-CG 4.26Å; V340-F348 HydrophobicContact CG2-CD1 4.1Å; V340-F348 HydrophobicContact CG2-CD2 3.93Å; V340-F348 HydrophobicContact CG2-CE1 4.1Å; V340-F348 HydrophobicContact CG2-CE2 3.94Å; V340-F348 HydrophobicContact CG2-CG 3.99Å; V340-F348 HydrophobicContact CG2-CZ 4.02Å
341	G	96.8	Very high	98.1	Very high	37 Å²	37	49.9 Å²	49.9	38%	0.381	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	176.3	-178.8	0	0	0	0	0	113.9	R343 K344	G341-R343 PolarHBondContact O-N 3.25Å; G341-K344 PolarHBondContact O-N 3.11Å; G341-K344 VanDerWaalsContact O-N 3.16Å
342	P	96.6	Very high	98.1	Very high	137 Å²	137	50.7 Å²	50.7	89%	0.89	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.8	-171.8	25	-34.2	0	0	0	113.5
343	R	96.7	Very high	98.1	Very high	189 Å²	189	52.6 Å²	52.6	71%	0.713	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-3.2	-179.8	-64.2	-179.3	74.2	-164.8	5.9	113.8	G341 D345	G341-R343 PolarHBondContact O-N 3.25Å; R343-D345 HydrophobicContact CB-CB 4.19Å; R343-D345 VanDerWaalsContact CB-CG 3.49Å; R343-D345 VanDerWaalsContact CB-OD2 3.3Å; R343-D345 WeakPolarHBondContact CB-OD2 3.33Å; R343-D345 WeakPolarHBondContact CD-OD2 3.29Å; R343-D345 IonicContact CZ-OD2 3.68Å; R343-D345 IonicContact NE-OD2 2.72Å; R343-D345 IonicContact NH1-OD2 2.77Å; R343-D345 PolarHBondContact NH1-OD2 3.17Å; R343-D345 PolarHBondContact O-N 3.34Å
344	K	97.8	Very high	98.1	Very high	110 Å²	110	53.5 Å²	53.5	48%	0.478	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	39.5	-174.5	-61.9	-168.5	165.3	-163.8	0	113.7	G337 V340 G341	G337-K344 PolarHBondContact O-NZ 2.93Å; G337-K344 VanDerWaalsContact O-NZ 3.17Å; V340-K344 WeakPolarHBondContact O-CA 3.44Å; V340-K344 PolarHBondContact O-N 3.15Å; G341-K344 PolarHBondContact O-N 3.11Å; G341-K344 VanDerWaalsContact O-N 3.16Å
345	D	97.6	Very high	98.1	Very high	35 Å²	35	55.7 Å²	55.7	19%	0.187	29%	0.287	C	S	.	.			trans	-117.2	10	-168.1	61.2	-4.2	0	0	0	114.6	Y284 V340 R343	Y284-D345 VanDerWaalsContact CE2-OD1 3.3Å; Y284-D345 WeakPolarHBondContact CE2-OD1 3.45Å; Y284-D345 PolarHBondContact OH-OD1 2.88Å; Y284-D345 PolarHBondContact OH-OD2 2.93Å; V340-D345 PolarHBondContact O-N 3.47Å; R343-D345 HydrophobicContact CB-CB 4.19Å; R343-D345 VanDerWaalsContact CB-CG 3.49Å; R343-D345 VanDerWaalsContact CB-OD2 3.3Å; R343-D345 WeakPolarHBondContact CB-OD2 3.33Å; R343-D345 WeakPolarHBondContact CD-OD2 3.29Å; R343-D345 IonicContact CZ-OD2 3.68Å; R343-D345 IonicContact NE-OD2 2.72Å; R343-D345 IonicContact NH1-OD2 2.77Å; R343-D345 PolarHBondContact NH1-OD2 3.17Å; R343-D345 PolarHBondContact O-N 3.34Å
346	H	98.5	Very high	98.1	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.046	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-148	177.5	175.5	56.4	-79.1	0	0	0	111.4	Y284 G339 V340 P384 V385 L386	Y284-H346 AromaticContact CD1-CE1 3.93Å; Y284-H346 AromaticContact CD1-ND1 3.88Å; Y284-H346 HydrophobicContact CD2-CB 3.65Å; Y284-H346 AromaticContact CD2-CG 3.76Å; Y284-H346 AromaticContact CD2-ND1 3.66Å; Y284-H346 AromaticContact CE1-CE1 3.9Å; Y284-H346 AromaticContact CE1-ND1 3.87Å; Y284-H346 HydrophobicContact CE2-CB 4.29Å; Y284-H346 AromaticContact CE2-ND1 3.66Å; Y284-H346 HydrophobicContact CG-CB 4.02Å; Y284-H346 AromaticContact CG-CG 3.79Å; Y284-H346 AromaticContact CG-ND1 3.78Å; Y284-H346 AromaticContact CZ-ND1 3.78Å; G339-H346 CarbonylContact C-O 3.48Å; G339-H346 VanDerWaalsContact CA-O 3.31Å; G339-H346 WeakPolarHBondContact CA-O 3.09Å; V340-H346 WeakPolarHBondContact CG2-CD2 3.21Å; V340-H346 WeakPolarHBondContact CG2-O 3.37Å; V340-H346 PolarHBondContact N-O 2.84Å; V340-H346 PolarHBondContact O-CE1 2.99Å; H346-P384 WeakPolarHBondContact CD2-CB 3.49Å; H346-V385 WeakPolarHBondContact CB-O 3.31Å; H346-L386 HydrophobicContact CB-CB 4.44Å
347	I	98.7	Very high	98.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	160.6	178.6	-69.9	-56.5	0	0	0	108.7	L301 I302 N303 F309 M330 E333 I334 V385	L301-I347 HydrophobicContact CB-CG2 4.14Å; L301-I347 HydrophobicContact CD2-CG2 4.16Å; I302-I347 WeakPolarHBondContact O-CG2 3.16Å; N303-I347 HydrophobicContact CB-CD1 4.19Å; F309-I347 HydrophobicContact CE1-CD1 4.28Å; F309-I347 HydrophobicContact CE1-CG1 4.47Å; F309-I347 HydrophobicContact CE1-CG2 3.64Å; F309-I347 HydrophobicContact CZ-CG1 4.44Å; F309-I347 HydrophobicContact CZ-CG2 3.82Å; M330-I347 HydrophobicContact CB-CG1 4.31Å; M330-I347 HydrophobicContact CE-CB 3.78Å; M330-I347 HydrophobicContact CE-CG1 4.27Å; M330-I347 HydrophobicContact CE-CG2 4.03Å; M330-I347 HydrophobicContact CG-CG1 4.43Å; E333-I347 HydrophobicContact CB-CD1 4.03Å; I334-I347 HydrophobicContact CD1-CG1 4.19Å; I334-I347 HydrophobicContact CG1-CD1 4.19Å; I334-I347 HydrophobicContact CG1-CG1 4.07Å; I347-V385 PolarHBondContact N-O 2.97Å; I347-V385 WeakPolarHBondContact O-CG2 3.39Å; I347-V385 PolarHBondContact O-N 3.44Å; I347-V385 VanDerWaalsContact O-O 3.12Å
348	F	98.8	Very high	98.1	Very high	57 Å²	57	52.8 Å²	52.8	25%	0.25	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138	173	-81.1	-41.3	0	0	0	111.7	L301 I302 V340 P382 I383 P384	L301-F348 CarbonylContact C-O 3.59Å; L301-F348 VanDerWaalsContact CA-O 3.31Å; L301-F348 WeakPolarHBondContact CA-O 3.35Å; I302-F348 HydrophobicContact CD1-CB 4.11Å; I302-F348 HydrophobicContact CG1-CB 3.51Å; I302-F348 PolarHBondContact N-O 2.96Å; I302-F348 PolarHBondContact O-N 3.24Å; I302-F348 VanDerWaalsContact O-N 3.1Å; V340-F348 HydrophobicContact CB-CD2 3.92Å; V340-F348 HydrophobicContact CB-CE2 3.71Å; V340-F348 HydrophobicContact CB-CG 4.48Å; V340-F348 HydrophobicContact CB-CZ 4.13Å; V340-F348 HydrophobicContact CG1-CD2 3.57Å; V340-F348 HydrophobicContact CG1-CE2 3.79Å; V340-F348 HydrophobicContact CG1-CG 4.26Å; V340-F348 HydrophobicContact CG2-CD1 4.1Å; V340-F348 HydrophobicContact CG2-CD2 3.93Å; V340-F348 HydrophobicContact CG2-CE1 4.1Å; V340-F348 HydrophobicContact CG2-CE2 3.94Å; V340-F348 HydrophobicContact CG2-CG 3.99Å; V340-F348 HydrophobicContact CG2-CZ 4.02Å; F348-P382 HydrophobicContact CB-CB 3.77Å; F348-P382 HydrophobicContact CB-CG 4.07Å; F348-P382 HydrophobicContact CD1-CB 3.88Å; F348-P382 HydrophobicContact CD1-CG 3.66Å; F348-P382 HydrophobicContact CD2-CG 3.92Å; F348-P382 HydrophobicContact CE1-CG 4.04Å; F348-P382 HydrophobicContact CE2-CG 4.29Å; F348-P382 HydrophobicContact CG-CB 3.83Å; F348-P382 HydrophobicContact CG-CG 3.61Å; F348-P382 HydrophobicContact CZ-CG 4.35Å; F348-I383 WeakPolarHBondContact CA-O 3.15Å; F348-P384 HydrophobicContact CD1-CB 4.45Å; F348-P384 HydrophobicContact CE1-CB 4.26Å
349	L	98.9	Very high	98	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.9	164.4	171.3	64.5	0	0	0	108.6	T281 I290 C294 R295 L301 L351 P382 I383 V385	T281-L349 HydrophobicContact CG2-CD2 4.22Å; I290-L349 HydrophobicContact CG2-CD2 3.62Å; C294-L349 HydrophobicContact CB-CD2 3.88Å; R295-L349 HydrophobicContact CG-CD1 4.06Å; L301-L349 HydrophobicContact CD2-CB 4.17Å; L301-L349 HydrophobicContact CD2-CD1 4.19Å; L349-L351 HydrophobicContact CD1-CD2 4.31Å; L349-L351 HydrophobicContact CG-CD2 4.27Å; L349-L351 HydrophobicContact CG-CG 4.39Å; L349-P382 CarbonylContact O-C 3.36Å; L349-P382 WeakPolarHBondContact O-CA 3.48Å; L349-P382 WeakPolarHBondContact O-CB 3.35Å; L349-I383 HydrophobicContact CB-CB 4.4Å; L349-I383 HydrophobicContact CD2-CD1 4.34Å; L349-I383 PolarHBondContact N-O 2.57Å; L349-I383 PolarHBondContact O-N 3.11Å; L349-V385 HydrophobicContact CB-CG1 4.11Å; L349-V385 HydrophobicContact CB-CG2 3.88Å
350	Q	98.8	Very high	97.9	Very high	44 Å²	44	56.8 Å²	56.8	21%	0.206	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.3	-177.9	-178.7	134	-30.3	0	0	111.6	G299 Y300 I302 H353	G299-Q350 WeakPolarHBondContact CA-O 3.37Å; Y300-Q350 HydrophobicContact CD2-CB 4.37Å; Y300-Q350 HydrophobicContact CE2-CB 4.04Å; Y300-Q350 HydrophobicContact CE2-CG 4.29Å; Y300-Q350 PolarHBondContact N-O 3.46Å; Y300-Q350 PolarHBondContact O-N 2.86Å; Y300-Q350 PolarHBondContact OH-NE2 3.1Å; I302-Q350 HydrophobicContact CD1-CB 4.35Å; I302-Q350 VanDerWaalsContact CD1-OE1 3.26Å; Q350-H353 PolarHBondContact O-CE1 3.4Å
351	L	98.6	Very high	97.9	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.321	C	S	.	.			trans	-131.2	-14.1	178.6	-55.7	178.4	0	0	0	114	C294 L349 H353 L354 L359 I366 V378 I383	C294-L351 HydrophobicContact CB-CD1 4.32Å; C294-L351 HydrophobicContact CB-CD2 3.79Å; L349-L351 HydrophobicContact CD1-CD2 4.31Å; L349-L351 HydrophobicContact CG-CD2 4.27Å; L349-L351 HydrophobicContact CG-CG 4.39Å; L351-H353 PolarHBondContact O-N 2.89Å; L351-H353 VanDerWaalsContact O-N 3.1Å; L351-L354 HydrophobicContact CD2-CD1 4.45Å; L351-L354 VanDerWaalsContact O-CB 3.32Å; L351-L354 WeakPolarHBondContact O-CB 3.38Å; L351-L354 PolarHBondContact O-N 3.06Å; L351-L359 HydrophobicContact CB-CD2 4.09Å; L351-I366 HydrophobicContact CD1-CD1 3.83Å; L351-V378 HydrophobicContact CD1-CB 4.33Å; L351-V378 HydrophobicContact CD1-CG1 4.4Å; L351-I383 HydrophobicContact CD1-CD1 3.82Å
352	S	97.7	Very high	97.9	Very high	38 Å²	38	60.7 Å²	60.7	27%	0.266	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.7	-170.5	51.8	0	0	0	0	115	L354 V378 T379 R380	S352-L354 VanDerWaalsContact C-N 3.32Å; S352-V378 PolarHBondContact N-O 3.15Å; S352-T379 VanDerWaalsContact CB-O 3.31Å; S352-T379 WeakPolarHBondContact CB-O 3.37Å; S352-R380 PolarHBondContact OG-O 3.11Å
353	H	98.4	Very high	98	Very high	84 Å²	84	54.2 Å²	54.2	39%	0.389	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.9	170.5	62.4	-73.5	0	0	0	113.2	G298 Y300 Q350 L351	G298-H353 PolarHBondContact O-NE2 3.46Å; Y300-H353 AromaticContact CD1-CE1 3.58Å; Y300-H353 AromaticContact CD1-NE2 3.76Å; Y300-H353 AromaticContact CE1-CE1 3.24Å; Y300-H353 WeakPolarHBondContact CE1-CE1 3.21Å; Y300-H353 AromaticContact CE1-ND1 3.61Å; Y300-H353 AromaticContact CE1-NE2 3.5Å; Y300-H353 WeakPolarHBondContact CE1-NE2 3.46Å; Q350-H353 PolarHBondContact O-CE1 3.4Å; L351-H353 PolarHBondContact O-N 2.89Å; L351-H353 VanDerWaalsContact O-N 3.1Å
354	L	98.4	Very high	98.1	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.099	25%	0.247	C	C	.	.	S	Bend	trans	-78.1	144	174.9	-58.5	179.2	0	0	0	110	E297 L351 S352 A356 L359	E297-L354 HydrophobicContact CB-CD1 4.44Å; E297-L354 WeakPolarHBondContact O-CD2 3.02Å; L351-L354 HydrophobicContact CD2-CD1 4.45Å; L351-L354 VanDerWaalsContact O-CB 3.32Å; L351-L354 WeakPolarHBondContact O-CB 3.38Å; L351-L354 PolarHBondContact O-N 3.06Å; S352-L354 VanDerWaalsContact C-N 3.32Å; L354-A356 PolarHBondContact O-N 3.3Å; L354-L359 HydrophobicContact CB-CD2 4.01Å; L354-L359 HydrophobicContact CB-CG 4.22Å; L354-L359 HydrophobicContact CD1-CD2 3.94Å
355	P	98.3	Very high	98.1	Very high	84 Å²	84	42 Å²	42	55%	0.545	23%	0.229	S	C	.	.			trans	-55.6	137	174.8	-24.5	33.9	0	0	0	111.8	D357 Q358 L359	P355-D357 PolarHBondContact O-N 2.8Å; P355-Q358 HydrophobicContact CB-CB 4.38Å; P355-Q358 WeakPolarHBondContact O-CA 3.45Å; P355-Q358 WeakPolarHBondContact O-CB 3.28Å; P355-Q358 PolarHBondContact O-N 3.49Å; P355-L359 PolarHBondContact O-N 3.28Å; P355-L359 VanDerWaalsContact O-N 3.12Å
356	A	97.6	Very high	98.1	Very high	44 Å²	44	40.3 Å²	40.3	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-55.5	-37.5	-179.6	0	0	0	0	0	112.5	L354 Q358 L359 H360 T379	L354-A356 PolarHBondContact O-N 3.3Å; A356-Q358 VanDerWaalsContact C-N 3.31Å; A356-Q358 PolarHBondContact O-N 2.85Å; A356-L359 WeakPolarHBondContact O-CB 3.44Å; A356-L359 PolarHBondContact O-N 3.39Å; A356-L359 VanDerWaalsContact O-N 3.17Å; A356-H360 VanDerWaalsContact O-CG 3.26Å; A356-H360 PolarHBondContact O-N 3.45Å; A356-H360 PolarHBondContact O-ND1 2.9Å; A356-T379 HydrophobicContact CB-CG2 4.31Å
357	D	97.7	Very high	98.1	Very high	129 Å²	129	40.9 Å²	40.9	69%	0.69	23%	0.225	S	C	*	.	H	α-helix	trans	-64.9	-32.9	176.2	-68.6	-19.3	0	0	0	112.9	P355 S361	P355-D357 PolarHBondContact O-N 2.8Å; D357-S361 VanDerWaalsContact O-CB 3.26Å; D357-S361 WeakPolarHBondContact O-CB 3.37Å; D357-S361 PolarHBondContact O-N 2.78Å; D357-S361 PolarHBondContact O-OG 3.48Å
358	Q	97.8	Very high	98.1	Very high	53 Å²	53	45.5 Å²	45.5	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-67.9	-43.4	172.5	-170.7	-174.8	-6.6	0	0	110.3	E297 P355 A356 S361 R362	E297-Q358 PolarHBondContact O-NE2 3.44Å; E297-Q358 VanDerWaalsContact O-NE2 3.1Å; E297-Q358 PolarHBondContact OE2-NE2 2.75Å; P355-Q358 HydrophobicContact CB-CB 4.38Å; P355-Q358 WeakPolarHBondContact O-CA 3.45Å; P355-Q358 WeakPolarHBondContact O-CB 3.28Å; P355-Q358 PolarHBondContact O-N 3.49Å; A356-Q358 VanDerWaalsContact C-N 3.31Å; A356-Q358 PolarHBondContact O-N 2.85Å; Q358-S361 PolarHBondContact O-N 3.02Å; Q358-S361 PolarHBondContact O-OG 3.4Å; Q358-R362 HydrophobicContact CG-CG 3.91Å; Q358-R362 VanDerWaalsContact O-CB 3.26Å; Q358-R362 WeakPolarHBondContact O-CB 3.41Å; Q358-R362 WeakPolarHBondContact O-CG 3.47Å; Q358-R362 PolarHBondContact O-N 3.05Å
359	L	98.3	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-46.7	176.4	-62.1	176.5	0	0	0	111.3	L351 L354 P355 A356 S361 L363 V378 T379	L351-L359 HydrophobicContact CB-CD2 4.09Å; L354-L359 HydrophobicContact CB-CD2 4.01Å; L354-L359 HydrophobicContact CB-CG 4.22Å; L354-L359 HydrophobicContact CD1-CD2 3.94Å; P355-L359 PolarHBondContact O-N 3.28Å; P355-L359 VanDerWaalsContact O-N 3.12Å; A356-L359 WeakPolarHBondContact O-CB 3.44Å; A356-L359 PolarHBondContact O-N 3.39Å; A356-L359 VanDerWaalsContact O-N 3.17Å; L359-S361 PolarHBondContact O-N 3.18Å; L359-L363 HydrophobicContact CD2-CD1 3.97Å; L359-L363 CarbonylContact O-C 3.52Å; L359-L363 VanDerWaalsContact O-CA 3.29Å; L359-L363 WeakPolarHBondContact O-CA 3.24Å; L359-L363 PolarHBondContact O-N 2.57Å; L359-V378 HydrophobicContact CD1-CG2 4.22Å; L359-T379 HydrophobicContact CD1-CG2 4.07Å
360	H	96.7	Very high	98	Very high	116 Å²	116	44.1 Å²	44.1	54%	0.537	24%	0.243	S	C	.	.	H	α-helix	trans	-65	-35.9	178.6	-66	152.3	0	0	0	113.5	A356 P364	A356-H360 VanDerWaalsContact O-CG 3.26Å; A356-H360 PolarHBondContact O-N 3.45Å; A356-H360 PolarHBondContact O-ND1 2.9Å; H360-P364 WeakPolarHBondContact O-CB 3.46Å
361	S	96.8	Very high	98	Very high	62 Å²	62	48.4 Å²	48.4	43%	0.434	26%	0.261	S	S	.	.	H	α-helix	trans	-85.5	-40.6	-178.1	60.5	0	0	0	0	113.4	D357 Q358 L359	D357-S361 VanDerWaalsContact O-CB 3.26Å; D357-S361 WeakPolarHBondContact O-CB 3.37Å; D357-S361 PolarHBondContact O-N 2.78Å; D357-S361 PolarHBondContact O-OG 3.48Å; Q358-S361 PolarHBondContact O-N 3.02Å; Q358-S361 PolarHBondContact O-OG 3.4Å; L359-S361 PolarHBondContact O-N 3.18Å
362	R	97.6	Very high	98	Very high	62 Å²	62	53.2 Å²	53.2	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-97.3	-29.3	-172.4	-55.1	-58.6	-178	-170.9	-1.6	113.9	R154 A176 D177 E297 Q358 P364	R154-R362 PolarHBondContact NH2-O 2.88Å; R154-R362 VanDerWaalsContact NH2-O 3.09Å; A176-R362 CarbonylContact C-O 3.6Å; D177-R362 PolarHBondContact N-O 3.06Å; E297-R362 HydrophobicContact CG-CB 4.19Å; Q358-R362 HydrophobicContact CG-CG 3.91Å; Q358-R362 VanDerWaalsContact O-CB 3.26Å; Q358-R362 WeakPolarHBondContact O-CB 3.41Å; Q358-R362 WeakPolarHBondContact O-CG 3.47Å; Q358-R362 PolarHBondContact O-N 3.05Å; R362-P364 VanDerWaalsContact C-CD 3.41Å
363	L	98.5	Very high	98	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.295	C	S	.	.			trans	-131.5	41.1	-171.8	-58.5	175.5	0	0	0	114.3	D177 T291 C294 E297 L359 I366 S367	D177-L363 HydrophobicContact CB-CD2 4.35Å; D177-L363 VanDerWaalsContact OD2-CA 3.29Å; D177-L363 WeakPolarHBondContact OD2-CA 3.37Å; T291-L363 HydrophobicContact CG2-CD2 3.79Å; C294-L363 HydrophobicContact CB-CD1 4.4Å; E297-L363 HydrophobicContact CB-CD1 4.26Å; E297-L363 HydrophobicContact CG-CD1 4.37Å; E297-L363 HydrophobicContact CG-CD2 4.3Å; E297-L363 HydrophobicContact CG-CG 4.35Å; L359-L363 HydrophobicContact CD2-CD1 3.97Å; L359-L363 CarbonylContact O-C 3.52Å; L359-L363 VanDerWaalsContact O-CA 3.29Å; L359-L363 WeakPolarHBondContact O-CA 3.24Å; L359-L363 PolarHBondContact O-N 2.57Å; L363-I366 HydrophobicContact CB-CD1 3.94Å; L363-I366 HydrophobicContact CB-CG1 3.76Å; L363-I366 HydrophobicContact CD2-CG1 4.38Å; L363-I366 WeakPolarHBondContact O-CG1 3.38Å; L363-S367 WeakPolarHBondContact O-CB 3.39Å; L363-S367 PolarHBondContact O-N 3.37Å; L363-S367 PolarHBondContact O-OG 3.22Å
364	P	98.5	Very high	97.9	Very high	31 Å²	31	54.1 Å²	54.1	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-35	-177	27.2	-34.9	0	0	0	113.9	A176 D177 H360 R362 S367 E368	A176-P364 HydrophobicContact CB-CG 3.97Å; D177-P364 VanDerWaalsContact OD1-CD 3.24Å; D177-P364 WeakPolarHBondContact OD1-CD 3.21Å; D177-P364 WeakPolarHBondContact OD1-CG 3.41Å; H360-P364 WeakPolarHBondContact O-CB 3.46Å; R362-P364 VanDerWaalsContact C-CD 3.41Å; P364-S367 PolarHBondContact O-N 2.77Å; P364-E368 PolarHBondContact O-N 3.42Å
365	G	97.9	Very high	97.9	Very high	10 Å²	10	56.2 Å²	56.2	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-66.8	-45.4	-178.5	0	0	0	0	0	112.8	D177 S367 E368 T369	D177-G365 VanDerWaalsContact CG-N 3.25Å; D177-G365 WeakPolarHBondContact OD1-CA 3.44Å; D177-G365 PolarHBondContact OD1-N 2.92Å; D177-G365 WeakPolarHBondContact OD2-CA 3.38Å; D177-G365 PolarHBondContact OD2-N 2.78Å; G365-S367 VanDerWaalsContact C-N 3.33Å; G365-E368 PolarHBondContact O-N 2.73Å; G365-T369 WeakPolarHBondContact O-CB 3.45Å; G365-T369 PolarHBondContact O-N 2.75Å; G365-T369 PolarHBondContact O-OG1 3.23Å
366	I	97.8	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-72.2	-29.3	177	64.6	89.1	0	0	0	112.1	Q87 D177 I290 T291 L351 L363 E368 T369 A370 V378 I383	Q87-I366 VanDerWaalsContact OE1-CG2 3.24Å; D177-I366 WeakPolarHBondContact OD2-CG1 3.21Å; D177-I366 PolarHBondContact OD2-N 3.5Å; I290-I366 HydrophobicContact CD1-CB 4.05Å; I290-I366 HydrophobicContact CD1-CG2 4.26Å; I290-I366 HydrophobicContact CG2-CB 4.28Å; I290-I366 HydrophobicContact CG2-CG2 4.25Å; T291-I366 HydrophobicContact CG2-CG2 3.9Å; L351-I366 HydrophobicContact CD1-CD1 3.83Å; L363-I366 HydrophobicContact CB-CD1 3.94Å; L363-I366 HydrophobicContact CB-CG1 3.76Å; L363-I366 HydrophobicContact CD2-CG1 4.38Å; L363-I366 WeakPolarHBondContact O-CG1 3.38Å; I366-E368 VanDerWaalsContact C-N 3.32Å; I366-E368 PolarHBondContact O-N 3.4Å; I366-T369 PolarHBondContact O-N 2.75Å; I366-A370 VanDerWaalsContact O-CB 3.27Å; I366-A370 WeakPolarHBondContact O-CB 3.31Å; I366-A370 PolarHBondContact O-N 2.79Å; I366-V378 HydrophobicContact CD1-CG1 4.41Å; I366-I383 HydrophobicContact CD1-CD1 4.32Å
367	S	98.2	Very high	97.9	Very high	22 Å²	22	53.9 Å²	53.9	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-45.3	176.1	-60.6	0	0	0	0	110.2	L363 P364 G365 K371 V378	L363-S367 WeakPolarHBondContact O-CB 3.39Å; L363-S367 PolarHBondContact O-N 3.37Å; L363-S367 PolarHBondContact O-OG 3.22Å; P364-S367 PolarHBondContact O-N 2.77Å; G365-S367 VanDerWaalsContact C-N 3.33Å; S367-K371 PolarHBondContact O-N 2.96Å; S367-V378 WeakPolarHBondContact OG-CG2 3.49Å
368	E	98.3	Very high	98	Very high	98 Å²	98	47.9 Å²	47.9	46%	0.458	26%	0.262	S	S	.	.	H	α-helix	trans	-66.5	-43.7	173.7	-174	63	-168.6	0	0	112	P364 G365 I366 A370 K371 I372	P364-E368 PolarHBondContact O-N 3.42Å; G365-E368 PolarHBondContact O-N 2.73Å; I366-E368 VanDerWaalsContact C-N 3.32Å; I366-E368 PolarHBondContact O-N 3.4Å; E368-A370 PolarHBondContact O-N 2.73Å; E368-K371 PolarHBondContact O-N 2.79Å; E368-I372 HydrophobicContact CG-CD1 3.82Å; E368-I372 HydrophobicContact CG-CG1 4.45Å; E368-I372 WeakPolarHBondContact O-CG1 3.28Å; E368-I372 PolarHBondContact O-N 2.96Å; E368-I372 WeakPolarHBondContact OE1-CD1 3.43Å
369	T	98.2	Very high	98	Very high	28 Å²	28	48 Å²	48	17%	0.172	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-44.2	-179.5	-57.6	0	0	0	0	111.8	C288 I290 G365 I366 K371 I372 F373	C288-T369 HydrophobicContact CB-CG2 3.98Å; I290-T369 HydrophobicContact CD1-CG2 4.19Å; G365-T369 WeakPolarHBondContact O-CB 3.45Å; G365-T369 PolarHBondContact O-N 2.75Å; G365-T369 PolarHBondContact O-OG1 3.23Å; I366-T369 PolarHBondContact O-N 2.75Å; T369-K371 VanDerWaalsContact C-N 3.32Å; T369-K371 PolarHBondContact O-N 2.85Å; T369-I372 PolarHBondContact O-N 2.72Å; T369-F373 HydrophobicContact CG2-CD2 3.83Å; T369-F373 HydrophobicContact CG2-CE2 4.38Å; T369-F373 WeakPolarHBondContact O-CB 3.09Å; T369-F373 WeakPolarHBondContact O-CD2 3.47Å; T369-F373 PolarHBondContact O-N 3.03Å
370	A	98.2	Very high	98	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-40.5	177.9	0	0	0	0	0	111.5	I366 E368 A374 G375 V376 V378 I383	I366-A370 VanDerWaalsContact O-CB 3.27Å; I366-A370 WeakPolarHBondContact O-CB 3.31Å; I366-A370 PolarHBondContact O-N 2.79Å; E368-A370 PolarHBondContact O-N 2.73Å; A370-A374 CarbonylContact O-C 3.53Å; A370-A374 WeakPolarHBondContact O-CA 3.09Å; A370-A374 WeakPolarHBondContact O-CB 3.44Å; A370-A374 PolarHBondContact O-N 3.43Å; A370-G375 PolarHBondContact O-N 3.46Å; A370-V376 CarbonylContact C-O 3.59Å; A370-V376 HydrophobicContact CB-CB 4.34Å; A370-V376 PolarHBondContact O-N 2.83Å; A370-V378 HydrophobicContact CB-CG1 3.75Å; A370-I383 HydrophobicContact CB-CD1 3.98Å; A370-I383 HydrophobicContact CB-CG1 4.03Å; A370-I383 HydrophobicContact CB-CG2 4.39Å
371	K	98	Very high	98	Very high	134 Å²	134	52.6 Å²	52.6	58%	0.583	28%	0.284	S	S	*	.	H	α-helix	trans	-63.9	-48.2	176.3	-174.5	177.7	179.4	179.7	0	112.1	S367 E368 T369 G375 V376	S367-K371 PolarHBondContact O-N 2.96Å; E368-K371 PolarHBondContact O-N 2.79Å; T369-K371 VanDerWaalsContact C-N 3.32Å; T369-K371 PolarHBondContact O-N 2.85Å; K371-G375 VanDerWaalsContact O-CA 3.23Å; K371-G375 WeakPolarHBondContact O-CA 3.42Å; K371-G375 PolarHBondContact O-N 3.43Å; K371-G375 VanDerWaalsContact O-N 3.1Å; K371-V376 VanDerWaalsContact CA-O 3.29Å; K371-V376 WeakPolarHBondContact CA-O 3.46Å; K371-V376 PolarHBondContact N-O 3.36Å
372	I	98.5	Very high	98.1	Very high	102 Å²	102	50.9 Å²	50.9	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-66.9	-49.4	-178.2	-67.4	171.8	0	0	0	111.5	E368 T369	E368-I372 HydrophobicContact CG-CD1 3.82Å; E368-I372 HydrophobicContact CG-CG1 4.45Å; E368-I372 WeakPolarHBondContact O-CG1 3.28Å; E368-I372 PolarHBondContact O-N 2.96Å; E368-I372 WeakPolarHBondContact OE1-CD1 3.43Å; T369-I372 PolarHBondContact O-N 2.72Å
373	F	97.8	Very high	98.2	Very high	106 Å²	106	48 Å²	48	47%	0.465	26%	0.26	S	S	.	.	H	α-helix	trans	-97.7	-15.6	-165.9	-67.9	-76.6	0	0	0	114.5	I283 A286 T369	I283-F373 HydrophobicContact CD1-CB 3.99Å; I283-F373 HydrophobicContact CG2-CB 4.48Å; A286-F373 HydrophobicContact CB-CB 4.13Å; A286-F373 HydrophobicContact CB-CD1 3.97Å; A286-F373 HydrophobicContact CB-CG 4.32Å; T369-F373 HydrophobicContact CG2-CD2 3.83Å; T369-F373 HydrophobicContact CG2-CE2 4.38Å; T369-F373 WeakPolarHBondContact O-CB 3.09Å; T369-F373 WeakPolarHBondContact O-CD2 3.47Å; T369-F373 PolarHBondContact O-N 3.03Å
374	A	97.6	Very high	98.2	Very high	35 Å²	35	48.7 Å²	48.7	29%	0.289	27%	0.265	S	S	.	.	H	α-helix	trans	-128.5	-1.4	176.1	0	0	0	0	0	113.9	I283 A370 V376 P384	I283-A374 HydrophobicContact CD1-CB 3.58Å; I283-A374 HydrophobicContact CG1-CB 4.08Å; A370-A374 CarbonylContact O-C 3.53Å; A370-A374 WeakPolarHBondContact O-CA 3.09Å; A370-A374 WeakPolarHBondContact O-CB 3.44Å; A370-A374 PolarHBondContact O-N 3.43Å; A374-V376 HydrophobicContact CB-CB 4.43Å; A374-V376 HydrophobicContact CB-CG2 3.94Å; A374-V376 PolarHBondContact O-N 3.12Å; A374-P384 HydrophobicContact CB-CG 3.98Å
375	G	97.8	Very high	98.2	Very high	63 Å²	63	47.2 Å²	47.2	65%	0.649	26%	0.256	S	S	*	.			trans	65.3	21.3	-176.2	0	0	0	0	0	113.5	A370 K371	A370-G375 PolarHBondContact O-N 3.46Å; K371-G375 VanDerWaalsContact O-CA 3.23Å; K371-G375 WeakPolarHBondContact O-CA 3.42Å; K371-G375 PolarHBondContact O-N 3.43Å; K371-G375 VanDerWaalsContact O-N 3.1Å
376	V	98.2	Very high	98.2	Very high	15 Å²	15	48.7 Å²	48.7	9%	0.091	26%	0.261	C	S	.	.			trans	-98.6	130	-172.8	168.6	0	0	0	0	111.1	A370 K371 A374 V378 D381 I383	A370-V376 CarbonylContact C-O 3.59Å; A370-V376 HydrophobicContact CB-CB 4.34Å; A370-V376 PolarHBondContact O-N 2.83Å; K371-V376 VanDerWaalsContact CA-O 3.29Å; K371-V376 WeakPolarHBondContact CA-O 3.46Å; K371-V376 PolarHBondContact N-O 3.36Å; A374-V376 HydrophobicContact CB-CB 4.43Å; A374-V376 HydrophobicContact CB-CG2 3.94Å; A374-V376 PolarHBondContact O-N 3.12Å; V376-V378 HydrophobicContact CG1-CG1 4.44Å; V376-D381 HydrophobicContact CG1-CB 4.22Å; V376-D381 WeakPolarHBondContact CG1-O 3.2Å; V376-I383 HydrophobicContact CG1-CG1 4.14Å
377	D	98.3	Very high	98.3	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.342	27%	0.266	S	S	.	.			trans	-93	109.5	163.9	-176.6	-17.3	0	0	0	109.2	T379 R380 D381	D377-T379 PolarHBondContact O-N 3.33Å; D377-T379 VanDerWaalsContact O-N 3.11Å; D377-T379 WeakPolarHBondContact OD1-CB 3.32Å; D377-T379 PolarHBondContact OD1-N 2.87Å; D377-T379 PolarHBondContact OD1-OG1 2.84Å; D377-T379 PolarHBondContact OD2-OG1 3.27Å; D377-R380 PolarHBondContact O-N 2.93Å; D377-R380 IonicContact OD2-NH1 3.6Å; D377-D381 PolarHBondContact O-N 2.92Å
378	V	98.4	Very high	98.3	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.1	-173.9	-59.8	0	0	0	0	114.1	L351 S352 L359 I366 S367 A370 V376 R380 I383	L351-V378 HydrophobicContact CD1-CB 4.33Å; L351-V378 HydrophobicContact CD1-CG1 4.4Å; S352-V378 PolarHBondContact N-O 3.15Å; L359-V378 HydrophobicContact CD1-CG2 4.22Å; I366-V378 HydrophobicContact CD1-CG1 4.41Å; S367-V378 WeakPolarHBondContact OG-CG2 3.49Å; A370-V378 HydrophobicContact CB-CG1 3.75Å; V376-V378 HydrophobicContact CG1-CG1 4.44Å; V378-R380 VanDerWaalsContact C-N 3.26Å; V378-I383 HydrophobicContact CG1-CD1 3.72Å; V378-I383 HydrophobicContact CG1-CG1 3.86Å
379	T	98.2	Very high	98.3	Very high	54 Å²	54	43.8 Å²	43.8	33%	0.331	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.7	174.8	68.4	0	0	0	0	112.6	S352 A356 L359 D377	S352-T379 VanDerWaalsContact CB-O 3.31Å; S352-T379 WeakPolarHBondContact CB-O 3.37Å; A356-T379 HydrophobicContact CB-CG2 4.31Å; L359-T379 HydrophobicContact CD1-CG2 4.07Å; D377-T379 PolarHBondContact O-N 3.33Å; D377-T379 VanDerWaalsContact O-N 3.11Å; D377-T379 WeakPolarHBondContact OD1-CB 3.32Å; D377-T379 PolarHBondContact OD1-N 2.87Å; D377-T379 PolarHBondContact OD1-OG1 2.84Å; D377-T379 PolarHBondContact OD2-OG1 3.27Å
380	R	97.9	Very high	98.3	Very high	154 Å²	154	43.5 Å²	43.5	58%	0.581	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-52.7	-176.6	-174	-178.1	62.6	-119.4	-5.8	112.4	S352 D377 V378	S352-R380 PolarHBondContact OG-O 3.11Å; D377-R380 PolarHBondContact O-N 2.93Å; D377-R380 IonicContact OD2-NH1 3.6Å; V378-R380 VanDerWaalsContact C-N 3.26Å
381	D	98	Very high	98.4	Very high	59 Å²	59	43.6 Å²	43.6	32%	0.316	23%	0.234	S	C	.	.	S	Bend	trans	-111.1	145.9	-167.6	-55.9	-49.8	0	0	0	111.3	V376 D377	V376-D381 HydrophobicContact CG1-CB 4.22Å; V376-D381 WeakPolarHBondContact CG1-O 3.2Å; D377-D381 PolarHBondContact O-N 2.92Å
382	P	98.5	Very high	98.4	Very high	26 Å²	26	37.2 Å²	37.2	17%	0.169	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-73.9	152	176.3	30.9	-35.1	0	0	0	112.3	F348 L349	F348-P382 HydrophobicContact CB-CB 3.77Å; F348-P382 HydrophobicContact CB-CG 4.07Å; F348-P382 HydrophobicContact CD1-CB 3.88Å; F348-P382 HydrophobicContact CD1-CG 3.66Å; F348-P382 HydrophobicContact CD2-CG 3.92Å; F348-P382 HydrophobicContact CE1-CG 4.04Å; F348-P382 HydrophobicContact CE2-CG 4.29Å; F348-P382 HydrophobicContact CG-CB 3.83Å; F348-P382 HydrophobicContact CG-CG 3.61Å; F348-P382 HydrophobicContact CZ-CG 4.35Å; L349-P382 CarbonylContact O-C 3.36Å; L349-P382 WeakPolarHBondContact O-CA 3.48Å; L349-P382 WeakPolarHBondContact O-CB 3.35Å
383	I	98.8	Very high	98.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	178.3	-50.5	171.6	0	0	0	109.5	I283 I290 F348 L349 L351 I366 A370 V376 V378 V385	I283-I383 HydrophobicContact CD1-CG2 4.29Å; I283-I383 HydrophobicContact CG1-CG2 4.02Å; I290-I383 HydrophobicContact CD1-CD1 4.42Å; I290-I383 HydrophobicContact CG1-CG2 4.23Å; I290-I383 HydrophobicContact CG2-CD1 3.98Å; F348-I383 WeakPolarHBondContact CA-O 3.15Å; L349-I383 HydrophobicContact CB-CB 4.4Å; L349-I383 HydrophobicContact CD2-CD1 4.34Å; L349-I383 PolarHBondContact N-O 2.57Å; L349-I383 PolarHBondContact O-N 3.11Å; L351-I383 HydrophobicContact CD1-CD1 3.82Å; I366-I383 HydrophobicContact CD1-CD1 4.32Å; A370-I383 HydrophobicContact CB-CD1 3.98Å; A370-I383 HydrophobicContact CB-CG1 4.03Å; A370-I383 HydrophobicContact CB-CG2 4.39Å; V376-I383 HydrophobicContact CG1-CG1 4.14Å; V378-I383 HydrophobicContact CG1-CD1 3.72Å; V378-I383 HydrophobicContact CG1-CG1 3.86Å; I383-V385 HydrophobicContact CB-CG1 4.35Å; I383-V385 HydrophobicContact CG2-CG1 3.98Å; I383-V385 PolarHBondContact O-N 2.72Å
384	P	98.7	Very high	98.5	Very high	17 Å²	17	27.3 Å²	27.3	11%	0.11	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.1	173	31.9	-35.4	0	0	0	110.1	Y284 H346 F348 A374	Y284-P384 PolarHBondContact N-O 3.27Å; H346-P384 WeakPolarHBondContact CD2-CB 3.49Å; F348-P384 HydrophobicContact CD1-CB 4.45Å; F348-P384 HydrophobicContact CE1-CB 4.26Å; A374-P384 HydrophobicContact CB-CG 3.98Å
385	V	98.8	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.5	-171.8	-67.9	0	0	0	0	112.8	T281 G282 L301 M330 H346 I347 L349 I383	T281-V385 HydrophobicContact CG2-CB 4.25Å; T281-V385 HydrophobicContact CG2-CG1 4.33Å; T281-V385 HydrophobicContact CG2-CG2 4.08Å; G282-V385 CarbonylContact O-C 3.49Å; G282-V385 VanDerWaalsContact O-CA 3.25Å; G282-V385 WeakPolarHBondContact O-CA 3.28Å; L301-V385 HydrophobicContact CD2-CG2 4.05Å; M330-V385 HydrophobicContact CE-CG2 3.92Å; H346-V385 WeakPolarHBondContact CB-O 3.31Å; I347-V385 PolarHBondContact N-O 2.97Å; I347-V385 WeakPolarHBondContact O-CG2 3.39Å; I347-V385 PolarHBondContact O-N 3.44Å; I347-V385 VanDerWaalsContact O-O 3.12Å; L349-V385 HydrophobicContact CB-CG1 4.11Å; L349-V385 HydrophobicContact CB-CG2 3.88Å; I383-V385 HydrophobicContact CB-CG1 4.35Å; I383-V385 HydrophobicContact CG2-CG1 3.98Å; I383-V385 PolarHBondContact O-N 2.72Å
386	L	98.3	Very high	98.6	Very high	41 Å²	41	22.7 Å²	22.7	22%	0.215	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.5	170.1	78.3	165.1	0	0	0	112.5	P280 G282 Y284 H346 T388	P280-L386 CarbonylContact O-C 3.57Å; P280-L386 VanDerWaalsContact O-O 3.13Å; G282-L386 PolarHBondContact N-O 3.11Å; G282-L386 VanDerWaalsContact N-O 3.11Å; G282-L386 PolarHBondContact O-N 3.32Å; Y284-L386 HydrophobicContact CD2-CD2 4.18Å; H346-L386 HydrophobicContact CB-CB 4.44Å; L386-T388 PolarHBondContact O-N 3.38Å; L386-T388 VanDerWaalsContact O-N 3.16Å; L386-T388 PolarHBondContact O-OG1 3.08Å
387	P	98.7	Very high	98.6	Very high	16 Å²	16	22 Å²	22	10%	0.104	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	119.8	170.9	-27.8	37.4	0	0	0	111.9	F278 H279 S327 M330 V510	F278-P387 HydrophobicContact CB-CB 4.18Å; H279-P387 VanDerWaalsContact O-CA 3.31Å; H279-P387 WeakPolarHBondContact O-CA 3.33Å; S327-P387 WeakPolarHBondContact O-CG 3.11Å; M330-P387 HydrophobicContact CB-CG 3.84Å; M330-P387 HydrophobicContact CE-CG 4.49Å; M330-P387 HydrophobicContact SD-CG 4.14Å; P387-V510 HydrophobicContact CB-CG2 4.13Å
388	T	98.8	Very high	98.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.2	-173	-58.7	0	0	0	0	110.1	T250 F278 H279 G282 L386 H390	T250-T388 HydrophobicContact CG2-CG2 3.88Å; F278-T388 CarbonylContact C-O 3.49Å; F278-T388 VanDerWaalsContact CA-O 3.28Å; F278-T388 WeakPolarHBondContact CA-O 3.48Å; H279-T388 PolarHBondContact N-O 2.75Å; H279-T388 PolarHBondContact O-N 3.42Å; G282-T388 WeakPolarHBondContact CA-OG1 3.13Å; L386-T388 PolarHBondContact O-N 3.38Å; L386-T388 VanDerWaalsContact O-N 3.16Å; L386-T388 PolarHBondContact O-OG1 3.08Å; T388-H390 PolarHBondContact O-N 2.72Å
389	V	98.8	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	132	178.2	171	0	0	0	0	110.1	Y246 C249 T250 V276 F278	Y246-V389 HydrophobicContact CD1-CG2 3.6Å; Y246-V389 HydrophobicContact CD2-CB 4.4Å; Y246-V389 HydrophobicContact CD2-CG1 3.94Å; Y246-V389 HydrophobicContact CD2-CG2 3.89Å; Y246-V389 HydrophobicContact CE1-CG2 3.98Å; Y246-V389 HydrophobicContact CE2-CG1 4.5Å; Y246-V389 HydrophobicContact CE2-CG2 4.26Å; Y246-V389 HydrophobicContact CG-CB 4.21Å; Y246-V389 HydrophobicContact CG-CG1 4.24Å; Y246-V389 HydrophobicContact CG-CG2 3.55Å; C249-V389 CarbonylContact C-O 3.46Å; C249-V389 WeakPolarHBondContact CA-O 3.33Å; C249-V389 HydrophobicContact CB-CB 3.98Å; C249-V389 HydrophobicContact CB-CG1 4.14Å; C249-V389 WeakPolarHBondContact CB-O 3.35Å; T250-V389 PolarHBondContact N-O 3.16Å; V276-V389 HydrophobicContact CG1-CG1 3.74Å; V276-V389 HydrophobicContact CG1-CG2 4.16Å; F278-V389 HydrophobicContact CD1-CG2 3.7Å; F278-V389 HydrophobicContact CE1-CG2 3.26Å; F278-V389 HydrophobicContact CG-CG2 4.49Å; F278-V389 HydrophobicContact CZ-CG2 3.72Å
390	H	98.8	Very high	98.7	Very high	21 Å²	21	20.8 Å²	20.8	10%	0.097	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	-43.8	-165.7	176.2	62.9	0	0	0	114.5	T250 Q277 H279 R323 T388 R436	T250-H390 HydrophobicContact CG2-CB 4.38Å; T250-H390 PolarHBondContact OG1-ND1 3.39Å; Q277-H390 PolarHBondContact O-N 3.27Å; H279-H390 HydrophobicContact CB-CB 3.53Å; H279-H390 AromaticContact CD2-CD2 3.86Å; H279-H390 AromaticContact CD2-NE2 3.89Å; R323-H390 PolarHBondContact NH1-CD2 3.37Å; R323-H390 PolarHBondContact NH1-NE2 2.95Å; T388-H390 PolarHBondContact O-N 2.72Å; H390-R436 PolarHBondContact CD2-NH2 3.48Å; H390-R436 PolarHBondContact NE2-NH2 2.95Å
391	Y	98.9	Very high	98.7	Very high	3 Å²	3	17 Å²	17	1%	0.012	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146.2	-172	-179.1	-91.2	0	0	0	111.7	Q277 M393 E425 H432 R436 S441	Q277-Y391 WeakPolarHBondContact CB-O 3.36Å; Q277-Y391 PolarHBondContact N-O 2.84Å; Q277-Y391 PolarHBondContact O-N 3.29Å; Y391-M393 HydrophobicContact CD1-CG 4.34Å; Y391-M393 HydrophobicContact CD1-SD 3.8Å; Y391-M393 HydrophobicContact CE1-CG 4.3Å; Y391-M393 HydrophobicContact CE1-SD 4.34Å; Y391-E425 VanDerWaalsContact CA-OE1 3.29Å; Y391-E425 WeakPolarHBondContact CA-OE1 3.45Å; Y391-E425 HydrophobicContact CD2-CB 4.41Å; Y391-E425 HydrophobicContact CD2-CG 3.75Å; Y391-E425 VanDerWaalsContact CD2-OE1 3.23Å; Y391-E425 WeakPolarHBondContact CD2-OE1 3.35Å; Y391-E425 HydrophobicContact CE2-CB 3.68Å; Y391-E425 VanDerWaalsContact CE2-CD 3.46Å; Y391-E425 HydrophobicContact CE2-CG 3.39Å; Y391-E425 HydrophobicContact CG-CG 4.5Å; Y391-H432 PolarHBondContact OH-CD2 3.46Å; Y391-H432 PolarHBondContact OH-NE2 3.42Å; Y391-H432 VanDerWaalsContact OH-NE2 3.09Å; Y391-R436 HydrophobicContact CD1-CB 4.2Å; Y391-R436 VanDerWaalsContact CD2-NE 3.31Å; Y391-R436 VanDerWaalsContact CD2-NH2 3.3Å; Y391-R436 HydrophobicContact CE1-CB 4.17Å; Y391-R436 VanDerWaalsContact CE1-CD 3.44Å; Y391-R436 HydrophobicContact CE1-CG 4.4Å; Y391-S441 WeakPolarHBondContact CE2-OG 3.33Å
392	N	98.9	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.8	176.7	-60.3	104.9	0	0	0	110.3	Y242 G243 E425	Y242-N392 HydrophobicContact CD1-CB 3.93Å; Y242-N392 VanDerWaalsContact CD1-CG 3.49Å; Y242-N392 WeakPolarHBondContact CD2-ND2 3.25Å; Y242-N392 HydrophobicContact CE1-CB 3.49Å; Y242-N392 VanDerWaalsContact CE1-CB 3.49Å; Y242-N392 VanDerWaalsContact CE1-ND2 3.35Å; Y242-N392 WeakPolarHBondContact CE1-ND2 3.48Å; Y242-N392 WeakPolarHBondContact CE2-ND2 3.49Å; Y242-N392 PolarHBondContact N-OD1 3.08Å; G243-N392 PolarHBondContact N-OD1 3.41Å; N392-E425 HydrophobicContact CB-CG 4.44Å; N392-E425 PolarHBondContact N-OE1 3.44Å
393	M	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-77.6	-32.1	173.6	-75.5	73.8	75.6	0	0	111.8	F275 Q277 Y391 S428 H432 G433 A434 R436 A577	F275-M393 VanDerWaalsContact C-CE 3.46Å; F275-M393 HydrophobicContact CB-CB 4.05Å; F275-M393 HydrophobicContact CB-CE 3.88Å; F275-M393 VanDerWaalsContact O-CE 3.23Å; F275-M393 WeakPolarHBondContact O-CE 3.46Å; F275-M393 PolarHBondContact O-N 3.41Å; F275-M393 VanDerWaalsContact O-N 3.15Å; Q277-M393 HydrophobicContact CB-CE 3.79Å; Q277-M393 HydrophobicContact CB-SD 3.49Å; Q277-M393 WeakPolarHBondContact CB-SD 3.48Å; Y391-M393 HydrophobicContact CD1-CG 4.34Å; Y391-M393 HydrophobicContact CD1-SD 3.8Å; Y391-M393 HydrophobicContact CE1-CG 4.3Å; Y391-M393 HydrophobicContact CE1-SD 4.34Å; M393-S428 PolarHBondContact O-OG 2.8Å; M393-H432 HydrophobicContact CB-CB 4.42Å; M393-H432 HydrophobicContact CG-CB 3.86Å; M393-G433 VanDerWaalsContact CB-O 3.22Å; M393-G433 WeakPolarHBondContact CB-O 3.28Å; M393-G433 WeakPolarHBondContact CG-O 3.44Å; M393-A434 WeakPolarHBondContact CE-O 3.5Å; M393-R436 HydrophobicContact CG-CB 4.23Å; M393-R436 HydrophobicContact SD-CB 4.26Å; M393-A577 HydrophobicContact CE-CB 3.7Å
394	G	98.9	Very high	98.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.			trans	-72.5	160.4	170	0	0	0	0	0	112.7	Q271 D272	Q271-G394 CarbonylContact O-C 3.54Å; Q271-G394 WeakPolarHBondContact O-CA 3.4Å; D272-G394 VanDerWaalsContact O-CA 3.23Å; D272-G394 WeakPolarHBondContact O-CA 3.37Å; D272-G394 PolarHBondContact O-N 2.83Å
395	G	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	166.9	-160.1	-177.2	0	0	0	0	0	111.3	Q271 P397	Q271-G395 PolarHBondContact N-O 3.31Å; Q271-G395 PolarHBondContact O-N 3.43Å; G395-P397 WeakPolarHBondContact O-CD 3.48Å
396	I	99	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118	-178.8	-56.4	161.4	0	0	0	108.8	L237 T260 V263 T398 V404 A422 A426 A427 S428	L237-I396 HydrophobicContact CB-CD1 4.07Å; L237-I396 HydrophobicContact CD1-CD1 3.63Å; T260-I396 HydrophobicContact CG2-CG1 4.06Å; V263-I396 HydrophobicContact CB-CD1 4.44Å; V263-I396 HydrophobicContact CB-CG1 4.13Å; V263-I396 HydrophobicContact CG1-CG1 4.31Å; V263-I396 HydrophobicContact CG1-CG2 4.23Å; V263-I396 HydrophobicContact CG2-CD1 3.58Å; V263-I396 HydrophobicContact CG2-CG1 3.71Å; V263-I396 HydrophobicContact CG2-CG2 4.04Å; I396-T398 PolarHBondContact O-N 3.29Å; I396-V404 HydrophobicContact CG2-CB 4.2Å; I396-V404 HydrophobicContact CG2-CG1 3.6Å; I396-V404 HydrophobicContact CG2-CG2 3.54Å; I396-A422 HydrophobicContact CB-CB 4.03Å; I396-A422 HydrophobicContact CD1-CB 4.07Å; I396-A422 HydrophobicContact CG2-CB 4.09Å; I396-A426 WeakPolarHBondContact CB-O 3.42Å; I396-A426 WeakPolarHBondContact CG1-O 3.41Å; I396-A426 PolarHBondContact N-O 3.29Å; I396-A427 CarbonylContact O-C 3.44Å; I396-A427 WeakPolarHBondContact O-CA 3.49Å; I396-S428 PolarHBondContact O-N 3.04Å
397	P	98.9	Very high	98.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.013	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	129.6	-178.7	23.4	-31.1	0	0	0	110.9	P269 Q271 G395 V404 L405 S428 L613	P269-P397 HydrophobicContact CG-CG 4.11Å; P269-P397 WeakPolarHBondContact O-CD 3.22Å; Q271-P397 HydrophobicContact CB-CB 3.89Å; Q271-P397 HydrophobicContact CB-CG 4.23Å; G395-P397 WeakPolarHBondContact O-CD 3.48Å; P397-V404 WeakPolarHBondContact O-CA 3.36Å; P397-L405 HydrophobicContact CB-CB 4.49Å; P397-L405 WeakPolarHBondContact CG-O 3.25Å; P397-L405 PolarHBondContact O-N 2.98Å; P397-S428 WeakPolarHBondContact CA-O 3.46Å; P397-L613 HydrophobicContact CG-CD2 4.46Å
398	T	98.9	Very high	98	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.012	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-127.6	163.2	173.5	62.7	0	0	0	0	111.5	I396 Q403 V404 A422 A427 S428 A429	I396-T398 PolarHBondContact O-N 3.29Å; T398-Q403 CarbonylContact C-O 3.6Å; T398-Q403 WeakPolarHBondContact CA-O 3.46Å; T398-Q403 WeakPolarHBondContact CB-O 3.43Å; T398-V404 HydrophobicContact CG2-CG2 4.13Å; T398-A422 HydrophobicContact CG2-CB 3.78Å; T398-A427 HydrophobicContact CG2-CB 4.23Å; T398-S428 PolarHBondContact N-O 3.1Å; T398-S428 VanDerWaalsContact N-O 3.12Å; T398-A429 VanDerWaalsContact OG1-CA 3.29Å; T398-A429 WeakPolarHBondContact OG1-CA 3.34Å
399	N	98.6	Very high	97.3	Very high	31 Å²	31	19.9 Å²	19.9	17%	0.166	10%	0.103	C	C	.	.			trans	-81.2	174.6	160	65.2	16.3	0	0	0	110.4	K401 G402 Q403 L405	N399-K401 PolarHBondContact O-N 3.12Å; N399-K401 WeakPolarHBondContact OD1-CA 3.43Å; N399-K401 WeakPolarHBondContact OD1-CB 3.23Å; N399-K401 PolarHBondContact OD1-N 3.27Å; N399-G402 PolarHBondContact O-N 2.94Å; N399-G402 PolarHBondContact OD1-N 3.06Å; N399-Q403 PolarHBondContact N-O 3.37Å; N399-Q403 PolarHBondContact ND2-OE1 3.41Å; N399-Q403 WeakPolarHBondContact OD1-CB 3.43Å; N399-Q403 PolarHBondContact OD1-N 2.84Å; N399-L405 HydrophobicContact CB-CD1 4.28Å; N399-L405 HydrophobicContact CB-CD2 4.39Å
400	Y	98.6	Very high	96.7	Very high	63 Å²	63	26.3 Å²	26.3	25%	0.247	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.9	178.8	81.1	-88.5	0	0	0	115	Y124 F448 L635	Y124-Y400 HydrophobicContact CD2-CD2 4.16Å; Y124-Y400 HydrophobicContact CD2-CE2 4.38Å; Y124-Y400 HydrophobicContact CG-CD2 4.17Å; Y400-F448 WeakPolarHBondContact O-CE1 3.33Å; Y400-L635 HydrophobicContact CD1-CD2 4.13Å; Y400-L635 HydrophobicContact CD2-CD1 4.33Å; Y400-L635 HydrophobicContact CD2-CD2 4.14Å; Y400-L635 HydrophobicContact CE1-CD2 3.86Å; Y400-L635 HydrophobicContact CE2-CD1 4.16Å; Y400-L635 HydrophobicContact CE2-CD2 3.85Å; Y400-L635 HydrophobicContact CG-CD2 4.27Å
401	K	98.7	Very high	96.2	Very high	73 Å²	73	27.4 Å²	27.4	32%	0.317	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.8	176	-54.7	-172.9	-179.3	-175.8	0	113.3	N399 Q403 D455	N399-K401 PolarHBondContact O-N 3.12Å; N399-K401 WeakPolarHBondContact OD1-CA 3.43Å; N399-K401 WeakPolarHBondContact OD1-CB 3.23Å; N399-K401 PolarHBondContact OD1-N 3.27Å; K401-Q403 HydrophobicContact CB-CG 4.43Å; K401-D455 HydrophobicContact CB-CB 4.23Å; K401-D455 VanDerWaalsContact CD-OD1 3.28Å; K401-D455 WeakPolarHBondContact CD-OD1 3.48Å
402	G	98.8	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.			trans	85.3	7.5	-179.8	0	0	0	0	0	114.9	N399 Y421 A422	N399-G402 PolarHBondContact O-N 2.94Å; N399-G402 PolarHBondContact OD1-N 3.06Å; G402-Y421 CarbonylContact O-C 3.59Å; G402-Y421 WeakPolarHBondContact O-CA 3.45Å; G402-Y421 VanDerWaalsContact O-CB 3.31Å; G402-Y421 WeakPolarHBondContact O-CB 3.23Å; G402-Y421 WeakPolarHBondContact O-CD1 3.29Å; G402-A422 PolarHBondContact O-N 2.91Å
403	Q	98.9	Very high	95.2	Very high	18 Å²	18	39.4 Å²	39.4	8%	0.084	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130	178.7	-54.2	-175.9	-67.6	0	0	110.2	T398 N399 K401 V416 Y421 D455 K459	T398-Q403 CarbonylContact C-O 3.6Å; T398-Q403 WeakPolarHBondContact CA-O 3.46Å; T398-Q403 WeakPolarHBondContact CB-O 3.43Å; N399-Q403 PolarHBondContact N-O 3.37Å; N399-Q403 PolarHBondContact ND2-OE1 3.41Å; N399-Q403 WeakPolarHBondContact OD1-CB 3.43Å; N399-Q403 PolarHBondContact OD1-N 2.84Å; K401-Q403 HydrophobicContact CB-CG 4.43Å; Q403-V416 HydrophobicContact CB-CG1 4.08Å; Q403-V416 HydrophobicContact CB-CG2 4.22Å; Q403-Y421 HydrophobicContact CB-CE1 4.42Å; Q403-Y421 HydrophobicContact CG-CD1 3.98Å; Q403-Y421 HydrophobicContact CG-CE1 3.46Å; Q403-Y421 VanDerWaalsContact CG-CE1 3.46Å; Q403-Y421 PolarHBondContact NE2-OH 3.1Å; Q403-D455 PolarHBondContact NE2-OD2 3.15Å; Q403-K459 VanDerWaalsContact CD-NZ 3.32Å
404	V	98.9	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.8	179.2	174.6	0	0	0	0	110.7	I396 P397 T398 V416 V417 L420 A422	I396-V404 HydrophobicContact CG2-CB 4.2Å; I396-V404 HydrophobicContact CG2-CG1 3.6Å; I396-V404 HydrophobicContact CG2-CG2 3.54Å; P397-V404 WeakPolarHBondContact O-CA 3.36Å; T398-V404 HydrophobicContact CG2-CG2 4.13Å; V404-V416 WeakPolarHBondContact O-CA 3.11Å; V404-V417 HydrophobicContact CB-CB 4.43Å; V404-V417 HydrophobicContact CG1-CB 4.42Å; V404-V417 HydrophobicContact CG1-CG2 4.09Å; V404-V417 PolarHBondContact O-N 2.83Å; V404-L420 HydrophobicContact CB-CB 4.2Å; V404-L420 HydrophobicContact CB-CD2 3.97Å; V404-L420 HydrophobicContact CB-CG 3.93Å; V404-L420 HydrophobicContact CG1-CD2 3.91Å; V404-L420 HydrophobicContact CG1-CG 4.43Å; V404-L420 HydrophobicContact CG2-CB 4.36Å; V404-L420 HydrophobicContact CG2-CD2 4.02Å; V404-L420 HydrophobicContact CG2-CG 3.7Å; V404-L420 PolarHBondContact N-O 3.31Å; V404-A422 HydrophobicContact CG2-CB 3.89Å
405	L	98.5	Very high	94.7	Very high	18 Å²	18	47.5 Å²	47.5	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.9	-179.3	-58.4	177.8	0	0	0	110.7	P397 N399 K415 V416	P397-L405 HydrophobicContact CB-CB 4.49Å; P397-L405 WeakPolarHBondContact CG-O 3.25Å; P397-L405 PolarHBondContact O-N 2.98Å; N399-L405 HydrophobicContact CB-CD1 4.28Å; N399-L405 HydrophobicContact CB-CD2 4.39Å; L405-K415 CarbonylContact C-O 3.49Å; L405-K415 WeakPolarHBondContact CA-O 3.35Å; L405-V416 HydrophobicContact CD2-CG2 3.93Å
406	A	96.4	Very high	94.7	Very high	26 Å²	26	50.1 Å²	50.1	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	169.8	151.3	0	0	0	0	0	109	L268 G414 K415 V417	L268-A406 HydrophobicContact CD2-CB 4.18Å; A406-G414 CarbonylContact O-C 3.54Å; A406-G414 WeakPolarHBondContact O-CA 3.49Å; A406-K415 PolarHBondContact N-O 2.72Å; A406-K415 PolarHBondContact O-N 3.38Å; A406-V417 HydrophobicContact CB-CG2 4.01Å
407	Y	93.4	Very high	94.6	Very high	29 Å²	29	50.3 Å²	50.3	11%	0.114	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	174.5	-172.4	-118.5	0	0	0	110.9	P409 K412 L613 Y627 R628	Y407-P409 HydrophobicContact CD1-CB 4.37Å; Y407-P409 HydrophobicContact CE1-CB 4.22Å; Y407-P409 WeakPolarHBondContact O-CD 3.36Å; Y407-K412 WeakPolarHBondContact OH-CA 3.49Å; Y407-L613 VanDerWaalsContact CB-CD1 3.46Å; Y407-L613 HydrophobicContact CD1-CD1 3.88Å; Y407-L613 HydrophobicContact CD2-CD1 4Å; Y407-L613 HydrophobicContact CG-CD1 3.52Å; Y407-Y627 PolarHBondContact OH-O 3.34Å; Y407-R628 HydrophobicContact CD2-CB 3.93Å; Y407-R628 HydrophobicContact CE2-CB 3.57Å
408	D	90.3	Very high	94.6	Very high	54 Å²	54	53.1 Å²	53.1	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.1	168.8	-176.7	-23.8	0	0	0	108.2	V410 A411 K412 K413	D408-V410 PolarHBondContact O-N 3.05Å; D408-V410 WeakPolarHBondContact OD1-CA 3.42Å; D408-V410 WeakPolarHBondContact OD1-CB 3.16Å; D408-V410 PolarHBondContact OD1-N 3.07Å; D408-A411 HydrophobicContact CB-CB 4.05Å; D408-A411 PolarHBondContact O-N 3.24Å; D408-A411 PolarHBondContact OD1-N 3.45Å; D408-A411 WeakPolarHBondContact OD2-CB 3.4Å; D408-K412 WeakPolarHBondContact O-CA 3.23Å; D408-K412 PolarHBondContact O-N 3.04Å; D408-K413 PolarHBondContact N-O 2.76Å; D408-K413 PolarHBondContact O-N 2.6Å
409	P	83.1	Confident	94.6	Very high	77 Å²	77	53.7 Å²	53.7	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.8	-177.1	28.6	-35.1	0	0	0	112.7	Y407	Y407-P409 HydrophobicContact CD1-CB 4.37Å; Y407-P409 HydrophobicContact CE1-CB 4.22Å; Y407-P409 WeakPolarHBondContact O-CD 3.36Å
410	V	86.2	Confident	94.6	Very high	135 Å²	135	52.2 Å²	52.2	82%	0.818	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-48.1	177.6	-178.6	0	0	0	0	109.6	D408 K412	D408-V410 PolarHBondContact O-N 3.05Å; D408-V410 WeakPolarHBondContact OD1-CA 3.42Å; D408-V410 WeakPolarHBondContact OD1-CB 3.16Å; D408-V410 PolarHBondContact OD1-N 3.07Å; V410-K412 VanDerWaalsContact C-N 3.28Å; V410-K412 PolarHBondContact O-N 2.95Å
411	A	88.6	Confident	94.6	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.8	179	0	0	0	0	0	113.7	D408 K413	D408-A411 HydrophobicContact CB-CB 4.05Å; D408-A411 PolarHBondContact O-N 3.24Å; D408-A411 PolarHBondContact OD1-N 3.45Å; D408-A411 WeakPolarHBondContact OD2-CB 3.4Å; A411-K413 HydrophobicContact CB-CD 4.11Å; A411-K413 HydrophobicContact CB-CG 3.81Å; A411-K413 PolarHBondContact O-N 2.93Å
412	K	86.5	Confident	94.6	Very high	121 Å²	121	46.1 Å²	46.1	53%	0.526	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.2	-176.5	-60.6	-172.6	177.2	-169.9	0	113.2	Y407 D408 V410	Y407-K412 WeakPolarHBondContact OH-CA 3.49Å; D408-K412 WeakPolarHBondContact O-CA 3.23Å; D408-K412 PolarHBondContact O-N 3.04Å; V410-K412 VanDerWaalsContact C-N 3.28Å; V410-K412 PolarHBondContact O-N 2.95Å
413	K	89.7	Confident	94.6	Very high	134 Å²	134	46.2 Å²	46.2	58%	0.583	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.8	156.7	-177.4	70.1	-176.4	-177.7	-178.5	0	112.1	D408 A411	D408-K413 PolarHBondContact N-O 2.76Å; D408-K413 PolarHBondContact O-N 2.6Å; A411-K413 HydrophobicContact CB-CD 4.11Å; A411-K413 HydrophobicContact CB-CG 3.81Å; A411-K413 PolarHBondContact O-N 2.93Å
414	G	92.6	Very high	94.6	Very high	33 Å²	33	45.4 Å²	45.4	34%	0.34	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.5	169.7	0	0	0	0	0	111.3	A406	A406-G414 CarbonylContact O-C 3.54Å; A406-G414 WeakPolarHBondContact O-CA 3.49Å
415	K	95.6	Very high	94.6	Very high	136 Å²	136	46.7 Å²	46.7	59%	0.591	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	121.4	171.2	-178.5	-178.8	177.3	-176.9	0	108.2	L405 A406 V417	L405-K415 CarbonylContact C-O 3.49Å; L405-K415 WeakPolarHBondContact CA-O 3.35Å; A406-K415 PolarHBondContact N-O 2.72Å; A406-K415 PolarHBondContact O-N 3.38Å; K415-V417 PolarHBondContact O-N 3.15Å
416	V	97.9	Very high	94.6	Very high	55 Å²	55	45.9 Å²	45.9	33%	0.333	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	132	177	171.5	0	0	0	0	110	Q403 V404 L405 P418	Q403-V416 HydrophobicContact CB-CG1 4.08Å; Q403-V416 HydrophobicContact CB-CG2 4.22Å; V404-V416 WeakPolarHBondContact O-CA 3.11Å; L405-V416 HydrophobicContact CD2-CG2 3.93Å; V416-P418 WeakPolarHBondContact O-CD 3.3Å
417	V	98.4	Very high	94.7	Very high	5 Å²	5	45 Å²	45	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.4	168.9	-179	0	0	0	0	107.6	M209 L268 V404 A406 K415 G419 L420	M209-V417 HydrophobicContact CE-CG1 4.12Å; L268-V417 HydrophobicContact CD1-CG1 4.22Å; L268-V417 HydrophobicContact CD1-CG2 4.19Å; L268-V417 HydrophobicContact CD2-CG2 3.85Å; V404-V417 HydrophobicContact CB-CB 4.43Å; V404-V417 HydrophobicContact CG1-CB 4.42Å; V404-V417 HydrophobicContact CG1-CG2 4.09Å; V404-V417 PolarHBondContact O-N 2.83Å; A406-V417 HydrophobicContact CB-CG2 4.01Å; K415-V417 PolarHBondContact O-N 3.15Å; V417-G419 PolarHBondContact O-N 3.21Å; V417-L420 HydrophobicContact CB-CB 4.22Å; V417-L420 HydrophobicContact CG1-CB 3.91Å; V417-L420 HydrophobicContact CG1-CD2 4.14Å; V417-L420 PolarHBondContact O-N 3.46Å
418	P	98	Very high	95	Very high	60 Å²	60	43.6 Å²	43.6	39%	0.39	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	136.6	-176.8	-23.4	34.9	0	0	0	111.6	E213 C214 V416 L420	E213-P418 HydrophobicContact CB-CB 4.29Å; E213-P418 HydrophobicContact CG-CB 3.97Å; E213-P418 HydrophobicContact CG-CG 4.14Å; C214-P418 PolarHBondContact N-O 2.71Å; V416-P418 WeakPolarHBondContact O-CD 3.3Å; P418-L420 VanDerWaalsContact C-N 3.27Å; P418-L420 PolarHBondContact O-N 2.82Å
419	G	98.1	Very high	95.4	Very high	14 Å²	14	41.5 Å²	41.5	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.6	3.5	178.4	0	0	0	0	0	115.5	K233 N234 T235 V417	K233-G419 WeakPolarHBondContact O-CA 3.35Å; N234-G419 CarbonylContact C-O 3.29Å; N234-G419 WeakPolarHBondContact CA-O 3.31Å; T235-G419 PolarHBondContact N-O 3.44Å; V417-G419 PolarHBondContact O-N 3.21Å
420	L	98.9	Very high	96.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.3	-178.2	-167.3	62.6	0	0	0	113	L207 C214 T235 L237 L268 V404 V417 P418	L207-L420 HydrophobicContact CD1-CD1 4.11Å; L207-L420 HydrophobicContact CD1-CD2 3.82Å; L207-L420 HydrophobicContact CD2-CD1 3.98Å; C214-L420 HydrophobicContact CB-CB 3.77Å; C214-L420 HydrophobicContact CB-CD1 4.1Å; C214-L420 HydrophobicContact CB-CG 4.36Å; T235-L420 HydrophobicContact CG2-CD1 4.24Å; L237-L420 HydrophobicContact CD1-CD1 4.16Å; L237-L420 HydrophobicContact CG-CD1 4.17Å; L268-L420 HydrophobicContact CD1-CD2 3.84Å; V404-L420 HydrophobicContact CB-CB 4.2Å; V404-L420 HydrophobicContact CB-CD2 3.97Å; V404-L420 HydrophobicContact CB-CG 3.93Å; V404-L420 HydrophobicContact CG1-CD2 3.91Å; V404-L420 HydrophobicContact CG1-CG 4.43Å; V404-L420 HydrophobicContact CG2-CB 4.36Å; V404-L420 HydrophobicContact CG2-CD2 4.02Å; V404-L420 HydrophobicContact CG2-CG 3.7Å; V404-L420 PolarHBondContact N-O 3.31Å; V417-L420 HydrophobicContact CB-CB 4.22Å; V417-L420 HydrophobicContact CG1-CB 3.91Å; V417-L420 HydrophobicContact CG1-CD2 4.14Å; V417-L420 PolarHBondContact O-N 3.46Å; P418-L420 VanDerWaalsContact C-N 3.27Å; P418-L420 PolarHBondContact O-N 2.82Å
421	Y	99	Very high	96.8	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.5	177.2	-66.9	-106.2	0	0	0	110.1	N234 T235 V236 L237 G402 Q403 C452 D455 I456	N234-Y421 HydrophobicContact CB-CE2 4.34Å; T235-Y421 PolarHBondContact O-N 3.22Å; V236-Y421 WeakPolarHBondContact CA-O 3.41Å; L237-Y421 PolarHBondContact N-O 3.26Å; G402-Y421 CarbonylContact O-C 3.59Å; G402-Y421 WeakPolarHBondContact O-CA 3.45Å; G402-Y421 VanDerWaalsContact O-CB 3.31Å; G402-Y421 WeakPolarHBondContact O-CB 3.23Å; G402-Y421 WeakPolarHBondContact O-CD1 3.29Å; Q403-Y421 HydrophobicContact CB-CE1 4.42Å; Q403-Y421 HydrophobicContact CG-CD1 3.98Å; Q403-Y421 HydrophobicContact CG-CE1 3.46Å; Q403-Y421 VanDerWaalsContact CG-CE1 3.46Å; Q403-Y421 PolarHBondContact NE2-OH 3.1Å; Y421-C452 HydrophobicContact CD1-CB 4.15Å; Y421-D455 HydrophobicContact CE1-CB 4.16Å; Y421-D455 WeakPolarHBondContact CE1-OD2 3.35Å; Y421-D455 PolarHBondContact OH-OD2 3.01Å; Y421-I456 HydrophobicContact CD2-CD1 3.98Å; Y421-I456 HydrophobicContact CD2-CG1 4.13Å; Y421-I456 HydrophobicContact CE1-CG1 3.98Å; Y421-I456 HydrophobicContact CE2-CD1 3.95Å; Y421-I456 HydrophobicContact CE2-CG1 3.59Å; Y421-I456 HydrophobicContact CG-CD1 4.32Å
422	A	99	Very high	97.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.5	169.8	0	0	0	0	0	111.4	L237 I396 T398 G402 V404 A427	L237-A422 HydrophobicContact CB-CB 4.25Å; L237-A422 CarbonylContact O-C 3.41Å; L237-A422 WeakPolarHBondContact O-CA 3.5Å; I396-A422 HydrophobicContact CB-CB 4.03Å; I396-A422 HydrophobicContact CD1-CB 4.07Å; I396-A422 HydrophobicContact CG2-CB 4.09Å; T398-A422 HydrophobicContact CG2-CB 3.78Å; G402-A422 PolarHBondContact O-N 2.91Å; V404-A422 HydrophobicContact CG2-CB 3.89Å; A422-A427 HydrophobicContact CB-CB 3.87Å
423	A	98.9	Very high	97.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.133	C	C	.	.			trans	-149.8	160.2	179	0	0	0	0	0	113	A55 L237 F448	A55-A423 HydrophobicContact CB-CB 4.24Å; L237-A423 PolarHBondContact O-N 3.19Å; A423-F448 HydrophobicContact CB-CB 4.15Å
424	G	98.8	Very high	98.3	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.021	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	70.2	-157.9	-175.6	0	0	0	0	0	112.2	A426 A427	G424-A426 PolarHBondContact O-N 3.46Å; G424-A427 WeakPolarHBondContact O-CB 3.42Å; G424-A427 PolarHBondContact O-N 3.33Å
425	E	98.9	Very high	98.6	Very high	27 Å²	27	16 Å²	16	13%	0.126	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-62.3	-16.3	-174.7	-172.7	172.3	-173.6	0	0	115	Y391 N392 A427	Y391-E425 VanDerWaalsContact CA-OE1 3.29Å; Y391-E425 WeakPolarHBondContact CA-OE1 3.45Å; Y391-E425 HydrophobicContact CD2-CB 4.41Å; Y391-E425 HydrophobicContact CD2-CG 3.75Å; Y391-E425 VanDerWaalsContact CD2-OE1 3.23Å; Y391-E425 WeakPolarHBondContact CD2-OE1 3.35Å; Y391-E425 HydrophobicContact CE2-CB 3.68Å; Y391-E425 VanDerWaalsContact CE2-CD 3.46Å; Y391-E425 HydrophobicContact CE2-CG 3.39Å; Y391-E425 HydrophobicContact CG-CG 4.5Å; N392-E425 HydrophobicContact CB-CG 4.44Å; N392-E425 PolarHBondContact N-OE1 3.44Å; E425-A427 PolarHBondContact O-N 3.05Å
426	A	98.9	Very high	98.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-74.1	-16.3	172.7	0	0	0	0	0	112.7	I396 G424	I396-A426 WeakPolarHBondContact CB-O 3.42Å; I396-A426 WeakPolarHBondContact CG1-O 3.41Å; I396-A426 PolarHBondContact N-O 3.29Å; G424-A426 PolarHBondContact O-N 3.46Å
427	A	99	Very high	98.8	Very high	7 Å²	7	7.5 Å²	7.5	6%	0.058	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.9	-175.6	0	0	0	0	0	112.1	I396 T398 A422 G424 E425	I396-A427 CarbonylContact O-C 3.44Å; I396-A427 WeakPolarHBondContact O-CA 3.49Å; T398-A427 HydrophobicContact CG2-CB 4.23Å; A422-A427 HydrophobicContact CB-CB 3.87Å; G424-A427 WeakPolarHBondContact O-CB 3.42Å; G424-A427 PolarHBondContact O-N 3.33Å; E425-A427 PolarHBondContact O-N 3.05Å
428	S	98.9	Very high	98.7	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.007	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	83.1	168.2	-163.5	0	0	0	0	108.1	Q271 M393 I396 P397 T398 S430	Q271-S428 PolarHBondContact NE2-O 3.18Å; Q271-S428 PolarHBondContact NE2-OG 2.8Å; M393-S428 PolarHBondContact O-OG 2.8Å; I396-S428 PolarHBondContact O-N 3.04Å; P397-S428 WeakPolarHBondContact CA-O 3.46Å; T398-S428 PolarHBondContact N-O 3.1Å; T398-S428 VanDerWaalsContact N-O 3.12Å; S428-S430 PolarHBondContact O-N 3.49Å; S428-S430 WeakPolarHBondContact OG-CB 3.48Å
429	A	98.8	Very high	98.8	Very high	9 Å²	9	4.9 Å²	4.9	7%	0.074	3%	0.032	C	C	.	.			trans	-60.9	-29.4	-179.6	0	0	0	0	0	116.4	A121 T398 V431 F448	A121-A429 HydrophobicContact CB-CB 4.23Å; T398-A429 VanDerWaalsContact OG1-CA 3.29Å; T398-A429 WeakPolarHBondContact OG1-CA 3.34Å; A429-V431 HydrophobicContact CB-CG1 4.31Å; A429-F448 HydrophobicContact CB-CE1 4.37Å; A429-F448 HydrophobicContact CB-CZ 4.35Å
430	S	98.7	Very high	98.8	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.007	3%	0.025	C	C	.	.	S	Bend	cis	-100.5	110.8	-16.4	176.3	0	0	0	0	110.6	G117 D118 S428 H432 G433	G117-S430 CarbonylContact C-O 3.46Å; G117-S430 VanDerWaalsContact CA-O 3.3Å; G117-S430 WeakPolarHBondContact CA-O 3.33Å; D118-S430 PolarHBondContact N-O 3.37Å; D118-S430 PolarHBondContact OD2-N 3Å; D118-S430 VanDerWaalsContact OD2-N 3.14Å; S428-S430 PolarHBondContact O-N 3.49Å; S428-S430 WeakPolarHBondContact OG-CB 3.48Å; S430-H432 VanDerWaalsContact C-N 3.32Å; S430-G433 PolarHBondContact OG-N 3.42Å; S430-G433 VanDerWaalsContact OG-N 3.09Å
431	V	98.9	Very high	98.8	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.012	3%	0.03	C	C	.	.	S	Bend	trans	-84.8	-7.2	176.1	-62.1	0	0	0	0	114	T109 A121 I122 M125 A429 D444 F448	T109-V431 VanDerWaalsContact CG2-O 3.3Å; T109-V431 WeakPolarHBondContact CG2-O 3.32Å; A121-V431 VanDerWaalsContact C-CG1 3.48Å; A121-V431 HydrophobicContact CB-CG1 3.6Å; A121-V431 WeakPolarHBondContact O-CG1 3.4Å; I122-V431 HydrophobicContact CG1-CB 4.02Å; I122-V431 HydrophobicContact CG1-CG1 4.27Å; M125-V431 HydrophobicContact CB-CG1 4.21Å; M125-V431 HydrophobicContact CE-CB 3.91Å; M125-V431 HydrophobicContact CE-CG1 4.47Å; M125-V431 HydrophobicContact CE-CG2 4.11Å; M125-V431 HydrophobicContact SD-CB 3.94Å; M125-V431 HydrophobicContact SD-CG1 4.23Å; M125-V431 HydrophobicContact SD-CG2 3.64Å; A429-V431 HydrophobicContact CB-CG1 4.31Å; V431-D444 HydrophobicContact CG2-CB 4.35Å; V431-F448 HydrophobicContact CB-CE2 4.45Å; V431-F448 HydrophobicContact CG1-CE2 3.52Å; V431-F448 HydrophobicContact CG1-CZ 3.41Å; V431-F448 VanDerWaalsContact CG1-CZ 3.41Å; V431-F448 HydrophobicContact CG2-CE2 4.12Å
432	H	98.9	Very high	98.8	Very high	5 Å²	5	4.9 Å²	4.9	2%	0.023	3%	0.03	C	C	.	.	S	Bend	trans	-112.2	-19.7	-172.5	-53.9	-57.6	0	0	0	113.1	S113 Y391 M393 S430 A434 N435 R436 D444	S113-H432 WeakPolarHBondContact CA-O 3.43Å; S113-H432 WeakPolarHBondContact CB-O 3.29Å; Y391-H432 PolarHBondContact OH-CD2 3.46Å; Y391-H432 PolarHBondContact OH-NE2 3.42Å; Y391-H432 VanDerWaalsContact OH-NE2 3.09Å; M393-H432 HydrophobicContact CB-CB 4.42Å; M393-H432 HydrophobicContact CG-CB 3.86Å; S430-H432 VanDerWaalsContact C-N 3.32Å; H432-A434 PolarHBondContact O-N 3.29Å; H432-N435 CarbonylContact O-C 3.54Å; H432-N435 PolarHBondContact O-N 2.78Å; H432-N435 VanDerWaalsContact O-N 3.12Å; H432-N435 VanDerWaalsContact O-O 3.11Å; H432-R436 HydrophobicContact CB-CB 3.87Å; H432-R436 HydrophobicContact CB-CG 4.36Å; H432-R436 VanDerWaalsContact CE1-CD 3.48Å; H432-R436 WeakPolarHBondContact CE1-CD 3.44Å; H432-R436 WeakPolarHBondContact ND1-CD 3.28Å; H432-R436 VanDerWaalsContact ND1-CG 3.3Å; H432-R436 WeakPolarHBondContact ND1-CG 3.4Å; H432-D444 IonicContact CD2-OD2 3.6Å; H432-D444 IonicContact CE1-OD2 2.68Å; H432-D444 IonicContact NE2-OD2 3.33Å; H432-D444 PolarHBondContact NE2-OD2 2.97Å
433	G	98.8	Very high	98.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.7	-126	-177.4	0	0	0	0	0	112.4	L116 M393 S430	L116-G433 VanDerWaalsContact C-CA 3.49Å; L116-G433 WeakPolarHBondContact O-CA 3.33Å; M393-G433 VanDerWaalsContact CB-O 3.22Å; M393-G433 WeakPolarHBondContact CB-O 3.28Å; M393-G433 WeakPolarHBondContact CG-O 3.44Å; S430-G433 PolarHBondContact OG-N 3.42Å; S430-G433 VanDerWaalsContact OG-N 3.09Å
434	A	98.9	Very high	98.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.1	-175.5	0	0	0	0	0	114.5	S113 D114 L116 F275 M393 H432 R575 A577	S113-A434 WeakPolarHBondContact O-CB 3.45Å; S113-A434 PolarHBondContact O-N 2.8Å; D114-A434 HydrophobicContact CB-CB 4.3Å; L116-A434 HydrophobicContact CB-CB 4.27Å; L116-A434 HydrophobicContact CD2-CB 4.07Å; F275-A434 HydrophobicContact CD1-CB 3.54Å; F275-A434 HydrophobicContact CE1-CB 3.42Å; F275-A434 VanDerWaalsContact CE1-CB 3.42Å; F275-A434 HydrophobicContact CG-CB 4.41Å; F275-A434 HydrophobicContact CZ-CB 4.21Å; M393-A434 WeakPolarHBondContact CE-O 3.5Å; H432-A434 PolarHBondContact O-N 3.29Å; A434-R575 HydrophobicContact CB-CB 4.35Å; A434-R575 HydrophobicContact CB-CG 3.64Å; A434-A577 WeakPolarHBondContact O-CB 3.24Å; A434-A577 PolarHBondContact O-N 3.26Å
435	N	98.9	Very high	98.7	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.011	3%	0.032	C	C	.	.	S	Bend	trans	-159.4	118	176.1	165.5	82.3	0	0	0	111.2	G112 Q277 D324 H432 R648	G112-N435 CarbonylContact C-O 3.51Å; G112-N435 VanDerWaalsContact C-O 3.25Å; G112-N435 WeakPolarHBondContact O-CB 3.47Å; G112-N435 PolarHBondContact O-ND2 3.46Å; Q277-N435 PolarHBondContact NE2-OD1 2.98Å; D324-N435 HydrophobicContact CB-CB 4.29Å; D324-N435 PolarHBondContact N-OD1 2.74Å; D324-N435 PolarHBondContact OD1-ND2 3.01Å; D324-N435 PolarHBondContact OD1-OD1 3.06Å; H432-N435 CarbonylContact O-C 3.54Å; H432-N435 PolarHBondContact O-N 2.78Å; H432-N435 VanDerWaalsContact O-N 3.12Å; H432-N435 VanDerWaalsContact O-O 3.11Å; N435-R648 PolarHBondContact ND2-NH2 3.36Å
436	R	98.9	Very high	98.7	Very high	9 Å²	9	4.3 Å²	4.3	3%	0.034	3%	0.027	C	C	.	.	P	Polyproline II helix	trans	-72.5	134.9	174.4	178	167.8	66.7	71.2	-5.6	112.4	Q277 H390 Y391 M393 H432 N440	Q277-R436 PolarHBondContact NE2-O 3.38Å; H390-R436 PolarHBondContact CD2-NH2 3.48Å; H390-R436 PolarHBondContact NE2-NH2 2.95Å; Y391-R436 HydrophobicContact CD1-CB 4.2Å; Y391-R436 VanDerWaalsContact CD2-NE 3.31Å; Y391-R436 VanDerWaalsContact CD2-NH2 3.3Å; Y391-R436 HydrophobicContact CE1-CB 4.17Å; Y391-R436 VanDerWaalsContact CE1-CD 3.44Å; Y391-R436 HydrophobicContact CE1-CG 4.4Å; M393-R436 HydrophobicContact CG-CB 4.23Å; M393-R436 HydrophobicContact SD-CB 4.26Å; H432-R436 HydrophobicContact CB-CB 3.87Å; H432-R436 HydrophobicContact CB-CG 4.36Å; H432-R436 VanDerWaalsContact CE1-CD 3.48Å; H432-R436 WeakPolarHBondContact CE1-CD 3.44Å; H432-R436 WeakPolarHBondContact ND1-CD 3.28Å; H432-R436 VanDerWaalsContact ND1-CG 3.3Å; H432-R436 WeakPolarHBondContact ND1-CG 3.4Å; R436-N440 HydrophobicContact CG-CB 4.46Å
437	L	98.6	Very high	98.7	Very high	3 Å²	3	4.4 Å²	4.4	2%	0.016	3%	0.028	C	C	.	.	P	Polyproline II helix	trans	-70.4	143.3	164.5	-65.3	-170.2	0	0	0	111.8	D108 N440	D108-L437 HydrophobicContact CB-CD1 3.9Å; D108-L437 WeakPolarHBondContact O-CD1 3.19Å; L437-N440 PolarHBondContact O-N 2.84Å
438	G	97.7	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	145.1	172.2	0	0	0	0	0	111.7	N91 F156 N440	N91-G438 PolarHBondContact ND2-O 3.01Å; F156-G438 VanDerWaalsContact CD1-C 3.5Å; F156-G438 VanDerWaalsContact CD1-CA 3.49Å; F156-G438 VanDerWaalsContact CE1-CA 3.43Å; G438-N440 PolarHBondContact O-N 3.36Å; G438-N440 VanDerWaalsContact O-N 3.12Å
439	A	98.5	Very high	98.7	Very high	10 Å²	10	4.2 Å²	4.2	8%	0.083	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-4.1	-174.3	0	0	0	0	0	117.7	G89 N91 F156 C172	G89-A439 VanDerWaalsContact C-CB 3.47Å; G89-A439 WeakPolarHBondContact O-CA 3.06Å; G89-A439 WeakPolarHBondContact O-CB 3.16Å; N91-A439 PolarHBondContact N-O 3.49Å; N91-A439 VanDerWaalsContact OD1-CB 3.3Å; N91-A439 WeakPolarHBondContact OD1-CB 3.39Å; F156-A439 HydrophobicContact CD1-CB 4.41Å; F156-A439 HydrophobicContact CE1-CB 4.46Å; C172-A439 HydrophobicContact CB-CB 4.43Å; C172-A439 WeakPolarHBondContact SG-CB 3.22Å
440	N	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-75.2	-20.5	171.8	-84.6	9.9	0	0	0	113.9	N91 H105 T109 M125 R436 L437 G438 L443 D444	N91-N440 PolarHBondContact ND2-N 3.36Å; N91-N440 PolarHBondContact ND2-OD1 3.27Å; H105-N440 PolarHBondContact NE2-OD1 3.24Å; T109-N440 WeakPolarHBondContact CG2-ND2 3.35Å; T109-N440 PolarHBondContact OG1-ND2 3.25Å; M125-N440 HydrophobicContact CE-CB 4.46Å; R436-N440 HydrophobicContact CG-CB 4.46Å; L437-N440 PolarHBondContact O-N 2.84Å; G438-N440 PolarHBondContact O-N 3.36Å; G438-N440 VanDerWaalsContact O-N 3.12Å; N440-L443 WeakPolarHBondContact O-CB 3.33Å; N440-L443 PolarHBondContact O-N 3.05Å; N440-D444 WeakPolarHBondContact O-CB 3.21Å; N440-D444 PolarHBondContact O-N 3.43Å
441	S	98.7	Very high	98.7	Very high	15 Å²	15	7 Å²	7	11%	0.105	4%	0.035	C	C	.	.	H	α-helix	trans	-70.8	-43.1	-179.9	170.6	0	0	0	0	112.6	Y391 L443 D444 I445	Y391-S441 WeakPolarHBondContact CE2-OG 3.33Å; S441-L443 PolarHBondContact O-N 3.19Å; S441-D444 PolarHBondContact O-N 3.5Å; S441-I445 WeakPolarHBondContact O-CB 3.46Å; S441-I445 WeakPolarHBondContact O-CD1 3.44Å; S441-I445 WeakPolarHBondContact O-CG1 3.15Å; S441-I445 PolarHBondContact O-N 3.3Å
442	L	98.7	Very high	98.7	Very high	7 Å²	7	6.9 Å²	6.9	4%	0.037	3%	0.034	C	C	.	.	H	α-helix	trans	-63.6	-32.3	175.4	-70.3	-172.7	0	0	0	111.5	T83 A86 I90 T179 L183 I445 V446	T83-L442 HydrophobicContact CG2-CD2 3.9Å; A86-L442 HydrophobicContact CB-CD1 3.97Å; A86-L442 HydrophobicContact CB-CD2 3.87Å; A86-L442 HydrophobicContact CB-CG 4.11Å; I90-L442 HydrophobicContact CB-CB 4Å; I90-L442 HydrophobicContact CD1-CB 4.24Å; I90-L442 HydrophobicContact CG1-CB 4.16Å; T179-L442 HydrophobicContact CG2-CD1 4.14Å; L183-L442 HydrophobicContact CD1-CB 4.3Å; L183-L442 HydrophobicContact CD1-CD1 4.33Å; L183-L442 HydrophobicContact CD1-CD2 4.5Å; L442-I445 HydrophobicContact CD2-CD1 4.2Å; L442-V446 PolarHBondContact O-N 3.31Å
443	L	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-65.9	-54.2	173.6	173.6	63.5	0	0	0	111.6	I90 M125 A129 N440 S441 I445 V446 V447	I90-L443 HydrophobicContact CD1-CB 4.31Å; I90-L443 HydrophobicContact CG1-CB 3.92Å; M125-L443 HydrophobicContact CE-CD2 4.36Å; M125-L443 HydrophobicContact CG-CD2 3.67Å; M125-L443 HydrophobicContact CG-CG 3.74Å; M125-L443 HydrophobicContact SD-CD2 4.04Å; M125-L443 HydrophobicContact SD-CG 4.16Å; A129-L443 HydrophobicContact CB-CD1 3.45Å; A129-L443 VanDerWaalsContact CB-CD1 3.45Å; A129-L443 HydrophobicContact CB-CD2 3.71Å; A129-L443 HydrophobicContact CB-CG 4.23Å; N440-L443 WeakPolarHBondContact O-CB 3.33Å; N440-L443 PolarHBondContact O-N 3.05Å; S441-L443 PolarHBondContact O-N 3.19Å; L443-I445 VanDerWaalsContact C-N 3.28Å; L443-I445 PolarHBondContact O-N 3.17Å; L443-V446 WeakPolarHBondContact O-CG2 3.16Å; L443-V446 PolarHBondContact O-N 2.83Å; L443-V446 VanDerWaalsContact O-N 3.17Å; L443-V447 HydrophobicContact CD1-CG2 3.53Å; L443-V447 HydrophobicContact CG-CG2 4.18Å; L443-V447 WeakPolarHBondContact O-CB 3.42Å; L443-V447 WeakPolarHBondContact O-CG2 3.24Å; L443-V447 PolarHBondContact O-N 2.99Å
444	D	98.7	Very high	98.7	Very high	6 Å²	6	10.1 Å²	10.1	3%	0.032	5%	0.052	C	C	.	.	H	α-helix	trans	-48.6	-51.6	175.6	154.4	15.3	0	0	0	111	M125 V431 H432 N440 S441 V446 V447 F448	M125-D444 HydrophobicContact SD-CB 4.1Å; V431-D444 HydrophobicContact CG2-CB 4.35Å; H432-D444 IonicContact CD2-OD2 3.6Å; H432-D444 IonicContact CE1-OD2 2.68Å; H432-D444 IonicContact NE2-OD2 3.33Å; H432-D444 PolarHBondContact NE2-OD2 2.97Å; N440-D444 WeakPolarHBondContact O-CB 3.21Å; N440-D444 PolarHBondContact O-N 3.43Å; S441-D444 PolarHBondContact O-N 3.5Å; D444-V446 VanDerWaalsContact C-N 3.34Å; D444-V446 PolarHBondContact O-N 3.15Å; D444-V447 PolarHBondContact O-N 3.22Å; D444-F448 HydrophobicContact CB-CD2 4.19Å; D444-F448 HydrophobicContact CB-CE2 4.5Å; D444-F448 WeakPolarHBondContact O-CB 3.49Å; D444-F448 WeakPolarHBondContact O-CD2 3.49Å; D444-F448 PolarHBondContact O-N 2.94Å; D444-F448 VanDerWaalsContact OD1-CD2 3.3Å; D444-F448 WeakPolarHBondContact OD1-CD2 3.26Å
445	I	98.4	Very high	98.7	Very high	11 Å²	11	10.7 Å²	10.7	6%	0.056	6%	0.055	C	C	.	.	H	α-helix	trans	-49.8	-51.6	179.2	-77.4	171.3	0	0	0	112	A55 S441 L442 L443 G449	A55-I445 WeakPolarHBondContact CA-O 3.43Å; A55-I445 HydrophobicContact CB-CB 4.2Å; A55-I445 HydrophobicContact CB-CG1 4.27Å; A55-I445 HydrophobicContact CB-CG2 3.91Å; S441-I445 WeakPolarHBondContact O-CB 3.46Å; S441-I445 WeakPolarHBondContact O-CD1 3.44Å; S441-I445 WeakPolarHBondContact O-CG1 3.15Å; S441-I445 PolarHBondContact O-N 3.3Å; L442-I445 HydrophobicContact CD2-CD1 4.2Å; L443-I445 VanDerWaalsContact C-N 3.28Å; L443-I445 PolarHBondContact O-N 3.17Å; I445-G449 PolarHBondContact O-N 2.61Å; I445-G449 VanDerWaalsContact O-N 3.11Å
446	V	98.6	Very high	98.7	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.012	5%	0.054	C	C	.	.	H	α-helix	trans	-80.2	-32	-176.1	-61.3	0	0	0	0	112.8	R58 I90 A132 L136 L183 L187 L442 L443 D444 R450	R58-V446 HydrophobicContact CG-CB 4.47Å; R58-V446 WeakPolarHBondContact CG-O 3.04Å; I90-V446 HydrophobicContact CD1-CG2 3.97Å; A132-V446 HydrophobicContact CB-CG2 4.05Å; L136-V446 HydrophobicContact CD1-CG1 4.22Å; L136-V446 HydrophobicContact CD1-CG2 4.36Å; L136-V446 HydrophobicContact CD2-CG1 4.27Å; L183-V446 HydrophobicContact CD1-CG1 4.36Å; L187-V446 HydrophobicContact CD1-CG1 4.27Å; L442-V446 PolarHBondContact O-N 3.31Å; L443-V446 WeakPolarHBondContact O-CG2 3.16Å; L443-V446 PolarHBondContact O-N 2.83Å; L443-V446 VanDerWaalsContact O-N 3.17Å; D444-V446 VanDerWaalsContact C-N 3.34Å; D444-V446 PolarHBondContact O-N 3.15Å; V446-R450 VanDerWaalsContact O-CB 3.23Å; V446-R450 WeakPolarHBondContact O-CB 3.18Å; V446-R450 PolarHBondContact O-N 3.26Å
447	V	98.9	Very high	98.7	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.018	6%	0.063	C	C	.	.	H	α-helix	trans	-72.2	-52.2	178.8	172.4	0	0	0	0	111	Y124 E128 A132 L443 D444 R450 A451	Y124-V447 HydrophobicContact CD1-CG1 3.65Å; Y124-V447 HydrophobicContact CE1-CG1 3.44Å; Y124-V447 VanDerWaalsContact CE1-CG1 3.44Å; E128-V447 HydrophobicContact CB-CG1 4.17Å; E128-V447 HydrophobicContact CB-CG2 4.24Å; A132-V447 HydrophobicContact CB-CG2 3.99Å; L443-V447 HydrophobicContact CD1-CG2 3.53Å; L443-V447 HydrophobicContact CG-CG2 4.18Å; L443-V447 WeakPolarHBondContact O-CB 3.42Å; L443-V447 WeakPolarHBondContact O-CG2 3.24Å; L443-V447 PolarHBondContact O-N 2.99Å; D444-V447 PolarHBondContact O-N 3.22Å; V447-R450 WeakPolarHBondContact O-CB 3.17Å; V447-R450 PolarHBondContact O-N 3.3Å; V447-A451 WeakPolarHBondContact O-CB 3.03Å; V447-A451 PolarHBondContact O-N 3.26Å
448	F	98.9	Very high	98.7	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.013	10%	0.096	C	C	.	.	H	α-helix	trans	-79.4	-28.8	-176.3	-67	-72.6	0	0	0	112.7	A121 Y124 M125 Y400 A423 A429 V431 D444 R450 A451 C452	A121-F448 HydrophobicContact CB-CZ 4.31Å; Y124-F448 HydrophobicContact CD1-CE1 4.07Å; Y124-F448 HydrophobicContact CD1-CZ 4.46Å; M125-F448 HydrophobicContact CB-CE2 3.99Å; M125-F448 HydrophobicContact CB-CZ 4.08Å; M125-F448 HydrophobicContact CG-CE2 4.15Å; M125-F448 HydrophobicContact SD-CE2 4.26Å; Y400-F448 WeakPolarHBondContact O-CE1 3.33Å; A423-F448 HydrophobicContact CB-CB 4.15Å; A429-F448 HydrophobicContact CB-CE1 4.37Å; A429-F448 HydrophobicContact CB-CZ 4.35Å; V431-F448 HydrophobicContact CB-CE2 4.45Å; V431-F448 HydrophobicContact CG1-CE2 3.52Å; V431-F448 HydrophobicContact CG1-CZ 3.41Å; V431-F448 VanDerWaalsContact CG1-CZ 3.41Å; V431-F448 HydrophobicContact CG2-CE2 4.12Å; D444-F448 HydrophobicContact CB-CD2 4.19Å; D444-F448 HydrophobicContact CB-CE2 4.5Å; D444-F448 WeakPolarHBondContact O-CB 3.49Å; D444-F448 WeakPolarHBondContact O-CD2 3.49Å; D444-F448 PolarHBondContact O-N 2.94Å; D444-F448 VanDerWaalsContact OD1-CD2 3.3Å; D444-F448 WeakPolarHBondContact OD1-CD2 3.26Å; F448-R450 VanDerWaalsContact C-N 3.29Å; F448-R450 PolarHBondContact O-N 3.31Å; F448-A451 HydrophobicContact CD1-CB 4.41Å; F448-A451 PolarHBondContact O-N 3.21Å; F448-C452 PolarHBondContact O-N 3.41Å; F448-C452 PolarHBondContact O-SG 3.38Å
449	G	98.8	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-44	166.7	0	0	0	0	0	111.5	A59 I445	A59-G449 WeakPolarHBondContact CA-O 3.18Å; A59-G449 VanDerWaalsContact CB-O 3.31Å; A59-G449 WeakPolarHBondContact CB-O 3.34Å; I445-G449 PolarHBondContact O-N 2.61Å; I445-G449 VanDerWaalsContact O-N 3.11Å
450	R	98.9	Very high	98.6	Very high	64 Å²	64	20.9 Å²	20.9	24%	0.242	12%	0.119	C	C	.	.	H	α-helix	trans	-67.4	-41.2	173.6	-177	176.8	-172.8	-118.4	-0.9	112.2	R58 E128 E135 V446 V447 F448 C452 A453 L454	R58-R450 HydrophobicContact CG-CB 4.11Å; E128-R450 IonicContact OE2-NH1 3.7Å; E128-R450 PolarHBondContact OE2-NH1 2.83Å; E135-R450 IonicContact OE1-NE 3.38Å; V446-R450 VanDerWaalsContact O-CB 3.23Å; V446-R450 WeakPolarHBondContact O-CB 3.18Å; V446-R450 PolarHBondContact O-N 3.26Å; V447-R450 WeakPolarHBondContact O-CB 3.17Å; V447-R450 PolarHBondContact O-N 3.3Å; F448-R450 VanDerWaalsContact C-N 3.29Å; F448-R450 PolarHBondContact O-N 3.31Å; R450-C452 PolarHBondContact O-N 3.35Å; R450-A453 PolarHBondContact O-N 3.28Å; R450-A453 VanDerWaalsContact O-N 3.17Å; R450-L454 HydrophobicContact CG-CD1 4Å; R450-L454 HydrophobicContact CG-CG 4.31Å; R450-L454 WeakPolarHBondContact O-CG 3.36Å; R450-L454 PolarHBondContact O-N 3.11Å
451	A	98.8	Very high	98.5	Very high	4 Å²	4	28 Å²	28	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-59.6	-43.3	179.8	0	0	0	0	0	112.4	Y124 V447 F448 A453 L454 D455	Y124-A451 HydrophobicContact CE1-CB 3.88Å; V447-A451 WeakPolarHBondContact O-CB 3.03Å; V447-A451 PolarHBondContact O-N 3.26Å; F448-A451 HydrophobicContact CD1-CB 4.41Å; F448-A451 PolarHBondContact O-N 3.21Å; A451-A453 VanDerWaalsContact C-N 3.33Å; A451-A453 PolarHBondContact O-N 3.5Å; A451-L454 PolarHBondContact O-N 3.33Å; A451-D455 PolarHBondContact O-N 2.68Å
452	C	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-47.8	174	-68.5	0	0	0	0	111.4	V236 Y421 F448 R450 L454 D455 I456	V236-C452 HydrophobicContact CG1-CB 4.28Å; V236-C452 HydrophobicContact CG2-CB 4.37Å; Y421-C452 HydrophobicContact CD1-CB 4.15Å; F448-C452 PolarHBondContact O-N 3.41Å; F448-C452 PolarHBondContact O-SG 3.38Å; R450-C452 PolarHBondContact O-N 3.35Å; C452-L454 PolarHBondContact O-N 3.04Å; C452-D455 PolarHBondContact O-N 2.94Å; C452-I456 WeakPolarHBondContact O-CB 3.47Å; C452-I456 WeakPolarHBondContact O-CD1 3.25Å; C452-I456 WeakPolarHBondContact O-CG1 3.39Å; C452-I456 PolarHBondContact O-N 2.74Å
453	A	98.8	Very high	98.3	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-43.1	178.8	0	0	0	0	0	112.1	L63 R450 A451 A457	L63-A453 HydrophobicContact CD2-CB 4.26Å; L63-A453 HydrophobicContact CG-CB 3.95Å; R450-A453 PolarHBondContact O-N 3.28Å; R450-A453 VanDerWaalsContact O-N 3.17Å; A451-A453 VanDerWaalsContact C-N 3.33Å; A451-A453 PolarHBondContact O-N 3.5Å; A453-A457 WeakPolarHBondContact O-CB 3.47Å; A453-A457 PolarHBondContact O-N 3.34Å
454	L	98.7	Very high	98.1	Very high	70 Å²	70	35.4 Å²	35.4	37%	0.366	21%	0.207	S	C	.	.	H	α-helix	trans	-66.1	-43.9	179.1	-68.8	175	0	0	0	112.7	R450 A451 C452 A457 A458	R450-L454 HydrophobicContact CG-CD1 4Å; R450-L454 HydrophobicContact CG-CG 4.31Å; R450-L454 WeakPolarHBondContact O-CG 3.36Å; R450-L454 PolarHBondContact O-N 3.11Å; A451-L454 PolarHBondContact O-N 3.33Å; C452-L454 PolarHBondContact O-N 3.04Å; L454-A457 PolarHBondContact O-N 2.99Å; L454-A458 WeakPolarHBondContact O-CB 3.38Å; L454-A458 PolarHBondContact O-N 2.75Å
455	D	98.7	Very high	97.7	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.064	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-38	178.8	-171	73.2	0	0	0	111.6	K401 Q403 Y421 A451 C452 A458 K459	K401-D455 HydrophobicContact CB-CB 4.23Å; K401-D455 VanDerWaalsContact CD-OD1 3.28Å; K401-D455 WeakPolarHBondContact CD-OD1 3.48Å; Q403-D455 PolarHBondContact NE2-OD2 3.15Å; Y421-D455 HydrophobicContact CE1-CB 4.16Å; Y421-D455 WeakPolarHBondContact CE1-OD2 3.35Å; Y421-D455 PolarHBondContact OH-OD2 3.01Å; A451-D455 PolarHBondContact O-N 2.68Å; C452-D455 PolarHBondContact O-N 2.94Å; D455-A458 PolarHBondContact O-N 2.89Å; D455-K459 WeakPolarHBondContact O-CB 3.33Å; D455-K459 PolarHBondContact O-N 3.22Å; D455-K459 WeakPolarHBondContact OD1-CE 3.46Å; D455-K459 IonicContact OD1-NZ 2.81Å; D455-K459 PolarHBondContact OD1-NZ 3.09Å; D455-K459 IonicContact OD2-NZ 2.83Å; D455-K459 PolarHBondContact OD2-NZ 2.85Å
456	I	98.8	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-47.3	173.6	-70.3	166.1	0	0	0	110.5	L63 F68 N234 V236 Y421 C452 A458 K459 N460	L63-I456 HydrophobicContact CD1-CD1 4.33Å; L63-I456 HydrophobicContact CD2-CB 3.79Å; L63-I456 HydrophobicContact CD2-CD1 3.89Å; L63-I456 HydrophobicContact CD2-CG1 4.44Å; L63-I456 HydrophobicContact CD2-CG2 3.55Å; F68-I456 HydrophobicContact CD1-CG2 4.42Å; F68-I456 HydrophobicContact CE1-CG2 4.04Å; F68-I456 HydrophobicContact CZ-CG2 4.18Å; N234-I456 HydrophobicContact CB-CD1 3.77Å; N234-I456 HydrophobicContact CB-CG1 4.01Å; N234-I456 HydrophobicContact CB-CG2 4.25Å; V236-I456 HydrophobicContact CG2-CD1 3.9Å; Y421-I456 HydrophobicContact CD2-CD1 3.98Å; Y421-I456 HydrophobicContact CD2-CG1 4.13Å; Y421-I456 HydrophobicContact CE1-CG1 3.98Å; Y421-I456 HydrophobicContact CE2-CD1 3.95Å; Y421-I456 HydrophobicContact CE2-CG1 3.59Å; Y421-I456 HydrophobicContact CG-CD1 4.32Å; C452-I456 WeakPolarHBondContact O-CB 3.47Å; C452-I456 WeakPolarHBondContact O-CD1 3.25Å; C452-I456 WeakPolarHBondContact O-CG1 3.39Å; C452-I456 PolarHBondContact O-N 2.74Å; I456-A458 VanDerWaalsContact C-N 3.31Å; I456-A458 PolarHBondContact O-N 3.06Å; I456-K459 PolarHBondContact O-N 3.43Å; I456-N460 WeakPolarHBondContact O-CB 3.47Å; I456-N460 PolarHBondContact O-N 2.83Å; I456-N460 PolarHBondContact O-ND2 3.11Å
457	A	98.5	Very high	97	Very high	28 Å²	28	41.4 Å²	41.4	23%	0.231	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-33.1	178.8	0	0	0	0	0	113.1	E66 F68 A453 L454 K459	E66-A457 HydrophobicContact CB-CB 4.11Å; E66-A457 HydrophobicContact CG-CB 3.91Å; F68-A457 HydrophobicContact CE2-CB 3.86Å; F68-A457 HydrophobicContact CZ-CB 4.43Å; A453-A457 WeakPolarHBondContact O-CB 3.47Å; A453-A457 PolarHBondContact O-N 3.34Å; L454-A457 PolarHBondContact O-N 2.99Å; A457-K459 VanDerWaalsContact C-N 3.34Å
458	A	98.2	Very high	96.7	Very high	84 Å²	84	49 Å²	49	69%	0.694	29%	0.294	S	S	*	.	H	α-helix	trans	-72	-26	176.6	0	0	0	0	0	113.4	L454 D455 I456	L454-A458 WeakPolarHBondContact O-CB 3.38Å; L454-A458 PolarHBondContact O-N 2.75Å; D455-A458 PolarHBondContact O-N 2.89Å; I456-A458 VanDerWaalsContact C-N 3.31Å; I456-A458 PolarHBondContact O-N 3.06Å
459	K	97.2	Very high	96.4	Very high	105 Å²	105	50.5 Å²	50.5	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-107.9	-14.9	-172.1	-73.2	173.4	175.1	156	0	114.9	Q403 D455 I456 A457	Q403-K459 VanDerWaalsContact CD-NZ 3.32Å; D455-K459 WeakPolarHBondContact O-CB 3.33Å; D455-K459 PolarHBondContact O-N 3.22Å; D455-K459 WeakPolarHBondContact OD1-CE 3.46Å; D455-K459 IonicContact OD1-NZ 2.81Å; D455-K459 PolarHBondContact OD1-NZ 3.09Å; D455-K459 IonicContact OD2-NZ 2.83Å; D455-K459 PolarHBondContact OD2-NZ 2.85Å; I456-K459 PolarHBondContact O-N 3.43Å; A457-K459 VanDerWaalsContact C-N 3.34Å
460	N	97.6	Very high	96.1	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.118	32%	0.323	C	S	.	.			trans	-134.9	165.1	-174.3	-54.7	-85.1	0	0	0	110.1	F68 K233 N234 I456	F68-N460 HydrophobicContact CE1-CB 3.91Å; F68-N460 HydrophobicContact CZ-CB 4.2Å; K233-N460 VanDerWaalsContact CD-OD1 3.31Å; K233-N460 WeakPolarHBondContact CD-OD1 3.48Å; K233-N460 WeakPolarHBondContact CE-OD1 3.42Å; K233-N460 PolarHBondContact NZ-OD1 2.69Å; N234-N460 PolarHBondContact ND2-ND2 3.13Å; I456-N460 WeakPolarHBondContact O-CB 3.47Å; I456-N460 PolarHBondContact O-N 2.83Å; I456-N460 PolarHBondContact O-ND2 3.11Å
461	K	97.4	Very high	95.8	Very high	149 Å²	149	55.3 Å²	55.3	65%	0.648	33%	0.331	S	S	*	.			trans	-118.7	146.4	170.9	-62.1	176.7	-176.1	-69.6	0	110	G463 D464	K461-G463 PolarHBondContact O-N 2.83Å; K461-D464 PolarHBondContact N-OD2 3.4Å; K461-D464 WeakPolarHBondContact O-CB 3.41Å; K461-D464 PolarHBondContact O-N 3.13Å
462	P	97.6	Very high	95.4	Very high	62 Å²	62	59.4 Å²	59.4	40%	0.403	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	135.8	169.3	-27.3	36	0	0	0	111.6	G67 F68 D464	G67-P462 WeakPolarHBondContact O-CB 3.49Å; F68-P462 HydrophobicContact CD1-CG 4.37Å; F68-P462 HydrophobicContact CD2-CG 4.01Å; F68-P462 HydrophobicContact CE1-CG 4.42Å; F68-P462 HydrophobicContact CE2-CG 4.07Å; F68-P462 HydrophobicContact CG-CG 4.16Å; F68-P462 HydrophobicContact CZ-CG 4.27Å; P462-D464 VanDerWaalsContact C-N 3.3Å; P462-D464 PolarHBondContact O-N 3.08Å
463	G	95.8	Very high	95.2	Very high	62 Å²	62	60.3 Å²	60.3	64%	0.639	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	4.5	-178.4	0	0	0	0	0	115.9	D46 K461	D46-G463 PolarHBondContact OD1-N 2.93Å; D46-G463 VanDerWaalsContact OD1-N 3.17Å; D46-G463 PolarHBondContact OD2-N 3.14Å; K461-G463 PolarHBondContact O-N 2.83Å
464	D	93.2	Very high	94.9	Very high	54 Å²	54	60.9 Å²	60.9	29%	0.289	36%	0.364	S	S	.	.			trans	-50.6	141.5	167.6	-84.4	-10.6	0	0	0	110.4	K233 K461 P462 G466	K233-D464 HydrophobicContact CD-CB 4.22Å; K233-D464 IonicContact NZ-OD2 2.73Å; K233-D464 PolarHBondContact NZ-OD2 3.23Å; K461-D464 PolarHBondContact N-OD2 3.4Å; K461-D464 WeakPolarHBondContact O-CB 3.41Å; K461-D464 PolarHBondContact O-N 3.13Å; P462-D464 VanDerWaalsContact C-N 3.3Å; P462-D464 PolarHBondContact O-N 3.08Å; D464-G466 PolarHBondContact O-N 2.72Å
465	A	91.5	Very high	94.7	Very high	96 Å²	96	60.8 Å²	60.8	79%	0.793	36%	0.362	S	S	*	.			trans	-57.3	114.6	178.2	0	0	0	0	0	110.7
466	G	88.9	Confident	94.5	Very high	23 Å²	23	64.1 Å²	64.1	24%	0.237	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-69.9	155.4	175.6	0	0	0	0	0	111.8	R231 D464	R231-G466 VanDerWaalsContact NH1-C 3.33Å; R231-G466 PolarHBondContact NH1-O 2.77Å; R231-G466 VanDerWaalsContact NH1-O 3.13Å; D464-G466 PolarHBondContact O-N 2.72Å
467	P	92.4	Very high	94.4	Very high	26 Å²	26	64.6 Å²	64.6	17%	0.169	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63.6	146.7	-178.2	29.2	-36	0	0	0	110.8	R215 R231 S232	R215-P467 HydrophobicContact CB-CB 4.22Å; R215-P467 HydrophobicContact CB-CG 3.78Å; R215-P467 HydrophobicContact CG-CB 3.85Å; R215-P467 HydrophobicContact CG-CG 3.87Å; R231-P467 WeakPolarHBondContact CD-O 3.3Å; R231-P467 HydrophobicContact CG-CG 4.39Å; R231-P467 WeakPolarHBondContact CG-O 3.18Å; R231-P467 PolarHBondContact NH1-O 2.94Å; S232-P467 WeakPolarHBondContact O-CG 3.16Å
468	E	92.9	Very high	94.4	Very high	162 Å²	162	63.7 Å²	63.7	76%	0.757	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-78.1	152.5	168.9	-65.2	-160.6	155.2	0	0	111.1	R215	R215-E468 PolarHBondContact NH1-O 2.9Å
469	L	93	Very high	94.3	Very high	34 Å²	34	62.6 Å²	62.6	18%	0.178	38%	0.377	C	S	.	.			trans	-109.6	136.9	173.6	-63.1	174.6	0	0	0	109.1	L208 R215 R229 R231 T473	L208-L469 HydrophobicContact CB-CD2 4.29Å; L208-L469 HydrophobicContact CD1-CD1 3.75Å; L208-L469 HydrophobicContact CD1-CD2 4.27Å; R215-L469 HydrophobicContact CB-CD2 3.7Å; R229-L469 HydrophobicContact CB-CD1 4.48Å; R231-L469 HydrophobicContact CB-CD1 3.88Å; R231-L469 HydrophobicContact CB-CG 4.36Å; R231-L469 HydrophobicContact CG-CD1 3.93Å; R231-L469 HydrophobicContact CG-CD2 4.4Å; R231-L469 HydrophobicContact CG-CG 3.83Å; L469-T473 HydrophobicContact CD2-CG2 3.98Å
470	K	93.2	Very high	94.3	Very high	102 Å²	102	59.4 Å²	59.4	44%	0.443	36%	0.364	S	S	.	.			trans	-61.8	148.4	167.3	-66	172.8	172.5	128.5	0	109.5	E210 D472 T473	E210-K470 WeakPolarHBondContact OE1-CD 3.28Å; E210-K470 WeakPolarHBondContact OE1-CE 3.47Å; E210-K470 WeakPolarHBondContact OE1-CG 3.19Å; E210-K470 IonicContact OE1-NZ 3.23Å; E210-K470 PolarHBondContact OE1-NZ 2.83Å; K470-D472 WeakPolarHBondContact CB-OD1 3.47Å; K470-D472 PolarHBondContact O-N 3.44Å; K470-T473 WeakPolarHBondContact CB-OG1 3.32Å; K470-T473 PolarHBondContact N-OG1 2.94Å; K470-T473 VanDerWaalsContact O-CB 3.25Å; K470-T473 WeakPolarHBondContact O-CB 3.45Å; K470-T473 PolarHBondContact O-N 2.91Å; K470-T473 PolarHBondContact O-OG1 2.76Å; K470-T473 VanDerWaalsContact O-OG1 3.05Å
471	P	91	Very high	94.3	Very high	64 Å²	64	58.4 Å²	58.4	42%	0.416	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-40.5	-177.4	-26.2	34.5	0	0	0	113.4	L32 R229 T473	L32-P471 HydrophobicContact CD1-CB 4.05Å; L32-P471 WeakPolarHBondContact CD1-O 3.41Å; L32-P471 HydrophobicContact CD2-CB 3.58Å; L32-P471 HydrophobicContact CG-CB 4.41Å; R229-P471 PolarHBondContact NH1-O 3.24Å; P471-T473 VanDerWaalsContact C-N 3.29Å; P471-T473 PolarHBondContact O-N 3.08Å
472	D	91.3	Very high	94.2	Very high	89 Å²	89	54 Å²	54	48%	0.476	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.4	179.4	61.7	-14.9	0	0	0	114.7	K470 G474 E475	K470-D472 WeakPolarHBondContact CB-OD1 3.47Å; K470-D472 PolarHBondContact O-N 3.44Å; D472-G474 PolarHBondContact O-N 2.84Å; D472-G474 VanDerWaalsContact O-N 3.12Å; D472-E475 VanDerWaalsContact O-CB 3.26Å; D472-E475 WeakPolarHBondContact O-CB 3.18Å; D472-E475 PolarHBondContact O-N 3.25Å
473	T	93.6	Very high	94.1	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.123	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	119.5	-180	-60	0	0	0	0	110.4	L208 R229 L469 K470 P471	L208-T473 HydrophobicContact CB-CG2 3.92Å; L208-T473 HydrophobicContact CD2-CG2 3.73Å; L208-T473 HydrophobicContact CG-CG2 4.23Å; R229-T473 WeakPolarHBondContact CD-O 3.46Å; R229-T473 PolarHBondContact NH1-O 3.35Å; L469-T473 HydrophobicContact CD2-CG2 3.98Å; K470-T473 WeakPolarHBondContact CB-OG1 3.32Å; K470-T473 PolarHBondContact N-OG1 2.94Å; K470-T473 VanDerWaalsContact O-CB 3.25Å; K470-T473 WeakPolarHBondContact O-CB 3.45Å; K470-T473 PolarHBondContact O-N 2.91Å; K470-T473 PolarHBondContact O-OG1 2.76Å; K470-T473 VanDerWaalsContact O-OG1 3.05Å; P471-T473 VanDerWaalsContact C-N 3.29Å; P471-T473 PolarHBondContact O-N 3.08Å
474	G	94	Very high	94.2	Very high	14 Å²	14	53.1 Å²	53.1	14%	0.144	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-7.7	-176.8	0	0	0	0	0	115	D472 A476 S477 I478	D472-G474 PolarHBondContact O-N 2.84Å; D472-G474 VanDerWaalsContact O-N 3.12Å; G474-A476 VanDerWaalsContact C-N 3.31Å; G474-A476 PolarHBondContact O-N 3.45Å; G474-S477 WeakPolarHBondContact O-CB 3.47Å; G474-S477 PolarHBondContact O-N 3.38Å; G474-I478 WeakPolarHBondContact O-CG1 3.48Å; G474-I478 PolarHBondContact O-N 2.87Å
475	E	94.2	Very high	94.4	Very high	69 Å²	69	52.5 Å²	52.5	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-38.6	-174.7	-175.3	172.8	-175.8	0	0	113.6	Y34 T35 D472 S477 I478 A479	Y34-E475 WeakPolarHBondContact CB-OE1 3.41Å; T35-E475 HydrophobicContact CG2-CG 4.23Å; D472-E475 VanDerWaalsContact O-CB 3.26Å; D472-E475 WeakPolarHBondContact O-CB 3.18Å; D472-E475 PolarHBondContact O-N 3.25Å; E475-S477 VanDerWaalsContact C-N 3.3Å; E475-S477 PolarHBondContact O-N 3.44Å; E475-I478 WeakPolarHBondContact O-CB 3.29Å; E475-I478 PolarHBondContact O-N 3.11Å; E475-A479 PolarHBondContact O-N 3.49Å
476	A	94.5	Very high	94.6	Very high	82 Å²	82	51.1 Å²	51.1	68%	0.678	29%	0.288	S	S	*	.	H	α-helix	trans	-61	-37.2	177.1	0	0	0	0	0	112.9	G474 A479 N480	G474-A476 VanDerWaalsContact C-N 3.31Å; G474-A476 PolarHBondContact O-N 3.45Å; A476-A479 PolarHBondContact O-N 3.1Å; A476-N480 PolarHBondContact O-N 3.31Å
477	S	97.1	Very high	95.1	Very high	10 Å²	10	50.8 Å²	50.8	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-38.6	176.9	-51.1	0	0	0	0	111.3	D206 G474 E475 N480 Y481	D206-S477 VanDerWaalsContact CB-OG 3.28Å; D206-S477 WeakPolarHBondContact CB-OG 3.28Å; D206-S477 WeakPolarHBondContact OD2-CB 3.24Å; D206-S477 PolarHBondContact OD2-OG 2.79Å; G474-S477 WeakPolarHBondContact O-CB 3.47Å; G474-S477 PolarHBondContact O-N 3.38Å; E475-S477 VanDerWaalsContact C-N 3.3Å; E475-S477 PolarHBondContact O-N 3.44Å; S477-N480 PolarHBondContact O-N 2.82Å; S477-Y481 WeakPolarHBondContact O-CB 3.3Å; S477-Y481 PolarHBondContact O-N 3.39Å
478	I	96.9	Very high	95.3	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.046	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-42.9	174.9	-53.8	-173.3	0	0	0	110.4	T35 Y38 I40 I218 L227 G474 E475 N480 Y481 E482	T35-I478 HydrophobicContact CG2-CD1 4.21Å; T35-I478 HydrophobicContact CG2-CG2 4.3Å; Y38-I478 HydrophobicContact CD2-CG2 3.97Å; Y38-I478 HydrophobicContact CG-CG2 4.42Å; I40-I478 HydrophobicContact CD1-CD1 3.52Å; I40-I478 HydrophobicContact CG1-CD1 4.08Å; I218-I478 HydrophobicContact CD1-CD1 4.05Å; I218-I478 HydrophobicContact CD1-CG1 3.74Å; L227-I478 HydrophobicContact CD1-CB 4.27Å; L227-I478 HydrophobicContact CD1-CD1 3.92Å; L227-I478 HydrophobicContact CD1-CG1 3.82Å; L227-I478 HydrophobicContact CD1-CG2 3.75Å; G474-I478 WeakPolarHBondContact O-CG1 3.48Å; G474-I478 PolarHBondContact O-N 2.87Å; E475-I478 WeakPolarHBondContact O-CB 3.29Å; E475-I478 PolarHBondContact O-N 3.11Å; I478-N480 PolarHBondContact O-N 3.08Å; I478-Y481 WeakPolarHBondContact O-CB 3.32Å; I478-Y481 PolarHBondContact O-N 3.22Å; I478-E482 PolarHBondContact O-N 3.4Å
479	A	96.3	Very high	95.5	Very high	61 Å²	61	48.4 Å²	48.4	50%	0.504	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-41.9	176.5	0	0	0	0	0	112.1	E475 A476 K483	E475-A479 PolarHBondContact O-N 3.49Å; A476-A479 PolarHBondContact O-N 3.1Å; A479-K483 VanDerWaalsContact O-CB 3.28Å; A479-K483 WeakPolarHBondContact O-CB 3.3Å; A479-K483 PolarHBondContact O-N 2.88Å
480	N	97.2	Very high	95.8	Very high	37 Å²	37	50.7 Å²	50.7	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-43.3	174.2	179.6	60.3	0	0	0	112.2	A476 S477 I478 E482 K483 L484 Q555	A476-N480 PolarHBondContact O-N 3.31Å; S477-N480 PolarHBondContact O-N 2.82Å; I478-N480 PolarHBondContact O-N 3.08Å; N480-E482 PolarHBondContact O-N 2.81Å; N480-K483 PolarHBondContact O-N 3.28Å; N480-L484 PolarHBondContact O-N 3.48Å; N480-Q555 PolarHBondContact ND2-OE1 2.77Å; N480-Q555 PolarHBondContact OD1-NE2 3.08Å
481	Y	97.4	Very high	96	Very high	1 Å²	1	49 Å²	49	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-56.2	-49.2	176.3	179.4	-87.5	0	0	0	111.3	Y38 L205 V220 S477 I478 L484 R485 L548 M549 L552	Y38-Y481 AromaticContact CE1-CD1 3.96Å; Y38-Y481 HydrophobicContact CE1-CD1 3.96Å; Y38-Y481 AromaticContact CE1-CE1 3.6Å; Y38-Y481 HydrophobicContact CE1-CE1 3.6Å; Y38-Y481 AromaticContact CZ-CD1 3.79Å; Y38-Y481 AromaticContact CZ-CE1 3.76Å; Y38-Y481 WeakPolarHBondContact OH-CE1 3.42Å; L205-Y481 HydrophobicContact CD1-CD2 4.29Å; L205-Y481 HydrophobicContact CD2-CD2 4.16Å; V220-Y481 HydrophobicContact CB-CE2 4.08Å; V220-Y481 HydrophobicContact CG1-CE2 4.01Å; V220-Y481 HydrophobicContact CG2-CE2 3.94Å; S477-Y481 WeakPolarHBondContact O-CB 3.3Å; S477-Y481 PolarHBondContact O-N 3.39Å; I478-Y481 WeakPolarHBondContact O-CB 3.32Å; I478-Y481 PolarHBondContact O-N 3.22Å; Y481-L484 PolarHBondContact O-N 2.84Å; Y481-R485 WeakPolarHBondContact O-CB 3.05Å; Y481-R485 PolarHBondContact O-N 2.71Å; Y481-L548 HydrophobicContact CD2-CD2 4.14Å; Y481-L548 HydrophobicContact CE1-CD2 3.93Å; Y481-L548 HydrophobicContact CE2-CD2 3.51Å; Y481-L548 HydrophobicContact CE2-CG 4.31Å; Y481-M549 HydrophobicContact CE2-CE 3.79Å; Y481-L552 HydrophobicContact CD2-CD1 4.1Å; Y481-L552 HydrophobicContact CE2-CD1 4.42Å
482	E	96.5	Very high	96.3	Very high	57 Å²	57	49.1 Å²	49.1	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-45	177.7	-179.9	61.5	179.2	0	0	112	Y38 I478 N480 L484 R485 T486	Y38-E482 HydrophobicContact CE2-CB 4.11Å; Y38-E482 HydrophobicContact CE2-CG 4.43Å; Y38-E482 PolarHBondContact OH-OE2 3.01Å; I478-E482 PolarHBondContact O-N 3.4Å; N480-E482 PolarHBondContact O-N 2.81Å; E482-L484 VanDerWaalsContact C-N 3.26Å; E482-L484 PolarHBondContact O-N 3.05Å; E482-R485 VanDerWaalsContact CD-NH2 3.32Å; E482-R485 PolarHBondContact O-N 2.96Å; E482-R485 VanDerWaalsContact O-N 3.14Å; E482-R485 IonicContact OE1-CZ 2.72Å; E482-R485 IonicContact OE1-NE 3.04Å; E482-R485 IonicContact OE1-NH2 3.73Å; E482-R485 PolarHBondContact OE1-NH2 3.47Å; E482-R485 IonicContact OE2-CZ 3.14Å; E482-R485 IonicContact OE2-NE 2.7Å; E482-R485 PolarHBondContact OE2-NE 3.25Å; E482-R485 IonicContact OE2-NH2 3.6Å; E482-R485 PolarHBondContact OE2-NH2 2.6Å; E482-T486 PolarHBondContact O-N 2.94Å; E482-T486 PolarHBondContact O-OG1 3.3Å; E482-T486 WeakPolarHBondContact OE1-CG2 3.37Å
483	K	96.3	Very high	96.6	Very high	102 Å²	102	45.1 Å²	45.1	44%	0.443	27%	0.268	S	S	.	.	H	α-helix	trans	-51.5	-48.4	176.9	176.9	-172.1	170.6	-172.8	0	110.8	A479 N480 T486 A487 N533	A479-K483 VanDerWaalsContact O-CB 3.28Å; A479-K483 WeakPolarHBondContact O-CB 3.3Å; A479-K483 PolarHBondContact O-N 2.88Å; N480-K483 PolarHBondContact O-N 3.28Å; K483-T486 PolarHBondContact O-OG1 3.36Å; K483-A487 WeakPolarHBondContact O-CB 3.37Å; K483-A487 PolarHBondContact O-N 3.22Å; K483-N533 PolarHBondContact NZ-OD1 3.5Å
484	L	97.4	Very high	96.8	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-46.2	178.5	-75.9	177.2	0	0	0	112.2	N480 Y481 E482 T486 A487 L535 V537 L548 A551 L552 Q555	N480-L484 PolarHBondContact O-N 3.48Å; Y481-L484 PolarHBondContact O-N 2.84Å; E482-L484 VanDerWaalsContact C-N 3.26Å; E482-L484 PolarHBondContact O-N 3.05Å; L484-T486 PolarHBondContact O-N 3.32Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 3.25Å; L484-L535 HydrophobicContact CD2-CD1 3.98Å; L484-V537 WeakPolarHBondContact O-CB 3.47Å; L484-V537 WeakPolarHBondContact O-CG2 3.13Å; L484-L548 HydrophobicContact CB-CD1 3.51Å; L484-A551 HydrophobicContact CD1-CB 4.23Å; L484-A551 HydrophobicContact CD2-CB 4.29Å; L484-L552 HydrophobicContact CD1-CD2 3.54Å; L484-L552 HydrophobicContact CD1-CG 3.86Å; L484-Q555 HydrophobicContact CD1-CG 4.37Å
485	R	97.1	Very high	97	Very high	41 Å²	41	51.1 Å²	51.1	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-55.4	-38.8	179.7	-171	-174.9	70.1	92.2	3.2	111.9	Y38 Y481 E482 R540 L548	Y38-R485 PolarHBondContact OH-NE 3.45Å; Y481-R485 WeakPolarHBondContact O-CB 3.05Å; Y481-R485 PolarHBondContact O-N 2.71Å; E482-R485 VanDerWaalsContact CD-NH2 3.32Å; E482-R485 PolarHBondContact O-N 2.96Å; E482-R485 VanDerWaalsContact O-N 3.14Å; E482-R485 IonicContact OE1-CZ 2.72Å; E482-R485 IonicContact OE1-NE 3.04Å; E482-R485 IonicContact OE1-NH2 3.73Å; E482-R485 PolarHBondContact OE1-NH2 3.47Å; E482-R485 IonicContact OE2-CZ 3.14Å; E482-R485 IonicContact OE2-NE 2.7Å; E482-R485 PolarHBondContact OE2-NE 3.25Å; E482-R485 IonicContact OE2-NH2 3.6Å; E482-R485 PolarHBondContact OE2-NH2 2.6Å; R485-R540 PolarHBondContact NH1-O 2.89Å; R485-R540 WeakPolarHBondContact O-CD 3.48Å; R485-R540 PolarHBondContact O-NH1 3Å; R485-L548 HydrophobicContact CB-CD1 4.15Å; R485-L548 HydrophobicContact CB-CD2 3.8Å; R485-L548 HydrophobicContact CG-CD2 4Å
486	T	96.4	Very high	97.2	Very high	66 Å²	66	47.9 Å²	47.9	41%	0.405	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.9	179.1	61.4	0	0	0	0	113.8	E482 K483 L484 N488	E482-T486 PolarHBondContact O-N 2.94Å; E482-T486 PolarHBondContact O-OG1 3.3Å; E482-T486 WeakPolarHBondContact OE1-CG2 3.37Å; K483-T486 PolarHBondContact O-OG1 3.36Å; L484-T486 PolarHBondContact O-N 3.32Å; T486-N488 PolarHBondContact O-N 3.37Å
487	A	97.7	Very high	97.4	Very high	17 Å²	17	45.9 Å²	45.9	14%	0.14	26%	0.262	C	S	.	.			trans	-64.9	122.9	-175.9	0	0	0	0	0	110.6	K483 L484 L535 V537 R540	K483-A487 WeakPolarHBondContact O-CB 3.37Å; K483-A487 PolarHBondContact O-N 3.22Å; L484-A487 WeakPolarHBondContact O-CB 3.43Å; L484-A487 PolarHBondContact O-N 3.25Å; A487-L535 CarbonylContact C-O 3.58Å; A487-L535 VanDerWaalsContact CB-O 3.24Å; A487-L535 WeakPolarHBondContact CB-O 3.43Å; A487-V537 HydrophobicContact CB-CG2 4.24Å; A487-V537 PolarHBondContact O-N 3.27Å; A487-R540 PolarHBondContact O-NH1 2.73Å; A487-R540 PolarHBondContact O-NH2 3.09Å; A487-R540 VanDerWaalsContact O-NH2 3.11Å
488	N	97.7	Very high	97.5	Very high	121 Å²	121	47.5 Å²	47.5	65%	0.647	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-128.5	36.5	-175.7	-165.9	51.3	0	0	0	111.1	T486 R540	T486-N488 PolarHBondContact O-N 3.37Å; N488-R540 PolarHBondContact OD1-NH2 3.11Å
489	G	97.8	Very high	97.6	Very high	16 Å²	16	49.2 Å²	49.2	17%	0.165	28%	0.279	C	S	.	.			trans	-74.4	-165.7	178.2	0	0	0	0	0	113.5	D534 L535 K536	G489-D534 CarbonylContact C-O 3.57Å; G489-D534 WeakPolarHBondContact CA-O 3.49Å; G489-D534 WeakPolarHBondContact CA-OD1 3.47Å; G489-L535 WeakPolarHBondContact CA-O 3.5Å; G489-L535 PolarHBondContact N-O 3.16Å; G489-K536 WeakPolarHBondContact O-CB 3.42Å
490	S	97.7	Very high	97.7	Very high	82 Å²	82	46.3 Å²	46.3	57%	0.573	26%	0.255	S	S	*	.	S	Bend	trans	-89.4	-18.8	-175.1	-44.8	0	0	0	0	113.8	P492 D534	S490-P492 WeakPolarHBondContact O-CD 3.15Å; S490-D534 WeakPolarHBondContact CB-OD2 3.38Å; S490-D534 PolarHBondContact N-O 3Å; S490-D534 VanDerWaalsContact N-O 3.16Å; S490-D534 PolarHBondContact N-OD1 2.56Å; S490-D534 PolarHBondContact N-OD2 3.35Å; S490-D534 PolarHBondContact OG-OD2 3.05Å
491	Y	98.1	Very high	97.8	Very high	67 Å²	67	45.6 Å²	45.6	26%	0.263	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.6	-168.2	-59.2	-61.8	0	0	0	113.4	R531 D534 L535 K536	Y491-R531 HydrophobicContact CD2-CB 4.22Å; Y491-R531 VanDerWaalsContact CD2-CD 3.48Å; Y491-R531 HydrophobicContact CD2-CG 4.45Å; Y491-R531 HydrophobicContact CG-CB 4.49Å; Y491-R531 PolarHBondContact OH-NH1 3.5Å; Y491-R531 VanDerWaalsContact OH-NH1 3.08Å; Y491-D534 HydrophobicContact CD2-CB 3.98Å; Y491-D534 HydrophobicContact CE2-CB 4.24Å; Y491-D534 WeakPolarHBondContact CE2-OD2 3.44Å; Y491-D534 PolarHBondContact N-O 2.75Å; Y491-D534 VanDerWaalsContact N-O 3.09Å; Y491-L535 CarbonylContact O-C 3.52Å; Y491-L535 WeakPolarHBondContact O-CA 3.33Å; Y491-K536 PolarHBondContact O-N 3.23Å
492	P	97.8	Very high	97.9	Very high	66 Å²	66	52 Å²	52	43%	0.429	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	140.4	172	-22.1	33.5	0	0	0	111.9	S490 A494 Q495 V496	S490-P492 WeakPolarHBondContact O-CD 3.15Å; P492-A494 VanDerWaalsContact C-N 3.27Å; P492-A494 PolarHBondContact O-N 2.85Å; P492-Q495 WeakPolarHBondContact O-CB 3.42Å; P492-Q495 PolarHBondContact O-N 2.71Å; P492-V496 PolarHBondContact O-N 3.22Å
493	I	97.7	Very high	98	Very high	5 Å²	5	50 Å²	50	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-52.7	-45.1	-179.5	-64	150.6	0	0	0	111.8	Q495 V496 R497 V537 D547 A551 L554	I493-Q495 VanDerWaalsContact C-N 3.25Å; I493-Q495 PolarHBondContact O-N 2.97Å; I493-V496 PolarHBondContact O-N 3.47Å; I493-R497 WeakPolarHBondContact O-CB 3.46Å; I493-R497 PolarHBondContact O-N 2.88Å; I493-V537 HydrophobicContact CD1-CG2 3.83Å; I493-D547 WeakPolarHBondContact CD1-O 3.2Å; I493-D547 WeakPolarHBondContact CD1-OD1 3.46Å; I493-A551 HydrophobicContact CD1-CB 3.56Å; I493-A551 HydrophobicContact CG1-CB 3.99Å; I493-L554 HydrophobicContact CG2-CB 4.17Å; I493-L554 HydrophobicContact CG2-CD2 3.9Å
494	A	97.7	Very high	98.1	Very high	69 Å²	69	45.1 Å²	45.1	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-58.4	-37.4	-178.9	0	0	0	0	0	112.5	P492 L498	P492-A494 VanDerWaalsContact C-N 3.27Å; P492-A494 PolarHBondContact O-N 2.85Å; A494-L498 WeakPolarHBondContact O-CB 3.24Å; A494-L498 PolarHBondContact O-N 3.31Å
495	Q	98.2	Very high	98.1	Very high	91 Å²	91	47.4 Å²	47.4	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-69.2	-50.5	178.3	-177.2	58.3	50.9	0	0	110.8	P492 I493 R497 L498 D499	P492-Q495 WeakPolarHBondContact O-CB 3.42Å; P492-Q495 PolarHBondContact O-N 2.71Å; I493-Q495 VanDerWaalsContact C-N 3.25Å; I493-Q495 PolarHBondContact O-N 2.97Å; Q495-R497 VanDerWaalsContact C-N 3.29Å; Q495-R497 PolarHBondContact O-N 3.47Å; Q495-L498 PolarHBondContact O-N 3Å; Q495-L498 VanDerWaalsContact O-N 3.12Å; Q495-D499 VanDerWaalsContact NE2-CG 3.33Å; Q495-D499 PolarHBondContact NE2-OD1 2.98Å; Q495-D499 PolarHBondContact NE2-OD2 3.1Å; Q495-D499 VanDerWaalsContact NE2-OD2 3.16Å; Q495-D499 VanDerWaalsContact O-CG 3.27Å; Q495-D499 PolarHBondContact O-N 3.09Å
496	V	98.5	Very high	98.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-39.3	-179.6	-176.5	0	0	0	0	111.2	P492 I493 D499 M500 R531 M532 L535 L554	P492-V496 PolarHBondContact O-N 3.22Å; I493-V496 PolarHBondContact O-N 3.47Å; V496-D499 PolarHBondContact O-N 2.8Å; V496-M500 PolarHBondContact O-N 2.74Å; V496-R531 HydrophobicContact CG1-CB 4.02Å; V496-R531 HydrophobicContact CG2-CB 3.93Å; V496-M532 HydrophobicContact CG1-SD 4.28Å; V496-L535 HydrophobicContact CB-CD2 4.31Å; V496-L535 HydrophobicContact CG1-CD2 4.45Å; V496-L535 HydrophobicContact CG2-CD2 3.83Å; V496-L554 HydrophobicContact CB-CD2 3.87Å; V496-L554 HydrophobicContact CG1-CD2 3.92Å
497	R	98.8	Very high	98.3	Very high	40 Å²	40	49.1 Å²	49.1	15%	0.151	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-46.2	174.3	-171.5	-175.1	-63	150.1	-1.7	111.6	I493 Q495 D499 M500 Q501 E550 L554	I493-R497 WeakPolarHBondContact O-CB 3.46Å; I493-R497 PolarHBondContact O-N 2.88Å; Q495-R497 VanDerWaalsContact C-N 3.29Å; Q495-R497 PolarHBondContact O-N 3.47Å; R497-D499 VanDerWaalsContact C-N 3.32Å; R497-D499 PolarHBondContact O-N 3.48Å; R497-M500 HydrophobicContact CG-CE 4.17Å; R497-M500 PolarHBondContact O-N 2.79Å; R497-Q501 HydrophobicContact CG-CG 4.44Å; R497-Q501 WeakPolarHBondContact O-CB 3.45Å; R497-Q501 VanDerWaalsContact O-CG 3.24Å; R497-Q501 WeakPolarHBondContact O-CG 3.48Å; R497-Q501 PolarHBondContact O-N 2.87Å; R497-E550 IonicContact CZ-OE2 3.61Å; R497-E550 VanDerWaalsContact CZ-OE2 3.3Å; R497-E550 IonicContact NH1-OE2 2.75Å; R497-E550 PolarHBondContact NH1-OE2 3.41Å; R497-E550 PolarHBondContact NH2-O 2.89Å; R497-E550 IonicContact NH2-OE2 3.41Å; R497-E550 PolarHBondContact NH2-OE2 2.91Å; R497-L554 HydrophobicContact CB-CD1 3.96Å; R497-L554 HydrophobicContact CG-CD1 4.34Å
498	L	98.8	Very high	98.3	Very high	44 Å²	44	48.3 Å²	48.3	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-39.8	179.2	-178.7	61	0	0	0	111.6	F247 A494 Q495 Q501 R502	F247-L498 HydrophobicContact CD2-CD1 3.72Å; F247-L498 HydrophobicContact CE2-CD1 3.64Å; A494-L498 WeakPolarHBondContact O-CB 3.24Å; A494-L498 PolarHBondContact O-N 3.31Å; Q495-L498 PolarHBondContact O-N 3Å; Q495-L498 VanDerWaalsContact O-N 3.12Å; L498-Q501 PolarHBondContact O-N 3.42Å; L498-R502 HydrophobicContact CD1-CG 4.14Å; L498-R502 HydrophobicContact CG-CG 4.47Å; L498-R502 WeakPolarHBondContact O-CB 3.4Å; L498-R502 WeakPolarHBondContact O-CG 3.35Å; L498-R502 PolarHBondContact O-N 2.99Å
499	D	98.6	Very high	98.2	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-45	178.6	-66.3	-27.2	0	0	0	111.5	Q495 V496 R497 T503 L527	Q495-D499 VanDerWaalsContact NE2-CG 3.33Å; Q495-D499 PolarHBondContact NE2-OD1 2.98Å; Q495-D499 PolarHBondContact NE2-OD2 3.1Å; Q495-D499 VanDerWaalsContact NE2-OD2 3.16Å; Q495-D499 VanDerWaalsContact O-CG 3.27Å; Q495-D499 PolarHBondContact O-N 3.09Å; V496-D499 PolarHBondContact O-N 2.8Å; R497-D499 VanDerWaalsContact C-N 3.32Å; R497-D499 PolarHBondContact O-N 3.48Å; D499-T503 WeakPolarHBondContact O-CB 3.13Å; D499-T503 PolarHBondContact O-N 2.85Å; D499-T503 PolarHBondContact O-OG1 3.15Å; D499-L527 HydrophobicContact CB-CD1 4.13Å; D499-L527 HydrophobicContact CB-CD2 3.77Å
500	M	98.8	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-49.9	170.8	170.2	-165.6	69.7	0	0	111.1	V496 R497 R502 T503 M504 M524 L554 L557 M558 A561	V496-M500 PolarHBondContact O-N 2.74Å; R497-M500 HydrophobicContact CG-CE 4.17Å; R497-M500 PolarHBondContact O-N 2.79Å; M500-R502 PolarHBondContact O-N 3.07Å; M500-T503 WeakPolarHBondContact O-CB 3.38Å; M500-T503 PolarHBondContact O-N 3.04Å; M500-T503 VanDerWaalsContact O-N 3.16Å; M500-M504 PolarHBondContact O-N 3.41Å; M500-M524 HydrophobicContact CB-CE 4.49Å; M500-M524 HydrophobicContact CB-SD 4.44Å; M500-M524 HydrophobicContact CG-CE 3.87Å; M500-M524 HydrophobicContact CG-SD 4.11Å; M500-L554 HydrophobicContact CE-CD1 4.42Å; M500-L557 HydrophobicContact CE-CB 3.76Å; M500-L557 HydrophobicContact CE-CD1 4.04Å; M500-L557 HydrophobicContact CE-CG 4.38Å; M500-L557 HydrophobicContact SD-CB 3.81Å; M500-M558 HydrophobicContact CB-SD 3.8Å; M500-M558 HydrophobicContact CG-SD 3.79Å; M500-M558 HydrophobicContact SD-CG 4.11Å; M500-M558 HydrophobicContact SD-SD 3.62Å; M500-M558 VanDerWaalsContact SD-SD 3.62Å; M500-A561 HydrophobicContact CG-CB 4.1Å; M500-A561 HydrophobicContact SD-CB 4Å
501	Q	98.8	Very high	98.2	Very high	22 Å²	22	41.1 Å²	41.1	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-43.7	-176.5	-80.6	175.6	-15.4	0	0	113	R244 T245 F247 R497 L498 Q505	R244-Q501 WeakPolarHBondContact O-CG 2.97Å; R244-Q501 PolarHBondContact O-NE2 3.42Å; T245-Q501 WeakPolarHBondContact O-CA 3.33Å; F247-Q501 HydrophobicContact CB-CB 4.13Å; F247-Q501 PolarHBondContact N-O 3.09Å; R497-Q501 HydrophobicContact CG-CG 4.44Å; R497-Q501 WeakPolarHBondContact O-CB 3.45Å; R497-Q501 VanDerWaalsContact O-CG 3.24Å; R497-Q501 WeakPolarHBondContact O-CG 3.48Å; R497-Q501 PolarHBondContact O-N 2.87Å; L498-Q501 PolarHBondContact O-N 3.42Å; Q501-Q505 VanDerWaalsContact O-CB 3.3Å; Q501-Q505 WeakPolarHBondContact O-CB 3.46Å; Q501-Q505 PolarHBondContact O-N 3.2Å
502	R	98.6	Very high	98.2	Very high	136 Å²	136	38 Å²	38	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-67.4	-40.4	175.8	-73.2	-179.7	173.4	-171.2	0.1	111.4	F247 L498 M500 Q505 E506	F247-R502 HydrophobicContact CD2-CG 4.27Å; L498-R502 HydrophobicContact CD1-CG 4.14Å; L498-R502 HydrophobicContact CG-CG 4.47Å; L498-R502 WeakPolarHBondContact O-CB 3.4Å; L498-R502 WeakPolarHBondContact O-CG 3.35Å; L498-R502 PolarHBondContact O-N 2.99Å; M500-R502 PolarHBondContact O-N 3.07Å; R502-Q505 PolarHBondContact O-N 3.31Å; R502-E506 WeakPolarHBondContact O-CB 3.29Å; R502-E506 PolarHBondContact O-N 3.33Å
503	T	98.7	Very high	98.3	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-49.8	175.9	-57.1	0	0	0	0	110.8	D499 M500 Q505 E506 Y507 K523 M524	D499-T503 WeakPolarHBondContact O-CB 3.13Å; D499-T503 PolarHBondContact O-N 2.85Å; D499-T503 PolarHBondContact O-OG1 3.15Å; M500-T503 WeakPolarHBondContact O-CB 3.38Å; M500-T503 PolarHBondContact O-N 3.04Å; M500-T503 VanDerWaalsContact O-N 3.16Å; T503-Q505 VanDerWaalsContact C-N 3.34Å; T503-Q505 PolarHBondContact O-N 3.19Å; T503-E506 PolarHBondContact O-N 2.99Å; T503-Y507 HydrophobicContact CG2-CD2 3.73Å; T503-Y507 HydrophobicContact CG2-CE2 4.33Å; T503-Y507 WeakPolarHBondContact O-CB 3.27Å; T503-Y507 WeakPolarHBondContact O-CD2 3.39Å; T503-Y507 PolarHBondContact O-N 3.17Å; T503-K523 HydrophobicContact CG2-CB 3.81Å; T503-K523 HydrophobicContact CG2-CD 4.48Å; T503-M524 HydrophobicContact CG2-CG 3.76Å; T503-M524 HydrophobicContact CG2-SD 3.83Å
504	M	98.8	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.1	-40.2	177.5	-67.5	-58.1	-66.5	0	0	112.5	T245 Y246 M500 E506 A508 M524 A561 T564 I565	T245-M504 WeakPolarHBondContact O-CB 3.48Å; T245-M504 WeakPolarHBondContact O-CG 3.35Å; Y246-M504 HydrophobicContact CD1-CB 4Å; Y246-M504 HydrophobicContact CD2-CB 4.35Å; Y246-M504 HydrophobicContact CE1-CB 4.03Å; Y246-M504 WeakPolarHBondContact CE1-O 3.26Å; Y246-M504 HydrophobicContact CE2-CB 4.36Å; Y246-M504 HydrophobicContact CE2-CE 4.07Å; Y246-M504 HydrophobicContact CG-CB 4.18Å; M500-M504 PolarHBondContact O-N 3.41Å; M504-E506 PolarHBondContact O-N 2.82Å; M504-A508 HydrophobicContact CE-CB 3.94Å; M504-A508 CarbonylContact O-C 3.51Å; M504-A508 WeakPolarHBondContact O-CA 3.29Å; M504-A508 WeakPolarHBondContact O-CB 3.49Å; M504-A508 PolarHBondContact O-N 2.83Å; M504-M524 HydrophobicContact SD-CG 4.37Å; M504-M524 HydrophobicContact SD-SD 4.37Å; M504-A561 HydrophobicContact CE-CB 4.49Å; M504-A561 HydrophobicContact CG-CB 4.05Å; M504-A561 HydrophobicContact SD-CB 3.95Å; M504-T564 HydrophobicContact CE-CG2 3.63Å; M504-I565 HydrophobicContact CE-CB 4.27Å; M504-I565 HydrophobicContact SD-CB 4.1Å; M504-I565 HydrophobicContact SD-CD1 4.2Å
505	Q	98.3	Very high	98.3	Very high	52 Å²	52	38.5 Å²	38.5	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-37.7	179.6	-167.1	69.5	60.5	0	0	113.1	F247 Q501 R502 T503	F247-Q505 HydrophobicContact CB-CB 3.91Å; F247-Q505 HydrophobicContact CB-CG 4.09Å; Q501-Q505 VanDerWaalsContact O-CB 3.3Å; Q501-Q505 WeakPolarHBondContact O-CB 3.46Å; Q501-Q505 PolarHBondContact O-N 3.2Å; R502-Q505 PolarHBondContact O-N 3.31Å; T503-Q505 VanDerWaalsContact C-N 3.34Å; T503-Q505 PolarHBondContact O-N 3.19Å
506	E	97.6	Very high	98.3	Very high	120 Å²	120	36.4 Å²	36.4	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-81.3	-45.4	-178.9	-172.2	-179.5	160.2	0	0	111.8	R502 T503 M504	R502-E506 WeakPolarHBondContact O-CB 3.29Å; R502-E506 PolarHBondContact O-N 3.33Å; T503-E506 PolarHBondContact O-N 2.99Å; M504-E506 PolarHBondContact O-N 2.82Å
507	Y	98.5	Very high	98.3	Very high	24 Å²	24	36.4 Å²	36.4	9%	0.094	19%	0.186	C	C	.	.	H	α-helix	trans	-99.8	-14.4	-167.9	-61	-75.4	0	0	0	114.9	T503 T516 L517 E519 K523	T503-Y507 HydrophobicContact CG2-CD2 3.73Å; T503-Y507 HydrophobicContact CG2-CE2 4.33Å; T503-Y507 WeakPolarHBondContact O-CB 3.27Å; T503-Y507 WeakPolarHBondContact O-CD2 3.39Å; T503-Y507 PolarHBondContact O-N 3.17Å; Y507-T516 HydrophobicContact CD1-CG2 3.7Å; Y507-T516 WeakPolarHBondContact CD1-O 3.37Å; Y507-T516 HydrophobicContact CG-CG2 4.47Å; Y507-L517 WeakPolarHBondContact O-CD2 3.32Å; Y507-E519 HydrophobicContact CD1-CB 4.41Å; Y507-E519 HydrophobicContact CE1-CB 4.21Å; Y507-E519 HydrophobicContact CE1-CG 3.91Å; Y507-K523 HydrophobicContact CD2-CD 4.32Å; Y507-K523 HydrophobicContact CE2-CD 3.59Å; Y507-K523 PolarHBondContact OH-NZ 2.83Å
508	A	98.4	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-130.8	43.6	-178.1	0	0	0	0	0	112.5	Y246 M504 I565	Y246-A508 WeakPolarHBondContact CE1-O 3.49Å; Y246-A508 PolarHBondContact OH-O 3.34Å; M504-A508 HydrophobicContact CE-CB 3.94Å; M504-A508 CarbonylContact O-C 3.51Å; M504-A508 WeakPolarHBondContact O-CA 3.29Å; M504-A508 WeakPolarHBondContact O-CB 3.49Å; M504-A508 PolarHBondContact O-N 2.83Å; A508-I565 HydrophobicContact CB-CD1 4.12Å; A508-I565 HydrophobicContact CB-CG1 4.21Å
509	A	96.7	Very high	98.3	Very high	24 Å²	24	42.5 Å²	42.5	20%	0.198	21%	0.213	C	C	.	.	S	Bend	trans	-77.2	-159.5	-178.7	0	0	0	0	0	113.6	R512	A509-R512 PolarHBondContact O-NE 3.13Å
510	V	97.6	Very high	98.3	Very high	14 Å²	14	40.4 Å²	40.4	9%	0.085	20%	0.202	C	C	.	.	S	Bend	trans	-61.9	-52.7	178.7	174	0	0	0	0	111.7	F278 R328 P387	F278-V510 HydrophobicContact CB-CG2 3.99Å; F278-V510 HydrophobicContact CD1-CG2 3.68Å; F278-V510 HydrophobicContact CD2-CG2 3.87Å; F278-V510 HydrophobicContact CE1-CG2 4.1Å; F278-V510 HydrophobicContact CE2-CG2 4.3Å; F278-V510 HydrophobicContact CG-CG2 3.56Å; F278-V510 HydrophobicContact CZ-CG2 4.42Å; R328-V510 HydrophobicContact CG-CG1 3.82Å; P387-V510 HydrophobicContact CB-CG2 4.13Å
511	F	97.7	Very high	98.3	Very high	30 Å²	30	41 Å²	41	13%	0.132	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.5	170.8	-73.8	-75.9	0	0	0	109.3	R328 T331 I332 A579 E581	R328-F511 HydrophobicContact CB-CE2 4.18Å; R328-F511 HydrophobicContact CB-CZ 3.78Å; R328-F511 HydrophobicContact CG-CE1 4.06Å; R328-F511 HydrophobicContact CG-CE2 4.12Å; R328-F511 HydrophobicContact CG-CZ 3.67Å; T331-F511 HydrophobicContact CG2-CD2 3.7Å; T331-F511 HydrophobicContact CG2-CE2 3.97Å; I332-F511 HydrophobicContact CD1-CE2 4.4Å; I332-F511 HydrophobicContact CD1-CZ 3.86Å; I332-F511 HydrophobicContact CG1-CE2 3.78Å; I332-F511 HydrophobicContact CG1-CZ 3.72Å; F511-A579 HydrophobicContact CD1-CB 4.13Å; F511-A579 HydrophobicContact CE1-CB 4.37Å; F511-E581 HydrophobicContact CB-CG 4.15Å; F511-E581 WeakPolarHBondContact CB-OE2 3.33Å; F511-E581 HydrophobicContact CD1-CG 3.79Å; F511-E581 HydrophobicContact CG-CG 4.32Å
512	R	98.4	Very high	98.3	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.4	-174.5	-55.2	171	-173.4	177	6.4	108.9	E274 A509 L517 H578 A579 R580 E581	E274-R512 PolarHBondContact O-NH1 2.93Å; E274-R512 PolarHBondContact O-NH2 2.9Å; A509-R512 PolarHBondContact O-NE 3.13Å; R512-L517 HydrophobicContact CB-CD1 3.78Å; R512-L517 HydrophobicContact CB-CD2 4.42Å; R512-L517 HydrophobicContact CB-CG 4.09Å; R512-L517 HydrophobicContact CG-CD2 4.46Å; R512-H578 PolarHBondContact NH1-ND1 2.96Å; R512-A579 PolarHBondContact N-O 3.37Å; R512-R580 CarbonylContact O-C 3.56Å; R512-R580 VanDerWaalsContact O-CA 3.29Å; R512-R580 WeakPolarHBondContact O-CA 3.49Å; R512-E581 PolarHBondContact O-N 3.39Å
513	D	98.1	Very high	98.3	Very high	40 Å²	40	42.1 Å²	42.1	21%	0.214	21%	0.214	C	C	.	.			trans	-142.4	162.4	168.8	65.6	68.5	0	0	0	109.8	P515 T516 L517	D513-P515 WeakPolarHBondContact OD1-CD 3.46Å; D513-T516 VanDerWaalsContact CG-OG1 3.25Å; D513-T516 PolarHBondContact O-N 2.89Å; D513-T516 VanDerWaalsContact OD1-CB 3.25Å; D513-T516 WeakPolarHBondContact OD1-CB 3.46Å; D513-T516 PolarHBondContact OD1-N 3.28Å; D513-T516 PolarHBondContact OD1-OG1 3.28Å; D513-T516 WeakPolarHBondContact OD2-CB 3.29Å; D513-T516 PolarHBondContact OD2-OG1 3.26Å; D513-L517 WeakPolarHBondContact O-CB 3.47Å; D513-L517 WeakPolarHBondContact O-CG 3.46Å; D513-L517 PolarHBondContact O-N 3.35Å
514	G	98.2	Very high	98.3	Very high	11 Å²	11	41.4 Å²	41.4	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-55.8	-54.7	-178.6	0	0	0	0	0	113.8	T516 L517 K518 D582	G514-T516 PolarHBondContact O-N 3.04Å; G514-L517 PolarHBondContact O-N 3.24Å; G514-K518 VanDerWaalsContact O-CB 3.31Å; G514-K518 WeakPolarHBondContact O-CB 3.45Å; G514-K518 PolarHBondContact O-N 2.94Å; G514-D582 WeakPolarHBondContact CA-OD2 3.46Å; G514-D582 PolarHBondContact N-OD2 3.36Å
515	P	98.5	Very high	98.3	Very high	100 Å²	100	44.8 Å²	44.8	65%	0.649	22%	0.223	S	C	*	.	H	α-helix	trans	-53.2	-48.5	177.1	-28.5	34.1	0	0	0	114.3	D513 K518 E519	D513-P515 WeakPolarHBondContact OD1-CD 3.46Å; P515-K518 PolarHBondContact O-N 3.4Å; P515-E519 PolarHBondContact O-N 2.79Å
516	T	98.2	Very high	98.3	Very high	47 Å²	47	46.3 Å²	46.3	29%	0.288	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-47.4	-180	-62.7	0	0	0	0	110.6	Y507 D513 G514 K518 E519 G520	Y507-T516 HydrophobicContact CD1-CG2 3.7Å; Y507-T516 WeakPolarHBondContact CD1-O 3.37Å; Y507-T516 HydrophobicContact CG-CG2 4.47Å; D513-T516 VanDerWaalsContact CG-OG1 3.25Å; D513-T516 PolarHBondContact O-N 2.89Å; D513-T516 VanDerWaalsContact OD1-CB 3.25Å; D513-T516 WeakPolarHBondContact OD1-CB 3.46Å; D513-T516 PolarHBondContact OD1-N 3.28Å; D513-T516 PolarHBondContact OD1-OG1 3.28Å; D513-T516 WeakPolarHBondContact OD2-CB 3.29Å; D513-T516 PolarHBondContact OD2-OG1 3.26Å; G514-T516 PolarHBondContact O-N 3.04Å; T516-K518 VanDerWaalsContact C-N 3.35Å; T516-K518 PolarHBondContact O-N 3.05Å; T516-E519 PolarHBondContact O-N 3.29Å; T516-G520 PolarHBondContact O-N 3.09Å
517	L	98.8	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-38.9	178.4	-77.3	167.1	0	0	0	112.7	Y507 R512 D513 G514 G520 C521 I565 A568 E569	Y507-L517 WeakPolarHBondContact O-CD2 3.32Å; R512-L517 HydrophobicContact CB-CD1 3.78Å; R512-L517 HydrophobicContact CB-CD2 4.42Å; R512-L517 HydrophobicContact CB-CG 4.09Å; R512-L517 HydrophobicContact CG-CD2 4.46Å; D513-L517 WeakPolarHBondContact O-CB 3.47Å; D513-L517 WeakPolarHBondContact O-CG 3.46Å; D513-L517 PolarHBondContact O-N 3.35Å; G514-L517 PolarHBondContact O-N 3.24Å; L517-G520 PolarHBondContact O-N 3.16Å; L517-C521 PolarHBondContact O-N 2.94Å; L517-C521 PolarHBondContact O-SG 2.87Å; L517-I565 HydrophobicContact CD2-CG1 4.05Å; L517-A568 HydrophobicContact CD1-CB 4.36Å; L517-A568 WeakPolarHBondContact CD1-O 3.38Å; L517-A568 HydrophobicContact CD2-CB 3.78Å; L517-E569 HydrophobicContact CB-CB 4.06Å; L517-E569 HydrophobicContact CB-CG 4.13Å
518	K	98.7	Very high	98.3	Very high	142 Å²	142	41.3 Å²	41.3	62%	0.617	21%	0.21	S	C	*	.	H	α-helix	trans	-66.2	-41.5	179.1	-169.7	174.2	-177	178	0	111.9	G514 P515 T516 C521 K522	G514-K518 VanDerWaalsContact O-CB 3.31Å; G514-K518 WeakPolarHBondContact O-CB 3.45Å; G514-K518 PolarHBondContact O-N 2.94Å; P515-K518 PolarHBondContact O-N 3.4Å; T516-K518 VanDerWaalsContact C-N 3.35Å; T516-K518 PolarHBondContact O-N 3.05Å; K518-C521 PolarHBondContact O-N 3.45Å; K518-K522 PolarHBondContact O-N 3.11Å
519	E	98.7	Very high	98.2	Very high	71 Å²	71	44.6 Å²	44.6	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-42	173	-178.4	58.7	-161.7	0	0	111.3	Y507 P515 T516 C521 K522 K523	Y507-E519 HydrophobicContact CD1-CB 4.41Å; Y507-E519 HydrophobicContact CE1-CB 4.21Å; Y507-E519 HydrophobicContact CE1-CG 3.91Å; P515-E519 PolarHBondContact O-N 2.79Å; T516-E519 PolarHBondContact O-N 3.29Å; E519-C521 PolarHBondContact O-N 3.45Å; E519-K522 PolarHBondContact O-N 3.28Å; E519-K523 HydrophobicContact CG-CD 4.48Å; E519-K523 WeakPolarHBondContact O-CG 3.44Å; E519-K523 PolarHBondContact O-N 3.47Å; E519-K523 VanDerWaalsContact OE1-CE 3.26Å; E519-K523 WeakPolarHBondContact OE1-CE 3.44Å
520	G	98.8	Very high	98.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-44	173.8	0	0	0	0	0	113.2	T516 L517 K523 M524	T516-G520 PolarHBondContact O-N 3.09Å; L517-G520 PolarHBondContact O-N 3.16Å; G520-K523 PolarHBondContact O-N 3.13Å; G520-M524 WeakPolarHBondContact O-CB 3.31Å; G520-M524 WeakPolarHBondContact O-CG 3.26Å; G520-M524 PolarHBondContact O-N 3.38Å
521	C	98.8	Very high	98.1	Very high	13 Å²	13	49 Å²	49	9%	0.088	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-48.3	174.6	-70.9	0	0	0	0	111.1	L517 K518 E519 K523 M524 Y525	L517-C521 PolarHBondContact O-N 2.94Å; L517-C521 PolarHBondContact O-SG 2.87Å; K518-C521 PolarHBondContact O-N 3.45Å; E519-C521 PolarHBondContact O-N 3.45Å; C521-K523 PolarHBondContact O-N 2.96Å; C521-M524 PolarHBondContact O-N 2.89Å; C521-Y525 WeakPolarHBondContact O-CD2 3.08Å; C521-Y525 PolarHBondContact O-N 3.39Å
522	K	98.7	Very high	98.1	Very high	114 Å²	114	48.2 Å²	48.2	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-50.3	177.7	-178.5	-173.4	165.5	-137	0	111	K518 E519 M524 Y525 D526	K518-K522 PolarHBondContact O-N 3.11Å; E519-K522 PolarHBondContact O-N 3.28Å; K522-M524 VanDerWaalsContact C-N 3.33Å; K522-M524 PolarHBondContact O-N 3.44Å; K522-Y525 PolarHBondContact O-N 2.95Å; K522-D526 WeakPolarHBondContact O-CB 3.38Å; K522-D526 VanDerWaalsContact O-CG 3.24Å; K522-D526 PolarHBondContact O-N 2.78Å
523	K	98.6	Very high	97.9	Very high	67 Å²	67	53.3 Å²	53.3	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-42.1	177.3	-74.5	-176.7	173.7	-166.9	0	112.7	T503 Y507 E519 G520 C521 D526 L527	T503-K523 HydrophobicContact CG2-CB 3.81Å; T503-K523 HydrophobicContact CG2-CD 4.48Å; Y507-K523 HydrophobicContact CD2-CD 4.32Å; Y507-K523 HydrophobicContact CE2-CD 3.59Å; Y507-K523 PolarHBondContact OH-NZ 2.83Å; E519-K523 HydrophobicContact CG-CD 4.48Å; E519-K523 WeakPolarHBondContact O-CG 3.44Å; E519-K523 PolarHBondContact O-N 3.47Å; E519-K523 VanDerWaalsContact OE1-CE 3.26Å; E519-K523 WeakPolarHBondContact OE1-CE 3.44Å; G520-K523 PolarHBondContact O-N 3.13Å; C521-K523 PolarHBondContact O-N 2.96Å; K523-D526 PolarHBondContact O-N 2.73Å; K523-L527 WeakPolarHBondContact O-CB 3.35Å; K523-L527 VanDerWaalsContact O-CG 3.29Å; K523-L527 WeakPolarHBondContact O-CG 3.46Å; K523-L527 PolarHBondContact O-N 2.98Å
524	M	98.7	Very high	97.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-41.6	177.5	-77.3	-57	-53.1	0	0	112.4	M500 T503 M504 G520 C521 K522 L527 Y528 M558 A561 L562 I565	M500-M524 HydrophobicContact CB-CE 4.49Å; M500-M524 HydrophobicContact CB-SD 4.44Å; M500-M524 HydrophobicContact CG-CE 3.87Å; M500-M524 HydrophobicContact CG-SD 4.11Å; T503-M524 HydrophobicContact CG2-CG 3.76Å; T503-M524 HydrophobicContact CG2-SD 3.83Å; M504-M524 HydrophobicContact SD-CG 4.37Å; M504-M524 HydrophobicContact SD-SD 4.37Å; G520-M524 WeakPolarHBondContact O-CB 3.31Å; G520-M524 WeakPolarHBondContact O-CG 3.26Å; G520-M524 PolarHBondContact O-N 3.38Å; C521-M524 PolarHBondContact O-N 2.89Å; K522-M524 VanDerWaalsContact C-N 3.33Å; K522-M524 PolarHBondContact O-N 3.44Å; M524-L527 PolarHBondContact O-N 3.26Å; M524-L527 HydrophobicContact SD-CD1 4.21Å; M524-Y528 WeakPolarHBondContact O-CB 3.42Å; M524-Y528 PolarHBondContact O-N 2.87Å; M524-M558 HydrophobicContact CE-CE 3.67Å; M524-M558 HydrophobicContact CE-SD 3.78Å; M524-A561 HydrophobicContact CE-CB 3.61Å; M524-L562 HydrophobicContact CB-CD2 3.65Å; M524-L562 HydrophobicContact CB-CG 4.32Å; M524-L562 HydrophobicContact CE-CG 4.28Å; M524-I565 HydrophobicContact CB-CG2 4.36Å; M524-I565 HydrophobicContact CG-CG2 4.16Å
525	Y	98.7	Very high	97.8	Very high	70 Å²	70	53.7 Å²	53.7	28%	0.275	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-43.9	173.5	-80.2	-57.5	0	0	0	111.8	C521 K522 L527 Y528 A529 L562 V566 G621 V623	C521-Y525 WeakPolarHBondContact O-CD2 3.08Å; C521-Y525 PolarHBondContact O-N 3.39Å; K522-Y525 PolarHBondContact O-N 2.95Å; Y525-L527 VanDerWaalsContact C-N 3.35Å; Y525-L527 PolarHBondContact O-N 2.78Å; Y525-Y528 PolarHBondContact O-N 3.17Å; Y525-A529 WeakPolarHBondContact O-CB 3.48Å; Y525-A529 PolarHBondContact O-N 2.92Å; Y525-L562 HydrophobicContact CD1-CD2 3.75Å; Y525-L562 HydrophobicContact CD2-CD2 4.48Å; Y525-L562 HydrophobicContact CE1-CD2 3.79Å; Y525-L562 HydrophobicContact CG-CD2 4.09Å; Y525-V566 HydrophobicContact CE2-CG2 3.95Å; Y525-V566 WeakPolarHBondContact OH-CG2 3.33Å; Y525-G621 WeakPolarHBondContact CE1-O 3.42Å; Y525-V623 WeakPolarHBondContact OH-CB 3.32Å; Y525-V623 PolarHBondContact OH-N 2.87Å
526	D	98.2	Very high	97.8	Very high	85 Å²	85	52.9 Å²	52.9	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.9	-71.4	-18	0	0	0	110.8	K522 K523 S530	K522-D526 WeakPolarHBondContact O-CB 3.38Å; K522-D526 VanDerWaalsContact O-CG 3.24Å; K522-D526 PolarHBondContact O-N 2.78Å; K523-D526 PolarHBondContact O-N 2.73Å; D526-S530 WeakPolarHBondContact O-CB 3.37Å; D526-S530 PolarHBondContact O-N 3.41Å; D526-S530 PolarHBondContact O-OG 2.91Å
527	L	97.5	Very high	97.8	Very high	19 Å²	19	50.7 Å²	50.7	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-46.6	173.8	-78	170.8	0	0	0	111.4	D499 K523 M524 Y525 R531 M558	D499-L527 HydrophobicContact CB-CD1 4.13Å; D499-L527 HydrophobicContact CB-CD2 3.77Å; K523-L527 WeakPolarHBondContact O-CB 3.35Å; K523-L527 VanDerWaalsContact O-CG 3.29Å; K523-L527 WeakPolarHBondContact O-CG 3.46Å; K523-L527 PolarHBondContact O-N 2.98Å; M524-L527 PolarHBondContact O-N 3.26Å; M524-L527 HydrophobicContact SD-CD1 4.21Å; Y525-L527 VanDerWaalsContact C-N 3.35Å; Y525-L527 PolarHBondContact O-N 2.78Å; L527-R531 HydrophobicContact CD2-CG 4.09Å; L527-R531 VanDerWaalsContact O-CB 3.24Å; L527-R531 WeakPolarHBondContact O-CB 3.34Å; L527-R531 WeakPolarHBondContact O-CG 3.39Å; L527-R531 PolarHBondContact O-N 3.45Å; L527-M558 HydrophobicContact CB-CE 4.15Å
528	Y	98.3	Very high	97.8	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.078	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-52.3	179.3	-164.6	-84.6	0	0	0	111.6	M524 Y525 M532 M558 L559 L562 V618	M524-Y528 WeakPolarHBondContact O-CB 3.42Å; M524-Y528 PolarHBondContact O-N 2.87Å; Y525-Y528 PolarHBondContact O-N 3.17Å; Y528-M532 HydrophobicContact CD2-CG 4.07Å; Y528-M532 HydrophobicContact CE2-CG 4.45Å; Y528-M532 HydrophobicContact CG-CG 4.28Å; Y528-M532 VanDerWaalsContact O-CB 3.29Å; Y528-M532 WeakPolarHBondContact O-CB 3.16Å; Y528-M532 PolarHBondContact O-N 3.12Å; Y528-M558 HydrophobicContact CD2-CB 4.09Å; Y528-M558 HydrophobicContact CD2-CE 3.84Å; Y528-M558 HydrophobicContact CE2-CB 4.25Å; Y528-M558 HydrophobicContact CG-CE 4.34Å; Y528-L559 HydrophobicContact CE2-CD2 4.09Å; Y528-L562 HydrophobicContact CD2-CD1 3.43Å; Y528-L562 VanDerWaalsContact CD2-CD1 3.43Å; Y528-L562 HydrophobicContact CE2-CD1 4.14Å; Y528-L562 HydrophobicContact CG-CD1 3.75Å; Y528-V618 PolarHBondContact OH-O 2.82Å
529	A	96.9	Very high	97.7	Very high	68 Å²	68	50.7 Å²	50.7	56%	0.562	27%	0.265	S	S	*	.	H	α-helix	trans	-68.1	-42.1	-176.3	0	0	0	0	0	112.7	Y525	Y525-A529 WeakPolarHBondContact O-CB 3.48Å; Y525-A529 PolarHBondContact O-N 2.92Å
530	S	95.7	Very high	97.6	Very high	56 Å²	56	51.3 Å²	51.3	39%	0.392	26%	0.264	S	S	.	.	H	α-helix	trans	-88.2	-22.1	-172.9	69.7	0	0	0	0	114.9	D526	D526-S530 WeakPolarHBondContact O-CB 3.37Å; D526-S530 PolarHBondContact O-N 3.41Å; D526-S530 PolarHBondContact O-OG 2.91Å
531	R	96.8	Very high	97.5	Very high	75 Å²	75	53.5 Å²	53.5	28%	0.283	28%	0.279	S	S	.	.	H	α-helix	trans	-115.7	-37.6	-171.9	-45.6	-61.5	162.2	142.5	-2.6	114.1	Y491 V496 L527 N533 D534 L535	Y491-R531 HydrophobicContact CD2-CB 4.22Å; Y491-R531 VanDerWaalsContact CD2-CD 3.48Å; Y491-R531 HydrophobicContact CD2-CG 4.45Å; Y491-R531 HydrophobicContact CG-CB 4.49Å; Y491-R531 PolarHBondContact OH-NH1 3.5Å; Y491-R531 VanDerWaalsContact OH-NH1 3.08Å; V496-R531 HydrophobicContact CG1-CB 4.02Å; V496-R531 HydrophobicContact CG2-CB 3.93Å; L527-R531 HydrophobicContact CD2-CG 4.09Å; L527-R531 VanDerWaalsContact O-CB 3.24Å; L527-R531 WeakPolarHBondContact O-CB 3.34Å; L527-R531 WeakPolarHBondContact O-CG 3.39Å; L527-R531 PolarHBondContact O-N 3.45Å; R531-N533 PolarHBondContact O-N 3.26Å; R531-N533 VanDerWaalsContact O-N 3.17Å; R531-D534 CarbonylContact O-C 3.52Å; R531-D534 PolarHBondContact O-N 2.69Å; R531-L535 PolarHBondContact O-N 3.22Å
532	M	96.7	Very high	97.3	Very high	13 Å²	13	56.2 Å²	56.2	6%	0.064	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.9	-170.2	-67.9	-59.7	-65.4	0	0	114.5	V496 Y528 L535 L554 Q555 M558	V496-M532 HydrophobicContact CG1-SD 4.28Å; Y528-M532 HydrophobicContact CD2-CG 4.07Å; Y528-M532 HydrophobicContact CE2-CG 4.45Å; Y528-M532 HydrophobicContact CG-CG 4.28Å; Y528-M532 VanDerWaalsContact O-CB 3.29Å; Y528-M532 WeakPolarHBondContact O-CB 3.16Å; Y528-M532 PolarHBondContact O-N 3.12Å; M532-L535 HydrophobicContact CE-CD1 4.13Å; M532-L535 HydrophobicContact SD-CD1 4.32Å; M532-L554 HydrophobicContact CE-CG 4.37Å; M532-L554 HydrophobicContact SD-CD2 4.3Å; M532-L554 HydrophobicContact SD-CG 4.26Å; M532-Q555 HydrophobicContact CE-CB 4.18Å; M532-Q555 HydrophobicContact CE-CG 3.59Å; M532-M558 HydrophobicContact CE-CB 4.45Å; M532-M558 HydrophobicContact CE-CG 4.15Å; M532-M558 HydrophobicContact CG-CE 4.46Å; M532-M558 HydrophobicContact CG-CG 4.43Å; M532-M558 HydrophobicContact SD-CB 4.49Å; M532-M558 HydrophobicContact SD-CG 3.72Å
533	N	94.2	Very high	97.2	Very high	108 Å²	108	55.3 Å²	55.3	58%	0.578	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.4	174.8	-74.4	-48.7	0	0	0	114.1	K483 R531	K483-N533 PolarHBondContact NZ-OD1 3.5Å; R531-N533 PolarHBondContact O-N 3.26Å; R531-N533 VanDerWaalsContact O-N 3.17Å
534	D	97	Very high	97.2	Very high	56 Å²	56	58.3 Å²	58.3	30%	0.299	30%	0.299	S	S	.	.	S	Bend	trans	-123.3	36.1	-179.2	-168.1	41.5	0	0	0	111.5	G489 S490 Y491 R531	G489-D534 CarbonylContact C-O 3.57Å; G489-D534 WeakPolarHBondContact CA-O 3.49Å; G489-D534 WeakPolarHBondContact CA-OD1 3.47Å; S490-D534 WeakPolarHBondContact CB-OD2 3.38Å; S490-D534 PolarHBondContact N-O 3Å; S490-D534 VanDerWaalsContact N-O 3.16Å; S490-D534 PolarHBondContact N-OD1 2.56Å; S490-D534 PolarHBondContact N-OD2 3.35Å; S490-D534 PolarHBondContact OG-OD2 3.05Å; Y491-D534 HydrophobicContact CD2-CB 3.98Å; Y491-D534 HydrophobicContact CE2-CB 4.24Å; Y491-D534 WeakPolarHBondContact CE2-OD2 3.44Å; Y491-D534 PolarHBondContact N-O 2.75Å; Y491-D534 VanDerWaalsContact N-O 3.09Å; R531-D534 CarbonylContact O-C 3.52Å; R531-D534 PolarHBondContact O-N 2.69Å
535	L	98.3	Very high	97.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	149.4	177.7	-65.6	177.7	0	0	0	111.5	L484 A487 G489 Y491 V496 R531 M532 L554	L484-L535 HydrophobicContact CD2-CD1 3.98Å; A487-L535 CarbonylContact C-O 3.58Å; A487-L535 VanDerWaalsContact CB-O 3.24Å; A487-L535 WeakPolarHBondContact CB-O 3.43Å; G489-L535 WeakPolarHBondContact CA-O 3.5Å; G489-L535 PolarHBondContact N-O 3.16Å; Y491-L535 CarbonylContact O-C 3.52Å; Y491-L535 WeakPolarHBondContact O-CA 3.33Å; V496-L535 HydrophobicContact CB-CD2 4.31Å; V496-L535 HydrophobicContact CG1-CD2 4.45Å; V496-L535 HydrophobicContact CG2-CD2 3.83Å; R531-L535 PolarHBondContact O-N 3.22Å; M532-L535 HydrophobicContact CE-CD1 4.13Å; M532-L535 HydrophobicContact SD-CD1 4.32Å; L535-L554 HydrophobicContact CD1-CD2 4.45Å; L535-L554 HydrophobicContact CD2-CD2 4.13Å
536	K	98.4	Very high	97.1	Very high	83 Å²	83	58.5 Å²	58.5	36%	0.361	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.7	170.8	-171.3	175.8	178.3	175	0	109.7	G489 Y491	G489-K536 WeakPolarHBondContact O-CB 3.42Å; Y491-K536 PolarHBondContact O-N 3.23Å
537	V	98.3	Very high	97.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.			trans	-94.4	140.5	159.4	-173.5	0	0	0	0	106.1	L484 A487 I493 D539 R540 D547 A551	L484-V537 WeakPolarHBondContact O-CB 3.47Å; L484-V537 WeakPolarHBondContact O-CG2 3.13Å; A487-V537 HydrophobicContact CB-CG2 4.24Å; A487-V537 PolarHBondContact O-N 3.27Å; I493-V537 HydrophobicContact CD1-CG2 3.83Å; V537-D539 WeakPolarHBondContact CG1-O 3.21Å; V537-R540 PolarHBondContact O-NH1 2.88Å; V537-R540 PolarHBondContact O-NH2 2.73Å; V537-D547 HydrophobicContact CG1-CB 4.04Å; V537-D547 WeakPolarHBondContact CG1-OD2 3.44Å; V537-A551 HydrophobicContact CG2-CB 4.02Å
538	S	97.5	Very high	97.1	Very high	79 Å²	79	55.4 Å²	55.4	55%	0.552	29%	0.294	S	S	*	.			trans	-102.3	-41.6	179.6	-57.8	0	0	0	0	111.4	R540 D547	S538-R540 PolarHBondContact O-N 3.2Å; S538-D547 WeakPolarHBondContact CA-OD2 3.39Å; S538-D547 PolarHBondContact N-OD2 3.22Å
539	D	97.9	Very high	97.2	Very high	63 Å²	63	55.2 Å²	55.2	34%	0.337	29%	0.294	S	S	.	.			trans	-74	126.6	175.4	-173.5	5.6	0	0	0	111.1	V537 S541 N545 D547	V537-D539 WeakPolarHBondContact CG1-O 3.21Å; D539-S541 VanDerWaalsContact CG-OG 3.27Å; D539-S541 WeakPolarHBondContact OD1-CB 3.19Å; D539-S541 PolarHBondContact OD1-N 3.41Å; D539-S541 PolarHBondContact OD1-OG 3.19Å; D539-S541 PolarHBondContact OD2-OG 2.91Å; D539-N545 PolarHBondContact O-ND2 3.39Å; D539-D547 HydrophobicContact CB-CB 4.05Å; D539-D547 PolarHBondContact N-OD2 2.84Å; D539-D547 VanDerWaalsContact N-OD2 3.13Å
540	R	95.8	Very high	97.2	Very high	84 Å²	84	55.5 Å²	55.5	32%	0.317	28%	0.284	S	S	.	.			trans	-101.9	-4.5	179.7	-52.9	-53.8	-179.8	-159.3	-4.3	112.9	R485 A487 N488 V537 S538	R485-R540 PolarHBondContact NH1-O 2.89Å; R485-R540 WeakPolarHBondContact O-CD 3.48Å; R485-R540 PolarHBondContact O-NH1 3Å; A487-R540 PolarHBondContact O-NH1 2.73Å; A487-R540 PolarHBondContact O-NH2 3.09Å; A487-R540 VanDerWaalsContact O-NH2 3.11Å; N488-R540 PolarHBondContact OD1-NH2 3.11Å; V537-R540 PolarHBondContact O-NH1 2.88Å; V537-R540 PolarHBondContact O-NH2 2.73Å; S538-R540 PolarHBondContact O-N 3.2Å
541	S	96.6	Very high	97.4	Very high	46 Å²	46	52.9 Å²	52.9	32%	0.322	27%	0.265	S	S	.	.			trans	-63.3	165.1	179.2	79.2	0	0	0	0	111.3	D539 I543 N545	D539-S541 VanDerWaalsContact CG-OG 3.27Å; D539-S541 WeakPolarHBondContact OD1-CB 3.19Å; D539-S541 PolarHBondContact OD1-N 3.41Å; D539-S541 PolarHBondContact OD1-OG 3.19Å; D539-S541 PolarHBondContact OD2-OG 2.91Å; S541-I543 PolarHBondContact OG-O 2.75Å; S541-N545 WeakPolarHBondContact O-CB 3.39Å; S541-N545 PolarHBondContact O-ND2 3.07Å
542	K	94	Very high	97.5	Very high	71 Å²	71	49.6 Å²	49.6	31%	0.309	25%	0.253	S	S	.	.	S	Bend	trans	-105.6	-25.9	174.1	-66.3	-177.6	178.7	-177.5	0	112.8	G37 Y38 G225	G37-K542 PolarHBondContact O-NZ 3.33Å; Y38-K542 HydrophobicContact CE1-CD 4.02Å; G225-K542 WeakPolarHBondContact CA-O 3.4Å
543	I	97.6	Very high	97.6	Very high	95 Å²	95	50 Å²	50	49%	0.487	26%	0.255	S	S	.	.	S	Bend	trans	-95.2	125.8	-174.6	-65.1	173.1	0	0	0	107.9	E223 S541 N545	E223-I543 WeakPolarHBondContact O-CG2 3.27Å; S541-I543 PolarHBondContact OG-O 2.75Å; I543-N545 PolarHBondContact O-N 2.93Å
544	W	98.1	Very high	97.8	Very high	130 Å²	130	44.9 Å²	44.9	49%	0.492	23%	0.228	S	C	.	.	S	Bend	trans	50.6	31.7	178.5	-87	104.4	0	0	0	114.6	E201 L222 S546	E201-W544 HydrophobicContact CB-CZ2 4.37Å; E201-W544 VanDerWaalsContact CD-CZ2 3.48Å; E201-W544 HydrophobicContact CG-CH2 4.19Å; E201-W544 HydrophobicContact CG-CZ2 4.29Å; E201-W544 WeakPolarHBondContact OE1-CH2 3.39Å; E201-W544 WeakPolarHBondContact OE2-CZ2 3.38Å; L222-W544 HydrophobicContact CB-CD2 4.49Å; L222-W544 PolarHBondContact O-N 3.29Å; W544-S546 VanDerWaalsContact C-N 3.32Å; W544-S546 PolarHBondContact O-N 3.31Å
545	N	98.1	Very high	97.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.011	22%	0.22	C	C	.	.			trans	-74.6	84.8	176.7	-172.5	-23.2	0	0	0	110	D539 S541 I543 D547 L548 M549	D539-N545 PolarHBondContact O-ND2 3.39Å; S541-N545 WeakPolarHBondContact O-CB 3.39Å; S541-N545 PolarHBondContact O-ND2 3.07Å; I543-N545 PolarHBondContact O-N 2.93Å; N545-D547 VanDerWaalsContact C-N 3.26Å; N545-D547 PolarHBondContact O-N 3.23Å; N545-D547 WeakPolarHBondContact OD1-CB 3.29Å; N545-D547 PolarHBondContact OD1-N 2.96Å; N545-L548 HydrophobicContact CB-CB 4.12Å; N545-L548 PolarHBondContact O-N 3.03Å; N545-L548 WeakPolarHBondContact OD1-CB 3.39Å; N545-L548 PolarHBondContact OD1-N 3.25Å; N545-M549 PolarHBondContact O-N 3.41Å; N545-M549 VanDerWaalsContact O-N 3.15Å
546	S	97.5	Very high	97.9	Very high	71 Å²	71	43.6 Å²	43.6	50%	0.497	22%	0.22	S	C	.	.	H	α-helix	trans	-65	-31.3	179.8	62.7	0	0	0	0	112.1	W544 L548 M549 E550	W544-S546 VanDerWaalsContact C-N 3.32Å; W544-S546 PolarHBondContact O-N 3.31Å; S546-L548 VanDerWaalsContact C-N 3.35Å; S546-L548 PolarHBondContact O-N 3.26Å; S546-M549 PolarHBondContact O-N 3.46Å; S546-E550 WeakPolarHBondContact O-CB 3.46Å; S546-E550 WeakPolarHBondContact O-CG 3.28Å; S546-E550 PolarHBondContact O-N 3.38Å
547	D	98.1	Very high	97.9	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.214	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-44.5	176.8	-163.5	16.6	0	0	0	110.9	I493 V537 S538 D539 N545 A551	I493-D547 WeakPolarHBondContact CD1-O 3.2Å; I493-D547 WeakPolarHBondContact CD1-OD1 3.46Å; V537-D547 HydrophobicContact CG1-CB 4.04Å; V537-D547 WeakPolarHBondContact CG1-OD2 3.44Å; S538-D547 WeakPolarHBondContact CA-OD2 3.39Å; S538-D547 PolarHBondContact N-OD2 3.22Å; D539-D547 HydrophobicContact CB-CB 4.05Å; D539-D547 PolarHBondContact N-OD2 2.84Å; D539-D547 VanDerWaalsContact N-OD2 3.13Å; N545-D547 VanDerWaalsContact C-N 3.26Å; N545-D547 PolarHBondContact O-N 3.23Å; N545-D547 WeakPolarHBondContact OD1-CB 3.29Å; N545-D547 PolarHBondContact OD1-N 2.96Å; D547-A551 PolarHBondContact O-N 3.39Å
548	L	98.3	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-44.8	173.3	176.6	57.5	0	0	0	112.6	Y481 L484 R485 N545 S546 E550 A551 L552	Y481-L548 HydrophobicContact CD2-CD2 4.14Å; Y481-L548 HydrophobicContact CE1-CD2 3.93Å; Y481-L548 HydrophobicContact CE2-CD2 3.51Å; Y481-L548 HydrophobicContact CE2-CG 4.31Å; L484-L548 HydrophobicContact CB-CD1 3.51Å; R485-L548 HydrophobicContact CB-CD1 4.15Å; R485-L548 HydrophobicContact CB-CD2 3.8Å; R485-L548 HydrophobicContact CG-CD2 4Å; N545-L548 HydrophobicContact CB-CB 4.12Å; N545-L548 PolarHBondContact O-N 3.03Å; N545-L548 WeakPolarHBondContact OD1-CB 3.39Å; N545-L548 PolarHBondContact OD1-N 3.25Å; S546-L548 VanDerWaalsContact C-N 3.35Å; S546-L548 PolarHBondContact O-N 3.26Å; L548-E550 VanDerWaalsContact C-N 3.28Å; L548-E550 PolarHBondContact O-N 2.84Å; L548-A551 WeakPolarHBondContact O-CA 3.3Å; L548-A551 WeakPolarHBondContact O-CB 3.24Å; L548-A551 PolarHBondContact O-N 3.48Å; L548-A551 VanDerWaalsContact O-N 3.11Å; L548-L552 HydrophobicContact CG-CD1 4.37Å; L548-L552 PolarHBondContact O-N 2.88Å
549	M	98.5	Very high	98	Very high	16 Å²	16	36.2 Å²	36.2	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-42.3	179.2	-67.2	-50.7	105.2	0	0	110.9	F203 V220 L222 Y481 N545 S546 A551 L552 E553	F203-M549 HydrophobicContact CB-SD 3.78Å; F203-M549 HydrophobicContact CD1-SD 4.32Å; F203-M549 HydrophobicContact CD2-SD 4.09Å; F203-M549 HydrophobicContact CG-SD 3.81Å; V220-M549 HydrophobicContact CG1-CE 4.14Å; V220-M549 HydrophobicContact CG1-SD 4.1Å; L222-M549 HydrophobicContact CD2-CE 4.24Å; L222-M549 HydrophobicContact CD2-CG 3.66Å; L222-M549 HydrophobicContact CD2-SD 3.41Å; L222-M549 WeakPolarHBondContact CD2-SD 3.31Å; Y481-M549 HydrophobicContact CE2-CE 3.79Å; N545-M549 PolarHBondContact O-N 3.41Å; N545-M549 VanDerWaalsContact O-N 3.15Å; S546-M549 PolarHBondContact O-N 3.46Å; M549-A551 VanDerWaalsContact C-N 3.27Å; M549-A551 PolarHBondContact O-N 2.91Å; M549-L552 HydrophobicContact CE-CD1 3.75Å; M549-L552 WeakPolarHBondContact O-CB 3.46Å; M549-L552 PolarHBondContact O-N 3.45Å; M549-L552 HydrophobicContact SD-CD1 4.06Å; M549-E553 WeakPolarHBondContact O-CG 3.33Å; M549-E553 PolarHBondContact O-N 3.13Å
550	E	98.6	Very high	98.1	Very high	74 Å²	74	33.2 Å²	33.2	35%	0.346	16%	0.162	S	C	.	.	H	α-helix	trans	-66.3	-27.3	176.1	-84.3	-163.7	-133.9	0	0	113.4	R497 S546 L548 L554	R497-E550 IonicContact CZ-OE2 3.61Å; R497-E550 VanDerWaalsContact CZ-OE2 3.3Å; R497-E550 IonicContact NH1-OE2 2.75Å; R497-E550 PolarHBondContact NH1-OE2 3.41Å; R497-E550 PolarHBondContact NH2-O 2.89Å; R497-E550 IonicContact NH2-OE2 3.41Å; R497-E550 PolarHBondContact NH2-OE2 2.91Å; S546-E550 WeakPolarHBondContact O-CB 3.46Å; S546-E550 WeakPolarHBondContact O-CG 3.28Å; S546-E550 PolarHBondContact O-N 3.38Å; L548-E550 VanDerWaalsContact C-N 3.28Å; L548-E550 PolarHBondContact O-N 2.84Å; E550-L554 WeakPolarHBondContact O-CB 3.35Å; E550-L554 PolarHBondContact O-N 3.04Å
551	A	98.6	Very high	98.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-45.5	169.5	0	0	0	0	0	112	L484 I493 V537 D547 L548 M549 E553 L554 Q555	L484-A551 HydrophobicContact CD1-CB 4.23Å; L484-A551 HydrophobicContact CD2-CB 4.29Å; I493-A551 HydrophobicContact CD1-CB 3.56Å; I493-A551 HydrophobicContact CG1-CB 3.99Å; V537-A551 HydrophobicContact CG2-CB 4.02Å; D547-A551 PolarHBondContact O-N 3.39Å; L548-A551 WeakPolarHBondContact O-CA 3.3Å; L548-A551 WeakPolarHBondContact O-CB 3.24Å; L548-A551 PolarHBondContact O-N 3.48Å; L548-A551 VanDerWaalsContact O-N 3.11Å; M549-A551 VanDerWaalsContact C-N 3.27Å; M549-A551 PolarHBondContact O-N 2.91Å; A551-E553 VanDerWaalsContact C-N 3.35Å; A551-L554 WeakPolarHBondContact O-CB 3.2Å; A551-L554 PolarHBondContact O-N 3.43Å; A551-Q555 PolarHBondContact O-N 3.02Å
552	L	98.8	Very high	98.3	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-43.2	175.8	-71	162.3	0	0	0	110.6	F203 L205 Y481 L484 L548 M549 L554 Q555 N556	F203-L552 HydrophobicContact CD1-CD1 4.32Å; F203-L552 HydrophobicContact CE1-CB 3.94Å; F203-L552 HydrophobicContact CE1-CD1 4.18Å; F203-L552 HydrophobicContact CZ-CB 3.98Å; L205-L552 HydrophobicContact CD2-CD1 3.77Å; L205-L552 HydrophobicContact CD2-CD2 4.19Å; Y481-L552 HydrophobicContact CD2-CD1 4.1Å; Y481-L552 HydrophobicContact CE2-CD1 4.42Å; L484-L552 HydrophobicContact CD1-CD2 3.54Å; L484-L552 HydrophobicContact CD1-CG 3.86Å; L548-L552 HydrophobicContact CG-CD1 4.37Å; L548-L552 PolarHBondContact O-N 2.88Å; M549-L552 HydrophobicContact CE-CD1 3.75Å; M549-L552 WeakPolarHBondContact O-CB 3.46Å; M549-L552 PolarHBondContact O-N 3.45Å; M549-L552 HydrophobicContact SD-CD1 4.06Å; L552-L554 VanDerWaalsContact C-N 3.31Å; L552-L554 PolarHBondContact O-N 2.73Å; L552-Q555 WeakPolarHBondContact O-CB 3.35Å; L552-Q555 PolarHBondContact O-N 3.43Å; L552-N556 VanDerWaalsContact O-CG 3.3Å; L552-N556 PolarHBondContact O-N 2.98Å; L552-N556 PolarHBondContact O-ND2 3.4Å
553	E	98.9	Very high	98.6	Very high	22 Å²	22	23.7 Å²	23.7	10%	0.103	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-36	173.7	-71.7	-179.6	154.7	0	0	112.2	K75 F203 T256 M549 A551 N556 L557	K75-E553 IonicContact NZ-OE1 3.3Å; K75-E553 PolarHBondContact NZ-OE1 2.82Å; F203-E553 HydrophobicContact CE2-CG 3.7Å; F203-E553 HydrophobicContact CZ-CG 4Å; T256-E553 HydrophobicContact CG2-CB 3.81Å; T256-E553 HydrophobicContact CG2-CG 3.93Å; M549-E553 WeakPolarHBondContact O-CG 3.33Å; M549-E553 PolarHBondContact O-N 3.13Å; A551-E553 VanDerWaalsContact C-N 3.35Å; E553-N556 WeakPolarHBondContact O-CB 3.38Å; E553-N556 PolarHBondContact O-N 3.47Å; E553-L557 WeakPolarHBondContact O-CB 3.42Å; E553-L557 VanDerWaalsContact O-CG 3.28Å; E553-L557 WeakPolarHBondContact O-CG 3.38Å; E553-L557 PolarHBondContact O-N 2.61Å
554	L	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.6	-41.7	173.1	176.1	62.9	0	0	0	111.7	I493 V496 R497 M500 M532 L535 E550 A551 L552 N556 L557 M558	I493-L554 HydrophobicContact CG2-CB 4.17Å; I493-L554 HydrophobicContact CG2-CD2 3.9Å; V496-L554 HydrophobicContact CB-CD2 3.87Å; V496-L554 HydrophobicContact CG1-CD2 3.92Å; R497-L554 HydrophobicContact CB-CD1 3.96Å; R497-L554 HydrophobicContact CG-CD1 4.34Å; M500-L554 HydrophobicContact CE-CD1 4.42Å; M532-L554 HydrophobicContact CE-CG 4.37Å; M532-L554 HydrophobicContact SD-CD2 4.3Å; M532-L554 HydrophobicContact SD-CG 4.26Å; L535-L554 HydrophobicContact CD1-CD2 4.45Å; L535-L554 HydrophobicContact CD2-CD2 4.13Å; E550-L554 WeakPolarHBondContact O-CB 3.35Å; E550-L554 PolarHBondContact O-N 3.04Å; A551-L554 WeakPolarHBondContact O-CB 3.2Å; A551-L554 PolarHBondContact O-N 3.43Å; L552-L554 VanDerWaalsContact C-N 3.31Å; L552-L554 PolarHBondContact O-N 2.73Å; L554-N556 VanDerWaalsContact C-N 3.28Å; L554-N556 PolarHBondContact O-N 2.91Å; L554-L557 PolarHBondContact O-N 2.88Å; L554-M558 HydrophobicContact CD1-CG 4.03Å; L554-M558 HydrophobicContact CG-CG 4.42Å; L554-M558 WeakPolarHBondContact O-CB 3.32Å; L554-M558 WeakPolarHBondContact O-CG 3.47Å; L554-M558 PolarHBondContact O-N 3.35Å
555	Q	98.7	Very high	98.7	Very high	30 Å²	30	13 Å²	13	14%	0.14	7%	0.07	C	C	.	.	H	α-helix	trans	-57.6	-44.3	172.6	-71.1	-177	-32.8	0	0	111	N480 L484 M532 A551 L552 M558 L559	N480-Q555 PolarHBondContact ND2-OE1 2.77Å; N480-Q555 PolarHBondContact OD1-NE2 3.08Å; L484-Q555 HydrophobicContact CD1-CG 4.37Å; M532-Q555 HydrophobicContact CE-CB 4.18Å; M532-Q555 HydrophobicContact CE-CG 3.59Å; A551-Q555 PolarHBondContact O-N 3.02Å; L552-Q555 WeakPolarHBondContact O-CB 3.35Å; L552-Q555 PolarHBondContact O-N 3.43Å; Q555-M558 PolarHBondContact O-N 3.05Å; Q555-L559 WeakPolarHBondContact O-CG 3.27Å; Q555-L559 PolarHBondContact O-N 2.88Å
556	N	98.9	Very high	98.7	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-49.4	178.1	-61.4	-23.7	0	0	0	111.5	D258 A261 R265 L552 E553 L554 M558 L559 N560	D258-N556 PolarHBondContact OD1-ND2 3.37Å; A261-N556 HydrophobicContact CB-CB 3.56Å; A261-N556 WeakPolarHBondContact CB-OD1 3.37Å; R265-N556 PolarHBondContact NH1-OD1 2.86Å; R265-N556 PolarHBondContact NH2-OD1 3.02Å; L552-N556 VanDerWaalsContact O-CG 3.3Å; L552-N556 PolarHBondContact O-N 2.98Å; L552-N556 PolarHBondContact O-ND2 3.4Å; E553-N556 WeakPolarHBondContact O-CB 3.38Å; E553-N556 PolarHBondContact O-N 3.47Å; L554-N556 VanDerWaalsContact C-N 3.28Å; L554-N556 PolarHBondContact O-N 2.91Å; N556-M558 VanDerWaalsContact C-N 3.34Å; N556-M558 PolarHBondContact O-N 3.12Å; N556-L559 PolarHBondContact O-N 3.11Å; N556-N560 PolarHBondContact O-N 3.3Å; N556-N560 PolarHBondContact O-ND2 3.16Å
557	L	98.9	Very high	98.8	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-58.8	-42.5	179.3	-75.6	168.5	0	0	0	112.4	R244 T245 T256 M500 E553 L554 L559 N560 A561	R244-L557 HydrophobicContact CB-CD1 4.42Å; R244-L557 HydrophobicContact CB-CD2 3.99Å; T245-L557 HydrophobicContact CG2-CB 4.27Å; T245-L557 HydrophobicContact CG2-CD2 3.6Å; T245-L557 WeakPolarHBondContact CG2-O 3.47Å; T256-L557 HydrophobicContact CG2-CD1 4.12Å; T256-L557 HydrophobicContact CG2-CD2 4.47Å; T256-L557 HydrophobicContact CG2-CG 4.28Å; M500-L557 HydrophobicContact CE-CB 3.76Å; M500-L557 HydrophobicContact CE-CD1 4.04Å; M500-L557 HydrophobicContact CE-CG 4.38Å; M500-L557 HydrophobicContact SD-CB 3.81Å; E553-L557 WeakPolarHBondContact O-CB 3.42Å; E553-L557 VanDerWaalsContact O-CG 3.28Å; E553-L557 WeakPolarHBondContact O-CG 3.38Å; E553-L557 PolarHBondContact O-N 2.61Å; L554-L557 PolarHBondContact O-N 2.88Å; L557-L559 VanDerWaalsContact C-N 3.34Å; L557-L559 PolarHBondContact O-N 2.76Å; L557-N560 PolarHBondContact O-N 2.89Å; L557-A561 VanDerWaalsContact O-CB 3.32Å; L557-A561 WeakPolarHBondContact O-CB 3.32Å; L557-A561 PolarHBondContact O-N 3.41Å
558	M	98.8	Very high	98.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.7	-39.4	-179.9	-78.1	-65.1	-61.8	0	0	112.7	M500 M524 L527 Y528 M532 L554 Q555 N556 L562	M500-M558 HydrophobicContact CB-SD 3.8Å; M500-M558 HydrophobicContact CG-SD 3.79Å; M500-M558 HydrophobicContact SD-CG 4.11Å; M500-M558 HydrophobicContact SD-SD 3.62Å; M500-M558 VanDerWaalsContact SD-SD 3.62Å; M524-M558 HydrophobicContact CE-CE 3.67Å; M524-M558 HydrophobicContact CE-SD 3.78Å; L527-M558 HydrophobicContact CB-CE 4.15Å; Y528-M558 HydrophobicContact CD2-CB 4.09Å; Y528-M558 HydrophobicContact CD2-CE 3.84Å; Y528-M558 HydrophobicContact CE2-CB 4.25Å; Y528-M558 HydrophobicContact CG-CE 4.34Å; M532-M558 HydrophobicContact CE-CB 4.45Å; M532-M558 HydrophobicContact CE-CG 4.15Å; M532-M558 HydrophobicContact CG-CE 4.46Å; M532-M558 HydrophobicContact CG-CG 4.43Å; M532-M558 HydrophobicContact SD-CB 4.49Å; M532-M558 HydrophobicContact SD-CG 3.72Å; L554-M558 HydrophobicContact CD1-CG 4.03Å; L554-M558 HydrophobicContact CG-CG 4.42Å; L554-M558 WeakPolarHBondContact O-CB 3.32Å; L554-M558 WeakPolarHBondContact O-CG 3.47Å; L554-M558 PolarHBondContact O-N 3.35Å; Q555-M558 PolarHBondContact O-N 3.05Å; N556-M558 VanDerWaalsContact C-N 3.34Å; N556-M558 PolarHBondContact O-N 3.12Å; M558-L562 WeakPolarHBondContact O-CB 3.27Å; M558-L562 PolarHBondContact O-N 2.68Å
559	L	98.9	Very high	98.8	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-63.2	-48	175.1	-63.2	175.1	0	0	0	110.6	A261 T264 R265 Y528 Q555 N556 L557 A561 L562 Q563 Q616	A261-L559 HydrophobicContact CB-CD1 4.07Å; T264-L559 HydrophobicContact CG2-CB 4.49Å; T264-L559 HydrophobicContact CG2-CD1 4.18Å; T264-L559 HydrophobicContact CG2-CD2 4.38Å; R265-L559 HydrophobicContact CG-CD1 4.12Å; Y528-L559 HydrophobicContact CE2-CD2 4.09Å; Q555-L559 WeakPolarHBondContact O-CG 3.27Å; Q555-L559 PolarHBondContact O-N 2.88Å; N556-L559 PolarHBondContact O-N 3.11Å; L557-L559 VanDerWaalsContact C-N 3.34Å; L557-L559 PolarHBondContact O-N 2.76Å; L559-A561 PolarHBondContact O-N 2.89Å; L559-L562 PolarHBondContact O-N 3.02Å; L559-Q563 WeakPolarHBondContact O-CG 3.49Å; L559-Q563 PolarHBondContact O-N 3.29Å; L559-Q563 VanDerWaalsContact O-N 3.07Å; L559-Q616 VanDerWaalsContact CA-OE1 3.22Å; L559-Q616 VanDerWaalsContact CD2-CD 3.45Å; L559-Q616 HydrophobicContact CD2-CG 4.28Å; L559-Q616 PolarHBondContact O-OE1 2.82Å
560	N	98.9	Very high	98.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.2	-43.1	177.9	-71.9	-70.7	0	0	0	112.5	Y242 T245 G257 T260 M273 N556 L557 T564	Y242-N560 HydrophobicContact CD1-CB 4.45Å; Y242-N560 HydrophobicContact CD2-CB 3.75Å; Y242-N560 HydrophobicContact CE2-CB 4.28Å; Y242-N560 HydrophobicContact CG-CB 3.86Å; T245-N560 HydrophobicContact CG2-CB 4.14Å; G257-N560 PolarHBondContact O-ND2 3.26Å; T260-N560 VanDerWaalsContact CB-OD1 3.27Å; T260-N560 WeakPolarHBondContact CB-OD1 3.25Å; T260-N560 PolarHBondContact OG1-ND2 2.7Å; T260-N560 PolarHBondContact OG1-OD1 2.99Å; M273-N560 HydrophobicContact CE-CB 4.19Å; M273-N560 WeakPolarHBondContact CE-OD1 3.43Å; N556-N560 PolarHBondContact O-N 3.3Å; N556-N560 PolarHBondContact O-ND2 3.16Å; L557-N560 PolarHBondContact O-N 2.89Å; N560-T564 VanDerWaalsContact O-CB 3.31Å; N560-T564 WeakPolarHBondContact O-CB 3.42Å; N560-T564 PolarHBondContact O-N 3.1Å; N560-T564 PolarHBondContact O-OG1 3.11Å
561	A	98.9	Very high	98.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.9	-45.3	-179.6	0	0	0	0	0	112	T245 M500 M504 M524 L557 L559 T564 I565	T245-A561 HydrophobicContact CG2-CB 3.92Å; M500-A561 HydrophobicContact CG-CB 4.1Å; M500-A561 HydrophobicContact SD-CB 4Å; M504-A561 HydrophobicContact CE-CB 4.49Å; M504-A561 HydrophobicContact CG-CB 4.05Å; M504-A561 HydrophobicContact SD-CB 3.95Å; M524-A561 HydrophobicContact CE-CB 3.61Å; L557-A561 VanDerWaalsContact O-CB 3.32Å; L557-A561 WeakPolarHBondContact O-CB 3.32Å; L557-A561 PolarHBondContact O-N 3.41Å; L559-A561 PolarHBondContact O-N 2.89Å; A561-T564 WeakPolarHBondContact O-CB 3.38Å; A561-T564 PolarHBondContact O-N 3.34Å; A561-I565 PolarHBondContact O-N 2.93Å
562	L	98.9	Very high	98.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.4	-48.4	176.8	-85.7	167	0	0	0	111.9	M524 Y525 Y528 M558 L559 T564 I565 V566 V623	M524-L562 HydrophobicContact CB-CD2 3.65Å; M524-L562 HydrophobicContact CB-CG 4.32Å; M524-L562 HydrophobicContact CE-CG 4.28Å; Y525-L562 HydrophobicContact CD1-CD2 3.75Å; Y525-L562 HydrophobicContact CD2-CD2 4.48Å; Y525-L562 HydrophobicContact CE1-CD2 3.79Å; Y525-L562 HydrophobicContact CG-CD2 4.09Å; Y528-L562 HydrophobicContact CD2-CD1 3.43Å; Y528-L562 VanDerWaalsContact CD2-CD1 3.43Å; Y528-L562 HydrophobicContact CE2-CD1 4.14Å; Y528-L562 HydrophobicContact CG-CD1 3.75Å; M558-L562 WeakPolarHBondContact O-CB 3.27Å; M558-L562 PolarHBondContact O-N 2.68Å; L559-L562 PolarHBondContact O-N 3.02Å; L562-T564 VanDerWaalsContact C-N 3.27Å; L562-T564 PolarHBondContact O-N 2.72Å; L562-I565 PolarHBondContact O-N 3.16Å; L562-V566 VanDerWaalsContact O-CB 3.3Å; L562-V566 WeakPolarHBondContact O-CB 3.29Å; L562-V566 WeakPolarHBondContact O-CG2 3.4Å; L562-V566 PolarHBondContact O-N 3.2Å; L562-V623 HydrophobicContact CB-CG2 4.03Å
563	Q	98.9	Very high	98.9	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-58.7	-40	176.1	-73.5	-178.9	-30.7	0	0	112	T264 N270 M273 L559 G567 S614 V623	T264-Q563 PolarHBondContact OG1-NE2 3.43Å; T264-Q563 VanDerWaalsContact OG1-NE2 3.08Å; T264-Q563 PolarHBondContact OG1-OE1 3.04Å; N270-Q563 PolarHBondContact ND2-OE1 3.08Å; M273-Q563 HydrophobicContact CB-CB 4.28Å; M273-Q563 HydrophobicContact CG-CB 4.14Å; L559-Q563 WeakPolarHBondContact O-CG 3.49Å; L559-Q563 PolarHBondContact O-N 3.29Å; L559-Q563 VanDerWaalsContact O-N 3.07Å; Q563-G567 PolarHBondContact O-N 2.92Å; Q563-S614 PolarHBondContact NE2-O 3.1Å; Q563-V623 HydrophobicContact CG-CG1 4.5Å; Q563-V623 HydrophobicContact CG-CG2 4.46Å
564	T	99	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63	-53.8	178.5	-62.8	0	0	0	0	112.3	Y242 M273 V276 M504 N560 A561 L562 A568	Y242-T564 VanDerWaalsContact CE2-OG1 3.3Å; Y242-T564 WeakPolarHBondContact CE2-OG1 3.47Å; Y242-T564 PolarHBondContact OH-OG1 3.41Å; M273-T564 WeakPolarHBondContact O-CG2 3.42Å; M273-T564 PolarHBondContact O-OG1 2.88Å; V276-T564 HydrophobicContact CG2-CG2 3.88Å; M504-T564 HydrophobicContact CE-CG2 3.63Å; N560-T564 VanDerWaalsContact O-CB 3.31Å; N560-T564 WeakPolarHBondContact O-CB 3.42Å; N560-T564 PolarHBondContact O-N 3.1Å; N560-T564 PolarHBondContact O-OG1 3.11Å; A561-T564 WeakPolarHBondContact O-CB 3.38Å; A561-T564 PolarHBondContact O-N 3.34Å; L562-T564 VanDerWaalsContact C-N 3.27Å; L562-T564 PolarHBondContact O-N 2.72Å; T564-A568 WeakPolarHBondContact O-CB 3.49Å; T564-A568 PolarHBondContact O-N 2.94Å
565	I	98.9	Very high	98.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-74.7	-33.8	-172.7	-160.8	163.2	0	0	0	112.2	M504 A508 L517 M524 A561 L562 A568 E569	M504-I565 HydrophobicContact CE-CB 4.27Å; M504-I565 HydrophobicContact SD-CB 4.1Å; M504-I565 HydrophobicContact SD-CD1 4.2Å; A508-I565 HydrophobicContact CB-CD1 4.12Å; A508-I565 HydrophobicContact CB-CG1 4.21Å; L517-I565 HydrophobicContact CD2-CG1 4.05Å; M524-I565 HydrophobicContact CB-CG2 4.36Å; M524-I565 HydrophobicContact CG-CG2 4.16Å; A561-I565 PolarHBondContact O-N 2.93Å; L562-I565 PolarHBondContact O-N 3.16Å; I565-A568 PolarHBondContact O-N 3.06Å; I565-E569 PolarHBondContact O-N 3.16Å
566	V	98.9	Very high	98.8	Very high	18 Å²	18	10 Å²	10	11%	0.109	5%	0.053	C	C	.	.	H	α-helix	trans	-69.2	-41.5	175.5	175.8	0	0	0	0	110.7	Y525 L562 A568 E569 A570 V623 L625	Y525-V566 HydrophobicContact CE2-CG2 3.95Å; Y525-V566 WeakPolarHBondContact OH-CG2 3.33Å; L562-V566 VanDerWaalsContact O-CB 3.3Å; L562-V566 WeakPolarHBondContact O-CB 3.29Å; L562-V566 WeakPolarHBondContact O-CG2 3.4Å; L562-V566 PolarHBondContact O-N 3.2Å; V566-A568 VanDerWaalsContact C-N 3.29Å; V566-A568 PolarHBondContact O-N 2.94Å; V566-E569 PolarHBondContact O-N 3.48Å; V566-A570 WeakPolarHBondContact O-CB 3.35Å; V566-A570 PolarHBondContact O-N 2.86Å; V566-A570 VanDerWaalsContact O-N 3.1Å; V566-V623 HydrophobicContact CB-CB 4.17Å; V566-V623 HydrophobicContact CB-CG1 4.04Å; V566-V623 HydrophobicContact CB-CG2 4.49Å; V566-V623 HydrophobicContact CG1-CB 3.96Å; V566-V623 HydrophobicContact CG1-CG1 3.81Å; V566-V623 HydrophobicContact CG2-CB 4.17Å; V566-V623 HydrophobicContact CG2-CG2 4.18Å; V566-L625 HydrophobicContact CG1-CD1 4.2Å; V566-L625 HydrophobicContact CG1-CG 4.35Å
567	G	98.9	Very high	98.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-59	-41.6	171.1	0	0	0	0	0	112.2	Q563 A570 R571	Q563-G567 PolarHBondContact O-N 2.92Å; G567-A570 PolarHBondContact O-N 3.37Å; G567-R571 WeakPolarHBondContact O-CB 3.29Å; G567-R571 PolarHBondContact O-N 2.86Å; G567-R571 VanDerWaalsContact O-N 3.11Å
568	A	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.6	-40.2	178.7	0	0	0	0	0	113	E274 L517 T564 I565 V566 H578 R580	E274-A568 HydrophobicContact CB-CB 3.87Å; L517-A568 HydrophobicContact CD1-CB 4.36Å; L517-A568 WeakPolarHBondContact CD1-O 3.38Å; L517-A568 HydrophobicContact CD2-CB 3.78Å; T564-A568 WeakPolarHBondContact O-CB 3.49Å; T564-A568 PolarHBondContact O-N 2.94Å; I565-A568 PolarHBondContact O-N 3.06Å; V566-A568 VanDerWaalsContact C-N 3.29Å; V566-A568 PolarHBondContact O-N 2.94Å; A568-H578 PolarHBondContact O-CE1 3.12Å; A568-H578 VanDerWaalsContact O-CE1 3.29Å; A568-R580 PolarHBondContact O-NH1 2.92Å
569	E	98.8	Very high	98.8	Very high	55 Å²	55	10.4 Å²	10.4	26%	0.257	6%	0.057	S	C	.	.	H	α-helix	trans	-63.2	-45.2	176.3	-167.8	-75.9	151.6	0	0	111	L517 I565 V566 R571 R580	L517-E569 HydrophobicContact CB-CB 4.06Å; L517-E569 HydrophobicContact CB-CG 4.13Å; I565-E569 PolarHBondContact O-N 3.16Å; V566-E569 PolarHBondContact O-N 3.48Å; E569-R571 PolarHBondContact O-N 3.1Å; E569-R580 PolarHBondContact O-NH1 2.98Å
570	A	98.8	Very high	98.8	Very high	16 Å²	16	10.5 Å²	10.5	13%	0.132	6%	0.057	C	C	.	.	H	α-helix	trans	-66.7	-39	-176.8	0	0	0	0	0	113	V566 G567 K572 W608 L625	V566-A570 WeakPolarHBondContact O-CB 3.35Å; V566-A570 PolarHBondContact O-N 2.86Å; V566-A570 VanDerWaalsContact O-N 3.1Å; G567-A570 PolarHBondContact O-N 3.37Å; A570-K572 PolarHBondContact O-N 2.94Å; A570-K572 VanDerWaalsContact O-N 3.08Å; A570-W608 WeakPolarHBondContact O-CH2 3.5Å; A570-W608 WeakPolarHBondContact O-CZ2 3.39Å; A570-L625 HydrophobicContact CB-CD1 3.33Å
571	R	98.8	Very high	98.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.			trans	-71.7	98	-178	-175.5	169.2	-69.3	-85.6	-0.8	111.8	E274 G567 E569 E573 H578 R580 W608 K610 T612	E274-R571 IonicContact OE1-CZ 3.06Å; E274-R571 IonicContact OE1-NE 3.93Å; E274-R571 PolarHBondContact OE1-NE 3.16Å; E274-R571 IonicContact OE1-NH2 2.74Å; E274-R571 PolarHBondContact OE1-NH2 3.49Å; G567-R571 WeakPolarHBondContact O-CB 3.29Å; G567-R571 PolarHBondContact O-N 2.86Å; G567-R571 VanDerWaalsContact O-N 3.11Å; E569-R571 PolarHBondContact O-N 3.1Å; R571-E573 HydrophobicContact CG-CG 3.79Å; R571-E573 IonicContact NH1-OE1 2.8Å; R571-E573 PolarHBondContact NH1-OE1 2.79Å; R571-E573 PolarHBondContact O-N 3.43Å; R571-H578 PolarHBondContact O-NE2 3.08Å; R571-H578 VanDerWaalsContact O-NE2 3.11Å; R571-R580 PolarHBondContact O-NH1 2.76Å; R571-R580 VanDerWaalsContact O-NH1 3.07Å; R571-W608 HydrophobicContact CB-CE3 4.4Å; R571-W608 HydrophobicContact CB-CZ3 4.25Å; R571-W608 HydrophobicContact CG-CD2 4.32Å; R571-W608 HydrophobicContact CG-CE3 4.04Å; R571-W608 HydrophobicContact CG-CZ3 4.39Å; R571-W608 PolarHBondContact NH1-O 3.46Å; R571-K610 PolarHBondContact NH2-O 3.49Å; R571-T612 PolarHBondContact NH2-OG1 3.33Å
572	K	98.6	Very high	98.7	Very high	86 Å²	86	18.2 Å²	18.2	37%	0.374	10%	0.095	S	C	.	.			trans	-93.1	59.2	-179.6	-63.7	-178	-178.2	75.7	0	111.9	A570 F583 W608	A570-K572 PolarHBondContact O-N 2.94Å; A570-K572 VanDerWaalsContact O-N 3.08Å; K572-F583 HydrophobicContact CB-CD1 3.92Å; K572-F583 HydrophobicContact CB-CD2 3.87Å; K572-F583 HydrophobicContact CB-CE1 3.92Å; K572-F583 HydrophobicContact CB-CE2 3.88Å; K572-F583 HydrophobicContact CB-CG 3.91Å; K572-F583 HydrophobicContact CB-CZ 3.91Å; K572-F583 HydrophobicContact CD-CE1 4.37Å; K572-F583 HydrophobicContact CD-CE2 3.96Å; K572-F583 HydrophobicContact CD-CZ 3.74Å; K572-F583 HydrophobicContact CG-CD2 4.16Å; K572-F583 HydrophobicContact CG-CE2 3.8Å; K572-F583 HydrophobicContact CG-CZ 4Å; K572-W608 HydrophobicContact CB-CZ2 4.21Å; K572-W608 PolarHBondContact O-NE1 3.13Å
573	E	98.8	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-150.8	177.8	171.1	67.9	162.5	171.3	0	0	110	R571 R575 H578 R580 F583 V587 W608	R571-E573 HydrophobicContact CG-CG 3.79Å; R571-E573 IonicContact NH1-OE1 2.8Å; R571-E573 PolarHBondContact NH1-OE1 2.79Å; R571-E573 PolarHBondContact O-N 3.43Å; E573-R575 IonicContact OE1-CZ 3.84Å; E573-R575 IonicContact OE1-NE 2.69Å; E573-R575 PolarHBondContact OE1-NE 3.25Å; E573-R575 IonicContact OE1-NH2 3.88Å; E573-R575 IonicContact OE2-CZ 3.23Å; E573-R575 IonicContact OE2-NE 2.81Å; E573-R575 IonicContact OE2-NH2 2.88Å; E573-R575 PolarHBondContact OE2-NH2 3.42Å; E573-H578 PolarHBondContact O-CD2 3.45Å; E573-H578 VanDerWaalsContact O-CD2 3.25Å; E573-R580 WeakPolarHBondContact O-CG 3.2Å; E573-F583 CarbonylContact C-O 3.6Å; E573-V587 HydrophobicContact CB-CB 4.22Å; E573-V587 HydrophobicContact CB-CG2 3.89Å; E573-V587 PolarHBondContact OE2-N 3.38Å; E573-W608 HydrophobicContact CB-CB 4.09Å; E573-W608 HydrophobicContact CB-CG 4.05Å; E573-W608 HydrophobicContact CG-CB 3.54Å; E573-W608 HydrophobicContact CG-CG 3.79Å; E573-W608 WeakPolarHBondContact OE1-CB 3.24Å; E573-W608 WeakPolarHBondContact OE2-CB 3.4Å
574	S	98.8	Very high	98.6	Very high	19 Å²	19	26 Å²	26	13%	0.133	14%	0.137	C	C	.	.			trans	-118.6	122.8	164	-67.9	0	0	0	0	110.9	H578 R580 F583 P584 N585 R586	S574-H578 CarbonylContact C-O 2.99Å; S574-H578 VanDerWaalsContact CA-O 3.31Å; S574-H578 WeakPolarHBondContact CA-O 3.25Å; S574-R580 PolarHBondContact OG-N 3.5Å; S574-R580 PolarHBondContact OG-O 2.81Å; S574-F583 WeakPolarHBondContact CB-O 3.16Å; S574-F583 PolarHBondContact N-O 2.94Å; S574-F583 VanDerWaalsContact N-O 3.09Å; S574-F583 PolarHBondContact OG-O 3.27Å; S574-P584 WeakPolarHBondContact CB-O 3.48Å; S574-N585 PolarHBondContact N-O 3.4Å; S574-R586 WeakPolarHBondContact O-CA 3.18Å; S574-R586 WeakPolarHBondContact O-CB 3.28Å; S574-R586 PolarHBondContact O-N 3.01Å
575	R	98.8	Very high	98.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.008	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-146.6	128.3	-179.4	-172.8	-175.8	-61.1	-86.8	-9.2	110.3	D114 F275 A434 E573 A577 H578 R586 D588	D114-R575 HydrophobicContact CB-CG 3.76Å; D114-R575 PolarHBondContact O-NH1 2.83Å; D114-R575 WeakPolarHBondContact OD2-CA 3.05Å; D114-R575 WeakPolarHBondContact OD2-CG 3.48Å; F275-R575 HydrophobicContact CE1-CB 4.39Å; A434-R575 HydrophobicContact CB-CB 4.35Å; A434-R575 HydrophobicContact CB-CG 3.64Å; E573-R575 IonicContact OE1-CZ 3.84Å; E573-R575 IonicContact OE1-NE 2.69Å; E573-R575 PolarHBondContact OE1-NE 3.25Å; E573-R575 IonicContact OE1-NH2 3.88Å; E573-R575 IonicContact OE2-CZ 3.23Å; E573-R575 IonicContact OE2-NE 2.81Å; E573-R575 IonicContact OE2-NH2 2.88Å; E573-R575 PolarHBondContact OE2-NH2 3.42Å; R575-A577 PolarHBondContact O-N 3.24Å; R575-H578 PolarHBondContact N-O 3.18Å; R575-H578 WeakPolarHBondContact O-CB 3.35Å; R575-H578 PolarHBondContact O-N 3.32Å; R575-R586 HydrophobicContact CB-CG 4.33Å; R575-R586 HydrophobicContact CG-CG 4.32Å; R575-R586 VanDerWaalsContact CZ-CG 3.49Å; R575-R586 VanDerWaalsContact NH1-CD 3.34Å; R575-R586 VanDerWaalsContact NH2-CG 3.31Å; R575-D588 IonicContact CZ-OD1 3.79Å; R575-D588 IonicContact NH1-OD1 3.55Å; R575-D588 PolarHBondContact NH1-OD1 3.33Å; R575-D588 IonicContact NH2-OD1 3.1Å; R575-D588 PolarHBondContact NH2-OD1 2.9Å
576	G	98.7	Very high	98.5	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.031	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-123.4	179.7	0	0	0	0	0	112.8	D114 D324 R328 H578	D114-G576 PolarHBondContact OD2-N 2.8Å; D324-G576 WeakPolarHBondContact CB-O 3.35Å; R328-G576 PolarHBondContact NH1-O 2.95Å; G576-H578 VanDerWaalsContact C-N 3.27Å; G576-H578 PolarHBondContact O-N 3.47Å
577	A	98.7	Very high	98.5	Very high	8 Å²	8	34.9 Å²	34.9	7%	0.066	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.2	-179.3	0	0	0	0	0	114.5	V276 D324 M393 A434 R575	V276-A577 WeakPolarHBondContact O-CB 3.31Å; D324-A577 HydrophobicContact CB-CB 4.39Å; M393-A577 HydrophobicContact CE-CB 3.7Å; A434-A577 WeakPolarHBondContact O-CB 3.24Å; A434-A577 PolarHBondContact O-N 3.26Å; R575-A577 PolarHBondContact O-N 3.24Å
578	H	98.9	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-92.4	106.8	175	-175.8	72.1	0	0	0	109.9	F275 R512 A568 R571 E573 S574 R575 G576 R580	F275-H578 HydrophobicContact CD1-CB 3.87Å; F275-H578 HydrophobicContact CE1-CB 3.67Å; R512-H578 PolarHBondContact NH1-ND1 2.96Å; A568-H578 PolarHBondContact O-CE1 3.12Å; A568-H578 VanDerWaalsContact O-CE1 3.29Å; R571-H578 PolarHBondContact O-NE2 3.08Å; R571-H578 VanDerWaalsContact O-NE2 3.11Å; E573-H578 PolarHBondContact O-CD2 3.45Å; E573-H578 VanDerWaalsContact O-CD2 3.25Å; S574-H578 CarbonylContact C-O 2.99Å; S574-H578 VanDerWaalsContact CA-O 3.31Å; S574-H578 WeakPolarHBondContact CA-O 3.25Å; R575-H578 PolarHBondContact N-O 3.18Å; R575-H578 WeakPolarHBondContact O-CB 3.35Å; R575-H578 PolarHBondContact O-N 3.32Å; G576-H578 VanDerWaalsContact C-N 3.27Å; G576-H578 PolarHBondContact O-N 3.47Å; H578-R580 VanDerWaalsContact NE2-CG 3.26Å; H578-R580 WeakPolarHBondContact NE2-CG 3.47Å
579	A	98.7	Very high	98.5	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.4	-179.3	0	0	0	0	0	111.3	F511 R512	F511-A579 HydrophobicContact CD1-CB 4.13Å; F511-A579 HydrophobicContact CE1-CB 4.37Å; R512-A579 PolarHBondContact N-O 3.37Å
580	R	98.6	Very high	98.4	Very high	5 Å²	5	35 Å²	35	2%	0.019	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114	178	-73.3	-74.1	-64.6	-96.4	4.2	109.5	R512 A568 E569 R571 E573 S574 H578 D582 F583 P584	R512-R580 CarbonylContact O-C 3.56Å; R512-R580 VanDerWaalsContact O-CA 3.29Å; R512-R580 WeakPolarHBondContact O-CA 3.49Å; A568-R580 PolarHBondContact O-NH1 2.92Å; E569-R580 PolarHBondContact O-NH1 2.98Å; R571-R580 PolarHBondContact O-NH1 2.76Å; R571-R580 VanDerWaalsContact O-NH1 3.07Å; E573-R580 WeakPolarHBondContact O-CG 3.2Å; S574-R580 PolarHBondContact OG-N 3.5Å; S574-R580 PolarHBondContact OG-O 2.81Å; H578-R580 VanDerWaalsContact NE2-CG 3.26Å; H578-R580 WeakPolarHBondContact NE2-CG 3.47Å; R580-D582 IonicContact CZ-OD1 2.84Å; R580-D582 IonicContact CZ-OD2 2.85Å; R580-D582 IonicContact NE-OD1 3.48Å; R580-D582 PolarHBondContact NE-OD1 2.82Å; R580-D582 IonicContact NE-OD2 3.61Å; R580-D582 IonicContact NH2-OD1 3.67Å; R580-D582 PolarHBondContact NH2-OD1 2.95Å; R580-D582 IonicContact NH2-OD2 3.85Å; R580-D582 PolarHBondContact NH2-OD2 3.48Å; R580-D582 PolarHBondContact O-N 3.07Å; R580-F583 HydrophobicContact CB-CB 3.9Å; R580-F583 CarbonylContact O-C 3.57Å; R580-F583 PolarHBondContact O-N 3.42Å; R580-F583 VanDerWaalsContact O-N 3.08Å; R580-P584 WeakPolarHBondContact O-CA 3.26Å
581	E	97.6	Very high	98.4	Very high	100 Å²	100	36.8 Å²	36.8	47%	0.467	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.1	178.8	-62.7	-171.8	89.9	0	0	111.3	R335 F511 R512	R335-E581 IonicContact CZ-OE2 3.49Å; R335-E581 IonicContact NH1-OE1 2.96Å; R335-E581 PolarHBondContact NH1-OE1 2.92Å; R335-E581 IonicContact NH1-OE2 3.18Å; R335-E581 PolarHBondContact NH1-OE2 3.43Å; R335-E581 IonicContact NH2-OE2 3.37Å; F511-E581 HydrophobicContact CB-CG 4.15Å; F511-E581 WeakPolarHBondContact CB-OE2 3.33Å; F511-E581 HydrophobicContact CD1-CG 3.79Å; F511-E581 HydrophobicContact CG-CG 4.32Å; R512-E581 PolarHBondContact O-N 3.39Å
582	D	98.4	Very high	98.3	Very high	63 Å²	63	39 Å²	39	34%	0.337	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-13.2	173.4	60.5	-28.5	0	0	0	114.1	G514 R580	G514-D582 WeakPolarHBondContact CA-OD2 3.46Å; G514-D582 PolarHBondContact N-OD2 3.36Å; R580-D582 IonicContact CZ-OD1 2.84Å; R580-D582 IonicContact CZ-OD2 2.85Å; R580-D582 IonicContact NE-OD1 3.48Å; R580-D582 PolarHBondContact NE-OD1 2.82Å; R580-D582 IonicContact NE-OD2 3.61Å; R580-D582 IonicContact NH2-OD1 3.67Å; R580-D582 PolarHBondContact NH2-OD1 2.95Å; R580-D582 IonicContact NH2-OD2 3.85Å; R580-D582 PolarHBondContact NH2-OD2 3.48Å; R580-D582 PolarHBondContact O-N 3.07Å
583	F	98.4	Very high	98.1	Very high	79 Å²	79	38.8 Å²	38.8	35%	0.346	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-137.9	69.5	174	-65.3	-85.9	0	0	0	110.4	K572 E573 S574 R580 N585	K572-F583 HydrophobicContact CB-CD1 3.92Å; K572-F583 HydrophobicContact CB-CD2 3.87Å; K572-F583 HydrophobicContact CB-CE1 3.92Å; K572-F583 HydrophobicContact CB-CE2 3.88Å; K572-F583 HydrophobicContact CB-CG 3.91Å; K572-F583 HydrophobicContact CB-CZ 3.91Å; K572-F583 HydrophobicContact CD-CE1 4.37Å; K572-F583 HydrophobicContact CD-CE2 3.96Å; K572-F583 HydrophobicContact CD-CZ 3.74Å; K572-F583 HydrophobicContact CG-CD2 4.16Å; K572-F583 HydrophobicContact CG-CE2 3.8Å; K572-F583 HydrophobicContact CG-CZ 4Å; E573-F583 CarbonylContact C-O 3.6Å; S574-F583 WeakPolarHBondContact CB-O 3.16Å; S574-F583 PolarHBondContact N-O 2.94Å; S574-F583 VanDerWaalsContact N-O 3.09Å; S574-F583 PolarHBondContact OG-O 3.27Å; R580-F583 HydrophobicContact CB-CB 3.9Å; R580-F583 CarbonylContact O-C 3.57Å; R580-F583 PolarHBondContact O-N 3.42Å; R580-F583 VanDerWaalsContact O-N 3.08Å; F583-N585 PolarHBondContact O-N 2.97Å; F583-N585 VanDerWaalsContact O-N 3.16Å
584	P	97.7	Very high	98	Very high	84 Å²	84	44.8 Å²	44.8	55%	0.545	24%	0.235	S	C	.	.			trans	-72.8	-12.1	-166.5	28.8	-37	0	0	0	114.4	S574 R580	S574-P584 WeakPolarHBondContact CB-O 3.48Å; R580-P584 WeakPolarHBondContact O-CA 3.26Å
585	N	97.5	Very high	97.8	Very high	120 Å²	120	49.1 Å²	49.1	64%	0.642	26%	0.262	S	S	*	.	S	Bend	trans	-99.5	145.4	-174.9	-61.5	-44.8	0	0	0	111.4	S574 F583	S574-N585 PolarHBondContact N-O 3.4Å; F583-N585 PolarHBondContact O-N 2.97Å; F583-N585 VanDerWaalsContact O-N 3.16Å
586	R	98.3	Very high	97.6	Very high	52 Å²	52	53.1 Å²	53.1	20%	0.196	28%	0.283	C	S	.	.			trans	-71.2	136.2	166.1	-164.1	-178.4	82.4	-157.4	-4.1	109.5	D114 S574 R575 D588 K646	D114-R586 VanDerWaalsContact OD1-CD 3.25Å; D114-R586 WeakPolarHBondContact OD1-CD 3.42Å; D114-R586 IonicContact OD1-CZ 3.28Å; D114-R586 IonicContact OD1-NE 2.77Å; D114-R586 IonicContact OD1-NH1 2.84Å; D114-R586 PolarHBondContact OD1-NH1 2.94Å; S574-R586 WeakPolarHBondContact O-CA 3.18Å; S574-R586 WeakPolarHBondContact O-CB 3.28Å; S574-R586 PolarHBondContact O-N 3.01Å; R575-R586 HydrophobicContact CB-CG 4.33Å; R575-R586 HydrophobicContact CG-CG 4.32Å; R575-R586 VanDerWaalsContact CZ-CG 3.49Å; R575-R586 VanDerWaalsContact NH1-CD 3.34Å; R575-R586 VanDerWaalsContact NH2-CG 3.31Å; R586-D588 IonicContact CZ-OD2 3.89Å; R586-D588 IonicContact NE-OD1 2.74Å; R586-D588 PolarHBondContact NE-OD1 3.28Å; R586-D588 IonicContact NE-OD2 3.91Å; R586-D588 PolarHBondContact NE-OD2 3.47Å; R586-D588 IonicContact NH2-OD2 3.27Å; R586-D588 PolarHBondContact NH2-OD2 3.31Å; R586-K646 PolarHBondContact NH1-O 2.93Å; R586-K646 PolarHBondContact NH2-O 3.4Å
587	V	98.4	Very high	97.5	Very high	34 Å²	34	60.1 Å²	60.1	21%	0.206	32%	0.319	C	S	.	.			trans	-120.4	93.5	-175.9	-171.8	0	0	0	0	110	E573 H607 W608 R609	E573-V587 HydrophobicContact CB-CB 4.22Å; E573-V587 HydrophobicContact CB-CG2 3.89Å; E573-V587 PolarHBondContact OE2-N 3.38Å; V587-H607 HydrophobicContact CG1-CB 4.42Å; V587-W608 PolarHBondContact O-N 3.1Å; V587-R609 PolarHBondContact O-N 3Å
588	D	98.6	Very high	97.3	Very high	8 Å²	8	63.9 Å²	63.9	4%	0.043	36%	0.359	C	S	.	.			trans	-90.9	172.6	173.3	-49.8	-51.5	0	0	0	111.3	R575 R586 L590 Y592 K602 H607 R609	R575-D588 IonicContact CZ-OD1 3.79Å; R575-D588 IonicContact NH1-OD1 3.55Å; R575-D588 PolarHBondContact NH1-OD1 3.33Å; R575-D588 IonicContact NH2-OD1 3.1Å; R575-D588 PolarHBondContact NH2-OD1 2.9Å; R586-D588 IonicContact CZ-OD2 3.89Å; R586-D588 IonicContact NE-OD1 2.74Å; R586-D588 PolarHBondContact NE-OD1 3.28Å; R586-D588 IonicContact NE-OD2 3.91Å; R586-D588 PolarHBondContact NE-OD2 3.47Å; R586-D588 IonicContact NH2-OD2 3.27Å; R586-D588 PolarHBondContact NH2-OD2 3.31Å; D588-L590 PolarHBondContact O-N 3.46Å; D588-Y592 HydrophobicContact CB-CD2 3.78Å; D588-Y592 HydrophobicContact CB-CE2 3.78Å; D588-K602 PolarHBondContact O-NZ 3.44Å; D588-H607 WeakPolarHBondContact O-CB 3.31Å; D588-R609 HydrophobicContact CB-CB 4.43Å
589	E	98.4	Very high	97.3	Very high	24 Å²	24	66.4 Å²	66.4	11%	0.112	37%	0.371	C	S	.	.	S	Bend	trans	-62.8	-25.2	175.5	71	-73.1	179.2	0	0	112.8	Y592 P601 K602 R609	E589-Y592 WeakPolarHBondContact OE1-CE2 3.36Å; E589-Y592 PolarHBondContact OE1-OH 3.27Å; E589-P601 CarbonylContact O-C 3.1Å; E589-P601 VanDerWaalsContact O-CA 3.28Å; E589-P601 WeakPolarHBondContact O-CA 3.39Å; E589-K602 PolarHBondContact O-N 2.88Å; E589-R609 IonicContact OE1-CZ 3.28Å; E589-R609 IonicContact OE1-NE 2.81Å; E589-R609 PolarHBondContact OE1-NE 2.87Å; E589-R609 IonicContact OE1-NH2 2.77Å; E589-R609 PolarHBondContact OE1-NH2 3.12Å; E589-R609 IonicContact OE2-CZ 3.39Å; E589-R609 IonicContact OE2-NE 3.52Å; E589-R609 PolarHBondContact OE2-NE 3.45Å; E589-R609 IonicContact OE2-NH2 3.97Å
590	L	98	Very high	97.2	Very high	27 Å²	27	75.2 Å²	75.2	14%	0.141	41%	0.408	C	S	.	.	S	Bend	trans	-127.7	158.6	173.9	-68.8	169.7	0	0	0	109.8	D588 Y592 I596 Q599 P601	D588-L590 PolarHBondContact O-N 3.46Å; L590-Y592 HydrophobicContact CB-CD2 4.17Å; L590-Y592 HydrophobicContact CB-CE1 4.4Å; L590-Y592 HydrophobicContact CB-CE2 3.8Å; L590-Y592 HydrophobicContact CD1-CE1 4.41Å; L590-Y592 VanDerWaalsContact O-CD2 3.31Å; L590-Y592 WeakPolarHBondContact O-CD2 3.43Å; L590-Y592 PolarHBondContact O-N 2.73Å; L590-I596 HydrophobicContact CD1-CG2 4.5Å; L590-Q599 HydrophobicContact CD2-CB 3.6Å; L590-P601 HydrophobicContact CD2-CB 4.27Å; L590-P601 HydrophobicContact CD2-CG 4.02Å
591	D	97.3	Very high	97.1	Very high	53 Å²	53	78.7 Å²	78.7	28%	0.283	43%	0.432	S	S	.	.			trans	-85	88.1	169.7	-175.8	-3.2	0	0	0	109.6	S593 K594 Q599	D591-S593 PolarHBondContact O-N 3.1Å; D591-S593 VanDerWaalsContact O-N 3.13Å; D591-S593 WeakPolarHBondContact OD1-CB 3.31Å; D591-S593 PolarHBondContact OD1-N 3.01Å; D591-S593 VanDerWaalsContact OD1-N 3.08Å; D591-S593 PolarHBondContact OD1-OG 2.94Å; D591-K594 PolarHBondContact O-N 2.74Å; D591-K594 VanDerWaalsContact O-N 3.14Å; D591-K594 WeakPolarHBondContact OD2-CD 3.47Å; D591-K594 VanDerWaalsContact OD2-CE 3.29Å; D591-K594 WeakPolarHBondContact OD2-CE 3.34Å; D591-K594 IonicContact OD2-NZ 3.48Å; D591-K594 PolarHBondContact OD2-NZ 3.06Å; D591-Q599 PolarHBondContact O-NE2 2.88Å
592	Y	97.1	Very high	97.2	Very high	46 Å²	46	77.9 Å²	77.9	18%	0.18	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	4.2	178.9	-66.9	-80.4	0	0	0	114.2	D588 E589 L590 K594 I596 P645	D588-Y592 HydrophobicContact CB-CD2 3.78Å; D588-Y592 HydrophobicContact CB-CE2 3.78Å; E589-Y592 WeakPolarHBondContact OE1-CE2 3.36Å; E589-Y592 PolarHBondContact OE1-OH 3.27Å; L590-Y592 HydrophobicContact CB-CD2 4.17Å; L590-Y592 HydrophobicContact CB-CE1 4.4Å; L590-Y592 HydrophobicContact CB-CE2 3.8Å; L590-Y592 HydrophobicContact CD1-CE1 4.41Å; L590-Y592 VanDerWaalsContact O-CD2 3.31Å; L590-Y592 WeakPolarHBondContact O-CD2 3.43Å; L590-Y592 PolarHBondContact O-N 2.73Å; Y592-K594 VanDerWaalsContact C-N 3.31Å; Y592-I596 HydrophobicContact CD1-CG2 4.04Å; Y592-I596 HydrophobicContact CE1-CG2 4.22Å; Y592-P645 HydrophobicContact CD1-CB 4.1Å; Y592-P645 WeakPolarHBondContact CD1-O 3.5Å; Y592-P645 HydrophobicContact CD2-CB 3.59Å; Y592-P645 HydrophobicContact CD2-CG 4.27Å; Y592-P645 HydrophobicContact CE1-CB 4.1Å; Y592-P645 HydrophobicContact CE1-CG 4.25Å; Y592-P645 HydrophobicContact CE2-CB 3.56Å; Y592-P645 HydrophobicContact CE2-CG 3.71Å; Y592-P645 HydrophobicContact CG-CB 3.85Å
593	S	95.2	Very high	97.1	Very high	82 Å²	82	77.8 Å²	77.8	57%	0.573	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.3	167.5	76.7	0	0	0	0	112.8	D591	D591-S593 PolarHBondContact O-N 3.1Å; D591-S593 VanDerWaalsContact O-N 3.13Å; D591-S593 WeakPolarHBondContact OD1-CB 3.31Å; D591-S593 PolarHBondContact OD1-N 3.01Å; D591-S593 VanDerWaalsContact OD1-N 3.08Å; D591-S593 PolarHBondContact OD1-OG 2.94Å
594	K	95.7	Very high	97	Very high	126 Å²	126	76.4 Å²	76.4	55%	0.548	42%	0.423	S	S	.	.	S	Bend	trans	-124	164.4	-178.7	-64.5	175.2	-171.9	137.8	0	110.7	D591 Y592 I596	D591-K594 PolarHBondContact O-N 2.74Å; D591-K594 VanDerWaalsContact O-N 3.14Å; D591-K594 WeakPolarHBondContact OD2-CD 3.47Å; D591-K594 VanDerWaalsContact OD2-CE 3.29Å; D591-K594 WeakPolarHBondContact OD2-CE 3.34Å; D591-K594 IonicContact OD2-NZ 3.48Å; D591-K594 PolarHBondContact OD2-NZ 3.06Å; Y592-K594 VanDerWaalsContact C-N 3.31Å; K594-I596 PolarHBondContact O-N 2.94Å
595	P	95	Very high	97	Very high	109 Å²	109	78.6 Å²	78.6	71%	0.708	43%	0.426	S	S	*	.			trans	-51.8	134.3	167	-25.9	35.4	0	0	0	111.1	Q599	P595-Q599 PolarHBondContact O-NE2 2.91Å
596	I	95.3	Very high	97	Very high	87 Å²	87	79 Å²	79	45%	0.446	42%	0.424	S	S	.	.			trans	-82.5	-19.2	-175.7	60.5	172.1	0	0	0	113	L590 Y592 K594 G598 Q599	L590-I596 HydrophobicContact CD1-CG2 4.5Å; Y592-I596 HydrophobicContact CD1-CG2 4.04Å; Y592-I596 HydrophobicContact CE1-CG2 4.22Å; K594-I596 PolarHBondContact O-N 2.94Å; I596-G598 PolarHBondContact O-N 2.81Å; I596-Q599 WeakPolarHBondContact O-CB 3.45Å; I596-Q599 PolarHBondContact O-N 2.78Å
597	D	95.1	Very high	97	Very high	149 Å²	149	77.2 Å²	77.2	80%	0.797	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	125.5	-179.6	-67.4	-31.6	0	0	0	110.8	Q599	D597-Q599 VanDerWaalsContact C-N 3.27Å; D597-Q599 PolarHBondContact O-N 2.8Å
598	G	95.8	Very high	97	Very high	88 Å²	88	77.4 Å²	77.4	91%	0.907	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-4.1	-178.2	0	0	0	0	0	115.3	I596	I596-G598 PolarHBondContact O-N 2.81Å
599	Q	97.7	Very high	97	Very high	53 Å²	53	78.1 Å²	78.1	25%	0.248	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-71.4	140.8	171.2	-66.3	-166.8	32.1	0	0	111	L590 D591 P595 I596 D597	L590-Q599 HydrophobicContact CD2-CB 3.6Å; D591-Q599 PolarHBondContact O-NE2 2.88Å; P595-Q599 PolarHBondContact O-NE2 2.91Å; I596-Q599 WeakPolarHBondContact O-CB 3.45Å; I596-Q599 PolarHBondContact O-N 2.78Å; D597-Q599 VanDerWaalsContact C-N 3.27Å; D597-Q599 PolarHBondContact O-N 2.8Å
600	K	97.1	Very high	97	Very high	190 Å²	190	77.2 Å²	77.2	83%	0.826	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-93.5	123.5	170.2	-174.4	179.5	177.5	-175.9	0	108.9	K602	K600-K602 PolarHBondContact O-N 2.89Å
601	P	97.2	Very high	97	Very high	79 Å²	79	76 Å²	76	51%	0.513	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.6	136.1	174.8	-22.3	31.7	0	0	0	111.4	E589 L590	E589-P601 CarbonylContact O-C 3.1Å; E589-P601 VanDerWaalsContact O-CA 3.28Å; E589-P601 WeakPolarHBondContact O-CA 3.39Å; L590-P601 HydrophobicContact CD2-CB 4.27Å; L590-P601 HydrophobicContact CD2-CG 4.02Å
602	K	98.2	Very high	97.1	Very high	82 Å²	82	73.5 Å²	73.5	36%	0.357	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63	143.5	170.1	-63.6	176.8	-171	161.6	0	109.7	D588 E589 K600 E606 H607	D588-K602 PolarHBondContact O-NZ 3.44Å; E589-K602 PolarHBondContact O-N 2.88Å; K600-K602 PolarHBondContact O-N 2.89Å; K602-E606 HydrophobicContact CB-CB 4.22Å; K602-H607 HydrophobicContact CB-CB 4.29Å; K602-H607 HydrophobicContact CD-CB 4.25Å
603	P	97.6	Very high	97.2	Very high	62 Å²	62	71.4 Å²	71.4	40%	0.403	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-54.3	153.5	168.1	-23.8	33.6	0	0	0	112.2	E605 E606 H607	P603-E605 PolarHBondContact O-N 3.23Å; P603-E606 HydrophobicContact CB-CG 4.35Å; P603-E606 WeakPolarHBondContact CD-OE2 3.45Å; P603-E606 HydrophobicContact CG-CG 4.32Å; P603-E606 PolarHBondContact O-N 2.86Å; P603-H607 PolarHBondContact O-CD2 2.85Å; P603-H607 PolarHBondContact O-N 2.88Å
604	F	96.3	Very high	97.4	Very high	49 Å²	49	67.5 Å²	67.5	22%	0.215	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29	-178.1	-176	-109.2	0	0	0	113.2	E606 K610 P629	F604-E606 VanDerWaalsContact C-N 3.35Å; F604-K610 HydrophobicContact CD2-CD 4.39Å; F604-K610 HydrophobicContact CE1-CD 4.16Å; F604-K610 HydrophobicContact CE2-CB 3.55Å; F604-K610 HydrophobicContact CE2-CD 3.94Å; F604-K610 HydrophobicContact CE2-CG 4.39Å; F604-K610 HydrophobicContact CZ-CB 3.73Å; F604-K610 HydrophobicContact CZ-CD 3.82Å; F604-K610 HydrophobicContact CZ-CG 4.34Å; F604-K610 PolarHBondContact O-NZ 3.44Å; F604-P629 HydrophobicContact CE2-CB 4.22Å
605	E	96.2	Very high	97.5	Very high	131 Å²	131	63.6 Å²	63.6	61%	0.612	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.3	179	-60.6	70.8	-152.1	0	0	112.7	P603	P603-E605 PolarHBondContact O-N 3.23Å
606	E	98	Very high	97.7	Very high	127 Å²	127	59.1 Å²	59.1	59%	0.593	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-2.1	-173	-66.1	-178.9	-158.9	0	0	114.4	K602 P603 F604	K602-E606 HydrophobicContact CB-CB 4.22Å; P603-E606 HydrophobicContact CB-CG 4.35Å; P603-E606 WeakPolarHBondContact CD-OE2 3.45Å; P603-E606 HydrophobicContact CG-CG 4.32Å; P603-E606 PolarHBondContact O-N 2.86Å; F604-E606 VanDerWaalsContact C-N 3.35Å
607	H	98.4	Very high	97.8	Very high	16 Å²	16	58.7 Å²	58.7	7%	0.074	31%	0.309	C	S	.	.			trans	-127.5	169.2	172.1	74.6	84.8	0	0	0	112.1	V587 D588 K602 P603 R609 K610	V587-H607 HydrophobicContact CG1-CB 4.42Å; D588-H607 WeakPolarHBondContact O-CB 3.31Å; K602-H607 HydrophobicContact CB-CB 4.29Å; K602-H607 HydrophobicContact CD-CB 4.25Å; P603-H607 PolarHBondContact O-CD2 2.85Å; P603-H607 PolarHBondContact O-N 2.88Å; H607-R609 PolarHBondContact CE1-O 2.93Å; H607-R609 PolarHBondContact ND1-N 2.9Å; H607-K610 WeakPolarHBondContact O-CD 3.46Å; H607-K610 WeakPolarHBondContact O-CE 3.5Å; H607-K610 PolarHBondContact O-NZ 2.81Å
608	W	98.7	Very high	97.9	Very high	38 Å²	38	54.3 Å²	54.3	14%	0.144	29%	0.287	C	S	.	.			trans	-119.5	-1.1	-171.2	-74.6	112.4	0	0	0	114.9	A570 R571 K572 E573 V587 K610 Y627	A570-W608 WeakPolarHBondContact O-CH2 3.5Å; A570-W608 WeakPolarHBondContact O-CZ2 3.39Å; R571-W608 HydrophobicContact CB-CE3 4.4Å; R571-W608 HydrophobicContact CB-CZ3 4.25Å; R571-W608 HydrophobicContact CG-CD2 4.32Å; R571-W608 HydrophobicContact CG-CE3 4.04Å; R571-W608 HydrophobicContact CG-CZ3 4.39Å; R571-W608 PolarHBondContact NH1-O 3.46Å; K572-W608 HydrophobicContact CB-CZ2 4.21Å; K572-W608 PolarHBondContact O-NE1 3.13Å; E573-W608 HydrophobicContact CB-CB 4.09Å; E573-W608 HydrophobicContact CB-CG 4.05Å; E573-W608 HydrophobicContact CG-CB 3.54Å; E573-W608 HydrophobicContact CG-CG 3.79Å; E573-W608 WeakPolarHBondContact OE1-CB 3.24Å; E573-W608 WeakPolarHBondContact OE2-CB 3.4Å; V587-W608 PolarHBondContact O-N 3.1Å; W608-K610 PolarHBondContact O-N 2.68Å; W608-Y627 HydrophobicContact CE3-CE1 4.33Å; W608-Y627 HydrophobicContact CH2-CE1 4.41Å; W608-Y627 WeakPolarHBondContact CH2-OH 3.33Å; W608-Y627 HydrophobicContact CZ3-CD1 4.45Å; W608-Y627 AromaticContact CZ3-CE1 3.54Å; W608-Y627 HydrophobicContact CZ3-CE1 3.54Å; W608-Y627 AromaticContact CZ3-CZ 3.61Å; W608-Y627 WeakPolarHBondContact CZ3-OH 3.38Å
609	R	98.7	Very high	97.8	Very high	22 Å²	22	59.2 Å²	59.2	8%	0.083	28%	0.283	C	S	.	.			trans	-68.1	69.1	165.9	-159.3	173	75.2	89.7	-4.8	112.3	W115 V587 D588 E589 H607 V630 D632	W115-R609 WeakPolarHBondContact O-CG 3.35Å; V587-R609 PolarHBondContact O-N 3Å; D588-R609 HydrophobicContact CB-CB 4.43Å; E589-R609 IonicContact OE1-CZ 3.28Å; E589-R609 IonicContact OE1-NE 2.81Å; E589-R609 PolarHBondContact OE1-NE 2.87Å; E589-R609 IonicContact OE1-NH2 2.77Å; E589-R609 PolarHBondContact OE1-NH2 3.12Å; E589-R609 IonicContact OE2-CZ 3.39Å; E589-R609 IonicContact OE2-NE 3.52Å; E589-R609 PolarHBondContact OE2-NE 3.45Å; E589-R609 IonicContact OE2-NH2 3.97Å; H607-R609 PolarHBondContact CE1-O 2.93Å; H607-R609 PolarHBondContact ND1-N 2.9Å; R609-V630 HydrophobicContact CG-CG2 4.31Å; R609-D632 IonicContact CZ-OD1 2.91Å; R609-D632 IonicContact CZ-OD2 2.77Å; R609-D632 VanDerWaalsContact CZ-OD2 3.28Å; R609-D632 IonicContact NH1-OD1 3.55Å; R609-D632 PolarHBondContact NH1-OD1 3.49Å; R609-D632 IonicContact NH1-OD2 3.82Å; R609-D632 PolarHBondContact NH1-OD2 3.48Å; R609-D632 IonicContact NH2-OD2 3.66Å; R609-D632 PolarHBondContact NH2-OD2 3.4Å
610	K	98.4	Very high	97.7	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	144.6	-175.7	63.7	-165.5	-177.3	-161.9	0	108.8	L116 R571 F604 H607 W608 Y627 R628	L116-K610 WeakPolarHBondContact CD1-O 3.41Å; R571-K610 PolarHBondContact NH2-O 3.49Å; F604-K610 HydrophobicContact CD2-CD 4.39Å; F604-K610 HydrophobicContact CE1-CD 4.16Å; F604-K610 HydrophobicContact CE2-CB 3.55Å; F604-K610 HydrophobicContact CE2-CD 3.94Å; F604-K610 HydrophobicContact CE2-CG 4.39Å; F604-K610 HydrophobicContact CZ-CB 3.73Å; F604-K610 HydrophobicContact CZ-CD 3.82Å; F604-K610 HydrophobicContact CZ-CG 4.34Å; F604-K610 PolarHBondContact O-NZ 3.44Å; H607-K610 WeakPolarHBondContact O-CD 3.46Å; H607-K610 WeakPolarHBondContact O-CE 3.5Å; H607-K610 PolarHBondContact O-NZ 2.81Å; W608-K610 PolarHBondContact O-N 2.68Å; K610-Y627 HydrophobicContact CD-CD1 4.07Å; K610-Y627 HydrophobicContact CD-CG 3.86Å; K610-Y627 HydrophobicContact CG-CD1 3.91Å; K610-Y627 HydrophobicContact CG-CG 4.14Å; K610-R628 CarbonylContact C-O 3.58Å; K610-R628 WeakPolarHBondContact CA-O 3.31Å; K610-R628 WeakPolarHBondContact CB-O 3.19Å
611	H	98.8	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.9	176.8	-57.5	-84.6	0	0	0	110.5	L116 D118 Q271 D272 Y627 R628	L116-H611 PolarHBondContact O-CE1 3.13Å; D118-H611 IonicContact OD1-NE2 3.4Å; D118-H611 PolarHBondContact OD1-NE2 3Å; D118-H611 IonicContact OD2-CE1 3.88Å; D118-H611 IonicContact OD2-NE2 2.72Å; D118-H611 PolarHBondContact OD2-NE2 3.42Å; Q271-H611 HydrophobicContact CG-CB 3.74Å; D272-H611 WeakPolarHBondContact OD1-CA 3.49Å; D272-H611 WeakPolarHBondContact OD1-CB 3.31Å; D272-H611 IonicContact OD1-CG 2.93Å; D272-H611 IonicContact OD1-ND1 3.57Å; D272-H611 IonicContact OD2-CE1 3.8Å; D272-H611 IonicContact OD2-CG 3.19Å; D272-H611 IonicContact OD2-ND1 3.26Å; D272-H611 PolarHBondContact OD2-ND1 3.02Å; H611-Y627 VanDerWaalsContact O-CA 3.23Å; H611-Y627 WeakPolarHBondContact O-CA 3.44Å; H611-R628 HydrophobicContact CB-CG 3.8Å; H611-R628 VanDerWaalsContact CD2-CZ 3.43Å; H611-R628 PolarHBondContact N-O 3.21Å; H611-R628 PolarHBondContact O-N 3.06Å; H611-R628 VanDerWaalsContact O-N 3.16Å
612	T	98.8	Very high	97.8	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129	169.9	-61.1	0	0	0	0	108.4	Q271 D272 E274 R571 L625 Y627	Q271-T612 CarbonylContact C-O 3.55Å; Q271-T612 WeakPolarHBondContact CA-O 3.46Å; D272-T612 PolarHBondContact N-O 3.11Å; D272-T612 PolarHBondContact OD1-N 3.42Å; E274-T612 VanDerWaalsContact OE1-CB 3.31Å; E274-T612 WeakPolarHBondContact OE1-CB 3.38Å; E274-T612 PolarHBondContact OE1-OG1 2.85Å; R571-T612 PolarHBondContact NH2-OG1 3.33Å; T612-L625 HydrophobicContact CG2-CD1 4.49Å; T612-L625 HydrophobicContact CG2-CD2 3.91Å; T612-Y627 HydrophobicContact CG2-CE1 4.32Å
613	L	98.8	Very high	97.8	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.4	168.1	-61.6	178.3	0	0	0	108.4	P269 N270 Q271 P397 Y407 Y615 L625 E626 R628	P269-L613 HydrophobicContact CB-CB 4.14Å; P269-L613 HydrophobicContact CB-CD2 4.28Å; N270-L613 CarbonylContact O-C 3.54Å; N270-L613 WeakPolarHBondContact O-CA 3.46Å; Q271-L613 HydrophobicContact CB-CD2 4.04Å; Q271-L613 HydrophobicContact CG-CD2 4.08Å; P397-L613 HydrophobicContact CG-CD2 4.46Å; Y407-L613 VanDerWaalsContact CB-CD1 3.46Å; Y407-L613 HydrophobicContact CD1-CD1 3.88Å; Y407-L613 HydrophobicContact CD2-CD1 4Å; Y407-L613 HydrophobicContact CG-CD1 3.52Å; L613-Y615 HydrophobicContact CB-CE2 4.34Å; L613-L625 CarbonylContact O-C 3.46Å; L613-L625 WeakPolarHBondContact O-CA 3.23Å; L613-E626 HydrophobicContact CB-CB 4.23Å; L613-E626 PolarHBondContact N-O 3.47Å; L613-E626 PolarHBondContact O-N 2.96Å; L613-R628 HydrophobicContact CD1-CB 4.13Å; L613-R628 HydrophobicContact CD1-CG 4.17Å; L613-R628 HydrophobicContact CD2-CG 4.21Å; L613-R628 HydrophobicContact CG-CG 4.2Å
614	S	98.9	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.3	-179.7	58.8	0	0	0	0	111.3	P269 N270 Q563	P269-S614 WeakPolarHBondContact CA-O 3.36Å; N270-S614 PolarHBondContact N-O 3.18Å; N270-S614 PolarHBondContact O-N 3.29Å; N270-S614 PolarHBondContact O-OG 3.19Å; Q563-S614 PolarHBondContact NE2-O 3.1Å
615	Y	98.7	Very high	97.9	Very high	43 Å²	43	49.9 Å²	49.9	17%	0.169	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153.4	171.9	-59.8	-96.2	0	0	0	108.5	P269 L613 V623 K624 E626	P269-Y615 HydrophobicContact CB-CD1 4.26Å; P269-Y615 HydrophobicContact CB-CD2 4.46Å; P269-Y615 HydrophobicContact CB-CE1 3.73Å; P269-Y615 HydrophobicContact CB-CE2 3.95Å; P269-Y615 HydrophobicContact CG-CE1 3.98Å; L613-Y615 HydrophobicContact CB-CE2 4.34Å; Y615-V623 CarbonylContact O-C 3.59Å; Y615-V623 VanDerWaalsContact O-CA 3.32Å; Y615-V623 WeakPolarHBondContact O-CA 3.42Å; Y615-K624 PolarHBondContact N-O 3.29Å; Y615-K624 PolarHBondContact O-N 2.98Å; Y615-E626 HydrophobicContact CE2-CB 4.33Å; Y615-E626 HydrophobicContact CE2-CG 4.14Å
616	Q	98.2	Very high	98	Very high	15 Å²	15	45.2 Å²	45.2	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.7	177.9	-165.2	172.9	6.7	0	0	111.6	T264 L559 V618 G621 A622 V623	T264-Q616 HydrophobicContact CG2-CB 3.63Å; L559-Q616 VanDerWaalsContact CA-OE1 3.22Å; L559-Q616 VanDerWaalsContact CD2-CD 3.45Å; L559-Q616 HydrophobicContact CD2-CG 4.28Å; L559-Q616 PolarHBondContact O-OE1 2.82Å; Q616-V618 PolarHBondContact O-N 3.32Å; Q616-G621 WeakPolarHBondContact CG-O 3.36Å; Q616-G621 PolarHBondContact NE2-O 2.96Å; Q616-A622 CarbonylContact C-O 3.57Å; Q616-A622 VanDerWaalsContact CA-O 3.3Å; Q616-A622 WeakPolarHBondContact CA-O 3.22Å; Q616-A622 WeakPolarHBondContact CG-O 3.23Å; Q616-V623 HydrophobicContact CB-CG2 4.45Å; Q616-V623 HydrophobicContact CG-CG2 3.95Å
617	D	97.9	Very high	97.9	Very high	79 Å²	79	41.7 Å²	41.7	42%	0.422	21%	0.207	S	C	.	.			trans	-75.7	112.4	166.6	177.4	-69.8	0	0	0	108.4	K619 T620 G621 A622	D617-K619 PolarHBondContact O-N 2.82Å; D617-K619 WeakPolarHBondContact OD1-CA 3.43Å; D617-K619 WeakPolarHBondContact OD1-CB 3.43Å; D617-K619 PolarHBondContact OD1-N 3.36Å; D617-T620 WeakPolarHBondContact CB-OG1 3.34Å; D617-T620 VanDerWaalsContact CG-OG1 3.26Å; D617-T620 PolarHBondContact O-N 2.97Å; D617-T620 PolarHBondContact OD1-N 2.58Å; D617-T620 PolarHBondContact OD1-OG1 2.73Å; D617-G621 CarbonylContact O-C 3.47Å; D617-G621 WeakPolarHBondContact O-CA 3.36Å; D617-G621 PolarHBondContact O-N 3.19Å; D617-A622 PolarHBondContact N-O 3.38Å
618	V	96.8	Very high	97.8	Very high	57 Å²	57	41.7 Å²	41.7	35%	0.345	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.8	-173.2	-178.4	0	0	0	0	112.2	R265 Y528 Q616	R265-V618 HydrophobicContact CB-CG2 4.48Å; R265-V618 HydrophobicContact CG-CG1 4.39Å; R265-V618 HydrophobicContact CG-CG2 3.88Å; Y528-V618 PolarHBondContact OH-O 2.82Å; Q616-V618 PolarHBondContact O-N 3.32Å
619	K	95.1	Very high	97.7	Very high	190 Å²	190	42.7 Å²	42.7	83%	0.826	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-43.1	-178.6	-65.3	-176.7	179.6	177.8	0	111.6	D617	D617-K619 PolarHBondContact O-N 2.82Å; D617-K619 WeakPolarHBondContact OD1-CA 3.43Å; D617-K619 WeakPolarHBondContact OD1-CB 3.43Å; D617-K619 PolarHBondContact OD1-N 3.36Å
620	T	95.7	Very high	97.7	Very high	87 Å²	87	42.4 Å²	42.4	53%	0.534	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-21.1	-175.4	61	0	0	0	0	112.9	D617 A622	D617-T620 WeakPolarHBondContact CB-OG1 3.34Å; D617-T620 VanDerWaalsContact CG-OG1 3.26Å; D617-T620 PolarHBondContact O-N 2.97Å; D617-T620 PolarHBondContact OD1-N 2.58Å; D617-T620 PolarHBondContact OD1-OG1 2.73Å; T620-A622 PolarHBondContact O-N 3.21Å; T620-A622 WeakPolarHBondContact OG1-CB 3.33Å; T620-A622 PolarHBondContact OG1-N 3.35Å
621	G	96.7	Very high	97.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.			trans	80	-5.3	-170.7	0	0	0	0	0	113.8	Y525 Q616 D617 V623	Y525-G621 WeakPolarHBondContact CE1-O 3.42Å; Q616-G621 WeakPolarHBondContact CG-O 3.36Å; Q616-G621 PolarHBondContact NE2-O 2.96Å; D617-G621 CarbonylContact O-C 3.47Å; D617-G621 WeakPolarHBondContact O-CA 3.36Å; D617-G621 PolarHBondContact O-N 3.19Å; G621-V623 PolarHBondContact O-N 3.2Å
622	A	98.1	Very high	97.6	Very high	50 Å²	50	47.1 Å²	47.1	41%	0.413	24%	0.244	S	C	.	.			trans	-60.1	131.8	-174.7	0	0	0	0	0	111.7	Q616 D617 T620	Q616-A622 CarbonylContact C-O 3.57Å; Q616-A622 VanDerWaalsContact CA-O 3.3Å; Q616-A622 WeakPolarHBondContact CA-O 3.22Å; Q616-A622 WeakPolarHBondContact CG-O 3.23Å; D617-A622 PolarHBondContact N-O 3.38Å; T620-A622 PolarHBondContact O-N 3.21Å; T620-A622 WeakPolarHBondContact OG1-CB 3.33Å; T620-A622 PolarHBondContact OG1-N 3.35Å
623	V	98.8	Very high	97.6	Very high	23 Å²	23	50.2 Å²	50.2	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.2	-179.2	176.8	0	0	0	0	108.8	Y525 L562 Q563 V566 Y615 Q616 G621 L625	Y525-V623 WeakPolarHBondContact OH-CB 3.32Å; Y525-V623 PolarHBondContact OH-N 2.87Å; L562-V623 HydrophobicContact CB-CG2 4.03Å; Q563-V623 HydrophobicContact CG-CG1 4.5Å; Q563-V623 HydrophobicContact CG-CG2 4.46Å; V566-V623 HydrophobicContact CB-CB 4.17Å; V566-V623 HydrophobicContact CB-CG1 4.04Å; V566-V623 HydrophobicContact CB-CG2 4.49Å; V566-V623 HydrophobicContact CG1-CB 3.96Å; V566-V623 HydrophobicContact CG1-CG1 3.81Å; V566-V623 HydrophobicContact CG2-CB 4.17Å; V566-V623 HydrophobicContact CG2-CG2 4.18Å; Y615-V623 CarbonylContact O-C 3.59Å; Y615-V623 VanDerWaalsContact O-CA 3.32Å; Y615-V623 WeakPolarHBondContact O-CA 3.42Å; Q616-V623 HydrophobicContact CB-CG2 4.45Å; Q616-V623 HydrophobicContact CG-CG2 3.95Å; G621-V623 PolarHBondContact O-N 3.2Å; V623-L625 HydrophobicContact CG1-CD2 3.85Å
624	K	98.3	Very high	97.6	Very high	120 Å²	120	51 Å²	51	52%	0.522	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.2	172	179	-173.6	169.3	-159.7	0	108.7	Y615 E626	Y615-K624 PolarHBondContact N-O 3.29Å; Y615-K624 PolarHBondContact O-N 2.98Å; K624-E626 WeakPolarHBondContact CE-OE1 3.34Å; K624-E626 IonicContact NZ-OE1 3.62Å; K624-E626 PolarHBondContact NZ-OE1 2.9Å
625	L	98.4	Very high	97.6	Very high	39 Å²	39	54.1 Å²	54.1	20%	0.204	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.9	176.9	-56.6	-177.9	0	0	0	111.2	V566 A570 T612 L613 V623	V566-L625 HydrophobicContact CG1-CD1 4.2Å; V566-L625 HydrophobicContact CG1-CG 4.35Å; A570-L625 HydrophobicContact CB-CD1 3.33Å; T612-L625 HydrophobicContact CG2-CD1 4.49Å; T612-L625 HydrophobicContact CG2-CD2 3.91Å; L613-L625 CarbonylContact O-C 3.46Å; L613-L625 WeakPolarHBondContact O-CA 3.23Å; V623-L625 HydrophobicContact CG1-CD2 3.85Å
626	E	97	Very high	97.6	Very high	34 Å²	34	55.2 Å²	55.2	16%	0.159	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	175.1	166.8	-64.1	-177.5	173.9	0	0	108.6	L613 Y615 K624	L613-E626 HydrophobicContact CB-CB 4.23Å; L613-E626 PolarHBondContact N-O 3.47Å; L613-E626 PolarHBondContact O-N 2.96Å; Y615-E626 HydrophobicContact CE2-CB 4.33Å; Y615-E626 HydrophobicContact CE2-CG 4.14Å; K624-E626 WeakPolarHBondContact CE-OE1 3.34Å; K624-E626 IonicContact NZ-OE1 3.62Å; K624-E626 PolarHBondContact NZ-OE1 2.9Å
627	Y	96.9	Very high	97.5	Very high	52 Å²	52	57.9 Å²	57.9	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.8	179.7	-56	-80.4	0	0	0	111.4	Y407 W608 K610 H611 T612	Y407-Y627 PolarHBondContact OH-O 3.34Å; W608-Y627 HydrophobicContact CE3-CE1 4.33Å; W608-Y627 HydrophobicContact CH2-CE1 4.41Å; W608-Y627 WeakPolarHBondContact CH2-OH 3.33Å; W608-Y627 HydrophobicContact CZ3-CD1 4.45Å; W608-Y627 AromaticContact CZ3-CE1 3.54Å; W608-Y627 HydrophobicContact CZ3-CE1 3.54Å; W608-Y627 AromaticContact CZ3-CZ 3.61Å; W608-Y627 WeakPolarHBondContact CZ3-OH 3.38Å; K610-Y627 HydrophobicContact CD-CD1 4.07Å; K610-Y627 HydrophobicContact CD-CG 3.86Å; K610-Y627 HydrophobicContact CG-CD1 3.91Å; K610-Y627 HydrophobicContact CG-CG 4.14Å; H611-Y627 VanDerWaalsContact O-CA 3.23Å; H611-Y627 WeakPolarHBondContact O-CA 3.44Å; T612-Y627 HydrophobicContact CG2-CE1 4.32Å
628	R	97.1	Very high	97.5	Very high	16 Å²	16	63.6 Å²	63.6	6%	0.06	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151	170.6	65.4	153.6	-86.5	-123.7	-3.9	111.5	D118 Y407 K610 H611 L613	D118-R628 IonicContact OD1-CZ 3.26Å; D118-R628 IonicContact OD1-NH1 3.3Å; D118-R628 IonicContact OD1-NH2 2.99Å; D118-R628 PolarHBondContact OD1-NH2 2.9Å; D118-R628 IonicContact OD2-CZ 2.83Å; D118-R628 IonicContact OD2-NH1 3.52Å; D118-R628 PolarHBondContact OD2-NH1 3.11Å; D118-R628 IonicContact OD2-NH2 3.57Å; D118-R628 PolarHBondContact OD2-NH2 3.28Å; Y407-R628 HydrophobicContact CD2-CB 3.93Å; Y407-R628 HydrophobicContact CE2-CB 3.57Å; K610-R628 CarbonylContact C-O 3.58Å; K610-R628 WeakPolarHBondContact CA-O 3.31Å; K610-R628 WeakPolarHBondContact CB-O 3.19Å; H611-R628 HydrophobicContact CB-CG 3.8Å; H611-R628 VanDerWaalsContact CD2-CZ 3.43Å; H611-R628 PolarHBondContact N-O 3.21Å; H611-R628 PolarHBondContact O-N 3.06Å; H611-R628 VanDerWaalsContact O-N 3.16Å; L613-R628 HydrophobicContact CD1-CB 4.13Å; L613-R628 HydrophobicContact CD1-CG 4.17Å; L613-R628 HydrophobicContact CD2-CG 4.21Å; L613-R628 HydrophobicContact CG-CG 4.2Å
629	P	96.4	Very high	97.4	Very high	59 Å²	59	63.4 Å²	63.4	38%	0.383	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	150.7	175.3	28.1	-35.1	0	0	0	111.9	F604	F604-P629 HydrophobicContact CE2-CB 4.22Å
630	V	97.9	Very high	97.5	Very high	16 Å²	16	54.6 Å²	54.6	10%	0.097	31%	0.309	C	S	.	.			trans	-70.3	144.3	166.6	-177.3	0	0	0	0	109.1	L116 R609	L116-V630 HydrophobicContact CD1-CG2 3.87Å; R609-V630 HydrophobicContact CG-CG2 4.31Å
631	I	97.8	Very high	97.6	Very high	60 Å²	60	54.4 Å²	54.4	31%	0.308	31%	0.309	S	S	.	.			trans	-90.4	101.7	173.4	-62.3	163	0	0	0	108.6	D118 Q119 D120 A633	D118-I631 CarbonylContact C-O 3.55Å; D118-I631 HydrophobicContact CB-CB 4.21Å; D118-I631 WeakPolarHBondContact OD1-CB 3.3Å; D118-I631 PolarHBondContact OD1-N 3.1Å; Q119-I631 PolarHBondContact N-O 2.8Å; D120-I631 HydrophobicContact CB-CG2 4.3Å; I631-A633 HydrophobicContact CG2-CB 4.43Å
632	D	98.4	Very high	97.7	Very high	45 Å²	45	56.8 Å²	56.8	24%	0.241	33%	0.325	C	S	.	.			trans	-81.4	-20.7	176.3	-73	-42.3	0	0	0	113.2	Q119 R609 S642	Q119-D632 PolarHBondContact NE2-OD1 2.9Å; R609-D632 IonicContact CZ-OD1 2.91Å; R609-D632 IonicContact CZ-OD2 2.77Å; R609-D632 VanDerWaalsContact CZ-OD2 3.28Å; R609-D632 IonicContact NH1-OD1 3.55Å; R609-D632 PolarHBondContact NH1-OD1 3.49Å; R609-D632 IonicContact NH1-OD2 3.82Å; R609-D632 PolarHBondContact NH1-OD2 3.48Å; R609-D632 IonicContact NH2-OD2 3.66Å; R609-D632 PolarHBondContact NH2-OD2 3.4Å; D632-S642 VanDerWaalsContact O-CB 3.22Å; D632-S642 WeakPolarHBondContact O-CB 3.34Å; D632-S642 PolarHBondContact O-OG 3.41Å
633	A	98.1	Very high	97.7	Very high	66 Å²	66	55.4 Å²	55.4	55%	0.545	31%	0.312	S	S	.	.			trans	-67.4	136.9	-179.9	0	0	0	0	0	110.6	D120 I631	D120-A633 WeakPolarHBondContact CB-O 3.48Å; D120-A633 PolarHBondContact N-O 3.29Å; D120-A633 VanDerWaalsContact N-O 3.14Å; I631-A633 HydrophobicContact CG2-CB 4.43Å
634	T	98.7	Very high	97.6	Very high	19 Å²	19	58.3 Å²	58.3	12%	0.117	33%	0.331	C	S	.	.			trans	-91.1	169.9	173.1	71	0	0	0	0	110.2	M106 Q119 D636 A637 C640	M106-T634 HydrophobicContact CE-CG2 3.51Å; Q119-T634 HydrophobicContact CB-CG2 4.26Å; T634-D636 VanDerWaalsContact C-N 3.28Å; T634-D636 PolarHBondContact O-N 3.18Å; T634-D636 PolarHBondContact OG1-O 2.96Å; T634-A637 PolarHBondContact OG1-N 2.72Å; T634-C640 WeakPolarHBondContact CB-O 3.41Å; T634-C640 VanDerWaalsContact CG2-O 3.32Å; T634-C640 WeakPolarHBondContact CG2-O 3.4Å; T634-C640 PolarHBondContact OG1-O 2.89Å
635	L	98.5	Very high	97.6	Very high	67 Å²	67	53 Å²	53	35%	0.351	31%	0.309	S	S	.	.	S	Bend	trans	-66.7	-29.9	178.6	-65.1	-178.4	0	0	0	113.5	D120 H123 Y124 Y400	D120-L635 HydrophobicContact CB-CD2 3.92Å; D120-L635 HydrophobicContact CB-CG 4.37Å; H123-L635 HydrophobicContact CB-CG 4.46Å; H123-L635 PolarHBondContact ND1-N 3.39Å; Y124-L635 HydrophobicContact CD2-CD1 4.05Å; Y124-L635 HydrophobicContact CG-CD1 4.47Å; Y400-L635 HydrophobicContact CD1-CD2 4.13Å; Y400-L635 HydrophobicContact CD2-CD1 4.33Å; Y400-L635 HydrophobicContact CD2-CD2 4.14Å; Y400-L635 HydrophobicContact CE1-CD2 3.86Å; Y400-L635 HydrophobicContact CE2-CD1 4.16Å; Y400-L635 HydrophobicContact CE2-CD2 3.85Å; Y400-L635 HydrophobicContact CG-CD2 4.27Å
636	D	98.1	Very high	97.4	Very high	66 Å²	66	55.2 Å²	55.2	35%	0.353	32%	0.317	S	S	.	.			trans	-147.6	104.4	173.1	173.6	22.1	0	0	0	110.1	T634 K638 S639 C640	T634-D636 VanDerWaalsContact C-N 3.28Å; T634-D636 PolarHBondContact O-N 3.18Å; T634-D636 PolarHBondContact OG1-O 2.96Å; D636-K638 PolarHBondContact O-N 3.29Å; D636-K638 WeakPolarHBondContact OD1-CB 3.3Å; D636-K638 PolarHBondContact OD1-N 3.31Å; D636-S639 WeakPolarHBondContact CB-OG 3.36Å; D636-S639 VanDerWaalsContact CG-OG 3.24Å; D636-S639 PolarHBondContact O-N 2.9Å; D636-S639 PolarHBondContact O-OG 2.74Å; D636-S639 VanDerWaalsContact OD2-CB 3.24Å; D636-S639 WeakPolarHBondContact OD2-CB 3.27Å; D636-S639 PolarHBondContact OD2-N 2.91Å; D636-S639 PolarHBondContact OD2-OG 2.64Å; D636-C640 CarbonylContact O-C 3.45Å; D636-C640 PolarHBondContact O-N 2.77Å; D636-C640 VanDerWaalsContact O-O 3.13Å
637	A	97.2	Very high	97.3	Very high	70 Å²	70	59.3 Å²	59.3	58%	0.579	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.5	-179.7	0	0	0	0	0	113.6	T634	T634-A637 PolarHBondContact OG1-N 2.72Å
638	K	96.9	Very high	97.3	Very high	199 Å²	199	58.4 Å²	58.4	87%	0.865	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-44.2	178.2	-65	-178.4	179.2	178.5	0	111.6	D636	D636-K638 PolarHBondContact O-N 3.29Å; D636-K638 WeakPolarHBondContact OD1-CB 3.3Å; D636-K638 PolarHBondContact OD1-N 3.31Å
639	S	95.2	Very high	97.1	Very high	53 Å²	53	61.8 Å²	61.8	37%	0.371	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-33.3	179.5	57.2	0	0	0	0	112.8	D636	D636-S639 WeakPolarHBondContact CB-OG 3.36Å; D636-S639 VanDerWaalsContact CG-OG 3.24Å; D636-S639 PolarHBondContact O-N 2.9Å; D636-S639 PolarHBondContact O-OG 2.74Å; D636-S639 VanDerWaalsContact OD2-CB 3.24Å; D636-S639 WeakPolarHBondContact OD2-CB 3.27Å; D636-S639 PolarHBondContact OD2-N 2.91Å; D636-S639 PolarHBondContact OD2-OG 2.64Å
640	C	97.7	Very high	97.1	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.041	35%	0.345	C	S	.	.	S	Bend	trans	-143.1	92.8	179.8	-165	0	0	0	0	110.3	W102 M106 T634 D636	W102-C640 HydrophobicContact CH2-CB 3.61Å; W102-C640 HydrophobicContact CZ2-CB 4.42Å; W102-C640 HydrophobicContact CZ3-CB 4.25Å; M106-C640 PolarHBondContact SD-SG 3.33Å; T634-C640 WeakPolarHBondContact CB-O 3.41Å; T634-C640 VanDerWaalsContact CG2-O 3.32Å; T634-C640 WeakPolarHBondContact CG2-O 3.4Å; T634-C640 PolarHBondContact OG1-O 2.89Å; D636-C640 CarbonylContact O-C 3.45Å; D636-C640 PolarHBondContact O-N 2.77Å; D636-C640 VanDerWaalsContact O-O 3.13Å
641	P	97.6	Very high	97	Very high	83 Å²	83	62.4 Å²	62.4	54%	0.539	36%	0.357	S	S	.	.			trans	-66.1	153.7	178.4	27.4	-34.3	0	0	0	111.5
642	S	98.1	Very high	97	Very high	49 Å²	49	62.5 Å²	62.5	34%	0.343	36%	0.36	S	S	.	.			trans	-57.8	143.3	173.9	-176.1	0	0	0	0	111.4	Q119 D632 P644	Q119-S642 PolarHBondContact NE2-OG 3.04Å; Q119-S642 VanDerWaalsContact NE2-OG 3.16Å; Q119-S642 PolarHBondContact OE1-OG 3.46Å; D632-S642 VanDerWaalsContact O-CB 3.22Å; D632-S642 WeakPolarHBondContact O-CB 3.34Å; D632-S642 PolarHBondContact O-OG 3.41Å; S642-P644 WeakPolarHBondContact O-CD 3.46Å
643	V	98.2	Very high	96.9	Very high	21 Å²	21	63.4 Å²	63.4	13%	0.127	37%	0.366	C	S	.	.			trans	-95.4	110.4	174.9	-178.1	0	0	0	0	108.7	Y107 V110 W115 Q119	Y107-V643 HydrophobicContact CD2-CG1 3.85Å; Y107-V643 HydrophobicContact CD2-CG2 4.21Å; Y107-V643 HydrophobicContact CE2-CG1 4.13Å; V110-V643 HydrophobicContact CB-CB 4.42Å; V110-V643 HydrophobicContact CG1-CB 4.02Å; V110-V643 HydrophobicContact CG1-CG1 4.36Å; W115-V643 PolarHBondContact NE1-O 3.12Å; Q119-V643 PolarHBondContact NE2-O 3.42Å
644	P	97.3	Very high	96.8	Very high	85 Å²	85	63.3 Å²	63.3	55%	0.552	36%	0.356	S	S	*	.			trans	-68.3	154.1	-178.8	28.4	-35	0	0	0	111.6	W115 S642	W115-P644 PolarHBondContact NE1-O 2.98Å; S642-P644 WeakPolarHBondContact O-CD 3.46Å
645	P	97.9	Very high	96.7	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.052	37%	0.371	C	S	.	.			trans	-55.1	141.7	171.1	-23.1	33.1	0	0	0	112.7	W115 Y592	W115-P645 HydrophobicContact CB-CB 4.33Å; W115-P645 HydrophobicContact CB-CG 4.13Å; W115-P645 HydrophobicContact CD2-CB 4.16Å; W115-P645 HydrophobicContact CG-CB 3.94Å; W115-P645 HydrophobicContact CG-CG 4Å; Y592-P645 HydrophobicContact CD1-CB 4.1Å; Y592-P645 WeakPolarHBondContact CD1-O 3.5Å; Y592-P645 HydrophobicContact CD2-CB 3.59Å; Y592-P645 HydrophobicContact CD2-CG 4.27Å; Y592-P645 HydrophobicContact CE1-CB 4.1Å; Y592-P645 HydrophobicContact CE1-CG 4.25Å; Y592-P645 HydrophobicContact CE2-CB 3.56Å; Y592-P645 HydrophobicContact CE2-CG 3.71Å; Y592-P645 HydrophobicContact CG-CB 3.85Å
646	K	95.5	Very high	96.6	Very high	85 Å²	85	66 Å²	66	37%	0.37	37%	0.372	S	S	.	.			trans	-147.7	175.7	171	59.5	174.9	176.1	-172.4	0	110.6	Y107 W115 R586 R648	Y107-K646 VanDerWaalsContact OH-CE 3.32Å; Y107-K646 WeakPolarHBondContact OH-CE 3.33Å; Y107-K646 PolarHBondContact OH-NZ 3.11Å; W115-K646 HydrophobicContact CH2-CB 4.47Å; W115-K646 HydrophobicContact CH2-CG 3.54Å; W115-K646 WeakPolarHBondContact CH2-O 3.19Å; W115-K646 HydrophobicContact CZ2-CB 4.38Å; W115-K646 HydrophobicContact CZ2-CD 4.45Å; W115-K646 HydrophobicContact CZ2-CG 3.4Å; W115-K646 WeakPolarHBondContact CZ3-O 3.26Å; R586-K646 PolarHBondContact NH1-O 2.93Å; R586-K646 PolarHBondContact NH2-O 3.4Å; K646-R648 PolarHBondContact O-N 2.99Å
647	L	94.7	Very high	96.5	Very high	121 Å²	121	66 Å²	66	63%	0.634	37%	0.373	S	S	*	.			trans	-59.1	135	171	-166.2	69.6	0	0	0	110.5	T649	L647-T649 HydrophobicContact CD2-CG2 4.17Å; L647-T649 HydrophobicContact CG-CG2 4.25Å
648	R	96.7	Very high	96.4	Very high	32 Å²	32	65.7 Å²	65.7	12%	0.121	36%	0.357	C	S	.	.			trans	-104.7	99.4	-177.4	-163.9	172.4	167.6	-95.9	11	111.3	K111 G112 D114 W115 S322 D324 N435 K646 Y650	K111-R648 HydrophobicContact CG-CG 4.34Å; K111-R648 VanDerWaalsContact O-CD 3.25Å; K111-R648 WeakPolarHBondContact O-CD 3.31Å; K111-R648 PolarHBondContact O-NE 3.12Å; G112-R648 PolarHBondContact O-NH2 2.88Å; D114-R648 VanDerWaalsContact CG-CD 3.47Å; D114-R648 WeakPolarHBondContact OD1-CD 3.35Å; W115-R648 HydrophobicContact CH2-CB 4.38Å; W115-R648 HydrophobicContact CZ3-CB 3.92Å; W115-R648 HydrophobicContact CZ3-CG 4.24Å; S322-R648 VanDerWaalsContact CB-NH2 3.28Å; S322-R648 PolarHBondContact OG-NH1 2.94Å; S322-R648 PolarHBondContact OG-NH2 3.45Å; S322-R648 VanDerWaalsContact OG-NH2 3.08Å; D324-R648 IonicContact OD1-CZ 3.27Å; D324-R648 IonicContact OD1-NH1 2.71Å; D324-R648 PolarHBondContact OD1-NH1 3Å; D324-R648 IonicContact OD1-NH2 3.66Å; D324-R648 PolarHBondContact OD1-NH2 3.16Å; D324-R648 IonicContact OD2-CZ 2.66Å; D324-R648 IonicContact OD2-NH1 3.7Å; D324-R648 PolarHBondContact OD2-NH1 3.3Å; D324-R648 IonicContact OD2-NH2 2.75Å; N435-R648 PolarHBondContact ND2-NH2 3.36Å; K646-R648 PolarHBondContact O-N 2.99Å; R648-Y650 HydrophobicContact CG-CE2 3.95Å
649	T	93.5	Very high	96.4	Very high	88 Å²	88	54.6 Å²	54.6	54%	0.54	32%	0.315	S	S	.	.			trans	-127.3	156.4	173.6	60	0	0	0	0	110.6	K111 L647	K111-T649 WeakPolarHBondContact CE-O 3.44Å; K111-T649 PolarHBondContact NZ-O 2.84Å; L647-T649 HydrophobicContact CD2-CG2 4.17Å; L647-T649 HydrophobicContact CG-CG2 4.25Å
650	Y	94.5	Very high	96.5	Very high	24 Å²	24	54.7 Å²	54.7	9%	0.094	31%	0.31	C	S	.	.			trans	-128.4	0	-178.3	-76.6	-86.3	0	0	0	110.8	K111 A314 N316 A317 A321 S322 V325 R648	K111-Y650 HydrophobicContact CD-CE1 4.4Å; A314-Y650 CarbonylContact C-O 3.39Å; A314-Y650 VanDerWaalsContact C-O 3.31Å; A314-Y650 WeakPolarHBondContact CA-O 3.38Å; A314-Y650 WeakPolarHBondContact CB-O 3.37Å; N316-Y650 WeakPolarHBondContact CB-OXT 3.21Å; N316-Y650 PolarHBondContact N-OXT 3.18Å; N316-Y650 PolarHBondContact ND2-OXT 3.13Å; A317-Y650 HydrophobicContact CB-CD1 4.29Å; A317-Y650 WeakPolarHBondContact CB-OXT 3.2Å; A317-Y650 PolarHBondContact N-OXT 3.17Å; A321-Y650 HydrophobicContact CB-CG 4.23Å; S322-Y650 WeakPolarHBondContact OG-CE2 3.18Å; V325-Y650 HydrophobicContact CG2-CD2 4.3Å; R648-Y650 HydrophobicContact CG-CE2 3.95Å

Retrieved 650 of 650 residues in 138.1 ms (Link to these results)

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