A0A087WVZ7_HUMAN Loading...

Zinc finger protein 229

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WVZ7, Species HUMAN (Homo sapiens, Human), Gene ZNF229, Length 819 aa.

						>A0A087WVZ7_HUMAN|A0A087WVZ7|ZNF229
METLTSRHEKRALHSQASAISQDREEKIMSQEPLSFKDVAVVFTEEELELLDSTQRQLYQDVMQENFRNLLSVGDKNGKDTEYIQDEELRFFSHKELSSCKIWEEVAGELPGSQDCRVNLQGKDFQFSEDAAPHQGWEGASTPCFPIENFLDSLQGDGLIGLENQQFPAWRAIRPIPIQGSWAKAFVNQLGDVQERCKNLDTEDTVYKCNWDDDSFCWISCHVDHRFPEIDKPCGCNKCRKDCIKNSVLHRINPGENGLKSNEYRNGFRDDADLPPHPRVPLKEKLCQYDEFSEGLRHSAHLNRHQRVPTGEKSVKSLERGRGVRQNTHIRNHPRAPVGDMPYRCDVCGKGFRYKSVLLIHQGVHTGRRPYKCEECGKAFGRSSNLLVHQRVHTGEKPYKCSECGKGFSYSSVLQVHQRLHTGEKPYTCSECGKGFCAKSALHKHQHIHPGEKPYSCGECGKGFSCSSHLSSHQKTHTGERPYQCDKCGKGFSHNSYLQAHQRVHMGQHLYKCNVCGKSFSYSSGLLMHQRLHTGEKPYKCECGKSFGRSSDLHIHQRVHTGEKPYKCSECGKGFRRNSDLHSHQRVHTGERPYVCDVCGKGFIYSSDLLIHQRVHTGEKPYKCAECGKGFSYSSGLLIHQRVHTGEKPYRCQECGKGFRCTSSLHKHQRVHTGKKPYTCDQCGKGFSYGSNLRTHQRLHTGEKPYTCCECGKGFRYGSGLLSHKRVHTGEKPYRCHVCGKGYSQSSHLQGHQRVHTGEKPYKCEECGKGFGRNSCLHVHQRVHTGEKPYTCGVCGKGFSYTSGLRNHQRVHLGENPYK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.6	Very low	45.3	Very low	242 Å²	242	160.3 Å²	160.3	100%	1.192	77%	0.772	S	S	*	*				0	79.7	0	-65.6	174.5	-174.8	0	0	108.1
2	E	42.7	Very low	45.1	Very low	187 Å²	187	151.5 Å²	151.5	87%	0.874	75%	0.745	S	S	*	*			trans	-141.2	60.4	-164.4	-65.9	-170.5	125.1	0	0	113.7
3	T	45.1	Very low	45.1	Very low	134 Å²	134	149 Å²	149	82%	0.822	74%	0.736	S	S	*	*	S	Bend	trans	-141.5	1.1	179	40.1	0	0	0	0	115.9
4	L	45.1	Very low	45	Very low	154 Å²	154	149.2 Å²	149.2	81%	0.806	73%	0.733	S	S	*	*	S	Bend	trans	-107.8	-21.7	-169.6	-72.3	173	0	0	0	116.6
5	T	46.7	Very low	45	Very low	124 Å²	124	144.5 Å²	144.5	76%	0.761	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-39.2	-173.1	40.9	0	0	0	0	114.5	R7 H8	T5-R7 PolarHBondContact O-N 3.22Å; T5-H8 PolarHBondContact O-N 2.99Å
6	S	48.3	Very low	44.9	Very low	67 Å²	67	143.3 Å²	143.3	47%	0.469	71%	0.712	S	S	.	*	H	α-helix	trans	-64.4	-12.7	-173.3	-170	0	0	0	0	115.3
7	R	42.9	Very low	44.8	Very low	217 Å²	217	138.1 Å²	138.1	82%	0.819	70%	0.697	S	S	*	*	H	α-helix	trans	-86.4	-18.5	-174.2	-144.6	173.9	-169.9	175.9	2.7	114.2	T5	T5-R7 PolarHBondContact O-N 3.22Å
8	H	42.7	Very low	44.7	Very low	154 Å²	154	134.3 Å²	134.3	71%	0.713	69%	0.686	S	S	*	*	H	α-helix	trans	-83.1	-44.2	179.6	-114.6	-96.4	0	0	0	112.8	T5 K10 R11 A12	T5-H8 PolarHBondContact O-N 2.99Å; H8-K10 VanDerWaalsContact C-N 3.29Å; H8-K10 PolarHBondContact O-N 3.21Å; H8-R11 PolarHBondContact O-N 3.02Å; H8-A12 PolarHBondContact O-N 2.94Å
9	E	46	Very low	44.5	Very low	134 Å²	134	130.3 Å²	130.3	63%	0.626	68%	0.675	S	S	*	*	H	α-helix	trans	-58.9	-40.1	-177.9	-59.7	175.3	131	0	0	112.2	R11 A12 L13	E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 3.31Å; E9-A12 PolarHBondContact O-N 3.11Å; E9-L13 PolarHBondContact O-N 3.49Å
10	K	46.5	Very low	44.5	Very low	147 Å²	147	129.5 Å²	129.5	64%	0.639	67%	0.671	S	S	*	*	H	α-helix	trans	-66.8	-20.9	177.5	-72.2	178.8	176.6	172.4	0	114.2	H8	H8-K10 VanDerWaalsContact C-N 3.29Å; H8-K10 PolarHBondContact O-N 3.21Å
11	R	44.8	Very low	44.4	Very low	203 Å²	203	126.6 Å²	126.6	77%	0.766	66%	0.661	S	S	*	*	H	α-helix	trans	-81.4	-39.2	171.8	-89	-177.9	164.4	175.7	-6	112	H8 E9 L13 H14 S15	H8-R11 PolarHBondContact O-N 3.02Å; E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 3.31Å; R11-L13 PolarHBondContact O-N 3.48Å; R11-H14 PolarHBondContact O-N 3.34Å; R11-S15 PolarHBondContact O-N 3.35Å
12	A	42.3	Very low	44	Very low	55 Å²	55	121 Å²	121	46%	0.455	63%	0.632	S	S	.	*	H	α-helix	trans	-63.9	-38.8	178.2	0	0	0	0	0	113.1	H8 E9 H14 S15 Q16	H8-A12 PolarHBondContact O-N 2.94Å; E9-A12 PolarHBondContact O-N 3.11Å; A12-H14 VanDerWaalsContact C-N 3.3Å; A12-H14 PolarHBondContact O-N 3.23Å; A12-S15 PolarHBondContact O-OG 3.18Å; A12-S15 VanDerWaalsContact O-OG 3.13Å; A12-Q16 PolarHBondContact O-N 3.04Å
13	L	46.1	Very low	43.7	Very low	119 Å²	119	117.1 Å²	117.1	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-67	-29.7	177	-69.4	168.7	0	0	0	113.1	E9 R11 A17	E9-L13 PolarHBondContact O-N 3.49Å; R11-L13 PolarHBondContact O-N 3.48Å; L13-A17 PolarHBondContact O-N 3.27Å
14	H	43.8	Very low	43.3	Very low	152 Å²	152	119.7 Å²	119.7	70%	0.704	61%	0.612	S	S	*	*	H	α-helix	trans	-79.1	-31	-176.5	-125.9	-63.1	0	0	0	113.4	R11 A12	R11-H14 PolarHBondContact O-N 3.34Å; A12-H14 VanDerWaalsContact C-N 3.3Å; A12-H14 PolarHBondContact O-N 3.23Å
15	S	44.2	Very low	42.8	Very low	78 Å²	78	119.1 Å²	119.1	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-74.1	-40.4	175.1	55.5	0	0	0	0	112.2	R11 A12 A17 S18 A19	R11-S15 PolarHBondContact O-N 3.35Å; A12-S15 PolarHBondContact O-OG 3.18Å; A12-S15 VanDerWaalsContact O-OG 3.13Å; S15-A17 VanDerWaalsContact C-N 3.33Å; S15-A17 PolarHBondContact O-N 3.4Å; S15-S18 PolarHBondContact O-N 3.01Å; S15-A19 PolarHBondContact O-N 2.91Å
16	Q	43.7	Very low	42.4	Very low	125 Å²	125	120.5 Å²	120.5	58%	0.584	60%	0.603	S	S	*	*	H	α-helix	trans	-61.2	-39.5	176.5	-72.3	-175.5	-15.8	0	0	112.5	A12 S18 A19 I20	A12-Q16 PolarHBondContact O-N 3.04Å; Q16-S18 VanDerWaalsContact C-N 3.31Å; Q16-S18 PolarHBondContact O-N 3.4Å; Q16-A19 PolarHBondContact O-N 2.94Å; Q16-I20 WeakPolarHBondContact O-CD1 3.44Å; Q16-I20 VanDerWaalsContact O-CG1 3.3Å; Q16-I20 WeakPolarHBondContact O-CG1 3.38Å; Q16-I20 PolarHBondContact O-N 3.38Å
17	A	43.9	Very low	41.8	Very low	55 Å²	55	125 Å²	125	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-63.4	-33.7	176.6	0	0	0	0	0	113.4	L13 S15 S21	L13-A17 PolarHBondContact O-N 3.27Å; S15-A17 VanDerWaalsContact C-N 3.33Å; S15-A17 PolarHBondContact O-N 3.4Å; A17-S21 PolarHBondContact O-OG 3.03Å
18	S	42.2	Very low	41.4	Very low	70 Å²	70	121 Å²	121	49%	0.49	61%	0.608	S	S	.	*	H	α-helix	trans	-71.7	-45.5	178.7	-155.8	0	0	0	0	111.7	S15 Q16 I20 S21 Q22	S15-S18 PolarHBondContact O-N 3.01Å; Q16-S18 VanDerWaalsContact C-N 3.31Å; Q16-S18 PolarHBondContact O-N 3.4Å; S18-I20 PolarHBondContact O-N 3.12Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 2.78Å; S18-S21 VanDerWaalsContact O-N 3.09Å; S18-Q22 PolarHBondContact O-N 2.81Å
19	A	40.9	Very low	41.2	Very low	58 Å²	58	121.6 Å²	121.6	48%	0.479	61%	0.613	S	S	.	*	H	α-helix	trans	-62.4	-40.5	179.9	0	0	0	0	0	112.8	S15 Q16 S21 Q22 D23	S15-A19 PolarHBondContact O-N 2.91Å; Q16-A19 PolarHBondContact O-N 2.94Å; A19-S21 PolarHBondContact O-N 3.23Å; A19-Q22 PolarHBondContact O-N 3.16Å; A19-D23 PolarHBondContact O-N 3.5Å
20	I	45.3	Very low	40.9	Very low	115 Å²	115	119.6 Å²	119.6	59%	0.59	61%	0.614	S	S	*	*	H	α-helix	trans	-66.5	-15.8	177.6	-67	167.4	0	0	0	112.4	Q16 S18	Q16-I20 WeakPolarHBondContact O-CD1 3.44Å; Q16-I20 VanDerWaalsContact O-CG1 3.3Å; Q16-I20 WeakPolarHBondContact O-CG1 3.38Å; Q16-I20 PolarHBondContact O-N 3.38Å; S18-I20 PolarHBondContact O-N 3.12Å
21	S	41	Very low	40.7	Very low	68 Å²	68	121.4 Å²	121.4	48%	0.476	62%	0.624	S	S	.	*	H	α-helix	trans	-84.6	-42.2	177.3	-57	0	0	0	0	111.9	A17 S18 A19 R24 E25	A17-S21 PolarHBondContact O-OG 3.03Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 2.78Å; S18-S21 VanDerWaalsContact O-N 3.09Å; A19-S21 PolarHBondContact O-N 3.23Å; S21-R24 WeakPolarHBondContact O-CB 3.38Å; S21-R24 PolarHBondContact O-N 3.35Å; S21-E25 PolarHBondContact O-N 2.85Å
22	Q	40.7	Very low	40.8	Very low	124 Å²	124	120.6 Å²	120.6	58%	0.579	63%	0.629	S	S	*	*	H	α-helix	trans	-70.8	-43.8	-177.3	-63.7	177.7	-87.4	0	0	112.7	S18 A19 R24 E25 E26	S18-Q22 PolarHBondContact O-N 2.81Å; A19-Q22 PolarHBondContact O-N 3.16Å; Q22-R24 PolarHBondContact O-N 3.39Å; Q22-E25 PolarHBondContact O-N 2.89Å; Q22-E26 PolarHBondContact O-N 3.17Å
23	D	35.4	Very low	41.4	Very low	107 Å²	107	123.9 Å²	123.9	57%	0.572	65%	0.646	S	S	*	*	H	α-helix	trans	-55.9	-19.3	172.3	177.3	69.5	0	0	0	113	A19 K27	A19-D23 PolarHBondContact O-N 3.5Å; D23-K27 WeakPolarHBondContact O-CB 3.43Å
24	R	37.5	Very low	41.7	Very low	188 Å²	188	124 Å²	124	71%	0.709	65%	0.647	S	S	*	*	H	α-helix	trans	-92.7	-18.6	-179.2	-148.8	177	-168.1	-178.5	4.4	114.3	S21 Q22 I28	S21-R24 WeakPolarHBondContact O-CB 3.38Å; S21-R24 PolarHBondContact O-N 3.35Å; Q22-R24 PolarHBondContact O-N 3.39Å; R24-I28 WeakPolarHBondContact O-CD1 3.28Å
25	E	34.3	Very low	42.4	Very low	142 Å²	142	119 Å²	119	66%	0.664	63%	0.629	S	S	*	*	H	α-helix	trans	-92	-42.4	178.2	-68.8	-177.3	147.6	0	0	110.8	S21 Q22 K27 I28	S21-E25 PolarHBondContact O-N 2.85Å; Q22-E25 PolarHBondContact O-N 2.89Å; E25-K27 PolarHBondContact O-N 3.21Å; E25-I28 PolarHBondContact O-N 2.9Å; E25-I28 VanDerWaalsContact O-N 3.15Å
26	E	37.8	Very low	42.8	Very low	153 Å²	153	118.8 Å²	118.8	72%	0.715	62%	0.619	S	S	*	*	H	α-helix	trans	-57.7	-36.1	174.2	-65.8	-173.8	159	0	0	112.1	Q22 I28 M29	Q22-E26 PolarHBondContact O-N 3.17Å; E26-I28 PolarHBondContact O-N 3.39Å; E26-I28 VanDerWaalsContact O-N 3.16Å; E26-M29 PolarHBondContact O-N 3.49Å
27	K	35.3	Very low	43.4	Very low	162 Å²	162	119.7 Å²	119.7	70%	0.704	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	1.5	-178.4	-157.8	157.8	-167.2	154.2	0	115.3	D23 E25	D23-K27 WeakPolarHBondContact O-CB 3.43Å; E25-K27 PolarHBondContact O-N 3.21Å
28	I	36	Very low	44.3	Very low	131 Å²	131	122.1 Å²	122.1	67%	0.672	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-16.3	177.1	-67.2	174.2	0	0	0	111.7	R24 E25 E26	R24-I28 WeakPolarHBondContact O-CD1 3.28Å; E25-I28 PolarHBondContact O-N 2.9Å; E25-I28 VanDerWaalsContact O-N 3.15Å; E26-I28 PolarHBondContact O-N 3.39Å; E26-I28 VanDerWaalsContact O-N 3.16Å
29	M	37.3	Very low	45.1	Very low	167 Å²	167	121.2 Å²	121.2	82%	0.823	62%	0.617	S	S	*	*	S	Bend	trans	-92.9	2.3	-173.6	-70.7	-112.5	56.2	0	0	115	E26	E26-M29 PolarHBondContact O-N 3.49Å
30	S	40.4	Very low	46.1	Very low	92 Å²	92	119.7 Å²	119.7	64%	0.643	61%	0.605	S	S	*	*			trans	-120.1	64.5	-174	46.6	0	0	0	0	113.4
31	Q	43	Very low	47	Very low	185 Å²	185	117.9 Å²	117.9	86%	0.864	60%	0.599	S	S	*	*			trans	-120.9	118.8	163.4	-67.4	-165.8	-24.4	0	0	109.6
32	E	45.8	Very low	47.9	Very low	186 Å²	186	120.5 Å²	120.5	87%	0.869	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-67.9	147.3	176.1	-65.6	173.4	128.9	0	0	110.9	L34	E32-L34 PolarHBondContact O-N 3.44Å
33	P	55.1	Low	48.9	Very low	125 Å²	125	118 Å²	118	81%	0.812	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-70.5	126.8	178.7	28.8	-33.8	0	0	0	111	S35	P33-S35 PolarHBondContact O-N 3.31Å
34	L	52.4	Low	50.2	Low	121 Å²	121	116 Å²	116	63%	0.634	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-65.1	122.7	174.8	-71	165.2	0	0	0	110.5	E32 L70	E32-L34 PolarHBondContact O-N 3.44Å; L34-L70 HydrophobicContact CB-CD1 4.48Å
35	S	59.2	Low	50.9	Low	48 Å²	48	112.6 Å²	112.6	34%	0.336	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-92.1	167.3	176.6	82.9	0	0	0	0	111.7	P33 K37 D38	P33-S35 PolarHBondContact O-N 3.31Å; S35-K37 PolarHBondContact O-N 2.87Å; S35-K37 PolarHBondContact OG-N 3.05Å; S35-D38 WeakPolarHBondContact CA-OD2 3.45Å; S35-D38 VanDerWaalsContact CB-OD2 3.26Å; S35-D38 WeakPolarHBondContact CB-OD2 3.45Å; S35-D38 PolarHBondContact N-OD2 2.9Å; S35-D38 PolarHBondContact O-N 2.98Å; S35-D38 PolarHBondContact OG-OD2 3.24Å
36	F	50.9	Low	52.1	Low	73 Å²	73	112.2 Å²	112.2	32%	0.32	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-64.3	-27.8	172	-173.7	-115.9	0	0	0	112.3	D38 V39 A40 N66 F67 L70	F36-D38 PolarHBondContact O-N 3.11Å; F36-V39 PolarHBondContact O-N 3.34Å; F36-V39 VanDerWaalsContact O-N 3.1Å; F36-A40 HydrophobicContact CD1-CB 4.23Å; F36-A40 HydrophobicContact CE1-CB 3.94Å; F36-A40 HydrophobicContact CZ-CB 4.15Å; F36-A40 VanDerWaalsContact O-CB 3.31Å; F36-A40 WeakPolarHBondContact O-CB 3.44Å; F36-A40 PolarHBondContact O-N 2.96Å; F36-N66 HydrophobicContact CE2-CB 4.49Å; F36-F67 HydrophobicContact CD2-CB 4.34Å; F36-F67 AromaticContact CD2-CD2 3.93Å; F36-F67 HydrophobicContact CD2-CD2 3.93Å; F36-F67 HydrophobicContact CE2-CB 3.76Å; F36-F67 HydrophobicContact CE2-CD2 4.05Å; F36-F67 HydrophobicContact CE2-CG 4.42Å; F36-F67 HydrophobicContact CG-CD2 4.31Å; F36-F67 HydrophobicContact CZ-CB 4.33Å; F36-L70 HydrophobicContact CB-CD2 3.84Å; F36-L70 HydrophobicContact CD2-CD2 4.35Å
37	K	57.7	Low	53.2	Low	144 Å²	144	109.3 Å²	109.3	63%	0.626	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-68.3	-18.7	178.8	-65	173.2	-178.4	169.6	0	112.6	S35 E96	S35-K37 PolarHBondContact O-N 2.87Å; S35-K37 PolarHBondContact OG-N 3.05Å; K37-E96 IonicContact NZ-OE1 2.65Å; K37-E96 PolarHBondContact NZ-OE1 3.39Å; K37-E96 IonicContact NZ-OE2 3.5Å; K37-E96 PolarHBondContact NZ-OE2 3.42Å
38	D	62	Low	54.4	Low	106 Å²	106	103.1 Å²	103.1	57%	0.567	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-85.2	-9.9	174.9	-53.1	-66.5	0	0	0	113.6	S35 F36	S35-D38 WeakPolarHBondContact CA-OD2 3.45Å; S35-D38 VanDerWaalsContact CB-OD2 3.26Å; S35-D38 WeakPolarHBondContact CB-OD2 3.45Å; S35-D38 PolarHBondContact N-OD2 2.9Å; S35-D38 PolarHBondContact O-N 2.98Å; S35-D38 PolarHBondContact OG-OD2 3.24Å; F36-D38 PolarHBondContact O-N 3.11Å
39	V	58.6	Low	55.5	Low	50 Å²	50	103.3 Å²	103.3	30%	0.303	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-17.7	-172.7	-167	0	0	0	0	112.3	F36 N66 L70	F36-V39 PolarHBondContact O-N 3.34Å; F36-V39 VanDerWaalsContact O-N 3.1Å; V39-N66 HydrophobicContact CG1-CB 4.09Å; V39-N66 PolarHBondContact O-ND2 3.1Å; V39-L70 HydrophobicContact CG2-CD1 3.87Å
40	A	61.9	Low	57	Low	27 Å²	27	102.4 Å²	102.4	22%	0.223	54%	0.538	C	S	.	.			trans	-66.8	141.1	167.9	0	0	0	0	0	110.8	F36 M63	F36-A40 HydrophobicContact CD1-CB 4.23Å; F36-A40 HydrophobicContact CE1-CB 3.94Å; F36-A40 HydrophobicContact CZ-CB 4.15Å; F36-A40 VanDerWaalsContact O-CB 3.31Å; F36-A40 WeakPolarHBondContact O-CB 3.44Å; F36-A40 PolarHBondContact O-N 2.96Å; A40-M63 HydrophobicContact CB-SD 4.28Å
41	V	65.2	Low	58.3	Low	76 Å²	76	99.3 Å²	99.3	46%	0.461	51%	0.514	S	S	.	.			trans	-100.2	115.5	166.1	175.8	0	0	0	0	105.7	F43 Y59 M63	V41-F43 HydrophobicContact CG1-CE2 4.5Å; V41-F43 HydrophobicContact CG1-CZ 4.46Å; V41-Y59 VanDerWaalsContact O-CE2 3.25Å; V41-Y59 WeakPolarHBondContact O-CE2 3.38Å; V41-Y59 PolarHBondContact O-OH 3.37Å; V41-M63 HydrophobicContact CB-CE 3.91Å; V41-M63 HydrophobicContact CB-SD 4.5Å; V41-M63 HydrophobicContact CG2-CE 4.02Å; V41-M63 PolarHBondContact N-SD 2.65Å; V41-M63 VanDerWaalsContact N-SD 3.39Å
42	V	58.8	Low	59.5	Low	124 Å²	124	93.9 Å²	93.9	75%	0.752	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-99.1	126.6	178.2	-175.9	0	0	0	0	108.4
43	F	63	Low	59.8	Low	70 Å²	70	89.8 Å²	89.8	31%	0.307	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-94.8	151.2	167	-70.2	-68.7	0	0	0	109.7	V41 E47 L48 L51 Y59	V41-F43 HydrophobicContact CG1-CE2 4.5Å; V41-F43 HydrophobicContact CG1-CZ 4.46Å; F43-E47 WeakPolarHBondContact CA-OE2 3.33Å; F43-E47 HydrophobicContact CB-CB 4.03Å; F43-E47 HydrophobicContact CD1-CB 4Å; F43-E47 HydrophobicContact CG-CB 4.45Å; F43-L48 HydrophobicContact CB-CD1 3.94Å; F43-L48 HydrophobicContact CD2-CD1 3.83Å; F43-L48 HydrophobicContact CG-CD1 4.2Å; F43-L51 HydrophobicContact CD2-CD1 4.11Å; F43-L51 HydrophobicContact CE2-CD1 3.91Å; F43-L51 HydrophobicContact CZ-CD1 4.25Å; F43-Y59 HydrophobicContact CD2-CD1 4.43Å; F43-Y59 HydrophobicContact CD2-CD2 4.06Å; F43-Y59 HydrophobicContact CD2-CE1 4.27Å; F43-Y59 AromaticContact CD2-CE2 3.89Å; F43-Y59 HydrophobicContact CD2-CE2 3.89Å; F43-Y59 HydrophobicContact CD2-CG 4.32Å; F43-Y59 AromaticContact CD2-CZ 3.99Å; F43-Y59 AromaticContact CE2-CD2 3.63Å; F43-Y59 HydrophobicContact CE2-CD2 3.63Å; F43-Y59 AromaticContact CE2-CE2 3.86Å; F43-Y59 HydrophobicContact CE2-CE2 3.86Å; F43-Y59 AromaticContact CE2-CG 3.98Å; F43-Y59 HydrophobicContact CE2-CG 3.98Å
44	T	62.6	Low	60	Low	65 Å²	65	88.5 Å²	88.5	40%	0.399	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-69.9	167	162.9	79.3	0	0	0	0	110.9	E46 E47 L48	T44-E46 VanDerWaalsContact C-N 3.31Å; T44-E46 VanDerWaalsContact CB-OE2 3.25Å; T44-E46 WeakPolarHBondContact CB-OE2 3.24Å; T44-E46 PolarHBondContact O-N 3.27Å; T44-E46 PolarHBondContact OG1-N 3.33Å; T44-E46 PolarHBondContact OG1-OE2 3.27Å; T44-E47 PolarHBondContact N-OE2 3.35Å; T44-E47 PolarHBondContact O-N 3.1Å; T44-E47 WeakPolarHBondContact OG1-CG 3.24Å; T44-E47 PolarHBondContact OG1-N 3.19Å; T44-E47 VanDerWaalsContact OG1-N 3.11Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 PolarHBondContact O-N 2.97Å
45	E	52.1	Low	60.3	Low	117 Å²	117	87 Å²	87	55%	0.547	46%	0.462	S	S	.	.	H	α-helix	trans	-60.7	-42.9	175.8	-164.8	152.2	-142.4	0	0	110.7	E47 L48 E49 I102	E45-E47 PolarHBondContact O-N 3.24Å; E45-L48 PolarHBondContact O-N 3.42Å; E45-E49 PolarHBondContact O-N 3.43Å; E45-I102 VanDerWaalsContact OE1-CD1 3.26Å; E45-I102 WeakPolarHBondContact OE1-CD1 3.37Å
46	E	59.1	Low	60.5	Low	135 Å²	135	88.7 Å²	88.7	63%	0.631	46%	0.461	S	S	*	.	H	α-helix	trans	-64.7	-39.2	176	-43.5	120.8	138.5	0	0	112.3	T44 L48 L50	T44-E46 VanDerWaalsContact C-N 3.31Å; T44-E46 VanDerWaalsContact CB-OE2 3.25Å; T44-E46 WeakPolarHBondContact CB-OE2 3.24Å; T44-E46 PolarHBondContact O-N 3.27Å; T44-E46 PolarHBondContact OG1-N 3.33Å; T44-E46 PolarHBondContact OG1-OE2 3.27Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.45Å; E46-L50 PolarHBondContact O-N 3.31Å
47	E	61	Low	60.7	Low	92 Å²	92	89.7 Å²	89.7	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-34.1	175.2	-74.5	-177.5	140.3	0	0	112.2	F43 T44 E45 L50	F43-E47 WeakPolarHBondContact CA-OE2 3.33Å; F43-E47 HydrophobicContact CB-CB 4.03Å; F43-E47 HydrophobicContact CD1-CB 4Å; F43-E47 HydrophobicContact CG-CB 4.45Å; T44-E47 PolarHBondContact N-OE2 3.35Å; T44-E47 PolarHBondContact O-N 3.1Å; T44-E47 WeakPolarHBondContact OG1-CG 3.24Å; T44-E47 PolarHBondContact OG1-N 3.19Å; T44-E47 VanDerWaalsContact OG1-N 3.11Å; E45-E47 PolarHBondContact O-N 3.24Å; E47-L50 PolarHBondContact O-N 3.21Å
48	L	61.2	Low	60.8	Low	32 Å²	32	87.5 Å²	87.5	17%	0.168	46%	0.462	C	S	.	.	H	α-helix	trans	-75.7	-33.8	-180	-152	85.1	0	0	0	112.3	F43 T44 E45 E46 L50 L51 R56 Y59 W103	F43-L48 HydrophobicContact CB-CD1 3.94Å; F43-L48 HydrophobicContact CD2-CD1 3.83Å; F43-L48 HydrophobicContact CG-CD1 4.2Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 PolarHBondContact O-N 2.97Å; E45-L48 PolarHBondContact O-N 3.42Å; E46-L48 VanDerWaalsContact C-N 3.32Å; L48-L50 VanDerWaalsContact C-N 3.25Å; L48-L50 PolarHBondContact O-N 3.44Å; L48-L51 HydrophobicContact CD1-CD1 3.85Å; L48-L51 HydrophobicContact CG-CD1 4.45Å; L48-L51 PolarHBondContact O-N 3.44Å; L48-R56 VanDerWaalsContact O-CZ 3.24Å; L48-R56 PolarHBondContact O-NE 3.18Å; L48-R56 VanDerWaalsContact O-NE 3.15Å; L48-R56 PolarHBondContact O-NH2 3.31Å; L48-Y59 HydrophobicContact CD1-CD1 4.19Å; L48-Y59 HydrophobicContact CD1-CE1 4.06Å; L48-W103 HydrophobicContact CD2-CH2 4.12Å; L48-W103 HydrophobicContact CD2-CZ2 3.55Å
49	E	58.5	Low	61.1	Low	134 Å²	134	85.6 Å²	85.6	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-57.8	-39.4	171.7	-74.7	-166.1	149.6	0	0	111.9	E45 L51 R56	E45-E49 PolarHBondContact O-N 3.43Å; E49-L51 PolarHBondContact O-N 3.23Å; E49-R56 PolarHBondContact O-NH2 2.84Å
50	L	68.4	Low	61.1	Low	149 Å²	149	88.1 Å²	88.1	78%	0.78	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.1	179	-66.5	170.3	0	0	0	114.6	E46 E47 L48	E46-L50 WeakPolarHBondContact O-CG 3.45Å; E46-L50 PolarHBondContact O-N 3.31Å; E47-L50 PolarHBondContact O-N 3.21Å; L48-L50 VanDerWaalsContact C-N 3.25Å; L48-L50 PolarHBondContact O-N 3.44Å
51	L	67.7	Low	61	Low	27 Å²	27	90.8 Å²	90.8	14%	0.141	47%	0.466	C	S	.	.	S	Bend	trans	-82.2	132	176.6	-59.9	-178.9	0	0	0	111.4	F43 L48 E49 Q55 R56	F43-L51 HydrophobicContact CD2-CD1 4.11Å; F43-L51 HydrophobicContact CE2-CD1 3.91Å; F43-L51 HydrophobicContact CZ-CD1 4.25Å; L48-L51 HydrophobicContact CD1-CD1 3.85Å; L48-L51 HydrophobicContact CG-CD1 4.45Å; L48-L51 PolarHBondContact O-N 3.44Å; E49-L51 PolarHBondContact O-N 3.23Å; L51-Q55 HydrophobicContact CB-CB 4.09Å; L51-Q55 HydrophobicContact CD2-CB 4.29Å; L51-R56 HydrophobicContact CB-CG 3.69Å; L51-R56 HydrophobicContact CD1-CG 4.42Å; L51-R56 PolarHBondContact O-NE 3.03Å; L51-R56 PolarHBondContact O-NH2 2.67Å
52	D	68.8	Low	60.9	Low	71 Å²	71	90 Å²	90	38%	0.38	46%	0.461	S	S	.	.			trans	-70.1	165.8	169.8	77.2	56.5	0	0	0	112.4	T54 Q55 R56	D52-T54 VanDerWaalsContact C-N 3.25Å; D52-T54 PolarHBondContact O-N 3.11Å; D52-T54 WeakPolarHBondContact OD1-CA 3.46Å; D52-T54 WeakPolarHBondContact OD1-CB 3.46Å; D52-T54 PolarHBondContact OD1-N 2.98Å; D52-T54 PolarHBondContact OD1-OG1 3.43Å; D52-Q55 WeakPolarHBondContact O-CB 3.33Å; D52-Q55 PolarHBondContact O-N 3Å; D52-Q55 PolarHBondContact OD1-N 3.33Å; D52-Q55 WeakPolarHBondContact OD2-CG 3.46Å; D52-Q55 PolarHBondContact OD2-NE2 3.11Å; D52-R56 WeakPolarHBondContact O-CG 3.41Å; D52-R56 PolarHBondContact O-N 2.77Å
53	S	50.9	Low	61.7	Low	100 Å²	100	85.1 Å²	85.1	70%	0.699	43%	0.43	S	S	*	.	H	α-helix	trans	-59.6	-30.9	-176.1	54.4	0	0	0	0	114.2	Q57	S53-Q57 PolarHBondContact O-N 3.11Å; S53-Q57 VanDerWaalsContact O-N 3.1Å
54	T	59.1	Low	61.4	Low	97 Å²	97	86.6 Å²	86.6	60%	0.595	44%	0.438	S	S	*	.	H	α-helix	trans	-76.3	-34	176.1	74.6	0	0	0	0	111.8	D52 L58	D52-T54 VanDerWaalsContact C-N 3.25Å; D52-T54 PolarHBondContact O-N 3.11Å; D52-T54 WeakPolarHBondContact OD1-CA 3.46Å; D52-T54 WeakPolarHBondContact OD1-CB 3.46Å; D52-T54 PolarHBondContact OD1-N 2.98Å; D52-T54 PolarHBondContact OD1-OG1 3.43Å; T54-L58 WeakPolarHBondContact O-CB 3.22Å; T54-L58 PolarHBondContact O-N 3.35Å
55	Q	59.4	Low	61.5	Low	89 Å²	89	89.1 Å²	89.1	42%	0.416	45%	0.445	S	S	.	.	H	α-helix	trans	-69.8	-40.8	173.7	-64.2	177.8	34.7	0	0	111.7	L51 D52 L58 Y59	L51-Q55 HydrophobicContact CB-CB 4.09Å; L51-Q55 HydrophobicContact CD2-CB 4.29Å; D52-Q55 WeakPolarHBondContact O-CB 3.33Å; D52-Q55 PolarHBondContact O-N 3Å; D52-Q55 PolarHBondContact OD1-N 3.33Å; D52-Q55 WeakPolarHBondContact OD2-CG 3.46Å; D52-Q55 PolarHBondContact OD2-NE2 3.11Å; Q55-L58 PolarHBondContact O-N 3.25Å; Q55-Y59 WeakPolarHBondContact O-CB 3.39Å; Q55-Y59 PolarHBondContact O-N 2.86Å
56	R	62.8	Low	61.9	Low	84 Å²	84	85.4 Å²	85.4	32%	0.317	43%	0.429	S	S	.	.	H	α-helix	trans	-63	-42.4	174	-65.6	-175.7	-160.9	-167.7	6.7	111.7	L48 E49 L51 D52 Y59 Q60	L48-R56 VanDerWaalsContact O-CZ 3.24Å; L48-R56 PolarHBondContact O-NE 3.18Å; L48-R56 VanDerWaalsContact O-NE 3.15Å; L48-R56 PolarHBondContact O-NH2 3.31Å; E49-R56 PolarHBondContact O-NH2 2.84Å; L51-R56 HydrophobicContact CB-CG 3.69Å; L51-R56 HydrophobicContact CD1-CG 4.42Å; L51-R56 PolarHBondContact O-NE 3.03Å; L51-R56 PolarHBondContact O-NH2 2.67Å; D52-R56 WeakPolarHBondContact O-CG 3.41Å; D52-R56 PolarHBondContact O-N 2.77Å; R56-Y59 PolarHBondContact O-N 3.14Å; R56-Q60 WeakPolarHBondContact O-CG 3.45Å; R56-Q60 PolarHBondContact O-N 3.11Å
57	Q	55.2	Low	61.9	Low	95 Å²	95	83.7 Å²	83.7	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-62.5	-47.3	173.8	-174	62.3	60.9	0	0	111.8	S53 Y59 Q60 D61	S53-Q57 PolarHBondContact O-N 3.11Å; S53-Q57 VanDerWaalsContact O-N 3.1Å; Q57-Y59 PolarHBondContact O-N 3.09Å; Q57-Q60 WeakPolarHBondContact O-CB 3.24Å; Q57-Q60 PolarHBondContact O-N 3Å; Q57-Q60 VanDerWaalsContact O-N 3.13Å; Q57-D61 PolarHBondContact NE2-OD1 2.92Å; Q57-D61 PolarHBondContact O-N 3.05Å
58	L	60.4	Low	61.9	Low	98 Å²	98	86.5 Å²	86.5	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-60.1	-35.9	177.6	178.6	61.7	0	0	0	112.2	T54 Q55 V62	T54-L58 WeakPolarHBondContact O-CB 3.22Å; T54-L58 PolarHBondContact O-N 3.35Å; Q55-L58 PolarHBondContact O-N 3.25Å; L58-V62 HydrophobicContact CD1-CG2 4.17Å; L58-V62 WeakPolarHBondContact O-CB 3.38Å; L58-V62 VanDerWaalsContact O-CG2 3.23Å; L58-V62 WeakPolarHBondContact O-CG2 3.2Å; L58-V62 PolarHBondContact O-N 2.89Å
59	Y	67.3	Low	61.9	Low	65 Å²	65	88.9 Å²	88.9	26%	0.255	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-45.6	173.9	168	-117.2	0	0	0	112.1	V41 F43 L48 Q55 R56 Q57 V62 M63	V41-Y59 VanDerWaalsContact O-CE2 3.25Å; V41-Y59 WeakPolarHBondContact O-CE2 3.38Å; V41-Y59 PolarHBondContact O-OH 3.37Å; F43-Y59 HydrophobicContact CD2-CD1 4.43Å; F43-Y59 HydrophobicContact CD2-CD2 4.06Å; F43-Y59 HydrophobicContact CD2-CE1 4.27Å; F43-Y59 AromaticContact CD2-CE2 3.89Å; F43-Y59 HydrophobicContact CD2-CE2 3.89Å; F43-Y59 HydrophobicContact CD2-CG 4.32Å; F43-Y59 AromaticContact CD2-CZ 3.99Å; F43-Y59 AromaticContact CE2-CD2 3.63Å; F43-Y59 HydrophobicContact CE2-CD2 3.63Å; F43-Y59 AromaticContact CE2-CE2 3.86Å; F43-Y59 HydrophobicContact CE2-CE2 3.86Å; F43-Y59 AromaticContact CE2-CG 3.98Å; F43-Y59 HydrophobicContact CE2-CG 3.98Å; L48-Y59 HydrophobicContact CD1-CD1 4.19Å; L48-Y59 HydrophobicContact CD1-CE1 4.06Å; Q55-Y59 WeakPolarHBondContact O-CB 3.39Å; Q55-Y59 PolarHBondContact O-N 2.86Å; R56-Y59 PolarHBondContact O-N 3.14Å; Q57-Y59 PolarHBondContact O-N 3.09Å; Y59-V62 PolarHBondContact O-N 2.89Å; Y59-M63 HydrophobicContact CD2-CE 4.49Å; Y59-M63 HydrophobicContact CD2-CG 3.85Å; Y59-M63 HydrophobicContact CE2-CE 4.21Å; Y59-M63 HydrophobicContact CE2-CG 3.38Å; Y59-M63 HydrophobicContact CE2-SD 3.9Å; Y59-M63 WeakPolarHBondContact O-CG 3.3Å; Y59-M63 PolarHBondContact O-N 3.17Å
60	Q	58.8	Low	62.1	Low	104 Å²	104	84.2 Å²	84.2	49%	0.486	42%	0.419	S	S	.	.	H	α-helix	trans	-58.9	-47.6	174.1	-70.1	179	-1.6	0	0	111.8	R56 Q57 V62 M63 Q64	R56-Q60 WeakPolarHBondContact O-CG 3.45Å; R56-Q60 PolarHBondContact O-N 3.11Å; Q57-Q60 WeakPolarHBondContact O-CB 3.24Å; Q57-Q60 PolarHBondContact O-N 3Å; Q57-Q60 VanDerWaalsContact O-N 3.13Å; Q60-V62 VanDerWaalsContact C-N 3.33Å; Q60-V62 PolarHBondContact O-N 2.82Å; Q60-M63 PolarHBondContact O-N 3.37Å; Q60-Q64 WeakPolarHBondContact O-CB 3.31Å; Q60-Q64 PolarHBondContact O-N 2.92Å
61	D	60.3	Low	61.5	Low	83 Å²	83	82.2 Å²	82.2	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-57.9	-44.7	178.6	-68.1	0.8	0	0	0	111.4	Q57 Q64 E65	Q57-D61 PolarHBondContact NE2-OD1 2.92Å; Q57-D61 PolarHBondContact O-N 3.05Å; D61-Q64 PolarHBondContact O-N 2.81Å; D61-E65 PolarHBondContact O-N 3.03Å
62	V	63.6	Low	61.1	Low	58 Å²	58	85.4 Å²	85.4	35%	0.352	43%	0.433	S	S	.	.	H	α-helix	trans	-71.7	-37.4	-179.5	171.4	0	0	0	0	112.3	L58 Y59 Q60 Q64 E65 N66	L58-V62 HydrophobicContact CD1-CG2 4.17Å; L58-V62 WeakPolarHBondContact O-CB 3.38Å; L58-V62 VanDerWaalsContact O-CG2 3.23Å; L58-V62 WeakPolarHBondContact O-CG2 3.2Å; L58-V62 PolarHBondContact O-N 2.89Å; Y59-V62 PolarHBondContact O-N 2.89Å; Q60-V62 VanDerWaalsContact C-N 3.33Å; Q60-V62 PolarHBondContact O-N 2.82Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-E65 PolarHBondContact O-N 3.14Å; V62-N66 WeakPolarHBondContact O-CB 3.45Å; V62-N66 PolarHBondContact O-N 3.35Å
63	M	75.9	Confident	60.5	Low	22 Å²	22	86.5 Å²	86.5	11%	0.108	44%	0.442	C	S	.	.	H	α-helix	trans	-66.6	-37.7	173.1	-70.2	-58.8	99.7	0	0	111.6	A40 V41 Y59 Q60 N66 F67	A40-M63 HydrophobicContact CB-SD 4.28Å; V41-M63 HydrophobicContact CB-CE 3.91Å; V41-M63 HydrophobicContact CB-SD 4.5Å; V41-M63 HydrophobicContact CG2-CE 4.02Å; V41-M63 PolarHBondContact N-SD 2.65Å; V41-M63 VanDerWaalsContact N-SD 3.39Å; Y59-M63 HydrophobicContact CD2-CE 4.49Å; Y59-M63 HydrophobicContact CD2-CG 3.85Å; Y59-M63 HydrophobicContact CE2-CE 4.21Å; Y59-M63 HydrophobicContact CE2-CG 3.38Å; Y59-M63 HydrophobicContact CE2-SD 3.9Å; Y59-M63 WeakPolarHBondContact O-CG 3.3Å; Y59-M63 PolarHBondContact O-N 3.17Å; Q60-M63 PolarHBondContact O-N 3.37Å; M63-N66 PolarHBondContact O-N 3.26Å; M63-F67 WeakPolarHBondContact O-CB 3.41Å; M63-F67 PolarHBondContact O-N 3.18Å
64	Q	56.6	Low	60.5	Low	101 Å²	101	84.9 Å²	84.9	47%	0.472	44%	0.441	S	S	.	.	H	α-helix	trans	-68.3	-36.6	174.5	-164.6	-178.1	99	0	0	112.2	Q60 D61 V62 R68	Q60-Q64 WeakPolarHBondContact O-CB 3.31Å; Q60-Q64 PolarHBondContact O-N 2.92Å; D61-Q64 PolarHBondContact O-N 2.81Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; Q64-R68 WeakPolarHBondContact O-CG 3.31Å; Q64-R68 PolarHBondContact O-N 2.95Å; Q64-R68 VanDerWaalsContact O-N 3.13Å
65	E	64	Low	59.8	Low	118 Å²	118	85.6 Å²	85.6	55%	0.551	44%	0.441	S	S	*	.	H	α-helix	trans	-66.4	-43.8	171.7	-160.6	-171.5	152.3	0	0	111.4	D61 V62 F67 R68 N69	D61-E65 PolarHBondContact O-N 3.03Å; V62-E65 PolarHBondContact O-N 3.14Å; E65-F67 PolarHBondContact O-N 2.96Å; E65-R68 PolarHBondContact O-N 2.98Å; E65-N69 WeakPolarHBondContact O-CB 3.37Å; E65-N69 VanDerWaalsContact O-CG 3.31Å; E65-N69 PolarHBondContact O-N 3.18Å; E65-N69 PolarHBondContact O-ND2 3.2Å
66	N	61.3	Low	59.1	Low	39 Å²	39	90 Å²	90	21%	0.209	46%	0.459	C	S	.	.	H	α-helix	trans	-60.5	-42.7	175.9	-79.4	1.6	0	0	0	112.1	F36 V39 V62 M63 N69 L70	F36-N66 HydrophobicContact CE2-CB 4.49Å; V39-N66 HydrophobicContact CG1-CB 4.09Å; V39-N66 PolarHBondContact O-ND2 3.1Å; V62-N66 WeakPolarHBondContact O-CB 3.45Å; V62-N66 PolarHBondContact O-N 3.35Å; M63-N66 PolarHBondContact O-N 3.26Å; N66-N69 PolarHBondContact O-N 2.79Å; N66-L70 PolarHBondContact O-N 2.83Å
67	F	59.2	Low	57.9	Low	100 Å²	100	93 Å²	93	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-62.7	-47.7	177	-175.5	-105.7	0	0	0	112	F36 M63 E65 N69 L70 L71	F36-F67 HydrophobicContact CD2-CB 4.34Å; F36-F67 AromaticContact CD2-CD2 3.93Å; F36-F67 HydrophobicContact CD2-CD2 3.93Å; F36-F67 HydrophobicContact CE2-CB 3.76Å; F36-F67 HydrophobicContact CE2-CD2 4.05Å; F36-F67 HydrophobicContact CE2-CG 4.42Å; F36-F67 HydrophobicContact CG-CD2 4.31Å; F36-F67 HydrophobicContact CZ-CB 4.33Å; M63-F67 WeakPolarHBondContact O-CB 3.41Å; M63-F67 PolarHBondContact O-N 3.18Å; E65-F67 PolarHBondContact O-N 2.96Å; F67-N69 VanDerWaalsContact C-N 3.31Å; F67-N69 PolarHBondContact O-N 3.4Å; F67-L70 WeakPolarHBondContact O-CB 3.24Å; F67-L70 PolarHBondContact O-N 3.27Å; F67-L70 VanDerWaalsContact O-N 3.17Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CE1-CD1 3.63Å; F67-L71 HydrophobicContact CE1-CG 4.4Å; F67-L71 HydrophobicContact CZ-CD1 4.09Å; F67-L71 HydrophobicContact CZ-CG 4.5Å; F67-L71 PolarHBondContact O-N 3.48Å; F67-L71 VanDerWaalsContact O-N 3.1Å
68	R	60.7	Low	57.5	Low	151 Å²	151	92.3 Å²	92.3	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-59.6	-40	174.5	-73.4	175.6	177.4	133.1	6.4	112.5	Q64 E65 S72	Q64-R68 WeakPolarHBondContact O-CG 3.31Å; Q64-R68 PolarHBondContact O-N 2.95Å; Q64-R68 VanDerWaalsContact O-N 3.13Å; E65-R68 PolarHBondContact O-N 2.98Å; R68-S72 WeakPolarHBondContact O-CB 3.47Å; R68-S72 PolarHBondContact O-N 2.88Å; R68-S72 VanDerWaalsContact O-N 3.1Å
69	N	61.3	Low	56.6	Low	81 Å²	81	96.3 Å²	96.3	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-67	-36.5	176.3	-77	-42.5	0	0	0	112.2	E65 N66 F67 S72 V73	E65-N69 WeakPolarHBondContact O-CB 3.37Å; E65-N69 VanDerWaalsContact O-CG 3.31Å; E65-N69 PolarHBondContact O-N 3.18Å; E65-N69 PolarHBondContact O-ND2 3.2Å; N66-N69 PolarHBondContact O-N 2.79Å; F67-N69 VanDerWaalsContact C-N 3.31Å; F67-N69 PolarHBondContact O-N 3.4Å; N69-S72 PolarHBondContact O-N 2.74Å; N69-V73 VanDerWaalsContact O-CG2 3.29Å; N69-V73 WeakPolarHBondContact O-CG2 3.5Å; N69-V73 PolarHBondContact O-N 3.29Å
70	L	62.3	Low	55.3	Low	37 Å²	37	100.5 Å²	100.5	19%	0.194	54%	0.54	C	S	.	.	H	α-helix	trans	-64.6	-47.4	176.5	-164.7	85.7	0	0	0	111.3	L34 F36 V39 N66 F67 S72 V73 G74	L34-L70 HydrophobicContact CB-CD1 4.48Å; F36-L70 HydrophobicContact CB-CD2 3.84Å; F36-L70 HydrophobicContact CD2-CD2 4.35Å; V39-L70 HydrophobicContact CG2-CD1 3.87Å; N66-L70 PolarHBondContact O-N 2.83Å; F67-L70 WeakPolarHBondContact O-CB 3.24Å; F67-L70 PolarHBondContact O-N 3.27Å; F67-L70 VanDerWaalsContact O-N 3.17Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 2.56Å; L70-V73 WeakPolarHBondContact O-CB 3.45Å; L70-V73 PolarHBondContact O-N 3.08Å; L70-G74 PolarHBondContact O-N 3.48Å
71	L	54.8	Low	54.4	Low	107 Å²	107	100.9 Å²	100.9	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-57.1	-44.5	174.8	-66.3	173.7	0	0	0	111.3	F67 V73 G74	F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CE1-CD1 3.63Å; F67-L71 HydrophobicContact CE1-CG 4.4Å; F67-L71 HydrophobicContact CZ-CD1 4.09Å; F67-L71 HydrophobicContact CZ-CG 4.5Å; F67-L71 PolarHBondContact O-N 3.48Å; F67-L71 VanDerWaalsContact O-N 3.1Å; L71-V73 PolarHBondContact O-N 3.22Å; L71-V73 VanDerWaalsContact O-N 3.08Å; L71-G74 PolarHBondContact O-N 3.23Å
72	S	59.3	Low	53.5	Low	94 Å²	94	105.7 Å²	105.7	66%	0.657	57%	0.569	S	S	*	*	H	α-helix	trans	-66.6	-4.8	176.1	-175.4	0	0	0	0	115	R68 N69 L70	R68-S72 WeakPolarHBondContact O-CB 3.47Å; R68-S72 PolarHBondContact O-N 2.88Å; R68-S72 VanDerWaalsContact O-N 3.1Å; N69-S72 PolarHBondContact O-N 2.74Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 2.56Å
73	V	56.8	Low	52.4	Low	94 Å²	94	113.6 Å²	113.6	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-103.8	-26.8	178.4	166.3	0	0	0	0	112.4	N69 L70 L71 D75	N69-V73 VanDerWaalsContact O-CG2 3.29Å; N69-V73 WeakPolarHBondContact O-CG2 3.5Å; N69-V73 PolarHBondContact O-N 3.29Å; L70-V73 WeakPolarHBondContact O-CB 3.45Å; L70-V73 PolarHBondContact O-N 3.08Å; L71-V73 PolarHBondContact O-N 3.22Å; L71-V73 VanDerWaalsContact O-N 3.08Å; V73-D75 VanDerWaalsContact C-N 3.32Å
74	G	50.4	Low	50.6	Low	66 Å²	66	118.1 Å²	118.1	68%	0.68	62%	0.617	S	S	*	*	H	α-helix	trans	-69.7	-28.2	174.9	0	0	0	0	0	113.6	L70 L71 K76	L70-G74 PolarHBondContact O-N 3.48Å; L71-G74 PolarHBondContact O-N 3.23Å; G74-K76 PolarHBondContact O-N 3.25Å
75	D	44.6	Very low	49.8	Very low	112 Å²	112	122.1 Å²	122.1	60%	0.599	64%	0.636	S	S	*	*			trans	-79.2	103.4	-167.9	-157.8	-11	0	0	0	113.6	V73	V73-D75 VanDerWaalsContact C-N 3.32Å
76	K	46.4	Very low	48.4	Very low	182 Å²	182	122.2 Å²	122.2	79%	0.791	64%	0.64	S	S	*	*			trans	-139.8	38.5	177.8	-72	-173.2	-172.4	161	0	113.6	G74	G74-K76 PolarHBondContact O-N 3.25Å
77	N	36.4	Very low	47.2	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	67%	0.669	S	S	*	*			trans	-139.5	94.3	161.3	-94.6	-35.1	0	0	0	110.4	K79	N77-K79 PolarHBondContact O-N 2.98Å
78	G	46.2	Very low	45.8	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	68%	0.68	S	S	*	*			trans	-73.8	85.3	-178.8	0	0	0	0	0	113.2
79	K	42.5	Very low	44.7	Very low	181 Å²	181	131.2 Å²	131.2	79%	0.787	69%	0.693	S	S	*	*	S	Bend	trans	-162.6	158.6	152.1	-104	159.9	-172.8	-174.8	0	109.1	N77	N77-K79 PolarHBondContact O-N 2.98Å
80	D	40.1	Very low	43.4	Very low	153 Å²	153	136.7 Å²	136.7	82%	0.818	71%	0.708	S	S	*	*			trans	63	61.5	175.8	-48.9	-17.9	0	0	0	114.6
81	T	39.4	Very low	41.9	Very low	112 Å²	112	143.8 Å²	143.8	69%	0.687	74%	0.738	S	S	*	*			trans	-117.1	45.3	173.4	-34.1	0	0	0	0	111.9
82	E	42.3	Very low	40.6	Very low	184 Å²	184	148.5 Å²	148.5	86%	0.86	75%	0.754	S	S	*	*	S	Bend	trans	-138.4	20.5	177.9	-134.8	170.9	-151.2	0	0	114.1
83	Y	39.8	Very low	39.6	Very low	224 Å²	224	147.9 Å²	147.9	88%	0.878	75%	0.75	S	S	*	*	S	Bend	trans	-154.7	27.3	166.6	-132.9	-87	0	0	0	116.9
84	I	38.4	Very low	38.4	Very low	117 Å²	117	151.9 Å²	151.9	60%	0.6	76%	0.762	S	S	*	*			trans	-129.2	78.5	172.5	-49.3	-179.3	0	0	0	110.6	E88	I84-E88 HydrophobicContact CG2-CG 4.19Å
85	Q	40.4	Very low	37.5	Very low	186 Å²	186	157.7 Å²	157.7	87%	0.869	77%	0.768	S	S	*	*	S	Bend	trans	-143.3	59.1	168.1	-69.7	-168.2	7.4	0	0	111.1
86	D	34.7	Very low	37	Very low	119 Å²	119	159.3 Å²	159.3	64%	0.636	77%	0.772	S	S	*	*	S	Bend	trans	-169.6	-39.5	153.5	-118.5	-3.6	0	0	0	113.7	L89	D86-L89 WeakPolarHBondContact O-CB 3.38Å; D86-L89 PolarHBondContact O-N 2.89Å
87	E	35	Very low	36.4	Very low	171 Å²	171	156.3 Å²	156.3	80%	0.799	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-77	-36	-163.5	-68.4	-171.3	113	0	0	115.5	L89 R90	E87-L89 PolarHBondContact O-N 3.37Å; E87-R90 PolarHBondContact O-N 3.39Å
88	E	30.8	Very low	36.1	Very low	147 Å²	147	154.3 Å²	154.3	69%	0.687	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-66.1	-17.9	176.8	-67.2	-163.2	130.8	0	0	113.1	I84 R90 F91	I84-E88 HydrophobicContact CG2-CG 4.19Å; E88-R90 PolarHBondContact O-N 3.24Å; E88-R90 VanDerWaalsContact O-N 3.07Å; E88-F91 PolarHBondContact O-N 2.96Å
89	L	36	Very low	35.4	Very low	161 Å²	161	155.1 Å²	155.1	84%	0.843	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-65.9	-9.3	176.6	-137.1	84	0	0	0	113.5	D86 E87	D86-L89 WeakPolarHBondContact O-CB 3.38Å; D86-L89 PolarHBondContact O-N 2.89Å; E87-L89 PolarHBondContact O-N 3.37Å
90	R	35.5	Very low	34.9	Very low	196 Å²	196	150.6 Å²	150.6	74%	0.74	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-101.8	-17.6	179	-56	-169	-171.2	-161.4	5.2	114.6	E87 E88	E87-R90 PolarHBondContact O-N 3.39Å; E88-R90 PolarHBondContact O-N 3.24Å; E88-R90 VanDerWaalsContact O-N 3.07Å
91	F	30.1	Very low	34.5	Very low	186 Å²	186	152 Å²	152	82%	0.816	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-13.4	-167.4	-132.9	-87.2	0	0	0	115	E88	E88-F91 PolarHBondContact O-N 2.96Å
92	F	28.5	Very low	34.3	Very low	207 Å²	207	150.4 Å²	150.4	91%	0.908	73%	0.73	S	S	*	*	S	Bend	trans	-105	72.2	168	-83.5	-81.5	0	0	0	111.6
93	S	36.6	Very low	34	Very low	81 Å²	81	148.9 Å²	148.9	57%	0.566	72%	0.717	S	S	*	*			trans	-117.6	167	169.1	59.8	0	0	0	0	111.7	K95	S93-K95 PolarHBondContact O-N 3.19Å
94	H	32.7	Very low	33.7	Very low	177 Å²	177	147.3 Å²	147.3	82%	0.819	72%	0.717	S	S	*	*	S	Bend	trans	72.9	-0.9	160.1	-118.3	-62	0	0	0	121.9
95	K	30.8	Very low	33.4	Very low	189 Å²	189	149.7 Å²	149.7	82%	0.822	73%	0.726	S	S	*	*	S	Bend	trans	-127.4	-11.7	175.6	-126.5	177.1	-175.2	178.8	0	118.6	S93	S93-K95 PolarHBondContact O-N 3.19Å
96	E	33.5	Very low	33.1	Very low	145 Å²	145	145.9 Å²	145.9	68%	0.678	72%	0.715	S	S	*	*	S	Bend	trans	-124.3	18.8	174.5	-60.7	-155.6	115	0	0	113.6	K37	K37-E96 IonicContact NZ-OE1 2.65Å; K37-E96 PolarHBondContact NZ-OE1 3.39Å; K37-E96 IonicContact NZ-OE2 3.5Å; K37-E96 PolarHBondContact NZ-OE2 3.42Å
97	L	35	Very low	33	Very low	119 Å²	119	144.7 Å²	144.7	62%	0.623	72%	0.722	S	S	*	*			trans	-106.1	16.8	177	-77.6	169.6	0	0	0	113.6	S99 C100	L97-S99 PolarHBondContact O-N 3.43Å; L97-S99 VanDerWaalsContact O-N 3.13Å; L97-C100 PolarHBondContact O-N 2.82Å
98	S	30.5	Very low	33	Very low	106 Å²	106	139 Å²	139	74%	0.741	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-14.4	-173.2	-35.7	0	0	0	0	115.2
99	S	30.8	Very low	32.8	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-11.4	-177.1	45.6	0	0	0	0	114.5	L97 K101	L97-S99 PolarHBondContact O-N 3.43Å; L97-S99 VanDerWaalsContact O-N 3.13Å; S99-K101 VanDerWaalsContact C-N 3.28Å; S99-K101 PolarHBondContact O-N 3.28Å; S99-K101 VanDerWaalsContact O-N 3.09Å
100	C	31.7	Very low	32.5	Very low	86 Å²	86	141.8 Å²	141.8	58%	0.581	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	61.6	176.9	-72.8	0	0	0	0	111.9	L97	L97-C100 PolarHBondContact O-N 2.82Å
101	K	31.4	Very low	32.5	Very low	183 Å²	183	138.6 Å²	138.6	80%	0.796	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	-4.4	175.5	-101.5	-161.6	170.5	-159.9	0	116.6	S99	S99-K101 VanDerWaalsContact C-N 3.28Å; S99-K101 PolarHBondContact O-N 3.28Å; S99-K101 VanDerWaalsContact O-N 3.09Å
102	I	36.2	Very low	32.3	Very low	79 Å²	79	133.1 Å²	133.1	41%	0.405	72%	0.723	S	S	.	*	S	Bend	trans	-95.6	-18	178.1	-63.8	168.6	0	0	0	111.4	E45 E104 E105 V106	E45-I102 VanDerWaalsContact OE1-CD1 3.26Å; E45-I102 WeakPolarHBondContact OE1-CD1 3.37Å; I102-E104 VanDerWaalsContact C-N 3.32Å; I102-E104 PolarHBondContact O-N 3.17Å; I102-E105 PolarHBondContact O-N 3.43Å; I102-V106 HydrophobicContact CG2-CG2 3.86Å
103	W	36.3	Very low	32.4	Very low	152 Å²	152	128.6 Å²	128.6	58%	0.576	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-9.2	-169.8	-84.1	78.5	0	0	0	116.8	L48	L48-W103 HydrophobicContact CD2-CH2 4.12Å; L48-W103 HydrophobicContact CD2-CZ2 3.55Å
104	E	32.1	Very low	31.9	Very low	190 Å²	190	133 Å²	133	89%	0.888	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-15.4	174.9	-67.4	-171.9	133.9	0	0	113.3	I102	I102-E104 VanDerWaalsContact C-N 3.32Å; I102-E104 PolarHBondContact O-N 3.17Å
105	E	32.5	Very low	31.5	Very low	168 Å²	168	130.5 Å²	130.5	79%	0.785	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-30.2	-177.5	-65	-173.6	149	0	0	113.1	I102 A107	I102-E105 PolarHBondContact O-N 3.43Å; E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 2.83Å
106	V	34.8	Very low	31.2	Very low	106 Å²	106	126.7 Å²	126.7	64%	0.642	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-2.1	-176.2	-171.2	0	0	0	0	113.2	I102 G108	I102-V106 HydrophobicContact CG2-CG2 3.86Å; V106-G108 VanDerWaalsContact C-N 3.29Å; V106-G108 PolarHBondContact O-N 3.45Å
107	A	31.9	Very low	30.8	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-5.4	177	0	0	0	0	0	114	E105	E105-A107 VanDerWaalsContact C-N 3.34Å; E105-A107 PolarHBondContact O-N 2.83Å
108	G	35	Very low	30.3	Very low	52 Å²	52	132.2 Å²	132.2	54%	0.536	74%	0.739	S	S	.	*	S	Bend	trans	-99.5	148	177	0	0	0	0	0	113.8	V106	V106-G108 VanDerWaalsContact C-N 3.29Å; V106-G108 PolarHBondContact O-N 3.45Å
109	E	27.8	Very low	30.2	Very low	197 Å²	197	134.5 Å²	134.5	92%	0.921	74%	0.743	S	S	*	*			trans	66.6	85.5	161.3	-52.4	-162.2	177.7	0	0	119.2
110	L	28.7	Very low	30.1	Very low	170 Å²	170	137.3 Å²	137.3	89%	0.89	75%	0.75	S	S	*	*			trans	-92.4	136.2	131	-83.5	166.8	0	0	0	107.2
111	P	36.4	Very low	29.7	Very low	128 Å²	128	142.4 Å²	142.4	83%	0.831	77%	0.765	S	S	*	*				-137.8	179	67.8	39.3	-23	0	0	0	113.3
112	G	25	Very low	29.3	Very low	71 Å²	71	136.8 Å²	136.8	73%	0.732	76%	0.759	S	S	*	*			cis	-176.8	-158.2	8	0	0	0	0	0	111.6
113	S	29.7	Very low	28.9	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	78%	0.777	S	S	*	*			trans	-66.3	140	-173.5	53.6	0	0	0	0	116
114	Q	27.9	Very low	28.3	Very low	175 Å²	175	140.4 Å²	140.4	82%	0.818	78%	0.782	S	S	*	*				-174	176.1	107.4	-103.5	-166.1	-86.1	0	0	117
115	D	24.1	Very low	27.9	Very low	123 Å²	123	140 Å²	140	66%	0.658	78%	0.778	S	S	*	*			trans	-46.8	160.7	-170	-70	-77.5	0	0	0	124
116	C	24.4	Very low	27.4	Very low	110 Å²	110	141.2 Å²	141.2	74%	0.743	78%	0.783	S	S	*	*			trans	69.3	118.2	139.4	-77.1	0	0	0	0	124.5
117	R	24.9	Very low	26.7	Very low	240 Å²	240	144.5 Å²	144.5	91%	0.906	79%	0.789	S	S	*	*				30.7	132.8	129.2	-77.6	-179.9	160.4	-174.5	-4.5	120.9
118	V	24.7	Very low	26.2	Very low	140 Å²	140	144.2 Å²	144.2	85%	0.848	78%	0.782	S	S	*	*				-163.3	162.7	124.1	130.9	0	0	0	0	111.4
119	N	28.8	Very low	25.8	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	79%	0.792	S	S	*	*			trans	-112	147.3	173.9	-80.7	-46.5	0	0	0	111.3
120	L	27.3	Very low	25.5	Very low	155 Å²	155	147.3 Å²	147.3	81%	0.812	79%	0.787	S	S	*	*			trans	-177.9	139	152.1	-89.1	138.8	0	0	0	105.8
121	Q	23.3	Very low	25.2	Very low	192 Å²	192	143.5 Å²	143.5	90%	0.897	78%	0.78	S	S	*	*			cis	99.1	104	19	-165.4	176.6	13.4	0	0	115.3
122	G	23.6	Very low	24.8	Very low	66 Å²	66	141.8 Å²	141.8	68%	0.68	78%	0.776	S	S	*	*			trans	146.9	136.3	177.6	0	0	0	0	0	109.3
123	K	27.3	Very low	25.3	Very low	181 Å²	181	143.8 Å²	143.8	79%	0.787	78%	0.776	S	S	*	*			cis	74.8	136.2	44.7	-77.1	-176.3	139.3	-84.3	0	113.2
124	D	23.7	Very low	25	Very low	126 Å²	126	146.7 Å²	146.7	67%	0.674	78%	0.777	S	S	*	*			cis	-144.6	-171	9.2	-103.7	-40.1	0	0	0	113.2
125	F	23.2	Very low	25	Very low	182 Å²	182	145.5 Å²	145.5	80%	0.798	77%	0.772	S	S	*	*			trans	-77	159.6	-178.5	-93.1	-109.8	0	0	0	115.6
126	Q	22.1	Very low	24.9	Very low	193 Å²	193	143 Å²	143	90%	0.902	78%	0.776	S	S	*	*			trans	-149.4	164.7	140.5	-139.8	164.4	-2.3	0	0	111.9
127	F	19.8	Very low	24.8	Very low	175 Å²	175	148.2 Å²	148.2	77%	0.768	78%	0.779	S	S	*	*			trans	-154.6	167.6	-167.2	-137.8	-87.7	0	0	0	110.9
128	S	22.8	Very low	24.7	Very low	87 Å²	87	145.6 Å²	145.6	61%	0.608	78%	0.778	S	S	*	*			trans	66.6	159.4	170	-74.9	0	0	0	0	117.2
129	E	25.6	Very low	24.6	Very low	160 Å²	160	142.6 Å²	142.6	75%	0.748	78%	0.775	S	S	*	*			cis	-151.5	152.5	-21	-114.7	156.2	133.9	0	0	106.7
130	D	22.7	Very low	24.3	Very low	154 Å²	154	139.7 Å²	139.7	82%	0.824	77%	0.773	S	S	*	*				158.8	171.7	96.5	-93.9	-41.8	0	0	0	106.3
131	A	22.1	Very low	24.1	Very low	89 Å²	89	138.2 Å²	138.2	74%	0.736	78%	0.775	S	S	*	*			cis	-170.5	153.5	-36.9	0	0	0	0	0	106.7
132	A	27.7	Very low	23.9	Very low	92 Å²	92	135.4 Å²	135.4	76%	0.76	77%	0.771	S	S	*	*			trans	-89.8	179.3	179	0	0	0	0	0	112.4
133	P	35	Very low	24.8	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	77%	0.771	S	S	*	*				-154.8	154.3	94.2	39.7	-21.6	0	0	0	118.1
134	H	24.9	Very low	24.4	Very low	173 Å²	173	133.6 Å²	133.6	80%	0.801	77%	0.767	S	S	*	*			trans	36.3	163.7	131.1	-65.6	-70.3	0	0	0	123.4
135	Q	27	Very low	24.2	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	78%	0.776	S	S	*	*			cis	-155.2	168.9	13.4	-143.7	158.5	23.7	0	0	113
136	G	20.9	Very low	24.9	Very low	71 Å²	71	133.4 Å²	133.4	73%	0.732	77%	0.772	S	S	*	*			trans	175.4	104.7	167.4	0	0	0	0	0	114.6
137	W	22.4	Very low	25	Very low	218 Å²	218	131.1 Å²	131.1	83%	0.826	76%	0.764	S	S	*	*			trans	-96.7	179.2	165.7	-65.6	-50.1	0	0	0	109.5
138	E	24	Very low	25.2	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.864	76%	0.763	S	S	*	*			cis	-158.6	174.2	9.8	-151.9	164.6	-134.8	0	0	111
139	G	22.6	Very low	25.4	Very low	77 Å²	77	130.9 Å²	130.9	79%	0.794	76%	0.759	S	S	*	*			trans	153.1	114.7	165.6	0	0	0	0	0	114.3
140	A	22.8	Very low	25.3	Very low	94 Å²	94	131.9 Å²	131.9	78%	0.777	76%	0.762	S	S	*	*			trans	-133	167.2	-167.4	0	0	0	0	0	115.2
141	S	22	Very low	25.3	Very low	123 Å²	123	130.3 Å²	130.3	86%	0.86	75%	0.752	S	S	*	*			trans	-162.5	139.3	167.5	-76.7	0	0	0	0	113.1
142	T	20.6	Very low	25.4	Very low	134 Å²	134	132.2 Å²	132.2	82%	0.822	75%	0.75	S	S	*	*			trans	-161.9	-174.9	-174.4	0.3	0	0	0	0	107.8
143	P	42.1	Very low	25.3	Very low	103 Å²	103	131.9 Å²	131.9	67%	0.669	74%	0.742	S	S	*	*			cis	-135.7	-164.8	-16.6	28.2	-2.7	0	0	0	114.3
144	C	19	Very low	24.9	Very low	106 Å²	106	133.4 Å²	133.4	72%	0.716	74%	0.744	S	S	*	*			trans	128.8	97.9	139.2	-72	0	0	0	0	120.1
145	F	19.7	Very low	24.8	Very low	192 Å²	192	134 Å²	134	84%	0.842	75%	0.747	S	S	*	*				26.1	169.2	114.1	-68.7	-68.3	0	0	0	123.2
146	P	37.9	Very low	24.7	Very low	112 Å²	112	130.5 Å²	130.5	73%	0.727	75%	0.751	S	S	*	*			cis	-115.9	-147.6	-1.2	19.8	6.5	0	0	0	112.8
147	I	23.2	Very low	24.8	Very low	144 Å²	144	135.5 Å²	135.5	74%	0.738	76%	0.761	S	S	*	*			cis	-149	141.8	16.3	-64.4	172.1	0	0	0	112.6
148	E	25	Very low	24.9	Very low	158 Å²	158	128.8 Å²	128.8	74%	0.738	76%	0.76	S	S	*	*			trans	-13.1	170.3	146.5	-63.5	-172.2	119.7	0	0	122.7
149	N	26.3	Very low	25	Very low	99 Å²	99	128.3 Å²	128.3	53%	0.529	76%	0.762	S	S	.	*			cis	-157.9	-174.7	-11.7	-99.9	-13.5	0	0	0	107.3
150	F	22.8	Very low	25.1	Very low	182 Å²	182	132.3 Å²	132.3	80%	0.798	76%	0.764	S	S	*	*			cis	-134.1	170.9	18.6	-82.9	-108.2	0	0	0	109
151	L	23.6	Very low	25.1	Very low	120 Å²	120	131 Å²	131	63%	0.628	76%	0.758	S	S	*	*			cis	75.2	142.8	33.5	-54.9	175.2	0	0	0	113.8
152	D	24.8	Very low	25.3	Very low	130 Å²	130	133 Å²	133	70%	0.695	76%	0.759	S	S	*	*			cis	-164.1	175.9	1.9	-127.6	-31	0	0	0	108.6
153	S	24.8	Very low	25.4	Very low	85 Å²	85	134.4 Å²	134.4	59%	0.594	76%	0.756	S	S	*	*			cis	-164.4	-161.8	-7.6	-147.3	0	0	0	0	111.2
154	L	26.5	Very low	24.6	Very low	145 Å²	145	137.4 Å²	137.4	76%	0.759	77%	0.767	S	S	*	*			trans	77.7	117	164.2	-52	177.2	0	0	0	117.8
155	Q	23.5	Very low	25	Very low	186 Å²	186	140.8 Å²	140.8	87%	0.869	77%	0.772	S	S	*	*			cis	96.2	132.9	33.9	-72.4	-172.6	-23.1	0	0	115.3
156	G	24.5	Very low	25.2	Very low	77 Å²	77	140.4 Å²	140.4	79%	0.794	77%	0.773	S	S	*	*			trans	153.3	88.5	169.6	0	0	0	0	0	115.1
157	D	23.7	Very low	24.5	Very low	176 Å²	176	144.7 Å²	144.7	94%	0.941	78%	0.78	S	S	*	*			trans	-88.2	151.3	173	-71.2	-69.3	0	0	0	112.8
158	G	24.1	Very low	24.7	Very low	77 Å²	77	143.5 Å²	143.5	79%	0.794	78%	0.782	S	S	*	*			trans	161.2	111.9	168.4	0	0	0	0	0	116.2
159	L	25.1	Very low	24.6	Very low	174 Å²	174	140.5 Å²	140.5	91%	0.911	78%	0.784	S	S	*	*			trans	-77.4	167.3	165.6	-64.3	131.8	0	0	0	109.5
160	I	25.4	Very low	24.4	Very low	162 Å²	162	147.7 Å²	147.7	83%	0.831	80%	0.804	S	S	*	*			cis	-150	134.5	33.7	-65.3	166.2	0	0	0	111.6
161	G	22.1	Very low	24.3	Very low	65 Å²	65	150.3 Å²	150.3	67%	0.67	81%	0.808	S	S	*	*			trans	58.7	117.7	135.2	0	0	0	0	0	123.1
162	L	27.3	Very low	24.3	Very low	165 Å²	165	149.1 Å²	149.1	86%	0.864	82%	0.816	S	S	*	*				-151.2	163.5	116.5	-138.2	73.9	0	0	0	111.5
163	E	23.2	Very low	24.2	Very low	165 Å²	165	151 Å²	151	77%	0.771	82%	0.824	S	S	*	*			trans	-24.4	120.2	-172.7	-62.6	176.7	118.9	0	0	119.5	Q165	E163-Q165 PolarHBondContact O-N 3.31Å
164	N	24.4	Very low	24	Very low	166 Å²	166	156.8 Å²	156.8	89%	0.888	83%	0.833	S	S	*	*			trans	-70	104.5	159.7	-82.1	-55.5	0	0	0	110.1	Q166	N164-Q166 PolarHBondContact O-N 2.86Å
165	Q	26.8	Very low	23.9	Very low	176 Å²	176	156.3 Å²	156.3	82%	0.822	84%	0.839	S	S	*	*			trans	-66.2	131.3	173.3	-73.2	-167.1	-3.6	0	0	112	E163 F167	E163-Q165 PolarHBondContact O-N 3.31Å; Q165-F167 PolarHBondContact O-N 3.06Å
166	Q	24.3	Very low	23.8	Very low	185 Å²	185	153.4 Å²	153.4	86%	0.864	83%	0.828	S	S	*	*			trans	-78	109.7	-166.8	-172.1	173.9	23.8	0	0	112.1	N164 P168	N164-Q166 PolarHBondContact O-N 2.86Å; Q166-P168 WeakPolarHBondContact O-CD 3.23Å
167	F	24	Very low	24.3	Very low	202 Å²	202	154.5 Å²	154.5	89%	0.886	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72	117	170.5	-84.2	-87.2	0	0	0	111.2	Q165	Q165-F167 PolarHBondContact O-N 3.06Å
168	P	25.9	Very low	24.3	Very low	119 Å²	119	153.9 Å²	153.9	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.8	148.1	-179.6	-16.5	33.5	0	0	0	113.1	Q166	Q166-P168 WeakPolarHBondContact O-CD 3.23Å
169	A	22.8	Very low	24.2	Very low	94 Å²	94	158.4 Å²	158.4	78%	0.777	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-75.7	137.4	-178.1	0	0	0	0	0	113.4	R171	A169-R171 PolarHBondContact O-N 3.26Å
170	W	22.1	Very low	24.1	Very low	250 Å²	250	153.3 Å²	153.3	95%	0.947	81%	0.806	S	S	*	*			trans	-83.7	97.1	172.1	60.7	-82.3	0	0	0	111.3
171	R	22.3	Very low	24	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	80%	0.796	S	S	*	*			trans	-92.3	120.9	166.4	-84.3	-171.1	173.8	-174.1	0.3	111.1	A169	A169-R171 PolarHBondContact O-N 3.26Å
172	A	22.7	Very low	24	Very low	95 Å²	95	157.7 Å²	157.7	79%	0.785	81%	0.805	S	S	*	*			trans	38.3	95.9	151.9	0	0	0	0	0	119
173	I	22.9	Very low	23.8	Very low	170 Å²	170	154 Å²	154	87%	0.872	80%	0.799	S	S	*	*			trans	-105.5	144.6	150.9	-63.9	-179.2	0	0	0	108.8
174	R	20.7	Very low	24.1	Very low	206 Å²	206	156.1 Å²	156.1	78%	0.777	81%	0.806	S	S	*	*			trans	-80.1	141	-166.5	-51.8	176.3	-173.1	172.9	-0.5	112.5	I176	R174-I176 HydrophobicContact CB-CD1 3.97Å; R174-I176 HydrophobicContact CB-CG1 3.7Å; R174-I176 PolarHBondContact O-N 3.39Å
175	P	23.8	Very low	23.9	Very low	136 Å²	136	152.3 Å²	152.3	88%	0.883	80%	0.797	S	S	*	*			trans	-84.1	93.8	169.3	32.7	-32.2	0	0	0	111.4
176	I	22.1	Very low	23.6	Very low	124 Å²	124	153.9 Å²	153.9	64%	0.636	80%	0.802	S	S	*	*			trans	-147.4	162.3	175.5	0.8	177.2	0	0	0	110.6	R174	R174-I176 HydrophobicContact CB-CD1 3.97Å; R174-I176 HydrophobicContact CB-CG1 3.7Å; R174-I176 PolarHBondContact O-N 3.39Å
177	P	34.2	Very low	23.7	Very low	101 Å²	101	150.7 Å²	150.7	66%	0.656	80%	0.795	S	S	*	*				-136.2	166.5	-95.4	43.7	-28.9	0	0	0	116.2
178	I	23.5	Very low	23.7	Very low	163 Å²	163	148.1 Å²	148.1	84%	0.836	79%	0.79	S	S	*	*			trans	-143.2	104	145.1	-52	-178.6	0	0	0	105.1
179	Q	23.2	Very low	23.5	Very low	171 Å²	171	151.6 Å²	151.6	80%	0.799	80%	0.796	S	S	*	*				72.9	133.2	67.6	-155.7	173.6	20.2	0	0	111.6
180	G	22.8	Very low	24	Very low	67 Å²	67	155.6 Å²	155.6	69%	0.691	80%	0.804	S	S	*	*			cis	-129.1	148.8	19	0	0	0	0	0	118.6
181	S	23.4	Very low	24.1	Very low	89 Å²	89	146.7 Å²	146.7	62%	0.622	79%	0.789	S	S	*	*			trans	-58	170.1	144.3	46.2	0	0	0	0	110.8
182	W	22	Very low	24.5	Very low	230 Å²	230	140.7 Å²	140.7	87%	0.871	78%	0.775	S	S	*	*			cis	-144.5	139	38.5	-78.7	76.2	0	0	0	110
183	A	22.4	Very low	24.7	Very low	88 Å²	88	142.2 Å²	142.2	73%	0.727	77%	0.774	S	S	*	*				83.3	159.5	75.9	0	0	0	0	0	114.5
184	K	29.2	Very low	25	Very low	209 Å²	209	141.9 Å²	141.9	91%	0.909	77%	0.769	S	S	*	*			trans	-91.4	138.5	-173.3	-61.3	170.1	177.6	174	0	112
185	A	21.4	Very low	25.4	Very low	87 Å²	87	137.6 Å²	137.6	72%	0.719	76%	0.757	S	S	*	*				-174.1	123.9	128.5	0	0	0	0	0	111.1
186	F	20.4	Very low	25.6	Very low	209 Å²	209	142.4 Å²	142.4	92%	0.917	76%	0.758	S	S	*	*				-168.5	158.8	109.4	-115.5	-83.6	0	0	0	110
187	V	25.3	Very low	25.9	Very low	117 Å²	117	142 Å²	142	71%	0.709	77%	0.765	S	S	*	*			trans	-123.9	147.9	-179.2	169.8	0	0	0	0	108.5
188	N	24.6	Very low	25.7	Very low	148 Å²	148	143.7 Å²	143.7	79%	0.791	76%	0.762	S	S	*	*			trans	17.6	112.8	166.6	-57.5	-6.7	0	0	0	118.2
189	Q	22	Very low	25.9	Very low	192 Å²	192	143.6 Å²	143.6	90%	0.897	76%	0.763	S	S	*	*			trans	-126.2	140.9	130.5	-74.7	-169.6	-20.6	0	0	108.7
190	L	32.9	Very low	26	Very low	179 Å²	179	143.8 Å²	143.8	94%	0.937	77%	0.769	S	S	*	*			trans	-71.8	126.7	158	-84.1	74.8	0	0	0	106.4
191	G	24.6	Very low	26.1	Very low	62 Å²	62	148 Å²	148	64%	0.639	78%	0.776	S	S	*	*			trans	-153.1	95.9	-175.9	0	0	0	0	0	109.2	V193	G191-V193 PolarHBondContact O-N 3.46Å
192	D	29.7	Very low	26.2	Very low	111 Å²	111	149.6 Å²	149.6	59%	0.594	78%	0.782	S	S	*	*			trans	-28.3	109.5	-170.7	-151.7	-47.6	0	0	0	116.9	Q194 E195	D192-Q194 VanDerWaalsContact OD1-CA 3.3Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.27Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.39Å; D192-Q194 PolarHBondContact OD1-N 2.88Å; D192-E195 HydrophobicContact CB-CG 4.48Å; D192-E195 PolarHBondContact OD1-N 3Å
193	V	27.6	Very low	26.4	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	78%	0.782	S	S	*	*	S	Bend	trans	-95.5	-4.9	170.3	-175.4	0	0	0	0	111.1	G191	G191-V193 PolarHBondContact O-N 3.46Å
194	Q	29.1	Very low	26.5	Very low	163 Å²	163	150.4 Å²	150.4	76%	0.762	79%	0.785	S	S	*	*	S	Bend	trans	-90	-31.2	-173.5	-167.3	164.8	-16.8	0	0	112.3	D192 R196 C197	D192-Q194 VanDerWaalsContact OD1-CA 3.3Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.27Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.39Å; D192-Q194 PolarHBondContact OD1-N 2.88Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.21Å; Q194-C197 PolarHBondContact O-N 3.29Å
195	E	29.2	Very low	26.4	Very low	116 Å²	116	146.3 Å²	146.3	54%	0.542	78%	0.777	S	S	.	*	G	3₁₀ helix	trans	-67.3	-27.3	174.3	-73.2	-102.9	101.2	0	0	113.2	D192 C197 K198	D192-E195 HydrophobicContact CB-CG 4.48Å; D192-E195 PolarHBondContact OD1-N 3Å; E195-C197 PolarHBondContact O-N 3.24Å; E195-C197 VanDerWaalsContact O-N 3.17Å; E195-K198 PolarHBondContact O-N 3.42Å; E195-K198 IonicContact OE1-NZ 3.08Å; E195-K198 PolarHBondContact OE1-NZ 2.85Å
196	R	27.6	Very low	26.5	Very low	237 Å²	237	148.7 Å²	148.7	89%	0.894	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-74.9	-2	179.5	-143.9	176.7	-164.1	158.2	8.1	114.4	Q194	Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.21Å
197	C	28.1	Very low	26.6	Very low	116 Å²	116	149 Å²	149	78%	0.784	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-103.9	11.4	174.8	-69.3	0	0	0	0	113.5	Q194 E195	Q194-C197 PolarHBondContact O-N 3.29Å; E195-C197 PolarHBondContact O-N 3.24Å; E195-C197 VanDerWaalsContact O-N 3.17Å
198	K	30.3	Very low	26.4	Very low	137 Å²	137	152.3 Å²	152.3	60%	0.596	78%	0.784	S	S	*	*			trans	-108.2	88.7	169.4	-63.8	177.4	-165.5	155.9	0	110.3	E195	E195-K198 PolarHBondContact O-N 3.42Å; E195-K198 IonicContact OE1-NZ 3.08Å; E195-K198 PolarHBondContact OE1-NZ 2.85Å
199	N	28.4	Very low	26.3	Very low	160 Å²	160	150 Å²	150	86%	0.856	78%	0.778	S	S	*	*	S	Bend	trans	162.8	99.1	149.9	-87	-26.2	0	0	0	109.7
200	L	25.7	Very low	26.3	Very low	176 Å²	176	146.9 Å²	146.9	92%	0.921	77%	0.768	S	S	*	*			trans	148.3	65	153.6	-81.6	168.6	0	0	0	110.3
201	D	23.7	Very low	25.8	Very low	155 Å²	155	148 Å²	148	83%	0.829	76%	0.76	S	S	*	*			trans	-67.6	128.7	146.9	-73.1	-62.3	0	0	0	108
202	T	26.2	Very low	25.6	Very low	123 Å²	123	151.9 Å²	151.9	76%	0.755	77%	0.766	S	S	*	*				174.2	134.1	107.2	42.2	0	0	0	0	110
203	E	25.8	Very low	25.3	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.883	77%	0.77	S	S	*	*			trans	46	107.3	146.7	-56.2	-175	161.3	0	0	119.7
204	D	25	Very low	25.3	Very low	146 Å²	146	151.8 Å²	151.8	78%	0.781	76%	0.761	S	S	*	*				-155.5	167.2	101.4	-146	-24.5	0	0	0	111.8	V206	D204-V206 PolarHBondContact O-N 2.97Å
205	T	27.3	Very low	25.1	Very low	122 Å²	122	147.2 Å²	147.2	75%	0.748	75%	0.747	S	S	*	*			trans	-82.7	106.9	-159.5	46.4	0	0	0	0	114.8	Y207	T205-Y207 PolarHBondContact O-N 3.33Å
206	V	22.9	Very low	24.8	Very low	137 Å²	137	148.8 Å²	148.8	83%	0.83	75%	0.753	S	S	*	*			trans	-85	108.8	172.2	-179.5	0	0	0	0	111.3	D204 K208	D204-V206 PolarHBondContact O-N 2.97Å; V206-K208 PolarHBondContact O-N 2.72Å
207	Y	22.2	Very low	24.6	Very low	215 Å²	215	141.3 Å²	141.3	84%	0.843	74%	0.735	S	S	*	*			trans	-61.1	118.4	171.1	-114.6	-96.1	0	0	0	111.6	T205 C209	T205-Y207 PolarHBondContact O-N 3.33Å; Y207-C209 PolarHBondContact O-N 3Å
208	K	22.1	Very low	24.3	Very low	188 Å²	188	145.4 Å²	145.4	82%	0.817	74%	0.735	S	S	*	*			trans	-69.6	107.8	170.3	-80.3	-177.7	176	175.3	0	110.6	V206	V206-K208 PolarHBondContact O-N 2.72Å
209	C	22.5	Very low	24	Very low	98 Å²	98	145.4 Å²	145.4	66%	0.662	74%	0.74	S	S	*	*			trans	-86.2	104.5	160.4	-73.3	0	0	0	0	110	Y207	Y207-C209 PolarHBondContact O-N 3Å
210	N	20.7	Very low	23.8	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	71%	0.712	S	S	*	*			trans	-62.4	137	166.2	-68	2.1	0	0	0	109.6
211	W	22.3	Very low	23.6	Very low	201 Å²	201	136.7 Å²	136.7	76%	0.761	71%	0.705	S	S	*	*			trans	-126.5	50.7	178.4	-88.3	86.5	0	0	0	110.7	D213 R694	W211-D213 PolarHBondContact O-N 3.16Å; W211-R694 VanDerWaalsContact CH2-NH1 3.29Å
212	D	21.6	Very low	23.6	Very low	144 Å²	144	133.9 Å²	133.9	77%	0.77	69%	0.686	S	S	*	*			trans	-83.5	97	172.5	-58.2	-62.1	0	0	0	110.2
213	D	23.7	Very low	23.5	Very low	126 Å²	126	130.6 Å²	130.6	67%	0.674	67%	0.666	S	S	*	*			trans	-160.8	101.1	159.4	-156.2	-17.1	0	0	0	109.8	W211 S215	W211-D213 PolarHBondContact O-N 3.16Å; D213-S215 PolarHBondContact O-N 3.25Å; D213-S215 PolarHBondContact OD1-OG 2.82Å
214	D	28.1	Very low	23.4	Very low	110 Å²	110	127.3 Å²	127.3	59%	0.588	66%	0.655	S	S	*	*			trans	-77.7	58.4	-173.3	-170.1	30.3	0	0	0	112.9	F216	D214-F216 VanDerWaalsContact OD1-CD2 3.32Å; D214-F216 WeakPolarHBondContact OD1-CD2 3.19Å; D214-F216 VanDerWaalsContact OD1-CE2 3.27Å; D214-F216 WeakPolarHBondContact OD1-CE2 3.47Å
215	S	22.9	Very low	23.3	Very low	67 Å²	67	128.8 Å²	128.8	47%	0.469	66%	0.656	S	S	.	*			trans	-104.8	80.7	-176.9	-82.5	0	0	0	0	111.4	D213 C217	D213-S215 PolarHBondContact O-N 3.25Å; D213-S215 PolarHBondContact OD1-OG 2.82Å; S215-C217 PolarHBondContact O-N 3.25Å
216	F	25	Very low	23.1	Very low	150 Å²	150	134.6 Å²	134.6	66%	0.658	67%	0.665	S	S	*	*			trans	-61.8	70.5	174.9	-90.1	-92.5	0	0	0	113.9	D214 W218	D214-F216 VanDerWaalsContact OD1-CD2 3.32Å; D214-F216 WeakPolarHBondContact OD1-CD2 3.19Å; D214-F216 VanDerWaalsContact OD1-CE2 3.27Å; D214-F216 WeakPolarHBondContact OD1-CE2 3.47Å; F216-W218 PolarHBondContact O-N 3.5Å
217	C	22.1	Very low	23.1	Very low	79 Å²	79	134.7 Å²	134.7	53%	0.534	65%	0.654	S	S	.	*			trans	-88.3	102.8	-178.4	-149.4	0	0	0	0	110.8	S215 I219	S215-C217 PolarHBondContact O-N 3.25Å; C217-I219 PolarHBondContact O-N 3.03Å
218	W	22.3	Very low	23.2	Very low	203 Å²	203	129.8 Å²	129.8	77%	0.769	65%	0.649	S	S	*	*			trans	-63.4	103	175	-77.2	69.9	0	0	0	111	F216 S220 K667	F216-W218 PolarHBondContact O-N 3.5Å; W218-S220 PolarHBondContact O-N 3.12Å; W218-K667 PolarHBondContact O-NZ 2.81Å
219	I	23.1	Very low	23.5	Very low	136 Å²	136	130.4 Å²	130.4	70%	0.697	66%	0.655	S	S	*	*			trans	-85.2	82.5	171.1	-56.3	-177.8	0	0	0	108.3	C217 C221	C217-I219 PolarHBondContact O-N 3.03Å; I219-C221 PolarHBondContact O-N 3.36Å; I219-C221 VanDerWaalsContact O-N 3.12Å
220	S	24.4	Very low	23.7	Very low	39 Å²	39	133.5 Å²	133.5	27%	0.273	66%	0.663	S	S	.	*			trans	-61.9	108.5	159.8	-175.4	0	0	0	0	108.1	W218 H222	W218-S220 PolarHBondContact O-N 3.12Å; S220-H222 PolarHBondContact O-N 2.99Å; S220-H222 VanDerWaalsContact O-N 3.11Å
221	C	22	Very low	24	Very low	114 Å²	114	134.3 Å²	134.3	77%	0.77	67%	0.667	S	S	*	*			trans	-64.4	109.6	-179.3	-63.9	0	0	0	0	110.7	I219	I219-C221 PolarHBondContact O-N 3.36Å; I219-C221 VanDerWaalsContact O-N 3.12Å
222	H	23.5	Very low	24.3	Very low	96 Å²	96	133.6 Å²	133.6	44%	0.444	67%	0.669	S	S	.	*			trans	-95.6	130.9	170.8	-97.7	-68.5	0	0	0	111.2	S220 S664	S220-H222 PolarHBondContact O-N 2.99Å; S220-H222 VanDerWaalsContact O-N 3.11Å; H222-S664 PolarHBondContact NE2-OG 3.37Å
223	V	24.3	Very low	24.6	Very low	55 Å²	55	133 Å²	133	33%	0.333	67%	0.673	S	S	.	*			trans	-59.1	158.7	157.3	-115.5	0	0	0	0	110
224	D	23.2	Very low	24.8	Very low	120 Å²	120	132.7 Å²	132.7	64%	0.642	68%	0.68	S	S	*	*			cis	-144.3	155.4	27.7	-80.8	-69.5	0	0	0	114.6
225	H	23.4	Very low	25	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.815	70%	0.695	S	S	*	*				-170.5	134.7	125.3	-95.9	-62.2	0	0	0	109.8
226	R	22.8	Very low	25.3	Very low	244 Å²	244	132.1 Å²	132.1	92%	0.921	70%	0.697	S	S	*	*			trans	-66.4	133.2	167.1	-83.6	-175.2	174.6	-175.5	-2.2	109.9
227	F	22.5	Very low	25.8	Very low	139 Å²	139	133.5 Å²	133.5	61%	0.61	71%	0.711	S	S	*	*			trans	-136	154.2	149.2	-85.1	-82	0	0	0	108.1
228	P	24.1	Very low	26.4	Very low	112 Å²	112	138.6 Å²	138.6	73%	0.727	73%	0.725	S	S	*	*			trans	-66.8	162.9	-177.4	-19.7	33.5	0	0	0	113.3
229	E	29.2	Very low	26.9	Very low	202 Å²	202	134.8 Å²	134.8	94%	0.944	73%	0.727	S	S	*	*			trans	-69.9	131.6	170.1	-62.5	174.2	135.8	0	0	109.9
230	I	26.5	Very low	27.3	Very low	162 Å²	162	139.6 Å²	139.6	83%	0.831	74%	0.737	S	S	*	*			trans	-140.5	146.8	168.8	-61.9	-176.1	0	0	0	107.1
231	D	27.8	Very low	27.7	Very low	145 Å²	145	146.6 Å²	146.6	78%	0.775	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-66.3	168.8	-156.9	-85.2	-76.4	0	0	0	119.7
232	K	27.8	Very low	28.1	Very low	186 Å²	186	149.1 Å²	149.1	81%	0.809	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-48.1	135.3	174.2	-60.7	157.4	-176.6	163.8	0	111.9	C234	K232-C234 PolarHBondContact O-N 2.78Å
233	P	27.4	Very low	28.2	Very low	132 Å²	132	149.8 Å²	149.8	86%	0.857	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.2	125.4	165.7	-18.3	31.3	0	0	0	110.4
234	C	27.8	Very low	28.4	Very low	120 Å²	120	155.2 Å²	155.2	81%	0.811	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.9	136.7	173.4	70.5	0	0	0	0	111	K232	K232-C234 PolarHBondContact O-N 2.78Å
235	G	33.2	Very low	28.7	Very low	88 Å²	88	157.8 Å²	157.8	91%	0.907	81%	0.813	S	S	*	*			trans	-96.8	98.4	170.8	0	0	0	0	0	110.1
236	C	29.9	Very low	28.8	Very low	76 Å²	76	157.1 Å²	157.1	51%	0.514	82%	0.816	S	S	.	*			trans	-136.4	95.6	179.6	-171.9	0	0	0	0	112.1	K238	C236-K238 PolarHBondContact O-N 2.94Å
237	N	33.7	Very low	28.8	Very low	179 Å²	179	150.6 Å²	150.6	96%	0.957	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	48	173.8	-75.8	-18.7	0	0	0	112.1
238	K	36.5	Very low	28.9	Very low	186 Å²	186	149.8 Å²	149.8	81%	0.809	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	-1.9	-176.2	-116.2	-179.4	-179.5	-176.7	0	117	C236 R240	C236-K238 PolarHBondContact O-N 2.94Å; K238-R240 VanDerWaalsContact C-N 3.35Å; K238-R240 PolarHBondContact O-N 3.45Å
239	C	31.8	Very low	29	Very low	123 Å²	123	151.3 Å²	151.3	83%	0.831	82%	0.815	S	S	*	*			trans	-94.5	45.2	175.6	-54.1	0	0	0	0	112.9
240	R	30.9	Very low	28.8	Very low	238 Å²	238	150.1 Å²	150.1	90%	0.898	81%	0.809	S	S	*	*	S	Bend	trans	-129.2	49.9	177.6	-158.6	-170.1	178.4	-171.5	-0.5	112.9	K238	K238-R240 VanDerWaalsContact C-N 3.35Å; K238-R240 PolarHBondContact O-N 3.45Å
241	K	34.1	Very low	28.6	Very low	186 Å²	186	153.2 Å²	153.2	81%	0.809	81%	0.811	S	S	*	*	S	Bend	trans	-159.7	157.3	154.8	-99.5	152.1	-175.8	-176.4	0	105.7
242	D	29.3	Very low	28.4	Very low	166 Å²	166	153.9 Å²	153.9	89%	0.888	81%	0.813	S	S	*	*			trans	58.6	99.9	-176.8	-41.9	-37.6	0	0	0	113
243	C	27.2	Very low	28.2	Very low	111 Å²	111	152.4 Å²	152.4	75%	0.75	81%	0.813	S	S	*	*			cis	-149.7	122.9	49.8	179.4	0	0	0	0	112.6
244	I	28.6	Very low	28.9	Very low	169 Å²	169	152 Å²	152	87%	0.867	81%	0.81	S	S	*	*			trans	-120.9	93.4	154.6	-62	177.6	0	0	0	106.7
245	K	27.9	Very low	28.7	Very low	173 Å²	173	149.6 Å²	149.6	75%	0.752	81%	0.806	S	S	*	*			trans	172.6	97.7	155.5	-99.7	163	-175.3	-177	0	110
246	N	25.2	Very low	28.4	Very low	162 Å²	162	153.9 Å²	153.9	87%	0.866	80%	0.803	S	S	*	*				-178	152	105.1	-88	-11.5	0	0	0	110.9
247	S	24.3	Very low	28.2	Very low	108 Å²	108	158.2 Å²	158.2	76%	0.755	82%	0.821	S	S	*	*			trans	-108	-174.6	-179.2	48.5	0	0	0	0	110.8
248	V	24.6	Very low	27.7	Very low	122 Å²	122	153.1 Å²	153.1	74%	0.739	81%	0.81	S	S	*	*			trans	92.8	121.4	164	-173.1	0	0	0	0	117.4
249	L	26.4	Very low	27.1	Very low	144 Å²	144	152.1 Å²	152.1	75%	0.754	81%	0.813	S	S	*	*			trans	29.5	123.9	155.2	-67.8	161.7	0	0	0	120.8
250	H	23.6	Very low	26.8	Very low	176 Å²	176	156 Å²	156	82%	0.815	82%	0.816	S	S	*	*				-152.6	142.7	95	-123	-85.2	0	0	0	113.8
251	R	23.1	Very low	26.5	Very low	228 Å²	228	149.8 Å²	149.8	86%	0.86	81%	0.809	S	S	*	*			trans	-91.3	139.6	156.9	-75.3	-178.1	174.8	-174.6	-0.4	108.3
252	I	23.6	Very low	26	Very low	159 Å²	159	148.7 Å²	148.7	82%	0.815	81%	0.812	S	S	*	*			trans	-140.2	143.5	142.7	-62.6	-171.9	0	0	0	106.7
253	N	22.8	Very low	25.6	Very low	154 Å²	154	148 Å²	148	82%	0.824	80%	0.804	S	S	*	*			trans	-126.2	178.2	177.5	-129.6	13.6	0	0	0	108.6
254	P	43.2	Very low	25.4	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	80%	0.804	S	S	*	*			trans	-112	168.8	-136.7	42.1	-35.4	0	0	0	116.1
255	G	23.4	Very low	25	Very low	70 Å²	70	154.8 Å²	154.8	72%	0.722	80%	0.804	S	S	*	*			trans	-163.9	160.7	162.6	0	0	0	0	0	108.3
256	E	25.3	Very low	24.9	Very low	179 Å²	179	153.5 Å²	153.5	84%	0.836	81%	0.805	S	S	*	*			cis	-158.5	-172.1	-3.2	-117	-175.3	153.9	0	0	109
257	N	25.9	Very low	24.8	Very low	166 Å²	166	149.6 Å²	149.6	89%	0.888	80%	0.803	S	S	*	*			trans	74.1	138.6	173.9	-53.7	-53	0	0	0	117.3
258	G	23.1	Very low	24.8	Very low	72 Å²	72	153.1 Å²	153.1	74%	0.742	81%	0.805	S	S	*	*			cis	170.9	127.5	-3.8	0	0	0	0	0	112.6
259	L	24.8	Very low	24.8	Very low	166 Å²	166	157.7 Å²	157.7	87%	0.869	81%	0.809	S	S	*	*			trans	-31.8	142.5	174.6	-64.3	158.2	0	0	0	116.8
260	K	24.7	Very low	24.7	Very low	205 Å²	205	155.9 Å²	155.9	89%	0.891	80%	0.8	S	S	*	*				-173.2	142.3	100.6	-97.7	168.1	-174	-179.9	0	113.3
261	S	25.5	Very low	24.7	Very low	106 Å²	106	155 Å²	155	74%	0.741	80%	0.801	S	S	*	*			trans	-100.2	161.4	163.7	47.6	0	0	0	0	109.8
262	N	22.6	Very low	24.8	Very low	164 Å²	164	147.6 Å²	147.6	88%	0.877	79%	0.789	S	S	*	*			trans	-158.3	165.3	150	-117.6	9.8	0	0	0	111.2
263	E	22.1	Very low	25	Very low	152 Å²	152	147.3 Å²	147.3	71%	0.71	79%	0.789	S	S	*	*			trans	-120	-171.8	-164.5	-58	175.6	114	0	0	112.5
264	Y	21.8	Very low	25.1	Very low	196 Å²	196	147.6 Å²	147.6	77%	0.769	79%	0.79	S	S	*	*			trans	71.1	149.7	169.6	-62.4	-77.1	0	0	0	116.8
265	R	21.6	Very low	24.4	Very low	225 Å²	225	147 Å²	147	85%	0.849	79%	0.786	S	S	*	*			cis	-146.2	170.2	-6.3	-152.6	161.3	-176.5	174.3	0.4	111.1
266	N	25.3	Very low	24.8	Very low	146 Å²	146	148.7 Å²	148.7	78%	0.781	78%	0.784	S	S	*	*			trans	-61.4	153.3	177.3	-59.4	-11.6	0	0	0	114.5
267	G	23.7	Very low	25.2	Very low	80 Å²	80	148.4 Å²	148.4	83%	0.825	78%	0.783	S	S	*	*			trans	-151.9	111.4	154.6	0	0	0	0	0	109.3
268	F	22.9	Very low	25.3	Very low	183 Å²	183	146.1 Å²	146.1	80%	0.803	78%	0.777	S	S	*	*			trans	-94.2	143.2	174	-90.5	-102.4	0	0	0	109.9
269	R	25.1	Very low	25.7	Very low	218 Å²	218	154.3 Å²	154.3	82%	0.823	79%	0.785	S	S	*	*				-179	126.8	129.3	-88.3	-149.2	130.8	135.9	0.9	107
270	D	24.5	Very low	25.7	Very low	105 Å²	105	152.7 Å²	152.7	56%	0.561	78%	0.782	S	S	*	*				65.7	122.6	88.5	-46	-7.5	0	0	0	109.7
271	D	23.7	Very low	26.1	Very low	158 Å²	158	148 Å²	148	85%	0.845	77%	0.772	S	S	*	*			cis	-159.5	-169.8	10.3	-139	-39.2	0	0	0	112.8
272	A	24.7	Very low	25.9	Very low	73 Å²	73	150.2 Å²	150.2	60%	0.603	78%	0.775	S	S	*	*			trans	83.2	115.5	162.3	0	0	0	0	0	120.9
273	D	27.3	Very low	25.9	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	77%	0.765	S	S	*	*				76.8	54.4	129.9	-53.1	-13.5	0	0	0	121.3
274	L	25.1	Very low	25.8	Very low	160 Å²	160	148.3 Å²	148.3	84%	0.838	76%	0.759	S	S	*	*				-8.5	161.9	105.9	-69.6	171.9	0	0	0	118.3
275	P	28.8	Very low	25.8	Very low	110 Å²	110	147 Å²	147	71%	0.714	76%	0.757	S	S	*	*			cis	-138.7	-134.9	-31.2	45	-24.7	0	0	0	111.3
276	P	31.5	Very low	25.8	Very low	106 Å²	106	143.4 Å²	143.4	69%	0.688	75%	0.754	S	S	*	*			trans	-134	-153	-139.7	38.1	-10.3	0	0	0	115
277	H	33.6	Very low	25.7	Very low	173 Å²	173	141.3 Å²	141.3	80%	0.801	75%	0.75	S	S	*	*			trans	-20.5	156.7	163.1	-56	-60.4	0	0	0	118.8
278	P	28.2	Very low	25.7	Very low	118 Å²	118	144 Å²	144	77%	0.766	74%	0.74	S	S	*	*				-122.5	146.8	119.7	32.9	-27	0	0	0	115.2
279	R	32.7	Very low	25.6	Very low	243 Å²	243	144 Å²	144	92%	0.917	74%	0.737	S	S	*	*			trans	-138.8	95.2	158.6	-97.6	-170.7	168	-160.3	0.2	107.4
280	V	24.7	Very low	25.5	Very low	132 Å²	132	140.2 Å²	140.2	80%	0.8	73%	0.732	S	S	*	*			trans	-151.5	166.8	173.6	-109.4	0	0	0	0	108.7
281	P	33.3	Very low	25.4	Very low	106 Å²	106	143.9 Å²	143.9	69%	0.688	75%	0.746	S	S	*	*				-129.2	-146.5	-124.7	44.2	-27.4	0	0	0	113.9
282	L	21.7	Very low	25.3	Very low	153 Å²	153	146.6 Å²	146.6	80%	0.801	75%	0.751	S	S	*	*			trans	78.5	165.2	179.8	-63.1	111.6	0	0	0	116.9
283	K	20.9	Very low	25.3	Very low	153 Å²	153	147.7 Å²	147.7	67%	0.665	75%	0.754	S	S	*	*			cis	175.8	122.8	-44.7	-169.7	173.9	-173.7	-91.9	0	107.2
284	E	21	Very low	25.3	Very low	124 Å²	124	149.9 Å²	149.9	58%	0.579	76%	0.759	S	S	*	*			trans	61.8	162.7	171.9	-69	168.1	-115.3	0	0	114.5
285	K	22.3	Very low	25.2	Very low	167 Å²	167	145.6 Å²	145.6	73%	0.726	75%	0.754	S	S	*	*			cis	-163.2	157.8	-16.2	-101.5	164.4	178.3	156.7	0	103.9
286	L	21.9	Very low	25	Very low	151 Å²	151	148.5 Å²	148.5	79%	0.791	76%	0.763	S	S	*	*			cis	-146.9	-165.2	-1.7	-149.1	72	0	0	0	104.1
287	C	22	Very low	24.7	Very low	102 Å²	102	154 Å²	154	69%	0.689	77%	0.77	S	S	*	*			cis	-157.1	-177.6	-10.6	-146.5	0	0	0	0	104.4
288	Q	22.9	Very low	24.3	Very low	135 Å²	135	155 Å²	155	63%	0.631	77%	0.774	S	S	*	*			cis	-123.3	-158.3	-1.8	-59.5	-173.9	-103.8	0	0	107.4
289	Y	21.3	Very low	24	Very low	185 Å²	185	154.7 Å²	154.7	73%	0.725	78%	0.775	S	S	*	*			cis	-140.8	153.7	3	-125	-68.1	0	0	0	109.9
290	D	23	Very low	23.6	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	77%	0.77	S	S	*	*			trans	-42.1	152.6	-161.8	-47.7	-35.3	0	0	0	121.2
291	E	23.1	Very low	23.6	Very low	182 Å²	182	149.6 Å²	149.6	85%	0.85	77%	0.769	S	S	*	*			trans	-88.7	163.8	162.6	-54.1	175.2	116.1	0	0	110.8
292	F	21	Very low	23.2	Very low	216 Å²	216	152.5 Å²	152.5	95%	0.947	78%	0.778	S	S	*	*			trans	-156.2	155.8	136.5	-123	-80.5	0	0	0	111.2
293	S	25	Very low	23.3	Very low	96 Å²	96	151.5 Å²	151.5	67%	0.671	77%	0.774	S	S	*	*			trans	-147	-179.7	179.5	66.7	0	0	0	0	111.7
294	E	27.3	Very low	23.4	Very low	198 Å²	198	153.4 Å²	153.4	93%	0.925	78%	0.777	S	S	*	*			trans	69.7	149.5	-168	-47.3	-165.4	137.5	0	0	114.6
295	G	22.6	Very low	23.6	Very low	70 Å²	70	154.9 Å²	154.9	72%	0.722	78%	0.783	S	S	*	*			cis	139.9	131.9	-11.4	0	0	0	0	0	113.3
296	L	25.5	Very low	23.8	Very low	171 Å²	171	154.6 Å²	154.6	90%	0.895	78%	0.784	S	S	*	*			trans	-165.9	162.5	158.4	-113.2	167.3	0	0	0	112.3
297	R	25.2	Very low	23.9	Very low	223 Å²	223	159.5 Å²	159.5	84%	0.842	79%	0.792	S	S	*	*			trans	-118.1	166.7	179	-55.9	178.8	-177.3	-173.2	1.8	110
298	H	24.3	Very low	24	Very low	194 Å²	194	161.1 Å²	161.1	90%	0.898	80%	0.799	S	S	*	*				-158.5	173.7	127.2	-94.1	121.7	0	0	0	110.9
299	S	23	Very low	25.1	Very low	110 Å²	110	160.3 Å²	160.3	77%	0.769	81%	0.805	S	S	*	*			trans	-149.5	141	-160.3	154.4	0	0	0	0	112
300	A	23.6	Very low	25.1	Very low	99 Å²	99	158.6 Å²	158.6	82%	0.818	81%	0.814	S	S	*	*			trans	-157.1	138.1	153.2	0	0	0	0	0	113.2
301	H	23.9	Very low	25.1	Very low	169 Å²	169	155.2 Å²	155.2	78%	0.782	81%	0.812	S	S	*	*			trans	-62.8	153.9	172.3	-71.7	-118.8	0	0	0	113.8
302	L	25.2	Very low	25.3	Very low	167 Å²	167	154.4 Å²	154.4	87%	0.874	81%	0.808	S	S	*	*				-170.2	-175.2	100.4	-107.8	171.1	0	0	0	114.4
303	N	24.6	Very low	25.5	Very low	133 Å²	133	152.1 Å²	152.1	71%	0.711	80%	0.798	S	S	*	*			trans	-100.6	146.5	-155.8	-102	-58.6	0	0	0	115.6
304	R	24	Very low	25.3	Very low	193 Å²	193	152.3 Å²	152.3	73%	0.728	80%	0.799	S	S	*	*				24.9	125	128.6	-175.6	-170.6	-171.9	174.5	2.7	117.8
305	H	25.2	Very low	25.2	Very low	155 Å²	155	149.1 Å²	149.1	72%	0.718	79%	0.793	S	S	*	*				-168.6	156	112.9	-110	-79.8	0	0	0	114.8
306	Q	24.9	Very low	25.3	Very low	160 Å²	160	154.5 Å²	154.5	75%	0.748	80%	0.796	S	S	*	*			trans	-88	154.9	170.9	-55.5	153.5	-62.5	0	0	110.5
307	R	24.2	Very low	25.2	Very low	254 Å²	254	151.4 Å²	151.4	96%	0.958	79%	0.789	S	S	*	*			trans	-162.7	165.3	131.6	-110.8	168.4	-163.1	-152.1	3.4	113.8
308	V	25.1	Very low	25	Very low	137 Å²	137	147.2 Å²	147.2	83%	0.83	78%	0.783	S	S	*	*			trans	-112.4	156.5	-174.1	160.9	0	0	0	0	108.1
309	P	44.4	Very low	25.1	Very low	117 Å²	117	144.1 Å²	144.1	76%	0.76	77%	0.769	S	S	*	*			trans	-101.3	156.5	-150.5	37.8	-35.3	0	0	0	116.5
310	T	22.5	Very low	25.2	Very low	149 Å²	149	148.5 Å²	148.5	91%	0.914	77%	0.769	S	S	*	*			trans	-150.7	152.1	159.2	48.1	0	0	0	0	107.3
311	G	23.1	Very low	25.2	Very low	67 Å²	67	146.9 Å²	146.9	69%	0.691	76%	0.762	S	S	*	*			cis	150.1	132.4	-5.2	0	0	0	0	0	110.4
312	E	26.3	Very low	25.4	Very low	165 Å²	165	149.9 Å²	149.9	77%	0.771	77%	0.766	S	S	*	*			trans	64.4	168.3	177.5	-53	-160.9	124.1	0	0	114.7
313	K	24.9	Very low	25.4	Very low	167 Å²	167	145.3 Å²	145.3	73%	0.726	76%	0.759	S	S	*	*			cis	-163.1	163.3	-10.5	-116.2	157.2	-169.7	154.2	0	105
314	S	22.3	Very low	25.4	Very low	101 Å²	101	145.1 Å²	145.1	71%	0.706	76%	0.762	S	S	*	*			cis	-175.3	176.1	-30.4	-173.9	0	0	0	0	107.5
315	V	23.9	Very low	25.5	Very low	131 Å²	131	147.8 Å²	147.8	79%	0.794	77%	0.772	S	S	*	*			trans	69.6	156.5	171.2	-173.1	0	0	0	0	115
316	K	24.3	Very low	25.7	Very low	182 Å²	182	148.1 Å²	148.1	79%	0.791	77%	0.774	S	S	*	*				178.3	146.9	-52.4	-118.6	-175.3	-178.7	-176.7	0	108
317	S	23.5	Very low	25.7	Very low	107 Å²	107	147 Å²	147	75%	0.748	77%	0.774	S	S	*	*			trans	69.3	161.3	161	-42.8	0	0	0	0	116.7
318	L	22.8	Very low	25.8	Very low	134 Å²	134	140.3 Å²	140.3	70%	0.702	76%	0.761	S	S	*	*			cis	-155.1	135	-1.8	-159.1	61.9	0	0	0	112.5
319	E	25.2	Very low	25.9	Very low	129 Å²	129	141.7 Å²	141.7	60%	0.603	76%	0.758	S	S	*	*			trans	49.4	169.7	150.3	-65.5	177.7	-136.1	0	0	120.6
320	R	25.7	Very low	25.3	Very low	203 Å²	203	142 Å²	142	77%	0.766	75%	0.752	S	S	*	*			cis	-154.6	157.3	5.5	-149.5	171.3	-124.3	-166.9	4.2	112.5
321	G	24	Very low	25.4	Very low	65 Å²	65	145.8 Å²	145.8	67%	0.67	75%	0.75	S	S	*	*			trans	141.1	94.4	164.3	0	0	0	0	0	113.2
322	R	27.8	Very low	25.6	Very low	231 Å²	231	148.5 Å²	148.5	87%	0.872	75%	0.749	S	S	*	*				52.9	117	83	-62.1	-170.3	-170.5	-114.7	7.6	114
323	G	25.3	Very low	25.5	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	75%	0.751	S	S	*	*			cis	161.6	170.9	-12.2	0	0	0	0	0	115.5
324	V	24.7	Very low	25.9	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	75%	0.752	S	S	*	*			trans	62	111.3	155	-172.4	0	0	0	0	119.8
325	R	25.6	Very low	26.6	Very low	249 Å²	249	154.1 Å²	154.1	94%	0.94	77%	0.765	S	S	*	*				-150.6	155.1	110.9	-104.8	177.7	-175.3	-163.7	0.3	110.1
326	Q	28.7	Very low	26.7	Very low	162 Å²	162	152.2 Å²	152.2	76%	0.757	76%	0.763	S	S	*	*			trans	-136.1	-179.8	-167.1	-63.7	180	-68.4	0	0	112.1
327	N	24.5	Very low	27.5	Very low	137 Å²	137	149.2 Å²	149.2	73%	0.733	76%	0.762	S	S	*	*			trans	77.7	138.8	162.9	-61.5	-6.3	0	0	0	114.8
328	T	27.4	Very low	28.6	Very low	114 Å²	114	150.5 Å²	150.5	70%	0.699	77%	0.765	S	S	*	*			cis	-173.7	169.1	-1.6	19.3	0	0	0	0	104.4
329	H	26.2	Very low	29.4	Very low	165 Å²	165	145.6 Å²	145.6	76%	0.764	75%	0.747	S	S	*	*			cis	-155.7	156.6	37.3	-141.8	-74.1	0	0	0	112.7
330	I	31.7	Very low	30.4	Very low	124 Å²	124	145.9 Å²	145.9	64%	0.636	75%	0.753	S	S	*	*			trans	-106.7	143.6	172.7	-63.2	166.4	0	0	0	109.5	N332	I330-N332 HydrophobicContact CG2-CB 4.38Å; I330-N332 WeakPolarHBondContact CG2-OD1 3.48Å
331	R	25.7	Very low	31.6	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	74%	0.736	S	S	*	*			trans	-148.7	111.1	142.1	-89	-179.9	179.8	177.8	-1.5	105.9
332	N	27	Very low	33.3	Very low	124 Å²	124	141.4 Å²	141.4	66%	0.663	73%	0.732	S	S	*	*				60.2	114.6	57.3	-70.4	-13.6	0	0	0	114.2	I330	I330-N332 HydrophobicContact CG2-CB 4.38Å; I330-N332 WeakPolarHBondContact CG2-OD1 3.48Å
333	H	25	Very low	34.8	Very low	180 Å²	180	134.7 Å²	134.7	83%	0.833	71%	0.707	S	S	*	*				177.7	159.2	114	-89.5	-70.6	0	0	0	109.5
334	P	31.9	Very low	36.7	Very low	115 Å²	115	139.4 Å²	139.4	75%	0.747	70%	0.703	S	S	*	*			cis	-125.2	160.1	-47.1	35.5	-22	0	0	0	112.2
335	R	37.3	Very low	38.6	Very low	255 Å²	255	133.3 Å²	133.3	96%	0.962	67%	0.666	S	S	*	*			trans	-122.5	103.1	171.6	-164.1	-169.9	-152.6	-166.1	10	109.4
336	A	26.1	Very low	40.2	Very low	92 Å²	92	128.2 Å²	128.2	76%	0.76	66%	0.657	S	S	*	*			trans	-155.5	159.2	177.9	0	0	0	0	0	111.9
337	P	41.7	Very low	41.6	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	65%	0.651	S	S	*	*			cis	-100.9	162.1	-18	23.5	-6.6	0	0	0	111.9	G339	P337-G339 PolarHBondContact O-N 2.87Å
338	V	45.2	Very low	43.5	Very low	133 Å²	133	121.2 Å²	121.2	81%	0.806	63%	0.632	S	S	*	*			trans	-71.1	104.2	152.5	174.3	0	0	0	0	105.6	D340	V338-D340 PolarHBondContact O-N 3.23Å
339	G	41	Very low	45.1	Very low	32 Å²	32	118.1 Å²	118.1	33%	0.33	62%	0.623	S	S	.	*			trans	-64	129.2	166.4	0	0	0	0	0	108.6	P337	P337-G339 PolarHBondContact O-N 2.87Å
340	D	46.7	Very low	46.8	Very low	135 Å²	135	116.2 Å²	116.2	72%	0.722	61%	0.612	S	S	*	*			trans	-54.3	142.8	-174.8	-89.8	-57.2	0	0	0	112.5	V338 P342	V338-D340 PolarHBondContact O-N 3.23Å; D340-P342 WeakPolarHBondContact O-CD 3.36Å
341	M	51	Low	48.1	Very low	85 Å²	85	111.7 Å²	111.7	42%	0.419	60%	0.597	S	S	.	*			trans	-117.2	61.6	178.2	-63.8	-77.2	172.8	0	0	108.6	Y343 F352 R353	M341-Y343 PolarHBondContact O-N 3.21Å; M341-F352 CarbonylContact C-O 3.6Å; M341-F352 WeakPolarHBondContact CA-O 3.32Å; M341-R353 HydrophobicContact CE-CB 4.42Å; M341-R353 HydrophobicContact SD-CB 4.04Å; M341-R353 PolarHBondContact SD-N 2.9Å
342	P	57.8	Low	50.3	Low	88 Å²	88	102.5 Å²	102.5	57%	0.571	56%	0.563	S	S	*	*			trans	-67.6	-22.7	-169.8	29.6	-35.3	0	0	0	111.8	D340 R344	D340-P342 WeakPolarHBondContact O-CD 3.36Å; P342-R344 PolarHBondContact O-N 3.4Å
343	Y	60.2	Low	51.5	Low	90 Å²	90	103.8 Å²	103.8	35%	0.353	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	89	179.2	-54.9	-67	0	0	0	110.1	M341 F352 Y354 K355	M341-Y343 PolarHBondContact O-N 3.21Å; Y343-F352 PolarHBondContact N-O 2.8Å; Y343-F352 PolarHBondContact O-N 3.44Å; Y343-Y354 VanDerWaalsContact CD2-C 3.42Å; Y343-K355 HydrophobicContact CD1-CB 3.74Å; Y343-K355 HydrophobicContact CD1-CD 4.28Å; Y343-K355 HydrophobicContact CD1-CG 3.8Å; Y343-K355 HydrophobicContact CD2-CB 4.2Å; Y343-K355 HydrophobicContact CE1-CB 3.65Å; Y343-K355 HydrophobicContact CE1-CD 3.89Å; Y343-K355 HydrophobicContact CE1-CG 3.84Å; Y343-K355 HydrophobicContact CE2-CB 4.11Å; Y343-K355 HydrophobicContact CG-CB 4.01Å; Y343-K355 HydrophobicContact CG-CG 4.44Å
344	R	64.7	Low	53.3	Low	170 Å²	170	101.2 Å²	101.2	64%	0.642	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	151.6	173.9	-67.3	-177.9	179.4	-121.4	5.6	111.8	P342 K350 L358	P342-R344 PolarHBondContact O-N 3.4Å; R344-K350 CarbonylContact C-O 3.46Å; R344-K350 WeakPolarHBondContact CA-O 3.17Å; R344-L358 WeakPolarHBondContact O-CD1 3.35Å; R344-L358 VanDerWaalsContact O-CD2 3.28Å; R344-L358 WeakPolarHBondContact O-CD2 3.29Å
345	C	64.4	Low	54.1	Low	1 Å²	1	101.9 Å²	101.9	1%	0.007	53%	0.534	C	S	.	.			trans	-98.7	117.2	173.6	-176.1	0	0	0	0	111	V347 C348 G349 K350 F352 L358 H365	C345-V347 PolarHBondContact O-N 2.98Å; C345-C348 PolarHBondContact O-N 2.91Å; C345-C348 VanDerWaalsContact O-N 3.14Å; C345-G349 WeakPolarHBondContact O-CA 3.45Å; C345-G349 PolarHBondContact O-N 2.77Å; C345-K350 PolarHBondContact N-O 2.82Å; C345-F352 HydrophobicContact CB-CE2 4.07Å; C345-L358 HydrophobicContact CB-CD1 3.49Å; C345-L358 VanDerWaalsContact CB-CD1 3.49Å; C345-H365 VanDerWaalsContact SG-CD2 3.52Å; C345-H365 PolarHBondContact SG-NE2 2.86Å
346	D	60	Low	54.8	Low	142 Å²	142	93.2 Å²	93.2	76%	0.759	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-27	-170.9	-37.9	-79.6	0	0	0	112.5
347	V	58.2	Low	56.2	Low	104 Å²	104	91 Å²	91	63%	0.63	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-20.9	-179.9	-172.9	0	0	0	0	112.9	C345 H365	C345-V347 PolarHBondContact O-N 2.98Å; V347-H365 HydrophobicContact CB-CB 4.39Å; V347-H365 HydrophobicContact CG1-CB 4.07Å; V347-H365 HydrophobicContact CG2-CB 4.38Å
348	C	65.3	Low	57.1	Low	48 Å²	48	86 Å²	86	32%	0.324	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145	4.5	-171.5	76.9	0	0	0	0	116.2	C345 K350 H361	C345-C348 PolarHBondContact O-N 2.91Å; C345-C348 VanDerWaalsContact O-N 3.14Å; C348-K350 PolarHBondContact O-N 3.25Å; C348-K350 VanDerWaalsContact O-N 3.07Å; C348-H361 PolarHBondContact SG-NE2 2.89Å
349	G	59	Low	57.7	Low	50 Å²	50	84.5 Å²	84.5	52%	0.515	44%	0.442	S	S	.	.			trans	69.5	-4.8	178.6	0	0	0	0	0	116.5	C345 G351	C345-G349 WeakPolarHBondContact O-CA 3.45Å; C345-G349 PolarHBondContact O-N 2.77Å; G349-G351 PolarHBondContact O-N 3.16Å
350	K	63.6	Low	58.5	Low	124 Å²	124	86.2 Å²	86.2	54%	0.539	44%	0.443	S	S	.	.			trans	-70.6	128	-175.1	-67.5	179.7	-177.2	178.1	0	111.4	R344 C345 C348 F352	R344-K350 CarbonylContact C-O 3.46Å; R344-K350 WeakPolarHBondContact CA-O 3.17Å; C345-K350 PolarHBondContact N-O 2.82Å; C348-K350 PolarHBondContact O-N 3.25Å; C348-K350 VanDerWaalsContact O-N 3.07Å; K350-F352 HydrophobicContact CB-CE2 3.78Å; K350-F352 HydrophobicContact CB-CZ 3.87Å; K350-F352 WeakPolarHBondContact O-CD2 3.32Å; K350-F352 VanDerWaalsContact O-CE2 3.26Å; K350-F352 WeakPolarHBondContact O-CE2 3.39Å
351	G	57.9	Low	59.1	Low	30 Å²	30	81.3 Å²	81.3	31%	0.309	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146	173.1	0	0	0	0	0	112.7	G349	G349-G351 PolarHBondContact O-N 3.16Å
352	F	72.7	Confident	59.4	Low	35 Å²	35	79.8 Å²	79.8	15%	0.154	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144	178.5	-60.1	-84.4	0	0	0	110.6	M341 Y343 C345 K350 Y354 V357 L358 H361	M341-F352 CarbonylContact C-O 3.6Å; M341-F352 WeakPolarHBondContact CA-O 3.32Å; Y343-F352 PolarHBondContact N-O 2.8Å; Y343-F352 PolarHBondContact O-N 3.44Å; C345-F352 HydrophobicContact CB-CE2 4.07Å; K350-F352 HydrophobicContact CB-CE2 3.78Å; K350-F352 HydrophobicContact CB-CZ 3.87Å; K350-F352 WeakPolarHBondContact O-CD2 3.32Å; K350-F352 VanDerWaalsContact O-CE2 3.26Å; K350-F352 WeakPolarHBondContact O-CE2 3.39Å; F352-Y354 VanDerWaalsContact C-N 3.3Å; F352-Y354 PolarHBondContact O-N 2.76Å; F352-V357 HydrophobicContact CB-CB 4.48Å; F352-V357 HydrophobicContact CD1-CB 4.37Å; F352-V357 HydrophobicContact CD1-CG1 3.65Å; F352-V357 HydrophobicContact CE1-CG1 4.26Å; F352-V357 HydrophobicContact CG-CG1 4.41Å; F352-L358 HydrophobicContact CB-CB 4.3Å; F352-L358 HydrophobicContact CD2-CB 4.07Å; F352-L358 HydrophobicContact CD2-CD1 3.87Å; F352-L358 HydrophobicContact CE2-CD1 4.13Å; F352-L358 HydrophobicContact CG-CB 4.38Å; F352-H361 HydrophobicContact CE1-CB 4.12Å; F352-H361 HydrophobicContact CE2-CB 3.94Å; F352-H361 AromaticContact CE2-CD2 3.47Å; F352-H361 VanDerWaalsContact CE2-CD2 3.47Å; F352-H361 WeakPolarHBondContact CE2-CD2 3.48Å; F352-H361 AromaticContact CE2-CG 3.79Å; F352-H361 HydrophobicContact CZ-CB 3.61Å; F352-H361 AromaticContact CZ-CD2 3.35Å; F352-H361 WeakPolarHBondContact CZ-CD2 3.43Å; F352-H361 AromaticContact CZ-CG 3.32Å; F352-H361 AromaticContact CZ-ND1 3.99Å
353	R	52.6	Low	59.4	Low	151 Å²	151	76.3 Å²	76.3	57%	0.57	39%	0.388	S	S	*	.	S	Bend	trans	-71.6	-23.7	-178.2	-165.8	176.4	-177.2	-170.5	-1.1	113.1	M341	M341-R353 HydrophobicContact CE-CB 4.42Å; M341-R353 HydrophobicContact SD-CB 4.04Å; M341-R353 PolarHBondContact SD-N 2.9Å
354	Y	60.9	Low	59.2	Low	127 Å²	127	77 Å²	77	50%	0.498	40%	0.401	S	S	.	.	S	Bend	trans	-137.9	139.8	-176.4	-51.3	-71.9	0	0	0	111.7	Y343 F352 S356 V357 L358	Y343-Y354 VanDerWaalsContact CD2-C 3.42Å; F352-Y354 VanDerWaalsContact C-N 3.3Å; F352-Y354 PolarHBondContact O-N 2.76Å; Y354-S356 VanDerWaalsContact C-N 3.27Å; Y354-S356 PolarHBondContact O-N 3.24Å; Y354-V357 HydrophobicContact CD2-CG2 4.43Å; Y354-V357 PolarHBondContact O-N 3.49Å; Y354-L358 PolarHBondContact O-N 2.87Å
355	K	50.3	Low	58.6	Low	129 Å²	129	72.6 Å²	72.6	56%	0.561	39%	0.388	S	S	*	.	H	α-helix	trans	-59.6	-35.2	-178.6	-160.8	174.3	-177.3	178.2	0	112.6	Y343 V357 L358 L359	Y343-K355 HydrophobicContact CD1-CB 3.74Å; Y343-K355 HydrophobicContact CD1-CD 4.28Å; Y343-K355 HydrophobicContact CD1-CG 3.8Å; Y343-K355 HydrophobicContact CD2-CB 4.2Å; Y343-K355 HydrophobicContact CE1-CB 3.65Å; Y343-K355 HydrophobicContact CE1-CD 3.89Å; Y343-K355 HydrophobicContact CE1-CG 3.84Å; Y343-K355 HydrophobicContact CE2-CB 4.11Å; Y343-K355 HydrophobicContact CG-CB 4.01Å; Y343-K355 HydrophobicContact CG-CG 4.44Å; K355-V357 VanDerWaalsContact C-N 3.32Å; K355-V357 PolarHBondContact O-N 3.31Å; K355-L358 WeakPolarHBondContact O-CB 3.08Å; K355-L358 PolarHBondContact O-N 3.12Å; K355-L359 HydrophobicContact CG-CD1 4.45Å; K355-L359 WeakPolarHBondContact O-CG 3.31Å; K355-L359 PolarHBondContact O-N 3.47Å
356	S	51.7	Low	58.1	Low	72 Å²	72	76.9 Å²	76.9	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-39.8	173.4	52.7	0	0	0	0	112.9	Y354 L359 I360	Y354-S356 VanDerWaalsContact C-N 3.27Å; Y354-S356 PolarHBondContact O-N 3.24Å; S356-L359 PolarHBondContact O-N 3.35Å; S356-I360 WeakPolarHBondContact O-CD1 3.17Å; S356-I360 VanDerWaalsContact O-CG1 3.28Å; S356-I360 WeakPolarHBondContact O-CG1 3.3Å; S356-I360 PolarHBondContact O-N 3.38Å; S356-I360 VanDerWaalsContact O-N 3.08Å
357	V	55.3	Low	57.8	Low	46 Å²	46	72.8 Å²	72.8	28%	0.279	41%	0.405	S	S	.	.	H	α-helix	trans	-74.6	-35	178.1	-173.4	0	0	0	0	111.2	F352 Y354 K355 H361	F352-V357 HydrophobicContact CB-CB 4.48Å; F352-V357 HydrophobicContact CD1-CB 4.37Å; F352-V357 HydrophobicContact CD1-CG1 3.65Å; F352-V357 HydrophobicContact CE1-CG1 4.26Å; F352-V357 HydrophobicContact CG-CG1 4.41Å; Y354-V357 HydrophobicContact CD2-CG2 4.43Å; Y354-V357 PolarHBondContact O-N 3.49Å; K355-V357 VanDerWaalsContact C-N 3.32Å; K355-V357 PolarHBondContact O-N 3.31Å; V357-H361 WeakPolarHBondContact O-CB 3.34Å; V357-H361 PolarHBondContact O-N 3.13Å
358	L	60	Low	57.6	Low	13 Å²	13	77.6 Å²	77.6	7%	0.068	41%	0.412	C	S	.	.	H	α-helix	trans	-61.5	-46.8	170	171	61.8	0	0	0	111.5	R344 C345 F352 Y354 K355 I360 H361 Q362	R344-L358 WeakPolarHBondContact O-CD1 3.35Å; R344-L358 VanDerWaalsContact O-CD2 3.28Å; R344-L358 WeakPolarHBondContact O-CD2 3.29Å; C345-L358 HydrophobicContact CB-CD1 3.49Å; C345-L358 VanDerWaalsContact CB-CD1 3.49Å; F352-L358 HydrophobicContact CB-CB 4.3Å; F352-L358 HydrophobicContact CD2-CB 4.07Å; F352-L358 HydrophobicContact CD2-CD1 3.87Å; F352-L358 HydrophobicContact CE2-CD1 4.13Å; F352-L358 HydrophobicContact CG-CB 4.38Å; Y354-L358 PolarHBondContact O-N 2.87Å; K355-L358 WeakPolarHBondContact O-CB 3.08Å; K355-L358 PolarHBondContact O-N 3.12Å; L358-I360 PolarHBondContact O-N 2.86Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.48Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 2.92Å; L358-Q362 HydrophobicContact CD1-CG 3.96Å; L358-Q362 HydrophobicContact CG-CG 4.36Å; L358-Q362 PolarHBondContact O-N 2.32Å
359	L	59.3	Low	57.2	Low	102 Å²	102	82 Å²	82	53%	0.534	42%	0.422	S	S	.	.	H	α-helix	trans	-60.6	-44.3	178.7	-72.6	163.3	0	0	0	111.7	K355 S356 H361 Q362 G363	K355-L359 HydrophobicContact CG-CD1 4.45Å; K355-L359 WeakPolarHBondContact O-CG 3.31Å; K355-L359 PolarHBondContact O-N 3.47Å; S356-L359 PolarHBondContact O-N 3.35Å; L359-H361 PolarHBondContact O-N 3.13Å; L359-Q362 PolarHBondContact O-N 3.34Å; L359-G363 PolarHBondContact O-N 3.21Å; L359-G363 VanDerWaalsContact O-N 3.14Å
360	I	57.7	Low	57.2	Low	68 Å²	68	84.1 Å²	84.1	35%	0.349	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-34.1	172.6	-67.6	163.9	0	0	0	111.2	S356 L358 R382	S356-I360 WeakPolarHBondContact O-CD1 3.17Å; S356-I360 VanDerWaalsContact O-CG1 3.28Å; S356-I360 WeakPolarHBondContact O-CG1 3.3Å; S356-I360 PolarHBondContact O-N 3.38Å; S356-I360 VanDerWaalsContact O-N 3.08Å; L358-I360 PolarHBondContact O-N 2.86Å; I360-R382 HydrophobicContact CD1-CG 4.29Å
361	H	57.7	Low	57	Low	32 Å²	32	83 Å²	83	15%	0.148	42%	0.42	C	S	.	.	H	α-helix	trans	-75	-37.4	175.8	-173.5	57.1	0	0	0	113.5	C348 F352 V357 L358 L359 G363 V364 H365	C348-H361 PolarHBondContact SG-NE2 2.89Å; F352-H361 HydrophobicContact CE1-CB 4.12Å; F352-H361 HydrophobicContact CE2-CB 3.94Å; F352-H361 AromaticContact CE2-CD2 3.47Å; F352-H361 VanDerWaalsContact CE2-CD2 3.47Å; F352-H361 WeakPolarHBondContact CE2-CD2 3.48Å; F352-H361 AromaticContact CE2-CG 3.79Å; F352-H361 HydrophobicContact CZ-CB 3.61Å; F352-H361 AromaticContact CZ-CD2 3.35Å; F352-H361 WeakPolarHBondContact CZ-CD2 3.43Å; F352-H361 AromaticContact CZ-CG 3.32Å; F352-H361 AromaticContact CZ-ND1 3.99Å; V357-H361 WeakPolarHBondContact O-CB 3.34Å; V357-H361 PolarHBondContact O-N 3.13Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.48Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 2.92Å; L359-H361 PolarHBondContact O-N 3.13Å; H361-G363 PolarHBondContact O-N 3.16Å; H361-V364 WeakPolarHBondContact O-CB 3.44Å; H361-V364 WeakPolarHBondContact O-CG2 3.37Å; H361-V364 PolarHBondContact O-N 2.95Å; H361-H365 AromaticContact CD2-NE2 3.67Å; H361-H365 AromaticContact CE1-NE2 3.74Å; H361-H365 AromaticContact NE2-CE1 3.84Å; H361-H365 AromaticContact NE2-NE2 3.1Å; H361-H365 PolarHBondContact NE2-NE2 3.33Å; H361-H365 VanDerWaalsContact NE2-NE2 3.1Å
362	Q	59.1	Low	56.7	Low	54 Å²	54	88 Å²	88	25%	0.252	43%	0.433	S	S	.	.	H	α-helix	trans	-63	-27.5	173.7	-74.2	166.1	-34	0	0	111.6	L358 L359 V364 H365 T366	L358-Q362 HydrophobicContact CD1-CG 3.96Å; L358-Q362 HydrophobicContact CG-CG 4.36Å; L358-Q362 PolarHBondContact O-N 2.32Å; L359-Q362 PolarHBondContact O-N 3.34Å; Q362-V364 PolarHBondContact O-N 2.62Å; Q362-H365 PolarHBondContact O-N 2.82Å; Q362-T366 WeakPolarHBondContact O-CG2 3.5Å; Q362-T366 PolarHBondContact O-N 2.79Å; Q362-T366 PolarHBondContact O-OG1 3.13Å
363	G	57.4	Low	56.1	Low	14 Å²	14	86.4 Å²	86.4	14%	0.144	43%	0.426	C	S	.	.	H	α-helix	trans	-60.3	-20.2	167.1	0	0	0	0	0	115.2	L359 H361 T366 G367 R368	L359-G363 PolarHBondContact O-N 3.21Å; L359-G363 VanDerWaalsContact O-N 3.14Å; H361-G363 PolarHBondContact O-N 3.16Å; G363-T366 WeakPolarHBondContact CA-OG1 3.36Å; G363-G367 CarbonylContact O-C 3.47Å; G363-G367 PolarHBondContact O-N 2.93Å; G363-R368 VanDerWaalsContact CA-O 3.3Å; G363-R368 WeakPolarHBondContact CA-O 3.43Å; G363-R368 PolarHBondContact O-N 2.94Å
364	V	55.5	Low	56.4	Low	105 Å²	105	87 Å²	87	64%	0.636	44%	0.436	S	S	*	.	H	α-helix	trans	-76.4	-35.6	174.6	-175	0	0	0	0	111.4	H361 Q362	H361-V364 WeakPolarHBondContact O-CB 3.44Å; H361-V364 WeakPolarHBondContact O-CG2 3.37Å; H361-V364 PolarHBondContact O-N 2.95Å; Q362-V364 PolarHBondContact O-N 2.62Å
365	H	52	Low	56.1	Low	77 Å²	77	87 Å²	87	36%	0.356	44%	0.44	S	S	.	.	H	α-helix	trans	-85.1	-36.3	179.6	-55.5	-61.2	0	0	0	112.6	C345 V347 H361 Q362 G367	C345-H365 VanDerWaalsContact SG-CD2 3.52Å; C345-H365 PolarHBondContact SG-NE2 2.86Å; V347-H365 HydrophobicContact CB-CB 4.39Å; V347-H365 HydrophobicContact CG1-CB 4.07Å; V347-H365 HydrophobicContact CG2-CB 4.38Å; H361-H365 AromaticContact CD2-NE2 3.67Å; H361-H365 AromaticContact CE1-NE2 3.74Å; H361-H365 AromaticContact NE2-CE1 3.84Å; H361-H365 AromaticContact NE2-NE2 3.1Å; H361-H365 PolarHBondContact NE2-NE2 3.33Å; H361-H365 VanDerWaalsContact NE2-NE2 3.1Å; Q362-H365 PolarHBondContact O-N 2.82Å; H365-G367 VanDerWaalsContact C-N 3.35Å
366	T	54.3	Low	56.3	Low	92 Å²	92	82.9 Å²	82.9	56%	0.564	43%	0.427	S	S	*	.	S	Bend	trans	-86.9	-2.2	-178.8	58	0	0	0	0	113.9	Q362 G363 R368	Q362-T366 WeakPolarHBondContact O-CG2 3.5Å; Q362-T366 PolarHBondContact O-N 2.79Å; Q362-T366 PolarHBondContact O-OG1 3.13Å; G363-T366 WeakPolarHBondContact CA-OG1 3.36Å; T366-R368 PolarHBondContact O-N 3.14Å
367	G	53.6	Low	56.3	Low	56 Å²	56	82.4 Å²	82.4	58%	0.577	43%	0.433	S	S	*	.			trans	67.2	-7.9	-174.2	0	0	0	0	0	115.3	G363 H365 R369	G363-G367 CarbonylContact O-C 3.47Å; G363-G367 PolarHBondContact O-N 2.93Å; H365-G367 VanDerWaalsContact C-N 3.35Å; G367-R369 PolarHBondContact O-N 3.44Å
368	R	53.8	Low	56.4	Low	204 Å²	204	84.9 Å²	84.9	77%	0.77	44%	0.44	S	S	*	.			trans	-69.4	101.9	179.9	-73.6	-170.5	175.4	-119.2	1.7	110.6	G363 T366	G363-R368 VanDerWaalsContact CA-O 3.3Å; G363-R368 WeakPolarHBondContact CA-O 3.43Å; G363-R368 PolarHBondContact O-N 2.94Å; T366-R368 PolarHBondContact O-N 3.14Å
369	R	57	Low	56.2	Low	140 Å²	140	85 Å²	85	53%	0.528	44%	0.444	S	S	.	.			trans	-104.9	100.3	171.1	-68.1	169.9	118.7	-158.6	-4.6	107.2	G367 Y371 A379 F380	G367-R369 PolarHBondContact O-N 3.44Å; R369-Y371 PolarHBondContact O-N 2.84Å; R369-A379 HydrophobicContact CB-CB 3.45Å; R369-A379 VanDerWaalsContact CB-CB 3.45Å; R369-A379 WeakPolarHBondContact CD-O 3.47Å; R369-A379 HydrophobicContact CG-CB 4.47Å; R369-A379 PolarHBondContact NE-O 3.28Å; R369-A379 PolarHBondContact NH1-O 3.2Å; R369-F380 CarbonylContact C-O 3.53Å
370	P	57.7	Low	56.5	Low	95 Å²	95	82 Å²	82	62%	0.617	43%	0.426	S	S	*	.			trans	-66.6	-33.9	-165.2	-23.9	35	0	0	0	114.5	K372 F380	P370-K372 PolarHBondContact O-N 3.35Å; P370-F380 WeakPolarHBondContact CD-O 3.42Å
371	Y	60.8	Low	56.3	Low	102 Å²	102	80 Å²	80	40%	0.4	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	95.9	-169.4	-57.5	-81.4	0	0	0	110.1	R369 A379 F380	R369-Y371 PolarHBondContact O-N 2.84Å; Y371-A379 CarbonylContact O-C 3.55Å; Y371-A379 WeakPolarHBondContact O-CA 3.27Å; Y371-F380 PolarHBondContact N-O 2.88Å; Y371-F380 VanDerWaalsContact N-O 3.12Å; Y371-F380 PolarHBondContact O-N 3.08Å
372	K	50.7	Low	56.5	Low	134 Å²	134	84 Å²	84	58%	0.583	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	145.5	178.7	-68.5	-178.5	-178.5	177.2	0	111.8	P370 E374 A379 L386	P370-K372 PolarHBondContact O-N 3.35Å; K372-E374 WeakPolarHBondContact CB-OE1 3.41Å; K372-A379 HydrophobicContact CG-CB 3.98Å; K372-L386 WeakPolarHBondContact O-CD2 3.38Å
373	C	60.6	Low	56.2	Low	1 Å²	1	84.7 Å²	84.7	1%	0.007	45%	0.447	C	S	.	.			trans	-96.5	107.2	167.7	178.9	0	0	0	0	108.4	E375 C376 G377 K378 F380 L386	C373-E375 VanDerWaalsContact C-N 3.28Å; C373-E375 PolarHBondContact O-N 2.91Å; C373-C376 PolarHBondContact O-N 3.29Å; C373-C376 VanDerWaalsContact SG-SG 3.66Å; C373-G377 WeakPolarHBondContact O-CA 3.4Å; C373-G377 PolarHBondContact O-N 3Å; C373-K378 WeakPolarHBondContact CB-O 3.38Å; C373-K378 PolarHBondContact N-O 3.04Å; C373-F380 HydrophobicContact CB-CE2 4.42Å; C373-L386 HydrophobicContact CB-CD1 3.46Å; C373-L386 VanDerWaalsContact CB-CD1 3.46Å
374	E	59.5	Low	56.3	Low	165 Å²	165	87.1 Å²	87.1	77%	0.771	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-33.2	-175.1	-56.6	-47.8	119.3	0	0	112.5	K372 C376	K372-E374 WeakPolarHBondContact CB-OE1 3.41Å; E374-C376 VanDerWaalsContact C-N 3.26Å; E374-C376 PolarHBondContact O-N 3.28Å
375	E	53.2	Low	56.5	Low	127 Å²	127	85.3 Å²	85.3	59%	0.593	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.6	176.9	-64.4	-177.9	101.9	0	0	114.8	C373 H393	C373-E375 VanDerWaalsContact C-N 3.28Å; C373-E375 PolarHBondContact O-N 2.91Å; E375-H393 WeakPolarHBondContact OE2-CB 3.29Å; E375-H393 IonicContact OE2-CD2 3.86Å; E375-H393 PolarHBondContact OE2-CD2 2.88Å; E375-H393 VanDerWaalsContact OE2-CD2 3.25Å; E375-H393 IonicContact OE2-CG 3.41Å; E375-H393 VanDerWaalsContact OE2-CG 3.28Å
376	C	55.6	Low	57.2	Low	41 Å²	41	82.7 Å²	82.7	28%	0.277	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	12	-177.1	76.4	0	0	0	0	116.7	C373 E374 K378 H389 H393	C373-C376 PolarHBondContact O-N 3.29Å; C373-C376 VanDerWaalsContact SG-SG 3.66Å; E374-C376 VanDerWaalsContact C-N 3.26Å; E374-C376 PolarHBondContact O-N 3.28Å; C376-K378 PolarHBondContact O-N 3.41Å; C376-K378 PolarHBondContact SG-NZ 3.18Å; C376-H389 PolarHBondContact SG-NE2 3.42Å; C376-H389 VanDerWaalsContact SG-NE2 3.36Å; C376-H393 WeakPolarHBondContact CB-NE2 3.32Å; C376-H393 PolarHBondContact SG-NE2 3.26Å; C376-H393 VanDerWaalsContact SG-NE2 3.42Å
377	G	52.2	Low	57.6	Low	62 Å²	62	82.5 Å²	82.5	64%	0.639	43%	0.432	S	S	*	.			trans	65	1.5	178.7	0	0	0	0	0	115.8	C373 A379	C373-G377 WeakPolarHBondContact O-CA 3.4Å; C373-G377 PolarHBondContact O-N 3Å; G377-A379 PolarHBondContact O-N 3.27Å
378	K	56.8	Low	57.9	Low	98 Å²	98	80.8 Å²	80.8	43%	0.426	41%	0.41	S	S	.	.			trans	-76	122	-177.2	-68.9	-174.2	-150	106	0	110.6	C373 C376 F380 H389	C373-K378 WeakPolarHBondContact CB-O 3.38Å; C373-K378 PolarHBondContact N-O 3.04Å; C376-K378 PolarHBondContact O-N 3.41Å; C376-K378 PolarHBondContact SG-NZ 3.18Å; K378-F380 HydrophobicContact CB-CE2 3.78Å; K378-F380 HydrophobicContact CB-CZ 4.02Å; K378-F380 WeakPolarHBondContact O-CD2 3.22Å; K378-F380 WeakPolarHBondContact O-CE2 3.48Å; K378-H389 PolarHBondContact NZ-NE2 3.3Å
379	A	54.8	Low	58.3	Low	17 Å²	17	72.2 Å²	72.2	14%	0.14	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.4	-179.4	0	0	0	0	0	112.5	R369 Y371 K372 G377	R369-A379 HydrophobicContact CB-CB 3.45Å; R369-A379 VanDerWaalsContact CB-CB 3.45Å; R369-A379 WeakPolarHBondContact CD-O 3.47Å; R369-A379 HydrophobicContact CG-CB 4.47Å; R369-A379 PolarHBondContact NE-O 3.28Å; R369-A379 PolarHBondContact NH1-O 3.2Å; Y371-A379 CarbonylContact O-C 3.55Å; Y371-A379 WeakPolarHBondContact O-CA 3.27Å; K372-A379 HydrophobicContact CG-CB 3.98Å; G377-A379 PolarHBondContact O-N 3.27Å
380	F	65.8	Low	58.5	Low	38 Å²	38	69.1 Å²	69.1	17%	0.167	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.7	-174.9	-62.5	-89.9	0	0	0	111.6	R369 P370 Y371 C373 K378 R382 N385 L386 H389	R369-F380 CarbonylContact C-O 3.53Å; P370-F380 WeakPolarHBondContact CD-O 3.42Å; Y371-F380 PolarHBondContact N-O 2.88Å; Y371-F380 VanDerWaalsContact N-O 3.12Å; Y371-F380 PolarHBondContact O-N 3.08Å; C373-F380 HydrophobicContact CB-CE2 4.42Å; K378-F380 HydrophobicContact CB-CE2 3.78Å; K378-F380 HydrophobicContact CB-CZ 4.02Å; K378-F380 WeakPolarHBondContact O-CD2 3.22Å; K378-F380 WeakPolarHBondContact O-CE2 3.48Å; F380-R382 VanDerWaalsContact C-N 3.34Å; F380-N385 HydrophobicContact CB-CB 4.23Å; F380-N385 HydrophobicContact CD1-CB 4.02Å; F380-N385 HydrophobicContact CG-CB 4.4Å; F380-L386 HydrophobicContact CB-CB 4.38Å; F380-L386 HydrophobicContact CD2-CB 4.08Å; F380-L386 HydrophobicContact CD2-CD1 4.05Å; F380-L386 HydrophobicContact CE2-CD1 4.31Å; F380-L386 HydrophobicContact CG-CB 4.41Å; F380-H389 HydrophobicContact CE1-CB 4.16Å; F380-H389 HydrophobicContact CE2-CB 3.83Å; F380-H389 AromaticContact CE2-CD2 3.39Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.44Å; F380-H389 AromaticContact CE2-CG 3.75Å; F380-H389 HydrophobicContact CZ-CB 3.56Å; F380-H389 AromaticContact CZ-CD2 3.32Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.45Å; F380-H389 AromaticContact CZ-CG 3.35Å
381	G	53.2	Low	59.1	Low	26 Å²	26	67 Å²	67	27%	0.268	35%	0.35	S	S	.	.	S	Bend	trans	-86	1.5	178.5	0	0	0	0	0	115
382	R	61.8	Low	58.9	Low	116 Å²	116	66.7 Å²	66.7	44%	0.438	36%	0.358	S	S	.	.	S	Bend	trans	-151.5	143.6	176.8	-62.9	-174.6	180	179.4	-3.4	109.7	I360 F380 S384 N385 L386	I360-R382 HydrophobicContact CD1-CG 4.29Å; F380-R382 VanDerWaalsContact C-N 3.34Å; R382-S384 PolarHBondContact O-N 3.44Å; R382-N385 HydrophobicContact CB-CB 4.43Å; R382-N385 PolarHBondContact O-N 3.4Å; R382-L386 PolarHBondContact O-N 2.97Å
383	S	54.6	Low	59.1	Low	68 Å²	68	64.3 Å²	64.3	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-55.9	-47.2	173.6	47.2	0	0	0	0	112.3	N385 L386 L387	S383-N385 PolarHBondContact O-N 3.23Å; S383-N385 VanDerWaalsContact O-N 3.17Å; S383-L386 CarbonylContact O-C 3.54Å; S383-L386 WeakPolarHBondContact O-CA 3.41Å; S383-L386 WeakPolarHBondContact O-CB 3.38Å; S383-L386 PolarHBondContact O-N 3.15Å; S383-L387 PolarHBondContact O-N 3.22Å
384	S	58.6	Low	59	Low	66 Å²	66	68.3 Å²	68.3	46%	0.462	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-28	178.4	50.5	0	0	0	0	114.3	R382 V388	R382-S384 PolarHBondContact O-N 3.44Å; S384-V388 WeakPolarHBondContact O-CG2 3.43Å; S384-V388 PolarHBondContact O-N 2.81Å
385	N	60.5	Low	58.8	Low	66 Å²	66	62.6 Å²	62.6	35%	0.353	36%	0.359	S	S	.	.	H	α-helix	trans	-78.6	-27.6	173.2	-72.2	-32.6	0	0	0	112.8	F380 R382 S383 H389	F380-N385 HydrophobicContact CB-CB 4.23Å; F380-N385 HydrophobicContact CD1-CB 4.02Å; F380-N385 HydrophobicContact CG-CB 4.4Å; R382-N385 HydrophobicContact CB-CB 4.43Å; R382-N385 PolarHBondContact O-N 3.4Å; S383-N385 PolarHBondContact O-N 3.23Å; S383-N385 VanDerWaalsContact O-N 3.17Å; N385-H389 WeakPolarHBondContact O-CB 3.44Å; N385-H389 PolarHBondContact O-N 3.1Å
386	L	66	Low	59	Low	22 Å²	22	60.9 Å²	60.9	12%	0.115	35%	0.351	C	S	.	.	H	α-helix	trans	-71.8	-45.6	170.3	169.1	62.4	0	0	0	110.5	K372 C373 F380 R382 S383 V388 H389 Q390	K372-L386 WeakPolarHBondContact O-CD2 3.38Å; C373-L386 HydrophobicContact CB-CD1 3.46Å; C373-L386 VanDerWaalsContact CB-CD1 3.46Å; F380-L386 HydrophobicContact CB-CB 4.38Å; F380-L386 HydrophobicContact CD2-CB 4.08Å; F380-L386 HydrophobicContact CD2-CD1 4.05Å; F380-L386 HydrophobicContact CE2-CD1 4.31Å; F380-L386 HydrophobicContact CG-CB 4.41Å; R382-L386 PolarHBondContact O-N 2.97Å; S383-L386 CarbonylContact O-C 3.54Å; S383-L386 WeakPolarHBondContact O-CA 3.41Å; S383-L386 WeakPolarHBondContact O-CB 3.38Å; S383-L386 PolarHBondContact O-N 3.15Å; L386-V388 PolarHBondContact O-N 2.8Å; L386-H389 CarbonylContact O-C 3.59Å; L386-H389 VanDerWaalsContact O-CA 3.28Å; L386-H389 WeakPolarHBondContact O-CA 3.26Å; L386-H389 VanDerWaalsContact O-CB 3.28Å; L386-H389 WeakPolarHBondContact O-CB 3.42Å; L386-H389 PolarHBondContact O-N 3.35Å; L386-Q390 HydrophobicContact CD1-CG 4.2Å; L386-Q390 PolarHBondContact O-N 3.29Å; L386-Q390 PolarHBondContact O-OE1 3.11Å
387	L	62.1	Low	59.6	Low	89 Å²	89	64.6 Å²	64.6	47%	0.466	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-46.6	179.2	-172.2	66	0	0	0	112.1	S383 H389 Q390 R391	S383-L387 PolarHBondContact O-N 3.22Å; L387-H389 PolarHBondContact O-N 3.24Å; L387-Q390 PolarHBondContact O-N 3.11Å; L387-R391 PolarHBondContact O-N 3.12Å
388	V	60.3	Low	60.3	Low	20 Å²	20	64.7 Å²	64.7	12%	0.121	35%	0.352	C	S	.	.	H	α-helix	trans	-74.6	-13.1	174.7	-170.6	0	0	0	0	112.3	S384 L386 Y410	S384-V388 WeakPolarHBondContact O-CG2 3.43Å; S384-V388 PolarHBondContact O-N 2.81Å; L386-V388 PolarHBondContact O-N 2.8Å; V388-Y410 HydrophobicContact CB-CE1 4.15Å; V388-Y410 HydrophobicContact CG1-CD1 4.27Å; V388-Y410 HydrophobicContact CG1-CD2 4.1Å; V388-Y410 HydrophobicContact CG1-CE1 3.76Å; V388-Y410 HydrophobicContact CG1-CE2 3.55Å; V388-Y410 HydrophobicContact CG1-CG 4.43Å; V388-Y410 HydrophobicContact CG2-CE1 4.08Å
389	H	62.6	Low	60.9	Low	23 Å²	23	64.1 Å²	64.1	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-79	-37.9	167.2	-170.4	40.5	0	0	0	113.1	C376 K378 F380 N385 L386 L387 R391 V392	C376-H389 PolarHBondContact SG-NE2 3.42Å; C376-H389 VanDerWaalsContact SG-NE2 3.36Å; K378-H389 PolarHBondContact NZ-NE2 3.3Å; F380-H389 HydrophobicContact CE1-CB 4.16Å; F380-H389 HydrophobicContact CE2-CB 3.83Å; F380-H389 AromaticContact CE2-CD2 3.39Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.44Å; F380-H389 AromaticContact CE2-CG 3.75Å; F380-H389 HydrophobicContact CZ-CB 3.56Å; F380-H389 AromaticContact CZ-CD2 3.32Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.45Å; F380-H389 AromaticContact CZ-CG 3.35Å; N385-H389 WeakPolarHBondContact O-CB 3.44Å; N385-H389 PolarHBondContact O-N 3.1Å; L386-H389 CarbonylContact O-C 3.59Å; L386-H389 VanDerWaalsContact O-CA 3.28Å; L386-H389 WeakPolarHBondContact O-CA 3.26Å; L386-H389 VanDerWaalsContact O-CB 3.28Å; L386-H389 WeakPolarHBondContact O-CB 3.42Å; L386-H389 PolarHBondContact O-N 3.35Å; L387-H389 PolarHBondContact O-N 3.24Å; H389-R391 PolarHBondContact O-N 3.06Å; H389-V392 WeakPolarHBondContact O-CA 3.3Å; H389-V392 WeakPolarHBondContact O-CB 3.42Å; H389-V392 WeakPolarHBondContact O-CG2 3.11Å; H389-V392 PolarHBondContact O-N 2.81Å
390	Q	61	Low	61	Low	76 Å²	76	70.8 Å²	70.8	36%	0.355	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-32.9	176.5	-72.1	163.2	-67.7	0	0	111.6	L386 L387 V392 H393 T394	L386-Q390 HydrophobicContact CD1-CG 4.2Å; L386-Q390 PolarHBondContact O-N 3.29Å; L386-Q390 PolarHBondContact O-OE1 3.11Å; L387-Q390 PolarHBondContact O-N 3.11Å; Q390-V392 PolarHBondContact O-N 2.71Å; Q390-H393 WeakPolarHBondContact O-CA 3.23Å; Q390-H393 WeakPolarHBondContact O-CB 3.22Å; Q390-H393 PolarHBondContact O-N 3.43Å; Q390-T394 PolarHBondContact O-N 3.04Å; Q390-T394 VanDerWaalsContact O-N 3.09Å
391	R	69.9	Low	60.9	Low	51 Å²	51	69.1 Å²	69.1	19%	0.192	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.2	169	-62.2	-179	-179	157.7	3.9	115.2	L387 H389 G395 E396	L387-R391 PolarHBondContact O-N 3.12Å; H389-R391 PolarHBondContact O-N 3.06Å; R391-G395 CarbonylContact O-C 3.35Å; R391-G395 WeakPolarHBondContact O-CA 3.18Å; R391-G395 PolarHBondContact O-N 3.41Å; R391-G395 VanDerWaalsContact O-N 3.16Å; R391-E396 HydrophobicContact CB-CB 4.14Å; R391-E396 HydrophobicContact CG-CB 4.02Å; R391-E396 IonicContact NE-OE2 3.51Å; R391-E396 PolarHBondContact O-N 2.97Å
392	V	57.6	Low	61.4	Low	94 Å²	94	73 Å²	73	57%	0.57	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-24.5	171.3	-175.1	0	0	0	0	111.6	H389 Q390	H389-V392 WeakPolarHBondContact O-CA 3.3Å; H389-V392 WeakPolarHBondContact O-CB 3.42Å; H389-V392 WeakPolarHBondContact O-CG2 3.11Å; H389-V392 PolarHBondContact O-N 2.81Å; Q390-V392 PolarHBondContact O-N 2.71Å
393	H	54.5	Low	60.9	Low	84 Å²	84	72.4 Å²	72.4	39%	0.389	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-50.5	176	-62.2	-64.4	0	0	0	111.2	E375 C376 Q390 G395	E375-H393 WeakPolarHBondContact OE2-CB 3.29Å; E375-H393 IonicContact OE2-CD2 3.86Å; E375-H393 PolarHBondContact OE2-CD2 2.88Å; E375-H393 VanDerWaalsContact OE2-CD2 3.25Å; E375-H393 IonicContact OE2-CG 3.41Å; E375-H393 VanDerWaalsContact OE2-CG 3.28Å; C376-H393 WeakPolarHBondContact CB-NE2 3.32Å; C376-H393 PolarHBondContact SG-NE2 3.26Å; C376-H393 VanDerWaalsContact SG-NE2 3.42Å; Q390-H393 WeakPolarHBondContact O-CA 3.23Å; Q390-H393 WeakPolarHBondContact O-CB 3.22Å; Q390-H393 PolarHBondContact O-N 3.43Å; H393-G395 PolarHBondContact O-N 3.43Å
394	T	57.5	Low	61	Low	86 Å²	86	71.1 Å²	71.1	53%	0.528	38%	0.382	S	S	.	.	S	Bend	trans	-69.5	-17.7	174.8	67.7	0	0	0	0	113.2	Q390 E396	Q390-T394 PolarHBondContact O-N 3.04Å; Q390-T394 VanDerWaalsContact O-N 3.09Å; T394-E396 WeakPolarHBondContact CB-OE1 3.3Å; T394-E396 PolarHBondContact O-N 3.11Å; T394-E396 WeakPolarHBondContact OG1-CG 3.34Å; T394-E396 PolarHBondContact OG1-OE1 2.89Å
395	G	56.4	Low	60.9	Low	44 Å²	44	70.8 Å²	70.8	45%	0.454	39%	0.389	S	S	.	.			trans	78	1.2	180	0	0	0	0	0	114.7	R391 H393	R391-G395 CarbonylContact O-C 3.35Å; R391-G395 WeakPolarHBondContact O-CA 3.18Å; R391-G395 PolarHBondContact O-N 3.41Å; R391-G395 VanDerWaalsContact O-N 3.16Å; H393-G395 PolarHBondContact O-N 3.43Å
396	E	57.8	Low	60.7	Low	92 Å²	92	72.6 Å²	72.6	43%	0.43	39%	0.394	S	S	.	.			trans	-54.3	136.9	-177.7	-81.8	163.4	-119.1	0	0	114.3	R391 T394	R391-E396 HydrophobicContact CB-CB 4.14Å; R391-E396 HydrophobicContact CG-CB 4.02Å; R391-E396 IonicContact NE-OE2 3.51Å; R391-E396 PolarHBondContact O-N 2.97Å; T394-E396 WeakPolarHBondContact CB-OE1 3.3Å; T394-E396 PolarHBondContact O-N 3.11Å; T394-E396 WeakPolarHBondContact OG1-CG 3.34Å; T394-E396 PolarHBondContact OG1-OE1 2.89Å
397	K	66.6	Low	60.3	Low	119 Å²	119	72.6 Å²	72.6	52%	0.517	40%	0.399	S	S	.	.			trans	-138.8	77.4	176.7	-72.4	160.1	-177.9	170.9	0	109.6	Y399 G407 F408	K397-Y399 VanDerWaalsContact C-N 3.26Å; K397-Y399 PolarHBondContact O-N 3.41Å; K397-G407 WeakPolarHBondContact CD-O 3.44Å; K397-F408 CarbonylContact C-O 3.53Å
398	P	67.4	Low	60.7	Low	64 Å²	64	70.2 Å²	70.2	42%	0.416	39%	0.385	S	S	.	.			trans	-58.4	-38.4	-174.5	-25.6	35.6	0	0	0	112.7	K400	P398-K400 PolarHBondContact O-N 3.37Å; P398-K400 VanDerWaalsContact O-N 3.12Å
399	Y	69.4	Low	60.6	Low	86 Å²	86	70.9 Å²	70.9	34%	0.337	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	86.8	-174.3	-50	-72.1	0	0	0	110.8	K397 G407 F408 S411	K397-Y399 VanDerWaalsContact C-N 3.26Å; K397-Y399 PolarHBondContact O-N 3.41Å; Y399-G407 CarbonylContact O-C 3.54Å; Y399-G407 WeakPolarHBondContact O-CA 3.44Å; Y399-F408 WeakPolarHBondContact CD2-O 3.39Å; Y399-F408 PolarHBondContact N-O 2.95Å; Y399-F408 PolarHBondContact O-N 3.33Å; Y399-S411 VanDerWaalsContact CD2-N 3.27Å
400	K	56.4	Low	60.7	Low	157 Å²	157	75 Å²	75	68%	0.683	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.2	176.8	-62.1	171.7	-172.7	166.5	0	111.1	P398	P398-K400 PolarHBondContact O-N 3.37Å; P398-K400 VanDerWaalsContact O-N 3.12Å
401	C	65.4	Low	60.8	Low	2 Å²	2	74 Å²	74	1%	0.014	41%	0.408	C	S	.	.			trans	-76.3	120	168.9	177.4	0	0	0	0	110.2	E403 C404 G405 K406 F408 L414	C401-E403 PolarHBondContact O-N 2.87Å; C401-C404 VanDerWaalsContact SG-SG 3.68Å; C401-G405 VanDerWaalsContact O-CA 3.28Å; C401-G405 WeakPolarHBondContact O-CA 3.09Å; C401-G405 PolarHBondContact O-N 3.04Å; C401-K406 WeakPolarHBondContact CB-O 3.47Å; C401-K406 PolarHBondContact N-O 3.24Å; C401-F408 HydrophobicContact CB-CE2 4.35Å; C401-L414 HydrophobicContact CB-CD1 3.52Å
402	S	62.1	Low	60.4	Low	107 Å²	107	74.8 Å²	74.8	75%	0.748	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-44.4	176.2	43.4	0	0	0	0	112.7	C404	S402-C404 PolarHBondContact O-N 3.12Å
403	E	52.8	Low	60.6	Low	104 Å²	104	73.6 Å²	73.6	49%	0.486	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.5	-172.9	-58.9	168.1	112.9	0	0	114.6	C401 H421	C401-E403 PolarHBondContact O-N 2.87Å; E403-H421 WeakPolarHBondContact OE1-CB 3.21Å; E403-H421 VanDerWaalsContact OE2-CB 3.24Å; E403-H421 WeakPolarHBondContact OE2-CB 3.36Å; E403-H421 IonicContact OE2-CD2 3.48Å; E403-H421 PolarHBondContact OE2-CD2 3.42Å; E403-H421 VanDerWaalsContact OE2-CD2 3.27Å; E403-H421 IonicContact OE2-CG 3.97Å
404	C	57	Low	61.3	Low	41 Å²	41	70.6 Å²	70.6	28%	0.277	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	13.3	-178.9	77.4	0	0	0	0	116.6	C401 S402 K406 H417 H421	C401-C404 VanDerWaalsContact SG-SG 3.68Å; S402-C404 PolarHBondContact O-N 3.12Å; C404-K406 PolarHBondContact O-N 3.3Å; C404-K406 PolarHBondContact SG-NZ 2.81Å; C404-H417 PolarHBondContact SG-NE2 3.21Å; C404-H417 VanDerWaalsContact SG-NE2 3.37Å; C404-H421 WeakPolarHBondContact CB-NE2 3.21Å; C404-H421 PolarHBondContact SG-NE2 2.81Å; C404-H421 VanDerWaalsContact SG-NE2 3.45Å
405	G	55.3	Low	61.6	Low	60 Å²	60	71.9 Å²	71.9	62%	0.619	40%	0.4	S	S	*	.			trans	66.9	0.7	175.1	0	0	0	0	0	116.1	C401 G407	C401-G405 VanDerWaalsContact O-CA 3.28Å; C401-G405 WeakPolarHBondContact O-CA 3.09Å; C401-G405 PolarHBondContact O-N 3.04Å; G405-G407 PolarHBondContact O-N 3.48Å
406	K	56.4	Low	62	Low	103 Å²	103	72 Å²	72	45%	0.448	39%	0.393	S	S	.	.			trans	-74.4	119.2	-176.5	-69.7	178.3	-159.4	122.4	0	111.1	C401 C404 F408	C401-K406 WeakPolarHBondContact CB-O 3.47Å; C401-K406 PolarHBondContact N-O 3.24Å; C404-K406 PolarHBondContact O-N 3.3Å; C404-K406 PolarHBondContact SG-NZ 2.81Å; K406-F408 HydrophobicContact CB-CE2 3.81Å; K406-F408 HydrophobicContact CB-CZ 3.95Å; K406-F408 WeakPolarHBondContact O-CD2 3.45Å; K406-F408 WeakPolarHBondContact O-CE2 3.48Å
407	G	58.6	Low	62.3	Low	22 Å²	22	68.9 Å²	68.9	23%	0.227	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.5	172.6	0	0	0	0	0	113.6	K397 Y399 G405	K397-G407 WeakPolarHBondContact CD-O 3.44Å; Y399-G407 CarbonylContact O-C 3.54Å; Y399-G407 WeakPolarHBondContact O-CA 3.44Å; G405-G407 PolarHBondContact O-N 3.48Å
408	F	69.1	Low	62.1	Low	40 Å²	40	66.3 Å²	66.3	18%	0.175	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.7	176.6	-59.1	-86.6	0	0	0	111.2	K397 Y399 C401 K406 V413 L414 H417	K397-F408 CarbonylContact C-O 3.53Å; Y399-F408 WeakPolarHBondContact CD2-O 3.39Å; Y399-F408 PolarHBondContact N-O 2.95Å; Y399-F408 PolarHBondContact O-N 3.33Å; C401-F408 HydrophobicContact CB-CE2 4.35Å; K406-F408 HydrophobicContact CB-CE2 3.81Å; K406-F408 HydrophobicContact CB-CZ 3.95Å; K406-F408 WeakPolarHBondContact O-CD2 3.45Å; K406-F408 WeakPolarHBondContact O-CE2 3.48Å; F408-V413 HydrophobicContact CD1-CB 4.44Å; F408-V413 HydrophobicContact CD1-CG1 3.63Å; F408-V413 HydrophobicContact CE1-CG1 4.19Å; F408-V413 HydrophobicContact CG-CG1 4.35Å; F408-L414 HydrophobicContact CB-CB 4.45Å; F408-L414 HydrophobicContact CD2-CB 3.98Å; F408-L414 HydrophobicContact CD2-CD1 3.9Å; F408-L414 HydrophobicContact CE2-CD1 4.03Å; F408-L414 HydrophobicContact CG-CB 4.42Å; F408-H417 HydrophobicContact CE1-CB 4.36Å; F408-H417 HydrophobicContact CE2-CB 4Å; F408-H417 AromaticContact CE2-CD2 3.38Å; F408-H417 WeakPolarHBondContact CE2-CD2 3.43Å; F408-H417 AromaticContact CE2-CG 3.76Å; F408-H417 HydrophobicContact CZ-CB 3.75Å; F408-H417 AromaticContact CZ-CD2 3.31Å; F408-H417 WeakPolarHBondContact CZ-CD2 3.44Å; F408-H417 AromaticContact CZ-CG 3.35Å; F408-H417 AromaticContact CZ-ND1 3.9Å; F408-H417 AromaticContact CZ-NE2 3.81Å
409	S	58.3	Low	62.4	Low	34 Å²	34	66.3 Å²	66.3	24%	0.238	36%	0.359	C	S	.	.	S	Bend	trans	-85	-8.9	179.6	-44.8	0	0	0	0	113.9
410	Y	65.6	Low	61.7	Low	109 Å²	109	67.4 Å²	67.4	43%	0.427	37%	0.37	S	S	.	.	S	Bend	trans	-137.3	136.7	177.6	-63.7	-89.3	0	0	0	110.9	V388 S412 V413 L414	V388-Y410 HydrophobicContact CB-CE1 4.15Å; V388-Y410 HydrophobicContact CG1-CD1 4.27Å; V388-Y410 HydrophobicContact CG1-CD2 4.1Å; V388-Y410 HydrophobicContact CG1-CE1 3.76Å; V388-Y410 HydrophobicContact CG1-CE2 3.55Å; V388-Y410 HydrophobicContact CG1-CG 4.43Å; V388-Y410 HydrophobicContact CG2-CE1 4.08Å; Y410-S412 PolarHBondContact O-N 2.71Å; Y410-V413 HydrophobicContact CD2-CG2 4.45Å; Y410-V413 PolarHBondContact O-N 2.95Å; Y410-L414 PolarHBondContact O-N 3.39Å
411	S	62.4	Low	61.7	Low	56 Å²	56	64.3 Å²	64.3	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-40.6	175.5	52.1	0	0	0	0	112.9	Y399 V413 L414 Q415	Y399-S411 VanDerWaalsContact CD2-N 3.27Å; S411-V413 PolarHBondContact O-N 3.15Å; S411-L414 WeakPolarHBondContact O-CA 3.45Å; S411-L414 WeakPolarHBondContact O-CB 3.49Å; S411-L414 PolarHBondContact O-N 3.21Å; S411-Q415 PolarHBondContact O-N 2.91Å
412	S	61	Low	61.3	Low	67 Å²	67	68.1 Å²	68.1	47%	0.469	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-25.4	177.8	58.6	0	0	0	0	113.8	Y410 V416	Y410-S412 PolarHBondContact O-N 2.71Å; S412-V416 WeakPolarHBondContact O-CG2 3.19Å; S412-V416 PolarHBondContact O-N 3.04Å
413	V	61.8	Low	61	Low	69 Å²	69	65 Å²	65	42%	0.418	37%	0.366	S	S	.	.	H	α-helix	trans	-80.8	-35.7	173.6	-179.2	0	0	0	0	110.7	F408 Y410 S411 V416 H417	F408-V413 HydrophobicContact CD1-CB 4.44Å; F408-V413 HydrophobicContact CD1-CG1 3.63Å; F408-V413 HydrophobicContact CE1-CG1 4.19Å; F408-V413 HydrophobicContact CG-CG1 4.35Å; Y410-V413 HydrophobicContact CD2-CG2 4.45Å; Y410-V413 PolarHBondContact O-N 2.95Å; S411-V413 PolarHBondContact O-N 3.15Å; V413-V416 PolarHBondContact O-N 2.87Å; V413-H417 WeakPolarHBondContact O-CB 3.33Å; V413-H417 PolarHBondContact O-N 3.21Å
414	L	70.1	Confident	61.3	Low	20 Å²	20	65 Å²	65	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-45.4	170.4	172.2	59.9	0	0	0	111.4	C401 F408 Y410 S411 V416 H417 Q418	C401-L414 HydrophobicContact CB-CD1 3.52Å; F408-L414 HydrophobicContact CB-CB 4.45Å; F408-L414 HydrophobicContact CD2-CB 3.98Å; F408-L414 HydrophobicContact CD2-CD1 3.9Å; F408-L414 HydrophobicContact CE2-CD1 4.03Å; F408-L414 HydrophobicContact CG-CB 4.42Å; Y410-L414 PolarHBondContact O-N 3.39Å; S411-L414 WeakPolarHBondContact O-CA 3.45Å; S411-L414 WeakPolarHBondContact O-CB 3.49Å; S411-L414 PolarHBondContact O-N 3.21Å; L414-V416 VanDerWaalsContact C-N 3.34Å; L414-V416 PolarHBondContact O-N 3.02Å; L414-H417 CarbonylContact O-C 3.4Å; L414-H417 WeakPolarHBondContact O-CA 3.44Å; L414-H417 VanDerWaalsContact O-CB 3.28Å; L414-H417 WeakPolarHBondContact O-CB 3.47Å; L414-H417 PolarHBondContact O-N 3.46Å; L414-Q418 HydrophobicContact CD1-CG 3.97Å; L414-Q418 HydrophobicContact CG-CG 4.4Å; L414-Q418 WeakPolarHBondContact O-CG 3.23Å; L414-Q418 PolarHBondContact O-N 3.3Å; L414-Q418 PolarHBondContact O-OE1 3.17Å
415	Q	64.4	Low	61.8	Low	113 Å²	113	69.2 Å²	69.2	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-59.6	-41	176.9	-72.2	175.5	-16.3	0	0	112.6	S411 H417	S411-Q415 PolarHBondContact O-N 2.91Å; Q415-H417 VanDerWaalsContact C-N 3.27Å; Q415-H417 PolarHBondContact O-N 2.87Å
416	V	63.6	Low	62.5	Low	48 Å²	48	69.6 Å²	69.6	29%	0.291	37%	0.371	S	S	.	.	H	α-helix	trans	-70.1	-24.8	173.5	170.8	0	0	0	0	112.1	S412 V413 L414 A438	S412-V416 WeakPolarHBondContact O-CG2 3.19Å; S412-V416 PolarHBondContact O-N 3.04Å; V413-V416 PolarHBondContact O-N 2.87Å; L414-V416 VanDerWaalsContact C-N 3.34Å; L414-V416 PolarHBondContact O-N 3.02Å; V416-A438 HydrophobicContact CG1-CB 3.93Å; V416-A438 HydrophobicContact CG2-CB 4.33Å
417	H	65	Low	63.2	Low	25 Å²	25	68.3 Å²	68.3	12%	0.116	36%	0.364	C	S	.	.	H	α-helix	trans	-76.6	-42.1	174.8	-173.8	55.7	0	0	0	113.1	C404 F408 V413 L414 Q415 R419 L420	C404-H417 PolarHBondContact SG-NE2 3.21Å; C404-H417 VanDerWaalsContact SG-NE2 3.37Å; F408-H417 HydrophobicContact CE1-CB 4.36Å; F408-H417 HydrophobicContact CE2-CB 4Å; F408-H417 AromaticContact CE2-CD2 3.38Å; F408-H417 WeakPolarHBondContact CE2-CD2 3.43Å; F408-H417 AromaticContact CE2-CG 3.76Å; F408-H417 HydrophobicContact CZ-CB 3.75Å; F408-H417 AromaticContact CZ-CD2 3.31Å; F408-H417 WeakPolarHBondContact CZ-CD2 3.44Å; F408-H417 AromaticContact CZ-CG 3.35Å; F408-H417 AromaticContact CZ-ND1 3.9Å; F408-H417 AromaticContact CZ-NE2 3.81Å; V413-H417 WeakPolarHBondContact O-CB 3.33Å; V413-H417 PolarHBondContact O-N 3.21Å; L414-H417 CarbonylContact O-C 3.4Å; L414-H417 WeakPolarHBondContact O-CA 3.44Å; L414-H417 VanDerWaalsContact O-CB 3.28Å; L414-H417 WeakPolarHBondContact O-CB 3.47Å; L414-H417 PolarHBondContact O-N 3.46Å; Q415-H417 VanDerWaalsContact C-N 3.27Å; Q415-H417 PolarHBondContact O-N 2.87Å; H417-R419 PolarHBondContact O-N 2.88Å; H417-L420 WeakPolarHBondContact O-CB 3.34Å; H417-L420 WeakPolarHBondContact O-CG 3.46Å; H417-L420 PolarHBondContact O-N 2.99Å
418	Q	63.1	Low	62.7	Low	65 Å²	65	71.6 Å²	71.6	30%	0.304	38%	0.38	S	S	.	.	H	α-helix	trans	-59	-34.6	178.2	-73	165.4	-61.5	0	0	112	L414 L420 H421 T422	L414-Q418 HydrophobicContact CD1-CG 3.97Å; L414-Q418 HydrophobicContact CG-CG 4.4Å; L414-Q418 WeakPolarHBondContact O-CG 3.23Å; L414-Q418 PolarHBondContact O-N 3.3Å; L414-Q418 PolarHBondContact O-OE1 3.17Å; Q418-L420 PolarHBondContact O-N 3.2Å; Q418-H421 WeakPolarHBondContact O-CB 3.38Å; Q418-H421 PolarHBondContact O-N 3.21Å; Q418-T422 PolarHBondContact O-N 3.04Å; Q418-T422 VanDerWaalsContact O-N 3.14Å
419	R	72.9	Confident	62.5	Low	64 Å²	64	69.8 Å²	69.8	24%	0.242	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.1	171	-66.8	177.9	-176.7	158.2	6.2	115.1	H417 G423 E424 C437	H417-R419 PolarHBondContact O-N 2.88Å; R419-G423 CarbonylContact O-C 3.39Å; R419-G423 PolarHBondContact O-N 3.5Å; R419-E424 HydrophobicContact CB-CB 4.26Å; R419-E424 HydrophobicContact CG-CB 4.16Å; R419-E424 IonicContact NE-OE2 3.2Å; R419-E424 PolarHBondContact O-N 3.2Å; R419-C437 HydrophobicContact CB-CB 3.84Å; R419-C437 PolarHBondContact NH1-O 3.15Å
420	L	54.5	Low	62.7	Low	109 Å²	109	73.5 Å²	73.5	57%	0.571	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-18.8	171.1	-55	179.9	0	0	0	112.8	H417 Q418 C437	H417-L420 WeakPolarHBondContact O-CB 3.34Å; H417-L420 WeakPolarHBondContact O-CG 3.46Å; H417-L420 PolarHBondContact O-N 2.99Å; Q418-L420 PolarHBondContact O-N 3.2Å; L420-C437 HydrophobicContact CD2-CB 4.39Å
421	H	55.8	Low	62.2	Low	92 Å²	92	74.2 Å²	74.2	43%	0.426	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-50.3	174.2	-65.3	-66	0	0	0	110.8	E403 C404 Q418 G423	E403-H421 WeakPolarHBondContact OE1-CB 3.21Å; E403-H421 VanDerWaalsContact OE2-CB 3.24Å; E403-H421 WeakPolarHBondContact OE2-CB 3.36Å; E403-H421 IonicContact OE2-CD2 3.48Å; E403-H421 PolarHBondContact OE2-CD2 3.42Å; E403-H421 VanDerWaalsContact OE2-CD2 3.27Å; E403-H421 IonicContact OE2-CG 3.97Å; C404-H421 WeakPolarHBondContact CB-NE2 3.21Å; C404-H421 PolarHBondContact SG-NE2 2.81Å; C404-H421 VanDerWaalsContact SG-NE2 3.45Å; Q418-H421 WeakPolarHBondContact O-CB 3.38Å; Q418-H421 PolarHBondContact O-N 3.21Å; H421-G423 PolarHBondContact O-N 3.44Å
422	T	58.7	Low	62.1	Low	83 Å²	83	73.9 Å²	73.9	51%	0.509	40%	0.402	S	S	.	.	S	Bend	trans	-68.3	-11.6	174.8	64.8	0	0	0	0	113.7	Q418 E424	Q418-T422 PolarHBondContact O-N 3.04Å; Q418-T422 VanDerWaalsContact O-N 3.14Å; T422-E424 PolarHBondContact O-N 3Å; T422-E424 WeakPolarHBondContact OG1-CG 3.3Å
423	G	55.8	Low	61.9	Low	41 Å²	41	73.4 Å²	73.4	42%	0.423	41%	0.409	S	S	.	.			trans	74.1	-2	-179.5	0	0	0	0	0	114.9	R419 H421	R419-G423 CarbonylContact O-C 3.39Å; R419-G423 PolarHBondContact O-N 3.5Å; H421-G423 PolarHBondContact O-N 3.44Å
424	E	59	Low	61.6	Low	103 Å²	103	76 Å²	76	48%	0.481	41%	0.414	S	S	.	.			trans	-55.2	132.3	-177.5	-78.5	-178.1	-176	0	0	113.5	R419 T422	R419-E424 HydrophobicContact CB-CB 4.26Å; R419-E424 HydrophobicContact CG-CB 4.16Å; R419-E424 IonicContact NE-OE2 3.2Å; R419-E424 PolarHBondContact O-N 3.2Å; T422-E424 PolarHBondContact O-N 3Å; T422-E424 WeakPolarHBondContact OG1-CG 3.3Å
425	K	66.1	Low	60.9	Low	130 Å²	130	76.1 Å²	76.1	57%	0.565	42%	0.421	S	S	*	.			trans	-131.2	68.5	178	-72.1	158.3	-169.6	158.3	0	111.1	Y427 F436	K425-Y427 PolarHBondContact O-N 3.04Å; K425-F436 CarbonylContact C-O 3.55Å; K425-F436 WeakPolarHBondContact CA-O 3.37Å
426	P	70.7	Confident	61.3	Low	69 Å²	69	72.9 Å²	72.9	45%	0.448	41%	0.405	S	S	.	.			trans	-64.9	-12.4	-171.9	-21	34.7	0	0	0	114.6
427	Y	70.8	Confident	61	Low	75 Å²	75	71.9 Å²	71.9	29%	0.294	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	87.9	-178.9	-49.8	-72.3	0	0	0	109.7	K425 F436 K439	K425-Y427 PolarHBondContact O-N 3.04Å; Y427-F436 WeakPolarHBondContact CD2-O 3.35Å; Y427-F436 PolarHBondContact N-O 2.86Å; Y427-F436 PolarHBondContact O-N 3.31Å; Y427-K439 HydrophobicContact CD1-CB 3.9Å; Y427-K439 HydrophobicContact CD1-CG 4.28Å; Y427-K439 HydrophobicContact CD2-CB 4.42Å; Y427-K439 HydrophobicContact CE1-CB 3.85Å; Y427-K439 HydrophobicContact CE1-CD 4.47Å; Y427-K439 HydrophobicContact CE1-CG 4.41Å; Y427-K439 HydrophobicContact CE2-CB 4.36Å; Y427-K439 HydrophobicContact CG-CB 4.18Å
428	T	48.5	Very low	61.3	Low	92 Å²	92	71.3 Å²	71.3	56%	0.564	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.3	175.2	47.6	0	0	0	0	111.9	L442	T428-L442 WeakPolarHBondContact O-CD2 3.22Å
429	C	65.8	Low	61.3	Low	2 Å²	2	75.6 Å²	75.6	1%	0.014	42%	0.417	C	S	.	.			trans	-85.5	118.2	170.6	-179.7	0	0	0	0	110.1	E431 C432 G433 K434 F436 L442 H449	C429-E431 PolarHBondContact O-N 3.32Å; C429-C432 PolarHBondContact O-N 3.01Å; C429-C432 VanDerWaalsContact SG-SG 3.62Å; C429-G433 WeakPolarHBondContact O-CA 3.5Å; C429-G433 PolarHBondContact O-N 3.2Å; C429-K434 WeakPolarHBondContact CB-O 3.22Å; C429-K434 PolarHBondContact N-O 3.39Å; C429-F436 HydrophobicContact CB-CE2 4.47Å; C429-L442 HydrophobicContact CB-CD1 3.62Å; C429-H449 PolarHBondContact SG-NE2 2.66Å
430	S	61.2	Low	60.8	Low	111 Å²	111	76.4 Å²	76.4	78%	0.776	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.1	178.1	45.8	0	0	0	0	114.1
431	E	55.8	Low	61.3	Low	125 Å²	125	73 Å²	73	58%	0.584	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-13.5	-172.5	-63.4	166.2	146.9	0	0	113.6	C429 H449	C429-E431 PolarHBondContact O-N 3.32Å; E431-H449 IonicContact OE2-CD2 3.33Å; E431-H449 PolarHBondContact OE2-CD2 3.09Å; E431-H449 IonicContact OE2-CG 3.32Å
432	C	60.8	Low	61.9	Low	48 Å²	48	69.4 Å²	69.4	32%	0.324	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.7	9.6	-178	73.8	0	0	0	0	115.8	C429 K434 H445 H449	C429-C432 PolarHBondContact O-N 3.01Å; C429-C432 VanDerWaalsContact SG-SG 3.62Å; C432-K434 PolarHBondContact O-N 3Å; C432-H445 PolarHBondContact SG-NE2 3.48Å; C432-H449 WeakPolarHBondContact CB-CE1 3.24Å; C432-H449 PolarHBondContact SG-CE1 2.74Å; C432-H449 PolarHBondContact SG-NE2 2.48Å
433	G	55.2	Low	62.2	Low	58 Å²	58	70.8 Å²	70.8	60%	0.598	40%	0.404	S	S	*	.			trans	68.4	-6	179.4	0	0	0	0	0	116.2	C429 G435	C429-G433 WeakPolarHBondContact O-CA 3.5Å; C429-G433 PolarHBondContact O-N 3.2Å; G433-G435 PolarHBondContact O-N 2.84Å
434	K	55.6	Low	62.5	Low	122 Å²	122	74.8 Å²	74.8	53%	0.53	41%	0.41	S	S	.	.			trans	-67.2	120.9	-175.5	-71	174.6	-175.5	165.2	0	111.4	C429 C432 F436	C429-K434 WeakPolarHBondContact CB-O 3.22Å; C429-K434 PolarHBondContact N-O 3.39Å; C432-K434 PolarHBondContact O-N 3Å; K434-F436 HydrophobicContact CB-CE2 3.87Å; K434-F436 HydrophobicContact CB-CZ 4.17Å; K434-F436 WeakPolarHBondContact O-CD2 3.4Å; K434-F436 WeakPolarHBondContact O-CE2 3.39Å
435	G	56.8	Low	62.6	Low	24 Å²	24	70.9 Å²	70.9	25%	0.247	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141.6	177.8	0	0	0	0	0	113.9	G433	G433-G435 PolarHBondContact O-N 2.84Å
436	F	72.2	Confident	62.5	Low	45 Å²	45	68.4 Å²	68.4	20%	0.197	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.9	179.6	-61.5	-91.9	0	0	0	111.3	K425 Y427 C429 K434 A438 A441 L442 H445	K425-F436 CarbonylContact C-O 3.55Å; K425-F436 WeakPolarHBondContact CA-O 3.37Å; Y427-F436 WeakPolarHBondContact CD2-O 3.35Å; Y427-F436 PolarHBondContact N-O 2.86Å; Y427-F436 PolarHBondContact O-N 3.31Å; C429-F436 HydrophobicContact CB-CE2 4.47Å; K434-F436 HydrophobicContact CB-CE2 3.87Å; K434-F436 HydrophobicContact CB-CZ 4.17Å; K434-F436 WeakPolarHBondContact O-CD2 3.4Å; K434-F436 WeakPolarHBondContact O-CE2 3.39Å; F436-A438 VanDerWaalsContact C-N 3.32Å; F436-A441 HydrophobicContact CB-CB 4.3Å; F436-A441 HydrophobicContact CD1-CB 3.93Å; F436-A441 HydrophobicContact CG-CB 4.42Å; F436-L442 HydrophobicContact CB-CB 4.33Å; F436-L442 HydrophobicContact CD2-CB 4.05Å; F436-L442 HydrophobicContact CD2-CD1 3.88Å; F436-L442 HydrophobicContact CE2-CD1 4.09Å; F436-L442 HydrophobicContact CG-CB 4.29Å; F436-H445 HydrophobicContact CE1-CB 4.01Å; F436-H445 HydrophobicContact CE2-CB 3.99Å; F436-H445 AromaticContact CE2-CD2 3.25Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.27Å; F436-H445 AromaticContact CE2-CG 3.7Å; F436-H445 AromaticContact CE2-NE2 4Å; F436-H445 HydrophobicContact CZ-CB 3.53Å; F436-H445 AromaticContact CZ-CD2 3.28Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.32Å; F436-H445 AromaticContact CZ-CG 3.26Å; F436-H445 AromaticContact CZ-ND1 3.91Å; F436-H445 AromaticContact CZ-NE2 3.91Å
437	C	56.5	Low	62.1	Low	26 Å²	26	68.7 Å²	68.7	18%	0.176	38%	0.377	C	S	.	.	S	Bend	trans	-76.6	-14.6	176.9	58.1	0	0	0	0	114.1	R419 L420	R419-C437 HydrophobicContact CB-CB 3.84Å; R419-C437 PolarHBondContact NH1-O 3.15Å; L420-C437 HydrophobicContact CD2-CB 4.39Å
438	A	70.8	Confident	61.4	Low	14 Å²	14	69.9 Å²	69.9	12%	0.116	39%	0.388	C	S	.	.	S	Bend	trans	-139.3	136.6	-179.5	0	0	0	0	0	113.2	V416 F436 S440 A441 L442	V416-A438 HydrophobicContact CG1-CB 3.93Å; V416-A438 HydrophobicContact CG2-CB 4.33Å; F436-A438 VanDerWaalsContact C-N 3.32Å; A438-S440 PolarHBondContact O-N 3.11Å; A438-A441 WeakPolarHBondContact O-CB 3.19Å; A438-A441 PolarHBondContact O-N 3.12Å; A438-L442 PolarHBondContact O-N 3.38Å
439	K	64.3	Low	61.7	Low	155 Å²	155	68.7 Å²	68.7	67%	0.674	38%	0.375	S	S	*	.	H	α-helix	trans	-57.7	-33.6	179	-169.2	173	-178.6	175.2	0	113.2	Y427 A441 L442 H443	Y427-K439 HydrophobicContact CD1-CB 3.9Å; Y427-K439 HydrophobicContact CD1-CG 4.28Å; Y427-K439 HydrophobicContact CD2-CB 4.42Å; Y427-K439 HydrophobicContact CE1-CB 3.85Å; Y427-K439 HydrophobicContact CE1-CD 4.47Å; Y427-K439 HydrophobicContact CE1-CG 4.41Å; Y427-K439 HydrophobicContact CE2-CB 4.36Å; Y427-K439 HydrophobicContact CG-CB 4.18Å; K439-A441 VanDerWaalsContact C-N 3.31Å; K439-A441 PolarHBondContact O-N 3.19Å; K439-L442 PolarHBondContact O-N 3.41Å; K439-H443 PolarHBondContact O-N 3.44Å
440	S	63	Low	61	Low	81 Å²	81	72.5 Å²	72.5	57%	0.566	40%	0.4	S	S	*	.	H	α-helix	trans	-72.4	-19.4	176.2	57.8	0	0	0	0	114	A438 K444	A438-S440 PolarHBondContact O-N 3.11Å; S440-K444 WeakPolarHBondContact O-CG 3.35Å
441	A	64	Low	60.5	Low	36 Å²	36	69.6 Å²	69.6	30%	0.298	39%	0.388	S	S	.	.	H	α-helix	trans	-82.1	-41.7	170.5	0	0	0	0	0	110.9	F436 A438 K439 H443 K444 H445	F436-A441 HydrophobicContact CB-CB 4.3Å; F436-A441 HydrophobicContact CD1-CB 3.93Å; F436-A441 HydrophobicContact CG-CB 4.42Å; A438-A441 WeakPolarHBondContact O-CB 3.19Å; A438-A441 PolarHBondContact O-N 3.12Å; K439-A441 VanDerWaalsContact C-N 3.31Å; K439-A441 PolarHBondContact O-N 3.19Å; A441-H443 PolarHBondContact O-N 3.11Å; A441-K444 PolarHBondContact O-N 3.45Å; A441-H445 PolarHBondContact O-N 3.34Å
442	L	68.8	Low	60.3	Low	18 Å²	18	70.1 Å²	70.1	9%	0.094	39%	0.39	C	S	.	.	H	α-helix	trans	-57.9	-47.3	171.8	175	59.9	0	0	0	111.4	T428 C429 F436 A438 K439 K444 H445 Q446	T428-L442 WeakPolarHBondContact O-CD2 3.22Å; C429-L442 HydrophobicContact CB-CD1 3.62Å; F436-L442 HydrophobicContact CB-CB 4.33Å; F436-L442 HydrophobicContact CD2-CB 4.05Å; F436-L442 HydrophobicContact CD2-CD1 3.88Å; F436-L442 HydrophobicContact CE2-CD1 4.09Å; F436-L442 HydrophobicContact CG-CB 4.29Å; A438-L442 PolarHBondContact O-N 3.38Å; K439-L442 PolarHBondContact O-N 3.41Å; L442-K444 VanDerWaalsContact C-N 3.28Å; L442-K444 PolarHBondContact O-N 3.39Å; L442-H445 CarbonylContact O-C 3.59Å; L442-H445 WeakPolarHBondContact O-CA 3.37Å; L442-H445 WeakPolarHBondContact O-CB 3.39Å; L442-H445 PolarHBondContact O-N 3.32Å; L442-Q446 HydrophobicContact CD1-CG 4.04Å; L442-Q446 HydrophobicContact CG-CG 4.33Å; L442-Q446 WeakPolarHBondContact O-CG 3.33Å; L442-Q446 PolarHBondContact O-N 3.3Å
443	H	65.4	Low	60	Low	111 Å²	111	74 Å²	74	51%	0.514	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-35.1	177.7	-169.8	-42	0	0	0	112.9	K439 A441 H445 H447	K439-H443 PolarHBondContact O-N 3.44Å; A441-H443 PolarHBondContact O-N 3.11Å; H443-H445 VanDerWaalsContact C-N 3.29Å; H443-H447 AromaticContact CE1-NE2 3.31Å; H443-H447 PolarHBondContact CE1-NE2 2.95Å; H443-H447 VanDerWaalsContact CE1-NE2 3.31Å; H443-H447 AromaticContact ND1-CD2 3.93Å; H443-H447 AromaticContact ND1-NE2 3.27Å; H443-H447 PolarHBondContact ND1-NE2 3.14Å; H443-H447 PolarHBondContact O-CD2 3.4Å
444	K	61.6	Low	60.2	Low	126 Å²	126	74.5 Å²	74.5	55%	0.548	39%	0.394	S	S	.	.	H	α-helix	trans	-72.9	-22.7	173.4	-73	173.8	-177.9	179.2	0	113.2	S440 A441 L442	S440-K444 WeakPolarHBondContact O-CG 3.35Å; A441-K444 PolarHBondContact O-N 3.45Å; L442-K444 VanDerWaalsContact C-N 3.28Å; L442-K444 PolarHBondContact O-N 3.39Å
445	H	61.5	Low	60.4	Low	21 Å²	21	73.4 Å²	73.4	10%	0.097	39%	0.387	C	S	.	.	H	α-helix	trans	-85.9	-32.2	177.7	175.6	57.9	0	0	0	113	C432 F436 A441 L442 H443 H447 I448 H449	C432-H445 PolarHBondContact SG-NE2 3.48Å; F436-H445 HydrophobicContact CE1-CB 4.01Å; F436-H445 HydrophobicContact CE2-CB 3.99Å; F436-H445 AromaticContact CE2-CD2 3.25Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.27Å; F436-H445 AromaticContact CE2-CG 3.7Å; F436-H445 AromaticContact CE2-NE2 4Å; F436-H445 HydrophobicContact CZ-CB 3.53Å; F436-H445 AromaticContact CZ-CD2 3.28Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.32Å; F436-H445 AromaticContact CZ-CG 3.26Å; F436-H445 AromaticContact CZ-ND1 3.91Å; F436-H445 AromaticContact CZ-NE2 3.91Å; A441-H445 PolarHBondContact O-N 3.34Å; L442-H445 CarbonylContact O-C 3.59Å; L442-H445 WeakPolarHBondContact O-CA 3.37Å; L442-H445 WeakPolarHBondContact O-CB 3.39Å; L442-H445 PolarHBondContact O-N 3.32Å; H443-H445 VanDerWaalsContact C-N 3.29Å; H445-H447 PolarHBondContact O-N 3.45Å; H445-I448 VanDerWaalsContact O-CB 3.24Å; H445-I448 WeakPolarHBondContact O-CB 3.44Å; H445-I448 WeakPolarHBondContact O-CG1 3.14Å; H445-I448 PolarHBondContact O-N 3.15Å; H445-H449 AromaticContact CD2-NE2 2.81Å; H445-H449 PolarHBondContact CD2-NE2 2.82Å; H445-H449 AromaticContact CE1-CE1 3.19Å; H445-H449 PolarHBondContact CE1-CE1 2.87Å; H445-H449 AromaticContact CE1-NE2 3.13Å; H445-H449 PolarHBondContact CE1-NE2 3.43Å; H445-H449 AromaticContact CG-NE2 3.71Å; H445-H449 AromaticContact ND1-NE2 3.86Å; H445-H449 AromaticContact NE2-CE1 3.16Å; H445-H449 PolarHBondContact NE2-CE1 2.99Å; H445-H449 AromaticContact NE2-NE2 2.38Å; H445-H449 PolarHBondContact NE2-NE2 2.98Å
446	Q	62.8	Low	59.8	Low	78 Å²	78	76 Å²	76	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-33.6	177.6	-73	170.8	-71.6	0	0	111.9	L442 I448 H449 P450	L442-Q446 HydrophobicContact CD1-CG 4.04Å; L442-Q446 HydrophobicContact CG-CG 4.33Å; L442-Q446 WeakPolarHBondContact O-CG 3.33Å; L442-Q446 PolarHBondContact O-N 3.3Å; Q446-I448 PolarHBondContact O-N 2.92Å; Q446-H449 PolarHBondContact O-N 3.13Å; Q446-P450 WeakPolarHBondContact O-CD 3.45Å
447	H	64	Low	59.1	Low	75 Å²	75	74 Å²	74	35%	0.347	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	22.5	170.1	-56	-58.8	0	0	0	115.2	H443 H445	H443-H447 AromaticContact CE1-NE2 3.31Å; H443-H447 PolarHBondContact CE1-NE2 2.95Å; H443-H447 VanDerWaalsContact CE1-NE2 3.31Å; H443-H447 AromaticContact ND1-CD2 3.93Å; H443-H447 AromaticContact ND1-NE2 3.27Å; H443-H447 PolarHBondContact ND1-NE2 3.14Å; H443-H447 PolarHBondContact O-CD2 3.4Å; H445-H447 PolarHBondContact O-N 3.45Å
448	I	54.5	Low	59	Low	99 Å²	99	76.6 Å²	76.6	51%	0.508	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-28.4	175.5	-58.1	-177.2	0	0	0	111.1	H445 Q446	H445-I448 VanDerWaalsContact O-CB 3.24Å; H445-I448 WeakPolarHBondContact O-CB 3.44Å; H445-I448 WeakPolarHBondContact O-CG1 3.14Å; H445-I448 PolarHBondContact O-N 3.15Å; Q446-I448 PolarHBondContact O-N 2.92Å
449	H	54.3	Low	58.2	Low	67 Å²	67	82.1 Å²	82.1	31%	0.31	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-44.6	-174.7	-58.5	-51.9	0	0	0	115.3	C429 E431 C432 H445 Q446 G451	C429-H449 PolarHBondContact SG-NE2 2.66Å; E431-H449 IonicContact OE2-CD2 3.33Å; E431-H449 PolarHBondContact OE2-CD2 3.09Å; E431-H449 IonicContact OE2-CG 3.32Å; C432-H449 WeakPolarHBondContact CB-CE1 3.24Å; C432-H449 PolarHBondContact SG-CE1 2.74Å; C432-H449 PolarHBondContact SG-NE2 2.48Å; H445-H449 AromaticContact CD2-NE2 2.81Å; H445-H449 PolarHBondContact CD2-NE2 2.82Å; H445-H449 AromaticContact CE1-CE1 3.19Å; H445-H449 PolarHBondContact CE1-CE1 2.87Å; H445-H449 AromaticContact CE1-NE2 3.13Å; H445-H449 PolarHBondContact CE1-NE2 3.43Å; H445-H449 AromaticContact CG-NE2 3.71Å; H445-H449 AromaticContact ND1-NE2 3.86Å; H445-H449 AromaticContact NE2-CE1 3.16Å; H445-H449 PolarHBondContact NE2-CE1 2.99Å; H445-H449 AromaticContact NE2-NE2 2.38Å; H445-H449 PolarHBondContact NE2-NE2 2.98Å; Q446-H449 PolarHBondContact O-N 3.13Å; H449-G451 PolarHBondContact O-N 3.16Å; H449-G451 VanDerWaalsContact O-N 3.09Å
450	P	53	Low	57.5	Low	83 Å²	83	77 Å²	77	54%	0.539	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	1.9	177.6	30.2	-35.9	0	0	0	113.6	Q446 E452	Q446-P450 WeakPolarHBondContact O-CD 3.45Å; P450-E452 HydrophobicContact CB-CG 4.28Å; P450-E452 HydrophobicContact CG-CB 4.29Å; P450-E452 HydrophobicContact CG-CG 4.47Å; P450-E452 PolarHBondContact O-N 3.23Å
451	G	50.7	Low	57	Low	50 Å²	50	76.3 Å²	76.3	52%	0.515	44%	0.437	S	S	.	.			trans	70.2	-17.2	-176	0	0	0	0	0	115	H449 K453	H449-G451 PolarHBondContact O-N 3.16Å; H449-G451 VanDerWaalsContact O-N 3.09Å; G451-K453 PolarHBondContact O-N 3.14Å
452	E	50.8	Low	56.4	Low	135 Å²	135	80.2 Å²	80.2	63%	0.631	45%	0.448	S	S	*	.			trans	-51.7	120.7	172.4	-68.5	-172.3	173.7	0	0	111.1	P450 P454	P450-E452 HydrophobicContact CB-CG 4.28Å; P450-E452 HydrophobicContact CG-CB 4.29Å; P450-E452 HydrophobicContact CG-CG 4.47Å; P450-E452 PolarHBondContact O-N 3.23Å; E452-P454 WeakPolarHBondContact O-CD 3.05Å
453	K	55.3	Low	55.5	Low	130 Å²	130	80.3 Å²	80.3	57%	0.565	45%	0.453	S	S	*	.			trans	-110.7	90.5	170.9	-72.7	148.3	177.5	165.7	0	106.3	G451 Y455	G451-K453 PolarHBondContact O-N 3.14Å; K453-Y455 PolarHBondContact O-N 2.77Å
454	P	59.3	Low	55.4	Low	68 Å²	68	77.4 Å²	77.4	44%	0.442	44%	0.439	S	S	.	.	S	Bend	trans	-65.4	-12.9	-166.6	-21.1	33.9	0	0	0	113.5	E452	E452-P454 WeakPolarHBondContact O-CD 3.05Å
455	Y	59.1	Low	55	Low	99 Å²	99	73.3 Å²	73.3	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	86.1	-179.4	-51.9	-74.1	0	0	0	108.9	K453 G463 F464 C466 S467	K453-Y455 PolarHBondContact O-N 2.77Å; Y455-G463 WeakPolarHBondContact O-CA 3.33Å; Y455-F464 PolarHBondContact N-O 2.34Å; Y455-F464 PolarHBondContact O-N 2.6Å; Y455-C466 VanDerWaalsContact CD2-C 3.45Å; Y455-S467 VanDerWaalsContact CD2-N 3.29Å
456	S	44.3	Very low	54.7	Low	80 Å²	80	73.4 Å²	73.4	56%	0.559	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	144.8	176.8	54.6	0	0	0	0	112.6	L470	S456-L470 WeakPolarHBondContact O-CD2 3.27Å
457	C	57.6	Low	54.3	Low	1 Å²	1	72.5 Å²	72.5	1%	0.007	43%	0.432	C	S	.	.			trans	-94	109.2	175.2	-167.5	0	0	0	0	110	E459 C460 G461 K462 L470 H477	C457-E459 PolarHBondContact O-N 3.21Å; C457-C460 PolarHBondContact O-N 2.92Å; C457-G461 WeakPolarHBondContact O-CA 3.3Å; C457-G461 PolarHBondContact O-N 3.21Å; C457-K462 WeakPolarHBondContact CB-O 3.47Å; C457-K462 PolarHBondContact N-O 2.78Å; C457-L470 HydrophobicContact CB-CD1 3.5Å; C457-H477 PolarHBondContact SG-CD2 3.33Å
458	G	54.4	Low	53.9	Low	82 Å²	82	72.2 Å²	72.2	85%	0.845	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.4	-175.6	0	0	0	0	0	114.3	C460	G458-C460 PolarHBondContact O-N 3.23Å
459	E	52.9	Low	54.1	Low	129 Å²	129	72.5 Å²	72.5	60%	0.603	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.6	-176.8	-60.9	167.4	132.7	0	0	114	C457 H477	C457-E459 PolarHBondContact O-N 3.21Å; E459-H477 VanDerWaalsContact OE2-CB 3.27Å; E459-H477 WeakPolarHBondContact OE2-CB 3.35Å; E459-H477 IonicContact OE2-CD2 3.95Å; E459-H477 PolarHBondContact OE2-CD2 2.72Å; E459-H477 IonicContact OE2-CG 3.67Å
460	C	50.7	Low	54.4	Low	47 Å²	47	70.1 Å²	70.1	32%	0.318	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	3.6	-173.2	77.6	0	0	0	0	116.2	C457 G458 K462 H473 H477	C457-C460 PolarHBondContact O-N 2.92Å; G458-C460 PolarHBondContact O-N 3.23Å; C460-K462 PolarHBondContact O-N 3.07Å; C460-H473 PolarHBondContact SG-NE2 3.01Å; C460-H477 VanDerWaalsContact CB-NE2 3.25Å; C460-H477 WeakPolarHBondContact CB-NE2 3.37Å; C460-H477 PolarHBondContact SG-NE2 3.38Å
461	G	52.2	Low	54.7	Low	67 Å²	67	69.1 Å²	69.1	69%	0.691	42%	0.421	S	S	*	.			trans	68.4	-1.8	179.1	0	0	0	0	0	115.9	C457 G463	C457-G461 WeakPolarHBondContact O-CA 3.3Å; C457-G461 PolarHBondContact O-N 3.21Å; G461-G463 PolarHBondContact O-N 3.25Å
462	K	51.3	Low	55	Low	118 Å²	118	68.6 Å²	68.6	51%	0.513	41%	0.41	S	S	.	.			trans	-71.9	122.6	178.3	-68.1	174.1	-174.2	164.6	0	110	C457 C460 F464	C457-K462 WeakPolarHBondContact CB-O 3.47Å; C457-K462 PolarHBondContact N-O 2.78Å; C460-K462 PolarHBondContact O-N 3.07Å; K462-F464 HydrophobicContact CB-CE2 3.87Å; K462-F464 HydrophobicContact CB-CZ 4.06Å; K462-F464 VanDerWaalsContact O-CE2 3.27Å; K462-F464 WeakPolarHBondContact O-CE2 3.41Å
463	G	49.9	Very low	55.5	Low	21 Å²	21	63.3 Å²	63.3	22%	0.216	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.3	177.3	0	0	0	0	0	113.5	Y455 G461	Y455-G463 WeakPolarHBondContact O-CA 3.33Å; G461-G463 PolarHBondContact O-N 3.25Å
464	F	63.9	Low	55.7	Low	49 Å²	49	60.7 Å²	60.7	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.5	-173.2	-58.8	-94.3	0	0	0	111.1	Y455 K462 C466 H469 L470 H473	Y455-F464 PolarHBondContact N-O 2.34Å; Y455-F464 PolarHBondContact O-N 2.6Å; K462-F464 HydrophobicContact CB-CE2 3.87Å; K462-F464 HydrophobicContact CB-CZ 4.06Å; K462-F464 VanDerWaalsContact O-CE2 3.27Å; K462-F464 WeakPolarHBondContact O-CE2 3.41Å; F464-C466 VanDerWaalsContact C-N 3.29Å; F464-C466 PolarHBondContact O-N 2.91Å; F464-H469 HydrophobicContact CB-CB 4.27Å; F464-H469 HydrophobicContact CD1-CB 3.87Å; F464-H469 HydrophobicContact CG-CB 4.33Å; F464-L470 HydrophobicContact CB-CB 4.37Å; F464-L470 HydrophobicContact CD2-CB 4Å; F464-L470 HydrophobicContact CD2-CD1 3.92Å; F464-L470 HydrophobicContact CE2-CD1 4.15Å; F464-L470 HydrophobicContact CG-CB 4.35Å; F464-H473 HydrophobicContact CE1-CB 4.15Å; F464-H473 HydrophobicContact CE2-CB 4.02Å; F464-H473 AromaticContact CE2-CD2 3.3Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.48Å; F464-H473 AromaticContact CE2-CG 3.87Å; F464-H473 HydrophobicContact CZ-CB 3.61Å; F464-H473 AromaticContact CZ-CD2 3.22Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.36Å; F464-H473 AromaticContact CZ-CG 3.42Å; F464-H473 VanDerWaalsContact CZ-CG 3.42Å; F464-H473 AromaticContact CZ-NE2 3.97Å
465	S	51.6	Low	55.8	Low	41 Å²	41	61 Å²	61	29%	0.287	37%	0.369	S	S	.	.	S	Bend	trans	-82	-1	175.7	54.9	0	0	0	0	114.2
466	C	56.3	Low	55.6	Low	22 Å²	22	60.3 Å²	60.3	15%	0.149	38%	0.376	C	S	.	.	S	Bend	trans	-146.4	135.1	178.4	-71.7	0	0	0	0	110.5	Y455 F464 S468 H469 L470	Y455-C466 VanDerWaalsContact CD2-C 3.45Å; F464-C466 VanDerWaalsContact C-N 3.29Å; F464-C466 PolarHBondContact O-N 2.91Å; C466-S468 VanDerWaalsContact C-N 3.3Å; C466-S468 PolarHBondContact O-N 3.16Å; C466-H469 PolarHBondContact O-N 2.89Å; C466-H469 VanDerWaalsContact O-N 3.09Å; C466-L470 PolarHBondContact O-N 3.16Å
467	S	54.7	Low	55.9	Low	60 Å²	60	60.4 Å²	60.4	42%	0.42	37%	0.367	S	S	.	.	H	α-helix	trans	-56.9	-41	176.6	53.3	0	0	0	0	112.7	Y455 H469 L470 S471	Y455-S467 VanDerWaalsContact CD2-N 3.29Å; S467-H469 PolarHBondContact O-N 2.94Å; S467-L470 CarbonylContact O-C 3.54Å; S467-L470 WeakPolarHBondContact O-CA 3.45Å; S467-L470 WeakPolarHBondContact O-CB 3.34Å; S467-L470 PolarHBondContact O-N 2.83Å; S467-S471 PolarHBondContact O-N 2.87Å; S467-S471 PolarHBondContact O-OG 3.24Å
468	S	54.8	Low	55.7	Low	69 Å²	69	64 Å²	64	48%	0.483	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-30.2	177.5	56.5	0	0	0	0	113.7	C466 S472	C466-S468 VanDerWaalsContact C-N 3.3Å; C466-S468 PolarHBondContact O-N 3.16Å; S468-S472 WeakPolarHBondContact O-CB 3.48Å; S468-S472 PolarHBondContact O-N 3.41Å; S468-S472 VanDerWaalsContact O-N 3.14Å; S468-S472 PolarHBondContact O-OG 3.14Å
469	H	59.3	Low	55.7	Low	105 Å²	105	62.6 Å²	62.6	49%	0.486	38%	0.375	S	S	.	.	H	α-helix	trans	-78.3	-38.2	173.6	-63.9	156.3	0	0	0	111.7	F464 C466 S467 S472 H473	F464-H469 HydrophobicContact CB-CB 4.27Å; F464-H469 HydrophobicContact CD1-CB 3.87Å; F464-H469 HydrophobicContact CG-CB 4.33Å; C466-H469 PolarHBondContact O-N 2.89Å; C466-H469 VanDerWaalsContact O-N 3.09Å; S467-H469 PolarHBondContact O-N 2.94Å; H469-S472 PolarHBondContact O-N 3.31Å; H469-H473 WeakPolarHBondContact O-CB 3.46Å; H469-H473 PolarHBondContact O-N 3.38Å
470	L	60.4	Low	55.6	Low	17 Å²	17	61.2 Å²	61.2	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-50.8	170.6	173.1	63.8	0	0	0	111	S456 C457 F464 C466 S467 S472 H473 Q474	S456-L470 WeakPolarHBondContact O-CD2 3.27Å; C457-L470 HydrophobicContact CB-CD1 3.5Å; F464-L470 HydrophobicContact CB-CB 4.37Å; F464-L470 HydrophobicContact CD2-CB 4Å; F464-L470 HydrophobicContact CD2-CD1 3.92Å; F464-L470 HydrophobicContact CE2-CD1 4.15Å; F464-L470 HydrophobicContact CG-CB 4.35Å; C466-L470 PolarHBondContact O-N 3.16Å; S467-L470 CarbonylContact O-C 3.54Å; S467-L470 WeakPolarHBondContact O-CA 3.45Å; S467-L470 WeakPolarHBondContact O-CB 3.34Å; S467-L470 PolarHBondContact O-N 2.83Å; L470-S472 VanDerWaalsContact C-N 3.25Å; L470-S472 PolarHBondContact O-N 3.22Å; L470-H473 CarbonylContact O-C 3.48Å; L470-H473 WeakPolarHBondContact O-CA 3.34Å; L470-H473 WeakPolarHBondContact O-CB 3.45Å; L470-H473 PolarHBondContact O-N 3.49Å; L470-Q474 HydrophobicContact CD1-CG 3.97Å; L470-Q474 HydrophobicContact CG-CG 4.25Å; L470-Q474 WeakPolarHBondContact O-CG 3.49Å; L470-Q474 PolarHBondContact O-N 2.96Å
471	S	58.2	Low	55.9	Low	61 Å²	61	65.5 Å²	65.5	43%	0.427	38%	0.378	S	S	.	.	H	α-helix	trans	-66.3	-26.1	-179.9	-52.3	0	0	0	0	113.3	S467 H473 K475	S467-S471 PolarHBondContact O-N 2.87Å; S467-S471 PolarHBondContact O-OG 3.24Å; S471-H473 VanDerWaalsContact C-N 3.35Å; S471-K475 WeakPolarHBondContact O-CG 3.47Å
472	S	57	Low	56.4	Low	40 Å²	40	65.8 Å²	65.8	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-76.9	-23.3	170	-56.1	0	0	0	0	112.4	S468 H469 L470 H494	S468-S472 WeakPolarHBondContact O-CB 3.48Å; S468-S472 PolarHBondContact O-N 3.41Å; S468-S472 VanDerWaalsContact O-N 3.14Å; S468-S472 PolarHBondContact O-OG 3.14Å; H469-S472 PolarHBondContact O-N 3.31Å; L470-S472 VanDerWaalsContact C-N 3.25Å; L470-S472 PolarHBondContact O-N 3.22Å; S472-H494 PolarHBondContact OG-NE2 2.85Å
473	H	61.6	Low	56.9	Low	23 Å²	23	64.4 Å²	64.4	11%	0.106	36%	0.36	C	S	.	.	H	α-helix	trans	-86.5	-35.8	175.9	178.8	46.1	0	0	0	113.4	C460 F464 H469 L470 S471 K475 T476 H477	C460-H473 PolarHBondContact SG-NE2 3.01Å; F464-H473 HydrophobicContact CE1-CB 4.15Å; F464-H473 HydrophobicContact CE2-CB 4.02Å; F464-H473 AromaticContact CE2-CD2 3.3Å; F464-H473 WeakPolarHBondContact CE2-CD2 3.48Å; F464-H473 AromaticContact CE2-CG 3.87Å; F464-H473 HydrophobicContact CZ-CB 3.61Å; F464-H473 AromaticContact CZ-CD2 3.22Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.36Å; F464-H473 AromaticContact CZ-CG 3.42Å; F464-H473 VanDerWaalsContact CZ-CG 3.42Å; F464-H473 AromaticContact CZ-NE2 3.97Å; H469-H473 WeakPolarHBondContact O-CB 3.46Å; H469-H473 PolarHBondContact O-N 3.38Å; L470-H473 CarbonylContact O-C 3.48Å; L470-H473 WeakPolarHBondContact O-CA 3.34Å; L470-H473 WeakPolarHBondContact O-CB 3.45Å; L470-H473 PolarHBondContact O-N 3.49Å; S471-H473 VanDerWaalsContact C-N 3.35Å; H473-K475 PolarHBondContact O-N 3.03Å; H473-T476 PolarHBondContact CE1-OG1 2.93Å; H473-T476 PolarHBondContact ND1-OG1 3.19Å; H473-T476 WeakPolarHBondContact O-CA 3.32Å; H473-T476 WeakPolarHBondContact O-CB 3.26Å; H473-T476 PolarHBondContact O-N 3.17Å; H473-T476 PolarHBondContact O-OG1 3.02Å; H473-H477 AromaticContact CE1-NE2 3.5Å; H473-H477 AromaticContact NE2-NE2 3.65Å
474	Q	59.3	Low	57.1	Low	76 Å²	76	69.1 Å²	69.1	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-57.7	-36.9	174.8	-72.3	169	-61.9	0	0	111.1	L470 T476 H477 T478	L470-Q474 HydrophobicContact CD1-CG 3.97Å; L470-Q474 HydrophobicContact CG-CG 4.25Å; L470-Q474 WeakPolarHBondContact O-CG 3.49Å; L470-Q474 PolarHBondContact O-N 2.96Å; Q474-T476 PolarHBondContact O-N 2.8Å; Q474-H477 PolarHBondContact O-N 2.98Å; Q474-T478 PolarHBondContact O-N 3.36Å
475	K	63.2	Low	56.9	Low	73 Å²	73	66.9 Å²	66.9	32%	0.317	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-6.2	169.9	-66.5	-178	176.8	-164.6	0	115.4	S471 H473	S471-K475 WeakPolarHBondContact O-CG 3.47Å; H473-K475 PolarHBondContact O-N 3.03Å
476	T	54.6	Low	57.5	Low	86 Å²	86	71.8 Å²	71.8	53%	0.528	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-10.4	171.1	70.7	0	0	0	0	113.3	H473 Q474	H473-T476 PolarHBondContact CE1-OG1 2.93Å; H473-T476 PolarHBondContact ND1-OG1 3.19Å; H473-T476 WeakPolarHBondContact O-CA 3.32Å; H473-T476 WeakPolarHBondContact O-CB 3.26Å; H473-T476 PolarHBondContact O-N 3.17Å; H473-T476 PolarHBondContact O-OG1 3.02Å; Q474-T476 PolarHBondContact O-N 2.8Å
477	H	49.2	Very low	57.5	Low	81 Å²	81	77.8 Å²	77.8	38%	0.375	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-44.9	171.3	-58.2	-50.9	0	0	0	111.6	C457 E459 C460 H473 Q474 G479	C457-H477 PolarHBondContact SG-CD2 3.33Å; E459-H477 VanDerWaalsContact OE2-CB 3.27Å; E459-H477 WeakPolarHBondContact OE2-CB 3.35Å; E459-H477 IonicContact OE2-CD2 3.95Å; E459-H477 PolarHBondContact OE2-CD2 2.72Å; E459-H477 IonicContact OE2-CG 3.67Å; C460-H477 VanDerWaalsContact CB-NE2 3.25Å; C460-H477 WeakPolarHBondContact CB-NE2 3.37Å; C460-H477 PolarHBondContact SG-NE2 3.38Å; H473-H477 AromaticContact CE1-NE2 3.5Å; H473-H477 AromaticContact NE2-NE2 3.65Å; Q474-H477 PolarHBondContact O-N 2.98Å; H477-G479 PolarHBondContact O-N 2.83Å
478	T	53.7	Low	57.6	Low	77 Å²	77	77.5 Å²	77.5	47%	0.472	41%	0.41	S	S	.	.	S	Bend	trans	-66.3	-6.3	178.7	63.9	0	0	0	0	114.3	Q474 E480	Q474-T478 PolarHBondContact O-N 3.36Å; T478-E480 PolarHBondContact O-N 3.45Å; T478-E480 WeakPolarHBondContact OG1-CG 3.44Å
479	G	54.2	Low	57.4	Low	53 Å²	53	76.8 Å²	76.8	55%	0.546	41%	0.414	S	S	.	.			trans	67.9	-1	-176.5	0	0	0	0	0	114.3	H477 R481	H477-G479 PolarHBondContact O-N 2.83Å; G479-R481 WeakPolarHBondContact O-CG 3.43Å; G479-R481 PolarHBondContact O-N 3.17Å
480	E	52	Low	57	Low	99 Å²	99	77.4 Å²	77.4	46%	0.463	42%	0.415	S	S	.	.			trans	-59.5	117.7	-176.9	-78.4	-178.6	-169.3	0	0	111.7	T478 P482	T478-E480 PolarHBondContact O-N 3.45Å; T478-E480 WeakPolarHBondContact OG1-CG 3.44Å; E480-P482 HydrophobicContact CB-CG 4.37Å
481	R	57.3	Low	56.5	Low	138 Å²	138	76.8 Å²	76.8	52%	0.521	41%	0.413	S	S	.	.			trans	-125.6	69.1	173.1	-63.2	164.7	78.4	175.3	2.4	108.3	G479 Y483 Q484 G491 F492	G479-R481 WeakPolarHBondContact O-CG 3.43Å; G479-R481 PolarHBondContact O-N 3.17Å; R481-Y483 PolarHBondContact O-N 3.28Å; R481-Q484 WeakPolarHBondContact O-CG 3.48Å; R481-G491 VanDerWaalsContact CZ-O 3.23Å; R481-G491 VanDerWaalsContact NE-C 3.34Å; R481-G491 PolarHBondContact NE-O 3.21Å; R481-G491 PolarHBondContact NH2-O 3.26Å; R481-F492 CarbonylContact C-O 3.39Å
482	P	62.3	Low	56.8	Low	73 Å²	73	76.1 Å²	76.1	47%	0.474	40%	0.403	S	S	.	.			trans	-64.1	-21.3	-165.9	-20.8	34.3	0	0	0	113.3	E480 Q484	E480-P482 HydrophobicContact CB-CG 4.37Å; P482-Q484 PolarHBondContact O-N 3Å
483	Y	61.1	Low	56.5	Low	88 Å²	88	76.2 Å²	76.2	35%	0.345	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-99.4	79.7	179.7	-52.5	-72.2	0	0	0	108.7	R481 F492 H494 N495	R481-Y483 PolarHBondContact O-N 3.28Å; Y483-F492 PolarHBondContact N-O 2.92Å; Y483-F492 PolarHBondContact O-N 2.86Å; Y483-H494 VanDerWaalsContact CD2-CA 3.49Å; Y483-N495 HydrophobicContact CD1-CB 3.64Å; Y483-N495 HydrophobicContact CD2-CB 4.48Å; Y483-N495 VanDerWaalsContact CD2-N 3.25Å; Y483-N495 HydrophobicContact CE1-CB 3.72Å; Y483-N495 HydrophobicContact CG-CB 4.04Å
484	Q	54.6	Low	56.3	Low	120 Å²	120	78.9 Å²	78.9	56%	0.561	42%	0.416	S	S	*	.			trans	-79	154	175.2	-59.5	-160.2	23.7	0	0	112.1	R481 P482 L498	R481-Q484 WeakPolarHBondContact O-CG 3.48Å; P482-Q484 PolarHBondContact O-N 3Å; Q484-L498 WeakPolarHBondContact O-CD1 3.25Å; Q484-L498 VanDerWaalsContact O-CD2 3.26Å; Q484-L498 WeakPolarHBondContact O-CD2 3.12Å
485	C	60.3	Low	56.2	Low	2 Å²	2	78.8 Å²	78.8	1%	0.014	42%	0.417	C	S	.	.			trans	-105.6	107.9	176.2	-168.8	0	0	0	0	110.1	K487 C488 G489 K490 F492 L498 H505	C485-K487 PolarHBondContact O-N 2.99Å; C485-C488 PolarHBondContact O-N 3Å; C485-G489 PolarHBondContact O-N 2.97Å; C485-K490 WeakPolarHBondContact CB-O 3.39Å; C485-K490 PolarHBondContact N-O 3.16Å; C485-F492 HydrophobicContact CB-CE2 4.38Å; C485-L498 HydrophobicContact CB-CD1 3.5Å; C485-L498 VanDerWaalsContact CB-CD1 3.5Å; C485-H505 PolarHBondContact SG-CD2 3.33Å; C485-H505 PolarHBondContact SG-NE2 3.07Å; C485-H505 VanDerWaalsContact SG-NE2 3.44Å
486	D	63.1	Low	55.9	Low	144 Å²	144	79 Å²	79	77%	0.77	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.2	-170.7	-31.3	-76.9	0	0	0	112.6
487	K	56.6	Low	56	Low	149 Å²	149	81 Å²	81	65%	0.648	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.3	178.4	-67.9	-174.3	174.3	-177.5	0	114.9	C485 H505	C485-K487 PolarHBondContact O-N 2.99Å; K487-H505 HydrophobicContact CD-CB 3.85Å
488	C	56.4	Low	56.6	Low	53 Å²	53	77.7 Å²	77.7	36%	0.358	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.8	6.5	-176.7	72.1	0	0	0	0	117.1	C485 K490 H501 H505	C485-C488 PolarHBondContact O-N 3Å; C488-K490 PolarHBondContact O-N 2.81Å; C488-H501 PolarHBondContact SG-NE2 3.38Å; C488-H505 PolarHBondContact SG-NE2 2.83Å
489	G	50.8	Low	56.9	Low	54 Å²	54	78.4 Å²	78.4	56%	0.557	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	3.1	-179.2	0	0	0	0	0	115.6	C485 G491	C485-G489 PolarHBondContact O-N 2.97Å; G489-G491 PolarHBondContact O-N 3.39Å; G489-G491 VanDerWaalsContact O-N 3.16Å
490	K	51.4	Low	57.1	Low	118 Å²	118	76.4 Å²	76.4	51%	0.513	39%	0.388	S	S	.	.			trans	-76.1	109.3	-179.4	-71	-179.1	175.8	174.9	0	110.4	C485 C488 F492	C485-K490 WeakPolarHBondContact CB-O 3.39Å; C485-K490 PolarHBondContact N-O 3.16Å; C488-K490 PolarHBondContact O-N 2.81Å; K490-F492 HydrophobicContact CB-CE2 3.94Å; K490-F492 HydrophobicContact CB-CZ 4.13Å; K490-F492 VanDerWaalsContact O-CD2 3.26Å; K490-F492 WeakPolarHBondContact O-CD2 3.44Å; K490-F492 WeakPolarHBondContact O-CE2 3.33Å
491	G	49	Very low	57.6	Low	5 Å²	5	73.1 Å²	73.1	5%	0.052	37%	0.373	C	S	.	.			trans	-76.8	147	171.9	0	0	0	0	0	114.4	R481 G489	R481-G491 VanDerWaalsContact CZ-O 3.23Å; R481-G491 VanDerWaalsContact NE-C 3.34Å; R481-G491 PolarHBondContact NE-O 3.21Å; R481-G491 PolarHBondContact NH2-O 3.26Å; G489-G491 PolarHBondContact O-N 3.39Å; G489-G491 VanDerWaalsContact O-N 3.16Å
492	F	64.5	Low	57.8	Low	47 Å²	47	68.5 Å²	68.5	21%	0.206	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-129.5	149.8	175.3	-61.2	-88.8	0	0	0	111.3	R481 Y483 C485 K490 L498 H501	R481-F492 CarbonylContact C-O 3.39Å; Y483-F492 PolarHBondContact N-O 2.92Å; Y483-F492 PolarHBondContact O-N 2.86Å; C485-F492 HydrophobicContact CB-CE2 4.38Å; K490-F492 HydrophobicContact CB-CE2 3.94Å; K490-F492 HydrophobicContact CB-CZ 4.13Å; K490-F492 VanDerWaalsContact O-CD2 3.26Å; K490-F492 WeakPolarHBondContact O-CD2 3.44Å; K490-F492 WeakPolarHBondContact O-CE2 3.33Å; F492-L498 HydrophobicContact CB-CB 4.3Å; F492-L498 HydrophobicContact CD2-CB 3.97Å; F492-L498 HydrophobicContact CD2-CD1 3.94Å; F492-L498 HydrophobicContact CE2-CD1 4.24Å; F492-L498 HydrophobicContact CG-CB 4.33Å; F492-H501 HydrophobicContact CE1-CB 4.15Å; F492-H501 HydrophobicContact CE2-CB 3.77Å; F492-H501 AromaticContact CE2-CD2 3.38Å; F492-H501 WeakPolarHBondContact CE2-CD2 3.46Å; F492-H501 AromaticContact CE2-CG 3.7Å; F492-H501 HydrophobicContact CZ-CB 3.48Å; F492-H501 VanDerWaalsContact CZ-CB 3.48Å; F492-H501 AromaticContact CZ-CD2 3.43Å; F492-H501 VanDerWaalsContact CZ-CD2 3.43Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.31Å; F492-H501 AromaticContact CZ-CG 3.36Å
493	S	50.8	Low	57.9	Low	41 Å²	41	70 Å²	70	29%	0.287	35%	0.353	S	S	.	.	S	Bend	trans	-78.5	-18.2	179	50.5	0	0	0	0	113.9
494	H	59.2	Low	57.7	Low	80 Å²	80	68.9 Å²	68.9	37%	0.37	36%	0.356	S	S	.	.	S	Bend	trans	-139.6	141.5	176	-57.7	-89.9	0	0	0	111.3	S472 Y483 S496 Y497 L498	S472-H494 PolarHBondContact OG-NE2 2.85Å; Y483-H494 VanDerWaalsContact CD2-CA 3.49Å; H494-S496 PolarHBondContact O-N 3.28Å; H494-Y497 HydrophobicContact CB-CD2 3.94Å; H494-Y497 HydrophobicContact CB-CE2 4.31Å; H494-Y497 AromaticContact CD2-CE2 3.86Å; H494-Y497 PolarHBondContact O-N 3.21Å; H494-L498 PolarHBondContact O-N 3.45Å
495	N	56.7	Low	57.6	Low	73 Å²	73	66.2 Å²	66.2	39%	0.39	34%	0.343	S	S	.	.	H	α-helix	trans	-56.9	-35.8	179.3	-167.4	16.1	0	0	0	112.5	Y483 Y497 L498 Q499	Y483-N495 HydrophobicContact CD1-CB 3.64Å; Y483-N495 HydrophobicContact CD2-CB 4.48Å; Y483-N495 VanDerWaalsContact CD2-N 3.25Å; Y483-N495 HydrophobicContact CE1-CB 3.72Å; Y483-N495 HydrophobicContact CG-CB 4.04Å; N495-Y497 PolarHBondContact O-N 3.05Å; N495-L498 WeakPolarHBondContact O-CB 3.5Å; N495-L498 PolarHBondContact O-N 3.22Å; N495-Q499 WeakPolarHBondContact O-CB 3.25Å; N495-Q499 VanDerWaalsContact O-CG 3.28Å; N495-Q499 WeakPolarHBondContact O-CG 3.4Å; N495-Q499 PolarHBondContact O-N 2.87Å; N495-Q499 PolarHBondContact OD1-NE2 2.8Å
496	S	57.3	Low	57.3	Low	77 Å²	77	72.1 Å²	72.1	54%	0.538	37%	0.372	S	S	.	.	H	α-helix	trans	-56.6	-32.6	176.7	49.2	0	0	0	0	113.7	H494 A500	H494-S496 PolarHBondContact O-N 3.28Å; S496-A500 WeakPolarHBondContact O-CB 3.36Å; S496-A500 PolarHBondContact O-N 2.83Å
497	Y	55.1	Low	56.7	Low	129 Å²	129	67.9 Å²	67.9	51%	0.506	36%	0.362	S	S	.	.	H	α-helix	trans	-82.2	-33.2	175	-59.8	-49.7	0	0	0	112.7	H494 N495 H501	H494-Y497 HydrophobicContact CB-CD2 3.94Å; H494-Y497 HydrophobicContact CB-CE2 4.31Å; H494-Y497 AromaticContact CD2-CE2 3.86Å; H494-Y497 PolarHBondContact O-N 3.21Å; N495-Y497 PolarHBondContact O-N 3.05Å; Y497-H501 WeakPolarHBondContact O-CB 3.17Å; Y497-H501 PolarHBondContact O-N 3.3Å
498	L	61.8	Low	56.4	Low	11 Å²	11	66 Å²	66	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-49.5	169.4	172	62.3	0	0	0	110.9	Q484 C485 F492 H494 N495 A500 H501 Q502	Q484-L498 WeakPolarHBondContact O-CD1 3.25Å; Q484-L498 VanDerWaalsContact O-CD2 3.26Å; Q484-L498 WeakPolarHBondContact O-CD2 3.12Å; C485-L498 HydrophobicContact CB-CD1 3.5Å; C485-L498 VanDerWaalsContact CB-CD1 3.5Å; F492-L498 HydrophobicContact CB-CB 4.3Å; F492-L498 HydrophobicContact CD2-CB 3.97Å; F492-L498 HydrophobicContact CD2-CD1 3.94Å; F492-L498 HydrophobicContact CE2-CD1 4.24Å; F492-L498 HydrophobicContact CG-CB 4.33Å; H494-L498 PolarHBondContact O-N 3.45Å; N495-L498 WeakPolarHBondContact O-CB 3.5Å; N495-L498 PolarHBondContact O-N 3.22Å; L498-A500 VanDerWaalsContact C-N 3.33Å; L498-A500 PolarHBondContact O-N 3.45Å; L498-H501 CarbonylContact O-C 3.28Å; L498-H501 WeakPolarHBondContact O-CA 3.48Å; L498-H501 WeakPolarHBondContact O-CB 3.4Å; L498-H501 PolarHBondContact O-N 3.41Å; L498-Q502 HydrophobicContact CD1-CG 3.94Å; L498-Q502 HydrophobicContact CG-CG 4.28Å; L498-Q502 WeakPolarHBondContact O-CG 3.24Å; L498-Q502 PolarHBondContact O-N 3.06Å
499	Q	60.8	Low	56.3	Low	92 Å²	92	66.7 Å²	66.7	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-59	-42.7	178	-68.7	-65.4	-38	0	0	111.9	N495 H501 Q502 R503	N495-Q499 WeakPolarHBondContact O-CB 3.25Å; N495-Q499 VanDerWaalsContact O-CG 3.28Å; N495-Q499 WeakPolarHBondContact O-CG 3.4Å; N495-Q499 PolarHBondContact O-N 2.87Å; N495-Q499 PolarHBondContact OD1-NE2 2.8Å; Q499-H501 VanDerWaalsContact C-N 3.29Å; Q499-H501 PolarHBondContact O-N 2.94Å; Q499-Q502 VanDerWaalsContact NE2-OE1 3.14Å; Q499-Q502 PolarHBondContact O-N 2.81Å; Q499-R503 WeakPolarHBondContact O-CG 3.22Å; Q499-R503 PolarHBondContact O-N 3.45Å
500	A	58.3	Low	56.5	Low	11 Å²	11	69 Å²	69	9%	0.091	35%	0.352	C	S	.	.	H	α-helix	trans	-68.8	-25.8	174.3	0	0	0	0	0	113.4	S496 L498 Y522	S496-A500 WeakPolarHBondContact O-CB 3.36Å; S496-A500 PolarHBondContact O-N 2.83Å; L498-A500 VanDerWaalsContact C-N 3.33Å; L498-A500 PolarHBondContact O-N 3.45Å; A500-Y522 HydrophobicContact CB-CE1 4.25Å; A500-Y522 WeakPolarHBondContact CB-OH 3.09Å
501	H	61.8	Low	57	Low	31 Å²	31	67.7 Å²	67.7	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-79.1	-38	172.7	-177.3	53.7	0	0	0	112.9	C488 F492 Y497 L498 Q499 R503 V504 H505	C488-H501 PolarHBondContact SG-NE2 3.38Å; F492-H501 HydrophobicContact CE1-CB 4.15Å; F492-H501 HydrophobicContact CE2-CB 3.77Å; F492-H501 AromaticContact CE2-CD2 3.38Å; F492-H501 WeakPolarHBondContact CE2-CD2 3.46Å; F492-H501 AromaticContact CE2-CG 3.7Å; F492-H501 HydrophobicContact CZ-CB 3.48Å; F492-H501 VanDerWaalsContact CZ-CB 3.48Å; F492-H501 AromaticContact CZ-CD2 3.43Å; F492-H501 VanDerWaalsContact CZ-CD2 3.43Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.31Å; F492-H501 AromaticContact CZ-CG 3.36Å; Y497-H501 WeakPolarHBondContact O-CB 3.17Å; Y497-H501 PolarHBondContact O-N 3.3Å; L498-H501 CarbonylContact O-C 3.28Å; L498-H501 WeakPolarHBondContact O-CA 3.48Å; L498-H501 WeakPolarHBondContact O-CB 3.4Å; L498-H501 PolarHBondContact O-N 3.41Å; Q499-H501 VanDerWaalsContact C-N 3.29Å; Q499-H501 PolarHBondContact O-N 2.94Å; H501-R503 PolarHBondContact O-N 3.06Å; H501-V504 VanDerWaalsContact O-CB 3.22Å; H501-V504 WeakPolarHBondContact O-CB 3.29Å; H501-V504 WeakPolarHBondContact O-CG2 3.35Å; H501-V504 PolarHBondContact O-N 3.44Å; H501-H505 AromaticContact CD2-NE2 3.57Å; H501-H505 AromaticContact CE1-NE2 3.55Å; H501-H505 AromaticContact NE2-CD2 3.91Å; H501-H505 AromaticContact NE2-CE1 3.82Å; H501-H505 AromaticContact NE2-NE2 2.99Å; H501-H505 PolarHBondContact NE2-NE2 2.79Å
502	Q	61.3	Low	57.4	Low	41 Å²	41	73.5 Å²	73.5	19%	0.192	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-32.3	177.7	-77.7	165.8	-35.5	0	0	112	L498 Q499 V504 H505 M506	L498-Q502 HydrophobicContact CD1-CG 3.94Å; L498-Q502 HydrophobicContact CG-CG 4.28Å; L498-Q502 WeakPolarHBondContact O-CG 3.24Å; L498-Q502 PolarHBondContact O-N 3.06Å; Q499-Q502 VanDerWaalsContact NE2-OE1 3.14Å; Q499-Q502 PolarHBondContact O-N 2.81Å; Q502-V504 PolarHBondContact O-N 3.4Å; Q502-H505 PolarHBondContact O-N 3.49Å; Q502-M506 PolarHBondContact O-N 3.03Å; Q502-M506 VanDerWaalsContact O-N 3.09Å
503	R	65.1	Low	57.6	Low	104 Å²	104	71.3 Å²	71.3	39%	0.392	36%	0.359	S	S	.	.	H	α-helix	trans	-56.2	-30.5	170.4	-66.3	170.5	-166.2	-167	-3.3	113.7	Q499 H501 M506 G507 Q508	Q499-R503 WeakPolarHBondContact O-CG 3.22Å; Q499-R503 PolarHBondContact O-N 3.45Å; H501-R503 PolarHBondContact O-N 3.06Å; R503-M506 PolarHBondContact O-N 2.85Å; R503-G507 PolarHBondContact O-N 2.86Å; R503-Q508 PolarHBondContact O-N 3.24Å
504	V	56.1	Low	58.3	Low	65 Å²	65	76.8 Å²	76.8	39%	0.394	39%	0.385	S	S	.	.	H	α-helix	trans	-69.8	-35.9	175.5	-171.5	0	0	0	0	111	H501 Q502 M506	H501-V504 VanDerWaalsContact O-CB 3.22Å; H501-V504 WeakPolarHBondContact O-CB 3.29Å; H501-V504 WeakPolarHBondContact O-CG2 3.35Å; H501-V504 PolarHBondContact O-N 3.44Å; Q502-V504 PolarHBondContact O-N 3.4Å; V504-M506 VanDerWaalsContact C-N 3.32Å
505	H	53.9	Low	58.6	Low	64 Å²	64	78 Å²	78	30%	0.296	40%	0.398	S	S	.	.	H	α-helix	trans	-79.7	-13.1	175.4	-59.5	-63.4	0	0	0	114.1	C485 K487 C488 H501 Q502	C485-H505 PolarHBondContact SG-CD2 3.33Å; C485-H505 PolarHBondContact SG-NE2 3.07Å; C485-H505 VanDerWaalsContact SG-NE2 3.44Å; K487-H505 HydrophobicContact CD-CB 3.85Å; C488-H505 PolarHBondContact SG-NE2 2.83Å; H501-H505 AromaticContact CD2-NE2 3.57Å; H501-H505 AromaticContact CE1-NE2 3.55Å; H501-H505 AromaticContact NE2-CD2 3.91Å; H501-H505 AromaticContact NE2-CE1 3.82Å; H501-H505 AromaticContact NE2-NE2 2.99Å; H501-H505 PolarHBondContact NE2-NE2 2.79Å; Q502-H505 PolarHBondContact O-N 3.49Å
506	M	53.8	Low	59	Low	126 Å²	126	77 Å²	77	62%	0.621	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	0.4	175.1	-71.3	173.1	154.5	0	0	112.7	Q502 R503 V504 Q508	Q502-M506 PolarHBondContact O-N 3.03Å; Q502-M506 VanDerWaalsContact O-N 3.09Å; R503-M506 PolarHBondContact O-N 2.85Å; V504-M506 VanDerWaalsContact C-N 3.32Å; M506-Q508 HydrophobicContact CB-CG 4.48Å; M506-Q508 PolarHBondContact O-N 2.97Å
507	G	50.8	Low	59	Low	54 Å²	54	75.2 Å²	75.2	56%	0.557	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	0.6	-177.7	0	0	0	0	0	115	R503 H509	R503-G507 PolarHBondContact O-N 2.86Å; G507-H509 PolarHBondContact O-N 3.38Å
508	Q	50.4	Low	59.2	Low	109 Å²	109	75.2 Å²	75.2	51%	0.509	39%	0.392	S	S	.	.			trans	-76.1	65.1	-179.3	-72.3	-168.9	-13.8	0	0	112	R503 M506 L510	R503-Q508 PolarHBondContact O-N 3.24Å; M506-Q508 HydrophobicContact CB-CG 4.48Å; M506-Q508 PolarHBondContact O-N 2.97Å; Q508-L510 PolarHBondContact O-N 3Å
509	H	54.1	Low	58.9	Low	68 Å²	68	76.9 Å²	76.9	32%	0.315	41%	0.405	S	S	.	.			trans	-76.4	76.1	163.3	-64.8	-101.9	0	0	0	109.1	G507 Y511 S519	G507-H509 PolarHBondContact O-N 3.38Å; H509-Y511 PolarHBondContact O-N 3.05Å; H509-S519 WeakPolarHBondContact CB-OG 3.41Å; H509-S519 VanDerWaalsContact ND1-C 3.34Å; H509-S519 PolarHBondContact ND1-O 2.77Å
510	L	55	Low	59.2	Low	102 Å²	102	74.8 Å²	74.8	53%	0.534	40%	0.395	S	S	.	.			trans	-53.8	-16.2	-176.5	-66.3	168.1	0	0	0	114.5	Q508	Q508-L510 PolarHBondContact O-N 3Å
511	Y	61.7	Low	59.1	Low	91 Å²	91	76 Å²	76	36%	0.357	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	83.9	-175.6	-55.6	-71.2	0	0	0	110.6	H509 F520	H509-Y511 PolarHBondContact O-N 3.05Å; Y511-F520 PolarHBondContact N-O 3.24Å; Y511-F520 PolarHBondContact O-N 3.47Å
512	K	56.4	Low	59	Low	127 Å²	127	79.8 Å²	79.8	55%	0.552	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	142.8	174.8	-172	-178.8	177.9	-175.1	0	111.2	L526	K512-L526 WeakPolarHBondContact O-CD2 3.23Å
513	C	69.4	Low	59.1	Low	1 Å²	1	81 Å²	81	1%	0.007	43%	0.43	C	S	.	.			trans	-89.1	116.6	171.6	-172.9	0	0	0	0	110.9	V515 C516 G517 K518 F520 L526 H533	C513-V515 PolarHBondContact O-N 3.18Å; C513-C516 PolarHBondContact O-N 3.05Å; C513-G517 VanDerWaalsContact O-CA 3.31Å; C513-G517 WeakPolarHBondContact O-CA 3.35Å; C513-G517 PolarHBondContact O-N 3.05Å; C513-K518 VanDerWaalsContact CB-O 3.27Å; C513-K518 WeakPolarHBondContact CB-O 3.37Å; C513-K518 PolarHBondContact N-O 2.96Å; C513-F520 HydrophobicContact CB-CE2 4.49Å; C513-L526 HydrophobicContact CB-CD1 3.58Å; C513-H533 VanDerWaalsContact SG-CD2 3.55Å; C513-H533 PolarHBondContact SG-NE2 3.48Å; C513-H533 VanDerWaalsContact SG-NE2 3.39Å
514	N	64.9	Low	59.1	Low	156 Å²	156	80 Å²	80	83%	0.834	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.6	-177.9	-62.1	-3.9	0	0	0	113.1
515	V	66.3	Low	59.6	Low	105 Å²	105	77.5 Å²	77.5	64%	0.636	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-31.1	-176.5	-176.1	0	0	0	0	113.3	C513 H533	C513-V515 PolarHBondContact O-N 3.18Å; V515-H533 HydrophobicContact CB-CB 4.49Å; V515-H533 HydrophobicContact CG1-CB 4.16Å; V515-H533 HydrophobicContact CG2-CB 4.44Å
516	C	64.1	Low	60.4	Low	54 Å²	54	75.3 Å²	75.3	37%	0.365	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.5	11.4	-173.3	76.1	0	0	0	0	115.1	C513 K518 H529 H533	C513-C516 PolarHBondContact O-N 3.05Å; C516-K518 PolarHBondContact O-N 3.01Å; C516-H529 PolarHBondContact SG-NE2 3.22Å; C516-H533 VanDerWaalsContact SG-CE1 3.54Å; C516-H533 PolarHBondContact SG-NE2 3.29Å; C516-H533 VanDerWaalsContact SG-NE2 3.39Å
517	G	57.5	Low	61.1	Low	39 Å²	39	73.8 Å²	73.8	40%	0.402	41%	0.41	S	S	.	.			trans	69.7	-9.2	178.1	0	0	0	0	0	116.3	C513	C513-G517 VanDerWaalsContact O-CA 3.31Å; C513-G517 WeakPolarHBondContact O-CA 3.35Å; C513-G517 PolarHBondContact O-N 3.05Å
518	K	59.2	Low	61.8	Low	128 Å²	128	74.9 Å²	74.9	56%	0.557	40%	0.402	S	S	*	.			trans	-63.9	139.1	-177.5	-71	177.4	-177.7	172.7	0	111.6	C513 C516 F520	C513-K518 VanDerWaalsContact CB-O 3.27Å; C513-K518 WeakPolarHBondContact CB-O 3.37Å; C513-K518 PolarHBondContact N-O 2.96Å; C516-K518 PolarHBondContact O-N 3.01Å; K518-F520 HydrophobicContact CB-CE2 3.91Å; K518-F520 HydrophobicContact CB-CZ 4.13Å; K518-F520 WeakPolarHBondContact O-CE2 3.37Å
519	S	55.2	Low	62.7	Low	47 Å²	47	70.6 Å²	70.6	33%	0.329	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.9	-158.4	-118.7	0	0	0	0	111.4	H509	H509-S519 WeakPolarHBondContact CB-OG 3.41Å; H509-S519 VanDerWaalsContact ND1-C 3.34Å; H509-S519 PolarHBondContact ND1-O 2.77Å
520	F	66.9	Low	63.4	Low	47 Å²	47	70.9 Å²	70.9	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146	-166.6	-61.1	-90.5	0	0	0	112.4	Y511 C513 K518 Y522 L526 H529	Y511-F520 PolarHBondContact N-O 3.24Å; Y511-F520 PolarHBondContact O-N 3.47Å; C513-F520 HydrophobicContact CB-CE2 4.49Å; K518-F520 HydrophobicContact CB-CE2 3.91Å; K518-F520 HydrophobicContact CB-CZ 4.13Å; K518-F520 WeakPolarHBondContact O-CE2 3.37Å; F520-Y522 VanDerWaalsContact C-N 3.3Å; F520-L526 HydrophobicContact CB-CB 4.26Å; F520-L526 HydrophobicContact CD2-CB 4.01Å; F520-L526 HydrophobicContact CD2-CD1 3.94Å; F520-L526 HydrophobicContact CE2-CD1 4.22Å; F520-L526 HydrophobicContact CG-CB 4.29Å; F520-H529 HydrophobicContact CE1-CB 3.98Å; F520-H529 HydrophobicContact CE2-CB 3.79Å; F520-H529 AromaticContact CE2-CD2 3.38Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.45Å; F520-H529 AromaticContact CE2-CG 3.61Å; F520-H529 HydrophobicContact CZ-CB 3.42Å; F520-H529 VanDerWaalsContact CZ-CB 3.42Å; F520-H529 AromaticContact CZ-CD2 3.5Å; F520-H529 AromaticContact CZ-CG 3.26Å; F520-H529 AromaticContact CZ-ND1 3.86Å
521	S	56.5	Low	64.4	Low	38 Å²	38	68.9 Å²	68.9	27%	0.266	37%	0.369	S	S	.	.	S	Bend	trans	-78.9	-10	176.8	50.1	0	0	0	0	114.1
522	Y	61.1	Low	64.4	Low	110 Å²	110	70.8 Å²	70.8	43%	0.431	39%	0.385	S	S	.	.	S	Bend	trans	-143.2	143.2	179.8	-53.6	-78.8	0	0	0	111.1	A500 F520 S524 G525 L526	A500-Y522 HydrophobicContact CB-CE1 4.25Å; A500-Y522 WeakPolarHBondContact CB-OH 3.09Å; F520-Y522 VanDerWaalsContact C-N 3.3Å; Y522-S524 VanDerWaalsContact C-N 3.3Å; Y522-S524 PolarHBondContact O-N 3.03Å; Y522-G525 WeakPolarHBondContact O-CA 3.24Å; Y522-G525 PolarHBondContact O-N 2.8Å; Y522-L526 PolarHBondContact O-N 3.26Å; Y522-L526 VanDerWaalsContact O-N 3.16Å
523	S	62.6	Low	64.9	Low	66 Å²	66	68.4 Å²	68.4	46%	0.462	38%	0.375	S	S	.	.	H	α-helix	trans	-60.3	-37.1	176.6	52.4	0	0	0	0	112.7	G525 L526 L527	S523-G525 VanDerWaalsContact C-N 3.26Å; S523-G525 PolarHBondContact O-N 3.39Å; S523-L526 PolarHBondContact O-N 2.62Å; S523-L527 WeakPolarHBondContact O-CB 3.45Å; S523-L527 PolarHBondContact O-N 3.18Å
524	S	65.3	Low	64.7	Low	82 Å²	82	72.5 Å²	72.5	57%	0.573	40%	0.4	S	S	*	.	H	α-helix	trans	-62.6	-31.3	173.5	55.3	0	0	0	0	113	Y522 M528	Y522-S524 VanDerWaalsContact C-N 3.3Å; Y522-S524 PolarHBondContact O-N 3.03Å; S524-M528 WeakPolarHBondContact O-CB 3.4Å; S524-M528 PolarHBondContact O-N 2.81Å
525	G	66.6	Low	64.8	Low	14 Å²	14	67 Å²	67	14%	0.144	38%	0.38	C	S	.	.	H	α-helix	trans	-70.2	-43.6	173.2	0	0	0	0	0	112.2	Y522 S523 H529	Y522-G525 WeakPolarHBondContact O-CA 3.24Å; Y522-G525 PolarHBondContact O-N 2.8Å; S523-G525 VanDerWaalsContact C-N 3.26Å; S523-G525 PolarHBondContact O-N 3.39Å; G525-H529 WeakPolarHBondContact O-CB 3.48Å; G525-H529 PolarHBondContact O-N 2.94Å
526	L	71.2	Confident	64.8	Low	18 Å²	18	66.4 Å²	66.4	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-47.5	173.7	173.8	61.9	0	0	0	111.6	K512 C513 F520 Y522 S523 M528 H529 Q530	K512-L526 WeakPolarHBondContact O-CD2 3.23Å; C513-L526 HydrophobicContact CB-CD1 3.58Å; F520-L526 HydrophobicContact CB-CB 4.26Å; F520-L526 HydrophobicContact CD2-CB 4.01Å; F520-L526 HydrophobicContact CD2-CD1 3.94Å; F520-L526 HydrophobicContact CE2-CD1 4.22Å; F520-L526 HydrophobicContact CG-CB 4.29Å; Y522-L526 PolarHBondContact O-N 3.26Å; Y522-L526 VanDerWaalsContact O-N 3.16Å; S523-L526 PolarHBondContact O-N 2.62Å; L526-M528 PolarHBondContact O-N 3.26Å; L526-H529 CarbonylContact O-C 3.52Å; L526-H529 WeakPolarHBondContact O-CA 3.49Å; L526-H529 WeakPolarHBondContact O-CB 3.27Å; L526-H529 PolarHBondContact O-N 3.49Å; L526-Q530 HydrophobicContact CD1-CG 3.96Å; L526-Q530 HydrophobicContact CG-CG 4.25Å; L526-Q530 WeakPolarHBondContact O-CG 3.45Å; L526-Q530 PolarHBondContact O-N 3.25Å
527	L	68.4	Low	65.2	Low	93 Å²	93	69.6 Å²	69.6	49%	0.487	38%	0.378	S	S	.	.	H	α-helix	trans	-62.4	-42	-179.6	-175.1	65.6	0	0	0	111.9	S523 H529 Q530 R531	S523-L527 WeakPolarHBondContact O-CB 3.45Å; S523-L527 PolarHBondContact O-N 3.18Å; L527-H529 PolarHBondContact O-N 3.35Å; L527-Q530 PolarHBondContact O-N 3.34Å; L527-R531 PolarHBondContact O-N 3.48Å
528	M	64.3	Low	66	Low	78 Å²	78	71 Å²	71	38%	0.384	38%	0.381	S	S	.	.	H	α-helix	trans	-61.1	-33.5	171.4	179.4	-171.6	66.9	0	0	112.1	S524 L526 R549	S524-M528 WeakPolarHBondContact O-CB 3.4Å; S524-M528 PolarHBondContact O-N 2.81Å; L526-M528 PolarHBondContact O-N 3.26Å; M528-R549 HydrophobicContact CG-CG 4.41Å; M528-R549 HydrophobicContact SD-CG 4.35Å; M528-R549 PolarHBondContact SD-NH1 3.06Å
529	H	69.8	Low	66.8	Low	19 Å²	19	68.9 Å²	68.9	9%	0.088	37%	0.369	C	S	.	.	H	α-helix	trans	-78.4	-36.1	177.7	176.6	62.5	0	0	0	113.2	C516 F520 G525 L526 L527 R531 L532 H533	C516-H529 PolarHBondContact SG-NE2 3.22Å; F520-H529 HydrophobicContact CE1-CB 3.98Å; F520-H529 HydrophobicContact CE2-CB 3.79Å; F520-H529 AromaticContact CE2-CD2 3.38Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.45Å; F520-H529 AromaticContact CE2-CG 3.61Å; F520-H529 HydrophobicContact CZ-CB 3.42Å; F520-H529 VanDerWaalsContact CZ-CB 3.42Å; F520-H529 AromaticContact CZ-CD2 3.5Å; F520-H529 AromaticContact CZ-CG 3.26Å; F520-H529 AromaticContact CZ-ND1 3.86Å; G525-H529 WeakPolarHBondContact O-CB 3.48Å; G525-H529 PolarHBondContact O-N 2.94Å; L526-H529 CarbonylContact O-C 3.52Å; L526-H529 WeakPolarHBondContact O-CA 3.49Å; L526-H529 WeakPolarHBondContact O-CB 3.27Å; L526-H529 PolarHBondContact O-N 3.49Å; L527-H529 PolarHBondContact O-N 3.35Å; H529-R531 PolarHBondContact O-N 3.3Å; H529-L532 VanDerWaalsContact O-CB 3.25Å; H529-L532 WeakPolarHBondContact O-CB 3.5Å; H529-L532 PolarHBondContact O-N 2.86Å; H529-H533 AromaticContact CD2-NE2 3.73Å; H529-H533 AromaticContact CE1-NE2 3.53Å; H529-H533 AromaticContact NE2-CD2 3.97Å; H529-H533 AromaticContact NE2-CE1 3.83Å; H529-H533 AromaticContact NE2-NE2 3Å; H529-H533 PolarHBondContact NE2-NE2 3.25Å
530	Q	69.4	Low	67.5	Low	73 Å²	73	74.3 Å²	74.3	34%	0.341	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-34.9	177.4	-77.3	167.3	-52.6	0	0	112.1	L526 L527 L532 H533 T534	L526-Q530 HydrophobicContact CD1-CG 3.96Å; L526-Q530 HydrophobicContact CG-CG 4.25Å; L526-Q530 WeakPolarHBondContact O-CG 3.45Å; L526-Q530 PolarHBondContact O-N 3.25Å; L527-Q530 PolarHBondContact O-N 3.34Å; Q530-L532 PolarHBondContact O-N 3.41Å; Q530-L532 VanDerWaalsContact O-N 3.09Å; Q530-H533 PolarHBondContact O-N 3.3Å; Q530-T534 PolarHBondContact O-N 3.18Å; Q530-T534 PolarHBondContact O-OG1 2.98Å
531	R	75.6	Confident	68.1	Low	60 Å²	60	72.6 Å²	72.6	23%	0.226	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.5	171.2	-66.6	178.3	-178.7	170.4	3.1	115	L527 H529 G535 E536 G548	L527-R531 PolarHBondContact O-N 3.48Å; H529-R531 PolarHBondContact O-N 3.3Å; R531-G535 CarbonylContact O-C 3.21Å; R531-G535 PolarHBondContact O-N 2.99Å; R531-E536 HydrophobicContact CB-CB 4.15Å; R531-E536 HydrophobicContact CG-CB 3.96Å; R531-E536 PolarHBondContact O-N 3.44Å; R531-G548 PolarHBondContact NH1-O 3.28Å
532	L	62.3	Low	68.8	Low	132 Å²	132	79.9 Å²	79.9	69%	0.691	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-20.8	172.5	-55.8	179.9	0	0	0	112.5	H529 Q530	H529-L532 VanDerWaalsContact O-CB 3.25Å; H529-L532 WeakPolarHBondContact O-CB 3.5Å; H529-L532 PolarHBondContact O-N 2.86Å; Q530-L532 PolarHBondContact O-N 3.41Å; Q530-L532 VanDerWaalsContact O-N 3.09Å
533	H	66.7	Low	69.2	Low	76 Å²	76	77.2 Å²	77.2	35%	0.352	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-43.5	176.1	-56.4	-60.7	0	0	0	111.7	C513 V515 C516 H529 Q530 G535	C513-H533 VanDerWaalsContact SG-CD2 3.55Å; C513-H533 PolarHBondContact SG-NE2 3.48Å; C513-H533 VanDerWaalsContact SG-NE2 3.39Å; V515-H533 HydrophobicContact CB-CB 4.49Å; V515-H533 HydrophobicContact CG1-CB 4.16Å; V515-H533 HydrophobicContact CG2-CB 4.44Å; C516-H533 VanDerWaalsContact SG-CE1 3.54Å; C516-H533 PolarHBondContact SG-NE2 3.29Å; C516-H533 VanDerWaalsContact SG-NE2 3.39Å; H529-H533 AromaticContact CD2-NE2 3.73Å; H529-H533 AromaticContact CE1-NE2 3.53Å; H529-H533 AromaticContact NE2-CD2 3.97Å; H529-H533 AromaticContact NE2-CE1 3.83Å; H529-H533 AromaticContact NE2-NE2 3Å; H529-H533 PolarHBondContact NE2-NE2 3.25Å; Q530-H533 PolarHBondContact O-N 3.3Å; H533-G535 PolarHBondContact O-N 3.38Å
534	T	64.6	Low	69.5	Low	87 Å²	87	77 Å²	77	53%	0.534	42%	0.416	S	S	.	.	S	Bend	trans	-74.2	-8.5	175.5	61.5	0	0	0	0	113.1	Q530 E536	Q530-T534 PolarHBondContact O-N 3.18Å; Q530-T534 PolarHBondContact O-OG1 2.98Å; T534-E536 VanDerWaalsContact CB-OE1 3.29Å; T534-E536 WeakPolarHBondContact CB-OE1 3.34Å; T534-E536 PolarHBondContact O-N 2.9Å; T534-E536 VanDerWaalsContact O-N 3.12Å; T534-E536 VanDerWaalsContact OG1-CD 3.26Å; T534-E536 WeakPolarHBondContact OG1-CG 3.37Å; T534-E536 PolarHBondContact OG1-OE1 3.29Å
535	G	66.4	Low	69.8	Low	40 Å²	40	78.9 Å²	78.9	41%	0.412	41%	0.414	S	S	.	.			trans	70.8	-1.5	-176.8	0	0	0	0	0	114.6	R531 H533 K537	R531-G535 CarbonylContact O-C 3.21Å; R531-G535 PolarHBondContact O-N 2.99Å; H533-G535 PolarHBondContact O-N 3.38Å; G535-K537 WeakPolarHBondContact O-CG 3.37Å; G535-K537 PolarHBondContact O-N 3.14Å
536	E	66.6	Low	70.1	Confident	94 Å²	94	80 Å²	80	44%	0.439	42%	0.42	S	S	.	.			trans	-52.5	121.9	-177.6	-84.3	168.5	-114.2	0	0	112.9	R531 T534	R531-E536 HydrophobicContact CB-CB 4.15Å; R531-E536 HydrophobicContact CG-CB 3.96Å; R531-E536 PolarHBondContact O-N 3.44Å; T534-E536 VanDerWaalsContact CB-OE1 3.29Å; T534-E536 WeakPolarHBondContact CB-OE1 3.34Å; T534-E536 PolarHBondContact O-N 2.9Å; T534-E536 VanDerWaalsContact O-N 3.12Å; T534-E536 VanDerWaalsContact OG1-CD 3.26Å; T534-E536 WeakPolarHBondContact OG1-CG 3.37Å; T534-E536 PolarHBondContact OG1-OE1 3.29Å
537	K	73.4	Confident	70.4	Confident	120 Å²	120	81.4 Å²	81.4	52%	0.522	43%	0.425	S	S	.	.			trans	-129.4	74.9	177	-72.7	154.1	-177.5	170.4	0	109.4	G535 Y539 S546 F547	G535-K537 WeakPolarHBondContact O-CG 3.37Å; G535-K537 PolarHBondContact O-N 3.14Å; K537-Y539 PolarHBondContact O-N 2.82Å; K537-Y539 VanDerWaalsContact O-N 3.13Å; K537-S546 VanDerWaalsContact CB-CB 3.45Å; K537-S546 WeakPolarHBondContact CD-O 3.25Å; K537-F547 CarbonylContact C-O 3.41Å; K537-F547 VanDerWaalsContact C-O 3.25Å; K537-F547 VanDerWaalsContact CA-O 3.32Å; K537-F547 WeakPolarHBondContact CA-O 3.5Å
538	P	74.4	Confident	70.5	Confident	70 Å²	70	78.2 Å²	78.2	46%	0.455	41%	0.414	S	S	.	.			trans	-61.6	-24.9	-172.3	-23.9	35.3	0	0	0	113.7	K540	P538-K540 PolarHBondContact O-N 3.22Å
539	Y	75.5	Confident	71	Confident	82 Å²	82	79.8 Å²	79.8	32%	0.322	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	83	-175.4	-52.6	-75.4	0	0	0	109.7	K537 F547 S550	K537-Y539 PolarHBondContact O-N 2.82Å; K537-Y539 VanDerWaalsContact O-N 3.13Å; Y539-F547 WeakPolarHBondContact CB-O 3.19Å; Y539-F547 WeakPolarHBondContact CD2-O 3.45Å; Y539-F547 PolarHBondContact N-O 2.99Å; Y539-F547 VanDerWaalsContact N-O 3.11Å; Y539-F547 PolarHBondContact O-N 3.4Å; Y539-S550 VanDerWaalsContact CD2-N 3.26Å
540	K	69.3	Low	71.2	Confident	161 Å²	161	82.2 Å²	82.2	70%	0.7	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.7	175.4	-54.6	-170.4	-179.7	176.8	0	110.9	P538 L553	P538-K540 PolarHBondContact O-N 3.22Å; K540-L553 WeakPolarHBondContact O-CD2 3.34Å
541	C	79.4	Confident	71.4	Confident	12 Å²	12	81.7 Å²	81.7	8%	0.081	44%	0.439	C	S	.	.			trans	-106.4	151.3	168	-158	0	0	0	0	109.4	C543 G544 K545 F547 L553	C541-C543 PolarHBondContact O-N 3.05Å; C541-G544 PolarHBondContact O-N 2.85Å; C541-K545 WeakPolarHBondContact CB-O 3.27Å; C541-K545 PolarHBondContact N-O 2.78Å; C541-F547 HydrophobicContact CB-CE2 4.41Å; C541-L553 HydrophobicContact CB-CD1 3.44Å; C541-L553 VanDerWaalsContact CB-CD1 3.44Å
542	E	72.4	Confident	71.4	Confident	190 Å²	190	80.3 Å²	80.3	89%	0.888	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-26.5	178.4	-69.4	139.3	-152	0	0	113.7	G544	E542-G544 PolarHBondContact O-N 2.98Å
543	C	68.4	Low	72.2	Confident	54 Å²	54	75.1 Å²	75.1	37%	0.365	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	17.4	174.4	71.4	0	0	0	0	115	C541 K545 H556 H560	C541-C543 PolarHBondContact O-N 3.05Å; C543-K545 PolarHBondContact O-N 3.28Å; C543-K545 VanDerWaalsContact O-N 3.13Å; C543-H556 PolarHBondContact SG-NE2 2.97Å; C543-H560 VanDerWaalsContact CB-CE1 3.43Å; C543-H560 WeakPolarHBondContact CB-CE1 3.34Å; C543-H560 VanDerWaalsContact SG-CE1 3.53Å; C543-H560 PolarHBondContact SG-NE2 3.05Å
544	G	70.2	Confident	72.7	Confident	62 Å²	62	75.8 Å²	75.8	64%	0.639	41%	0.412	S	S	*	.	S	Bend	trans	74.3	-10.8	-177.1	0	0	0	0	0	115.5	C541 E542 S546	C541-G544 PolarHBondContact O-N 2.85Å; E542-G544 PolarHBondContact O-N 2.98Å; G544-S546 PolarHBondContact O-OG 2.95Å
545	K	70.8	Confident	73.2	Confident	122 Å²	122	73.6 Å²	73.6	53%	0.53	40%	0.397	S	S	.	.			trans	-78.7	127.6	-179	-68.6	173.4	-178.1	166.7	0	110.9	C541 C543 F547	C541-K545 WeakPolarHBondContact CB-O 3.27Å; C541-K545 PolarHBondContact N-O 2.78Å; C543-K545 PolarHBondContact O-N 3.28Å; C543-K545 VanDerWaalsContact O-N 3.13Å; K545-F547 HydrophobicContact CB-CE2 3.96Å; K545-F547 HydrophobicContact CB-CZ 4.06Å; K545-F547 WeakPolarHBondContact O-CE2 3.33Å
546	S	73.4	Confident	73.8	Confident	38 Å²	38	72.9 Å²	72.9	27%	0.266	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.4	-172.7	-52.4	0	0	0	0	111.6	K537 G544	K537-S546 VanDerWaalsContact CB-CB 3.45Å; K537-S546 WeakPolarHBondContact CD-O 3.25Å; G544-S546 PolarHBondContact O-OG 2.95Å
547	F	77.6	Confident	74.3	Confident	47 Å²	47	72.1 Å²	72.1	21%	0.206	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.5	-172.4	-57.8	-89.2	0	0	0	112.5	K537 Y539 C541 K545 R549 D552 L553 H556	K537-F547 CarbonylContact C-O 3.41Å; K537-F547 VanDerWaalsContact C-O 3.25Å; K537-F547 VanDerWaalsContact CA-O 3.32Å; K537-F547 WeakPolarHBondContact CA-O 3.5Å; Y539-F547 WeakPolarHBondContact CB-O 3.19Å; Y539-F547 WeakPolarHBondContact CD2-O 3.45Å; Y539-F547 PolarHBondContact N-O 2.99Å; Y539-F547 VanDerWaalsContact N-O 3.11Å; Y539-F547 PolarHBondContact O-N 3.4Å; C541-F547 HydrophobicContact CB-CE2 4.41Å; K545-F547 HydrophobicContact CB-CE2 3.96Å; K545-F547 HydrophobicContact CB-CZ 4.06Å; K545-F547 WeakPolarHBondContact O-CE2 3.33Å; F547-R549 VanDerWaalsContact C-N 3.32Å; F547-D552 HydrophobicContact CB-CB 4.29Å; F547-D552 HydrophobicContact CD1-CB 4.03Å; F547-D552 HydrophobicContact CG-CB 4.41Å; F547-L553 HydrophobicContact CB-CB 4.35Å; F547-L553 HydrophobicContact CD2-CB 4.02Å; F547-L553 HydrophobicContact CD2-CD1 3.92Å; F547-L553 HydrophobicContact CE2-CD1 4.19Å; F547-L553 HydrophobicContact CG-CB 4.38Å; F547-H556 HydrophobicContact CE1-CB 4.11Å; F547-H556 HydrophobicContact CE2-CB 3.74Å; F547-H556 AromaticContact CE2-CD2 3.4Å; F547-H556 VanDerWaalsContact CE2-CD2 3.4Å; F547-H556 WeakPolarHBondContact CE2-CD2 3Å; F547-H556 AromaticContact CE2-CG 3.6Å; F547-H556 HydrophobicContact CZ-CB 3.5Å; F547-H556 AromaticContact CZ-CD2 3.43Å; F547-H556 VanDerWaalsContact CZ-CD2 3.43Å; F547-H556 WeakPolarHBondContact CZ-CD2 3.43Å; F547-H556 AromaticContact CZ-CG 3.25Å; F547-H556 AromaticContact CZ-ND1 3.78Å
548	G	70.4	Confident	74.7	Confident	25 Å²	25	68 Å²	68	26%	0.258	36%	0.361	S	S	.	.	S	Bend	trans	-78.6	-11.1	176.4	0	0	0	0	0	114.9	R531	R531-G548 PolarHBondContact NH1-O 3.28Å
549	R	74.1	Confident	74.7	Confident	112 Å²	112	67.6 Å²	67.6	42%	0.423	36%	0.356	S	S	.	.	S	Bend	trans	-135.7	140.6	178	-68.4	-176	-70.6	-143.4	3.1	111.7	M528 F547 S551 D552 L553	M528-R549 HydrophobicContact CG-CG 4.41Å; M528-R549 HydrophobicContact SD-CG 4.35Å; M528-R549 PolarHBondContact SD-NH1 3.06Å; F547-R549 VanDerWaalsContact C-N 3.32Å; R549-S551 VanDerWaalsContact C-N 3.28Å; R549-S551 PolarHBondContact O-N 3.16Å; R549-D552 HydrophobicContact CB-CB 4.44Å; R549-D552 IonicContact CZ-OD2 3.17Å; R549-D552 IonicContact NE-OD2 3.27Å; R549-D552 PolarHBondContact NE-OD2 3.09Å; R549-D552 IonicContact NH2-OD1 3.59Å; R549-D552 IonicContact NH2-OD2 3.47Å; R549-D552 PolarHBondContact NH2-OD2 3.41Å; R549-D552 PolarHBondContact O-N 3.24Å; R549-L553 PolarHBondContact O-N 3.3Å; R549-L553 VanDerWaalsContact O-N 3.17Å
550	S	73.6	Confident	74.6	Confident	69 Å²	69	68.5 Å²	68.5	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-33.3	173.7	52.7	0	0	0	0	112.9	Y539 D552 L553 H554	Y539-S550 VanDerWaalsContact CD2-N 3.26Å; S550-D552 VanDerWaalsContact C-N 3.32Å; S550-D552 PolarHBondContact O-N 3.26Å; S550-L553 PolarHBondContact O-N 2.98Å; S550-H554 WeakPolarHBondContact O-CB 3.44Å; S550-H554 PolarHBondContact O-N 3.37Å
551	S	74.4	Confident	74.9	Confident	62 Å²	62	64.9 Å²	64.9	43%	0.434	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-37.2	174.9	59.8	0	0	0	0	112.7	R549 I555	R549-S551 VanDerWaalsContact C-N 3.28Å; R549-S551 PolarHBondContact O-N 3.16Å; S551-I555 WeakPolarHBondContact O-CD1 3.5Å; S551-I555 VanDerWaalsContact O-CG1 3.26Å; S551-I555 WeakPolarHBondContact O-CG1 3.27Å; S551-I555 PolarHBondContact O-N 3.21Å; S551-I555 VanDerWaalsContact O-N 3.1Å
552	D	75.5	Confident	74.7	Confident	32 Å²	32	66.2 Å²	66.2	17%	0.171	37%	0.371	C	S	.	.	H	α-helix	trans	-75.7	-36.3	177.9	-71.2	-44.1	0	0	0	111.1	F547 R549 S550 I555 H556 R577	F547-D552 HydrophobicContact CB-CB 4.29Å; F547-D552 HydrophobicContact CD1-CB 4.03Å; F547-D552 HydrophobicContact CG-CB 4.41Å; R549-D552 HydrophobicContact CB-CB 4.44Å; R549-D552 IonicContact CZ-OD2 3.17Å; R549-D552 IonicContact NE-OD2 3.27Å; R549-D552 PolarHBondContact NE-OD2 3.09Å; R549-D552 IonicContact NH2-OD1 3.59Å; R549-D552 IonicContact NH2-OD2 3.47Å; R549-D552 PolarHBondContact NH2-OD2 3.41Å; R549-D552 PolarHBondContact O-N 3.24Å; S550-D552 VanDerWaalsContact C-N 3.32Å; S550-D552 PolarHBondContact O-N 3.26Å; D552-I555 PolarHBondContact O-N 2.88Å; D552-H556 WeakPolarHBondContact O-CB 3.38Å; D552-H556 PolarHBondContact O-N 3.43Å; D552-R577 IonicContact OD1-NH2 3.98Å; D552-R577 PolarHBondContact OD1-NH2 2.96Å
553	L	79.4	Confident	74.9	Confident	22 Å²	22	61.6 Å²	61.6	12%	0.115	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-47.6	168.3	173.9	62.7	0	0	0	111.5	K540 C541 F547 R549 S550 I555 H556 Q557	K540-L553 WeakPolarHBondContact O-CD2 3.34Å; C541-L553 HydrophobicContact CB-CD1 3.44Å; C541-L553 VanDerWaalsContact CB-CD1 3.44Å; F547-L553 HydrophobicContact CB-CB 4.35Å; F547-L553 HydrophobicContact CD2-CB 4.02Å; F547-L553 HydrophobicContact CD2-CD1 3.92Å; F547-L553 HydrophobicContact CE2-CD1 4.19Å; F547-L553 HydrophobicContact CG-CB 4.38Å; R549-L553 PolarHBondContact O-N 3.3Å; R549-L553 VanDerWaalsContact O-N 3.17Å; S550-L553 PolarHBondContact O-N 2.98Å; L553-I555 VanDerWaalsContact C-N 3.34Å; L553-I555 PolarHBondContact O-N 3.47Å; L553-H556 CarbonylContact O-C 3.59Å; L553-H556 WeakPolarHBondContact O-CA 3.37Å; L553-H556 VanDerWaalsContact O-CB 3.31Å; L553-H556 WeakPolarHBondContact O-CB 3.08Å; L553-H556 PolarHBondContact O-N 2.77Å; L553-Q557 HydrophobicContact CD1-CG 4.37Å; L553-Q557 WeakPolarHBondContact O-CG 3.21Å; L553-Q557 PolarHBondContact O-N 3.21Å
554	H	75.9	Confident	75.5	Confident	90 Å²	90	64.3 Å²	64.3	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-63.9	-37.6	-179.2	178.2	60.6	0	0	0	112.7	S550 H556 Q557 R558	S550-H554 WeakPolarHBondContact O-CB 3.44Å; S550-H554 PolarHBondContact O-N 3.37Å; H554-H556 VanDerWaalsContact C-N 3.28Å; H554-H556 PolarHBondContact O-N 3.44Å; H554-Q557 PolarHBondContact O-N 2.92Å; H554-R558 PolarHBondContact CD2-NH2 3.23Å; H554-R558 PolarHBondContact NE2-NH2 3.05Å
555	I	76.8	Confident	76	Confident	42 Å²	42	64.6 Å²	64.6	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-69.8	-29.3	172.1	-63.1	161.7	0	0	0	110.9	S551 D552 L553 R577	S551-I555 WeakPolarHBondContact O-CD1 3.5Å; S551-I555 VanDerWaalsContact O-CG1 3.26Å; S551-I555 WeakPolarHBondContact O-CG1 3.27Å; S551-I555 PolarHBondContact O-N 3.21Å; S551-I555 VanDerWaalsContact O-N 3.1Å; D552-I555 PolarHBondContact O-N 2.88Å; L553-I555 VanDerWaalsContact C-N 3.34Å; L553-I555 PolarHBondContact O-N 3.47Å; I555-R577 HydrophobicContact CD1-CG 4.28Å; I555-R577 HydrophobicContact CG2-CG 3.82Å
556	H	78.3	Confident	76.6	Confident	25 Å²	25	62.6 Å²	62.6	12%	0.116	34%	0.335	C	S	.	.	H	α-helix	trans	-72.3	-32.9	172.9	-172	59.7	0	0	0	113.5	C543 F547 D552 L553 H554 R558 V559 H560	C543-H556 PolarHBondContact SG-NE2 2.97Å; F547-H556 HydrophobicContact CE1-CB 4.11Å; F547-H556 HydrophobicContact CE2-CB 3.74Å; F547-H556 AromaticContact CE2-CD2 3.4Å; F547-H556 VanDerWaalsContact CE2-CD2 3.4Å; F547-H556 WeakPolarHBondContact CE2-CD2 3Å; F547-H556 AromaticContact CE2-CG 3.6Å; F547-H556 HydrophobicContact CZ-CB 3.5Å; F547-H556 AromaticContact CZ-CD2 3.43Å; F547-H556 VanDerWaalsContact CZ-CD2 3.43Å; F547-H556 WeakPolarHBondContact CZ-CD2 3.43Å; F547-H556 AromaticContact CZ-CG 3.25Å; F547-H556 AromaticContact CZ-ND1 3.78Å; D552-H556 WeakPolarHBondContact O-CB 3.38Å; D552-H556 PolarHBondContact O-N 3.43Å; L553-H556 CarbonylContact O-C 3.59Å; L553-H556 WeakPolarHBondContact O-CA 3.37Å; L553-H556 VanDerWaalsContact O-CB 3.31Å; L553-H556 WeakPolarHBondContact O-CB 3.08Å; L553-H556 PolarHBondContact O-N 2.77Å; H554-H556 VanDerWaalsContact C-N 3.28Å; H554-H556 PolarHBondContact O-N 3.44Å; H556-R558 PolarHBondContact O-N 3.2Å; H556-V559 WeakPolarHBondContact O-CA 3.46Å; H556-V559 WeakPolarHBondContact O-CB 3.26Å; H556-V559 VanDerWaalsContact O-CG2 3.23Å; H556-V559 WeakPolarHBondContact O-CG2 3.49Å; H556-V559 PolarHBondContact O-N 3.17Å; H556-H560 AromaticContact CD2-NE2 3.96Å; H556-H560 AromaticContact NE2-NE2 3.57Å
557	Q	77.1	Confident	76.9	Confident	77 Å²	77	68.4 Å²	68.4	36%	0.36	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-32.5	175	-74.1	169.9	-38.3	0	0	112	L553 H554 V559 H560 T561	L553-Q557 HydrophobicContact CD1-CG 4.37Å; L553-Q557 WeakPolarHBondContact O-CG 3.21Å; L553-Q557 PolarHBondContact O-N 3.21Å; H554-Q557 PolarHBondContact O-N 2.92Å; Q557-V559 PolarHBondContact O-N 3.35Å; Q557-H560 PolarHBondContact O-N 2.96Å; Q557-T561 PolarHBondContact O-N 3.39Å; Q557-T561 VanDerWaalsContact O-N 3.14Å
558	R	81.1	Confident	77.2	Confident	35 Å²	35	66.4 Å²	66.4	13%	0.132	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-5.8	170.3	-54.1	176.8	-169.9	179.7	-4	114.2	H554 H556 E563 R576	H554-R558 PolarHBondContact CD2-NH2 3.23Å; H554-R558 PolarHBondContact NE2-NH2 3.05Å; H556-R558 PolarHBondContact O-N 3.2Å; R558-E563 HydrophobicContact CB-CB 4.1Å; R558-E563 HydrophobicContact CG-CB 4.16Å; R558-R576 HydrophobicContact CB-CG 4.22Å; R558-R576 PolarHBondContact NH1-O 2.81Å; R558-R576 PolarHBondContact O-NE 3.45Å; R558-R576 PolarHBondContact O-NH2 2.92Å
559	V	75.3	Confident	77.7	Confident	60 Å²	60	70.1 Å²	70.1	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-75.3	-39.6	166.8	-175.4	0	0	0	0	110.7	H556 Q557	H556-V559 WeakPolarHBondContact O-CA 3.46Å; H556-V559 WeakPolarHBondContact O-CB 3.26Å; H556-V559 VanDerWaalsContact O-CG2 3.23Å; H556-V559 WeakPolarHBondContact O-CG2 3.49Å; H556-V559 PolarHBondContact O-N 3.17Å; Q557-V559 PolarHBondContact O-N 3.35Å
560	H	73.4	Confident	77.9	Confident	101 Å²	101	70.3 Å²	70.3	47%	0.468	38%	0.375	S	S	.	.	H	α-helix	trans	-81.5	-46.2	-178.5	-57.1	-59.5	0	0	0	112.2	C543 H556 Q557 G562	C543-H560 VanDerWaalsContact CB-CE1 3.43Å; C543-H560 WeakPolarHBondContact CB-CE1 3.34Å; C543-H560 VanDerWaalsContact SG-CE1 3.53Å; C543-H560 PolarHBondContact SG-NE2 3.05Å; H556-H560 AromaticContact CD2-NE2 3.96Å; H556-H560 AromaticContact NE2-NE2 3.57Å; Q557-H560 PolarHBondContact O-N 2.96Å; H560-G562 PolarHBondContact O-N 2.77Å; H560-G562 VanDerWaalsContact O-N 3.16Å
561	T	74.4	Confident	78.1	Confident	85 Å²	85	69.1 Å²	69.1	52%	0.521	37%	0.366	S	S	.	.	S	Bend	trans	-72.8	-3.7	176.7	65.9	0	0	0	0	113.6	Q557 E563	Q557-T561 PolarHBondContact O-N 3.39Å; Q557-T561 VanDerWaalsContact O-N 3.14Å; T561-E563 WeakPolarHBondContact CB-OE1 3.49Å; T561-E563 PolarHBondContact O-N 3.47Å; T561-E563 WeakPolarHBondContact OG1-CB 3.41Å; T561-E563 VanDerWaalsContact OG1-CG 3.3Å; T561-E563 WeakPolarHBondContact OG1-CG 3.34Å; T561-E563 PolarHBondContact OG1-OE1 2.91Å
562	G	74.9	Confident	78.2	Confident	41 Å²	41	68.7 Å²	68.7	42%	0.423	37%	0.372	S	S	.	.			trans	68.5	-7.3	-175.8	0	0	0	0	0	115.1	H560 K564	H560-G562 PolarHBondContact O-N 2.77Å; H560-G562 VanDerWaalsContact O-N 3.16Å; G562-K564 PolarHBondContact O-N 2.69Å
563	E	76.8	Confident	78.5	Confident	92 Å²	92	72.5 Å²	72.5	43%	0.43	39%	0.387	S	S	.	.			trans	-50.7	132.4	-171.5	-84.3	169	-130.9	0	0	114.1	R558 T561 R576	R558-E563 HydrophobicContact CB-CB 4.1Å; R558-E563 HydrophobicContact CG-CB 4.16Å; T561-E563 WeakPolarHBondContact CB-OE1 3.49Å; T561-E563 PolarHBondContact O-N 3.47Å; T561-E563 WeakPolarHBondContact OG1-CB 3.41Å; T561-E563 VanDerWaalsContact OG1-CG 3.3Å; T561-E563 WeakPolarHBondContact OG1-CG 3.34Å; T561-E563 PolarHBondContact OG1-OE1 2.91Å; E563-R576 WeakPolarHBondContact O-CG 3.32Å
564	K	81.2	Confident	78.5	Confident	111 Å²	111	72.3 Å²	72.3	48%	0.483	39%	0.391	S	S	.	.			trans	-133.3	75.4	175.8	-75.5	164	168.3	-178.1	0	109.5	G562 Y566 G574 F575	G562-K564 PolarHBondContact O-N 2.69Å; K564-Y566 PolarHBondContact O-N 2.75Å; K564-G574 WeakPolarHBondContact CD-O 3.22Å; K564-G574 WeakPolarHBondContact CE-O 3.3Å; K564-G574 WeakPolarHBondContact CG-O 3.45Å; K564-F575 CarbonylContact C-O 3.52Å; K564-F575 WeakPolarHBondContact CA-O 3.32Å
565	P	80.9	Confident	78.9	Confident	69 Å²	69	70.2 Å²	70.2	45%	0.448	38%	0.38	S	S	.	.			trans	-64.4	-24.9	-172.9	-22.6	35	0	0	0	113.7
566	Y	83.3	Confident	78.9	Confident	80 Å²	80	72 Å²	72	31%	0.314	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	92.2	-175.5	-53.6	-77.9	0	0	0	109.4	K564 F575 N578	K564-Y566 PolarHBondContact O-N 2.75Å; Y566-F575 PolarHBondContact N-O 3.34Å; Y566-F575 PolarHBondContact O-N 3.21Å; Y566-N578 HydrophobicContact CD1-CB 3.74Å; Y566-N578 WeakPolarHBondContact CD1-OD1 3.44Å; Y566-N578 HydrophobicContact CE1-CB 3.66Å; Y566-N578 HydrophobicContact CG-CB 4.24Å
567	K	79.4	Confident	78.9	Confident	160 Å²	160	75.6 Å²	75.6	70%	0.696	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.1	177.3	-64.4	179.4	-178.3	177.3	0	110.8
568	C	85.5	Confident	78.8	Confident	4 Å²	4	75 Å²	75	3%	0.027	40%	0.396	C	S	.	.			trans	-74.5	130.3	166.7	178.8	0	0	0	0	109.9	C571 G572 K573 F575 L581 H588	C568-C571 VanDerWaalsContact SG-SG 3.6Å; C568-G572 VanDerWaalsContact O-CA 3.25Å; C568-G572 WeakPolarHBondContact O-CA 3.41Å; C568-G572 PolarHBondContact O-N 3.09Å; C568-K573 PolarHBondContact N-O 3.39Å; C568-F575 HydrophobicContact CB-CE2 4.48Å; C568-L581 HydrophobicContact CB-CD1 3.69Å; C568-H588 PolarHBondContact SG-NE2 3Å
569	S	79.9	Confident	78.6	Confident	104 Å²	104	76.3 Å²	76.3	73%	0.727	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.8	177.2	37.7	0	0	0	0	113.3
570	E	77.6	Confident	78.7	Confident	115 Å²	115	76.1 Å²	76.1	54%	0.537	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-31.9	-168	-65.8	157.6	-94.5	0	0	113.4	H588	E570-H588 IonicContact OE1-CD2 3.28Å; E570-H588 WeakPolarHBondContact OE2-CB 3.35Å; E570-H588 IonicContact OE2-CD2 3.25Å; E570-H588 IonicContact OE2-CG 3.78Å
571	C	78.9	Confident	79.2	Confident	44 Å²	44	72 Å²	72	30%	0.297	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	7.4	-176.4	74.6	0	0	0	0	114.3	C568 K573 H584 H588	C568-C571 VanDerWaalsContact SG-SG 3.6Å; C571-K573 PolarHBondContact O-N 3.1Å; C571-K573 VanDerWaalsContact SG-CD 3.57Å; C571-K573 VanDerWaalsContact SG-CG 3.52Å; C571-H584 PolarHBondContact SG-NE2 3Å; C571-H588 WeakPolarHBondContact CB-CE1 3.38Å; C571-H588 WeakPolarHBondContact CB-NE2 3.35Å; C571-H588 PolarHBondContact SG-CE1 3.16Å; C571-H588 PolarHBondContact SG-NE2 3.39Å
572	G	77.3	Confident	79.3	Confident	53 Å²	53	73 Å²	73	55%	0.546	39%	0.388	S	S	.	.			trans	66.5	-7.2	179.5	0	0	0	0	0	116.4	C568 G574	C568-G572 VanDerWaalsContact O-CA 3.25Å; C568-G572 WeakPolarHBondContact O-CA 3.41Å; C568-G572 PolarHBondContact O-N 3.09Å; G572-G574 PolarHBondContact O-N 3.49Å
573	K	79.9	Confident	79.4	Confident	112 Å²	112	72.5 Å²	72.5	49%	0.487	38%	0.378	S	S	.	.			trans	-60.7	125.3	-176	-69	173.5	-167.9	163.1	0	110.6	C568 C571 F575	C568-K573 PolarHBondContact N-O 3.39Å; C571-K573 PolarHBondContact O-N 3.1Å; C571-K573 VanDerWaalsContact SG-CD 3.57Å; C571-K573 VanDerWaalsContact SG-CG 3.52Å; K573-F575 HydrophobicContact CB-CE2 3.78Å; K573-F575 HydrophobicContact CB-CZ 4.09Å; K573-F575 WeakPolarHBondContact O-CD2 3.47Å; K573-F575 WeakPolarHBondContact O-CE2 3.49Å
574	G	81.4	Confident	79.6	Confident	19 Å²	19	69 Å²	69	20%	0.196	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.9	-179.4	0	0	0	0	0	113.8	K564 G572	K564-G574 WeakPolarHBondContact CD-O 3.22Å; K564-G574 WeakPolarHBondContact CE-O 3.3Å; K564-G574 WeakPolarHBondContact CG-O 3.45Å; G572-G574 PolarHBondContact O-N 3.49Å
575	F	82.7	Confident	79.5	Confident	45 Å²	45	66.2 Å²	66.2	20%	0.197	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.8	-176	-62.1	-92.5	0	0	0	112	K564 Y566 C568 K573 D580 L581 H584	K564-F575 CarbonylContact C-O 3.52Å; K564-F575 WeakPolarHBondContact CA-O 3.32Å; Y566-F575 PolarHBondContact N-O 3.34Å; Y566-F575 PolarHBondContact O-N 3.21Å; C568-F575 HydrophobicContact CB-CE2 4.48Å; K573-F575 HydrophobicContact CB-CE2 3.78Å; K573-F575 HydrophobicContact CB-CZ 4.09Å; K573-F575 WeakPolarHBondContact O-CD2 3.47Å; K573-F575 WeakPolarHBondContact O-CE2 3.49Å; F575-D580 HydrophobicContact CB-CB 4.31Å; F575-D580 HydrophobicContact CD1-CB 3.88Å; F575-D580 HydrophobicContact CG-CB 4.43Å; F575-L581 HydrophobicContact CB-CB 4.29Å; F575-L581 HydrophobicContact CD2-CB 4.11Å; F575-L581 HydrophobicContact CD2-CD1 3.97Å; F575-L581 HydrophobicContact CE2-CD1 4.23Å; F575-L581 HydrophobicContact CG-CB 4.29Å; F575-H584 HydrophobicContact CE1-CB 3.95Å; F575-H584 HydrophobicContact CE2-CB 4.05Å; F575-H584 AromaticContact CE2-CD2 3.35Å; F575-H584 WeakPolarHBondContact CE2-CD2 3.47Å; F575-H584 AromaticContact CE2-CG 3.9Å; F575-H584 HydrophobicContact CZ-CB 3.51Å; F575-H584 AromaticContact CZ-CD2 3.26Å; F575-H584 WeakPolarHBondContact CZ-CD2 3.32Å; F575-H584 AromaticContact CZ-CG 3.39Å
576	R	77.6	Confident	79.6	Confident	80 Å²	80	66.1 Å²	66.1	30%	0.302	34%	0.34	S	S	.	.	S	Bend	trans	-85.8	-21.5	-178.5	-71.6	178.9	175.8	128	2.4	113.7	R558 E563	R558-R576 HydrophobicContact CB-CG 4.22Å; R558-R576 PolarHBondContact NH1-O 2.81Å; R558-R576 PolarHBondContact O-NE 3.45Å; R558-R576 PolarHBondContact O-NH2 2.92Å; E563-R576 WeakPolarHBondContact O-CG 3.32Å
577	R	77.4	Confident	79.4	Confident	101 Å²	101	64.2 Å²	64.2	38%	0.381	34%	0.337	S	S	.	.	S	Bend	trans	-131.4	150.7	177.4	-54.5	170.8	161.3	161.8	-5.7	110.6	D552 I555 S579 D580 L581	D552-R577 IonicContact OD1-NH2 3.98Å; D552-R577 PolarHBondContact OD1-NH2 2.96Å; I555-R577 HydrophobicContact CD1-CG 4.28Å; I555-R577 HydrophobicContact CG2-CG 3.82Å; R577-S579 VanDerWaalsContact C-N 3.33Å; R577-S579 WeakPolarHBondContact CB-OG 3.34Å; R577-S579 PolarHBondContact O-N 3.34Å; R577-D580 WeakPolarHBondContact CB-OD2 3.37Å; R577-D580 PolarHBondContact O-N 2.9Å; R577-L581 PolarHBondContact O-N 3.46Å
578	N	76.4	Confident	79.2	Confident	64 Å²	64	59.8 Å²	59.8	34%	0.342	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-29.4	176.3	-162.1	64	0	0	0	113.2	Y566 D580 L581 H582	Y566-N578 HydrophobicContact CD1-CB 3.74Å; Y566-N578 WeakPolarHBondContact CD1-OD1 3.44Å; Y566-N578 HydrophobicContact CE1-CB 3.66Å; Y566-N578 HydrophobicContact CG-CB 4.24Å; N578-D580 PolarHBondContact O-N 3.49Å; N578-L581 PolarHBondContact O-N 3.39Å; N578-H582 PolarHBondContact ND2-CD2 2.91Å; N578-H582 PolarHBondContact ND2-NE2 3.22Å; N578-H582 PolarHBondContact O-N 2.81Å
579	S	76.1	Confident	78.9	Confident	63 Å²	63	63.4 Å²	63.4	44%	0.441	34%	0.341	S	S	.	.	H	α-helix	trans	-55.6	-40.6	172.1	45.8	0	0	0	0	112.4	R577 S583	R577-S579 VanDerWaalsContact C-N 3.33Å; R577-S579 WeakPolarHBondContact CB-OG 3.34Å; R577-S579 PolarHBondContact O-N 3.34Å; S579-S583 WeakPolarHBondContact O-CB 3.27Å; S579-S583 PolarHBondContact O-N 2.89Å; S579-S583 PolarHBondContact O-OG 3.48Å
580	D	77.7	Confident	78.8	Confident	56 Å²	56	60.7 Å²	60.7	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-79.1	-34.6	-172.3	-45.1	-6.3	0	0	0	109.4	F575 R577 N578 H584	F575-D580 HydrophobicContact CB-CB 4.31Å; F575-D580 HydrophobicContact CD1-CB 3.88Å; F575-D580 HydrophobicContact CG-CB 4.43Å; R577-D580 WeakPolarHBondContact CB-OD2 3.37Å; R577-D580 PolarHBondContact O-N 2.9Å; N578-D580 PolarHBondContact O-N 3.49Å; D580-H584 WeakPolarHBondContact O-CB 3.4Å; D580-H584 PolarHBondContact O-N 3.09Å
581	L	83	Confident	78.8	Confident	15 Å²	15	60 Å²	60	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-52.2	169	173.6	59.5	0	0	0	111.8	C568 F575 R577 N578 S583 H584 Q585	C568-L581 HydrophobicContact CB-CD1 3.69Å; F575-L581 HydrophobicContact CB-CB 4.29Å; F575-L581 HydrophobicContact CD2-CB 4.11Å; F575-L581 HydrophobicContact CD2-CD1 3.97Å; F575-L581 HydrophobicContact CE2-CD1 4.23Å; F575-L581 HydrophobicContact CG-CB 4.29Å; R577-L581 PolarHBondContact O-N 3.46Å; N578-L581 PolarHBondContact O-N 3.39Å; L581-S583 VanDerWaalsContact C-N 3.28Å; L581-S583 PolarHBondContact O-N 2.9Å; L581-H584 CarbonylContact O-C 3.44Å; L581-H584 WeakPolarHBondContact O-CA 3.21Å; L581-H584 WeakPolarHBondContact O-CB 3.26Å; L581-H584 PolarHBondContact O-N 3.05Å; L581-Q585 HydrophobicContact CD1-CG 4.18Å; L581-Q585 WeakPolarHBondContact O-CG 3.43Å; L581-Q585 PolarHBondContact O-N 2.9Å
582	H	77.9	Confident	79	Confident	106 Å²	106	64.8 Å²	64.8	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-60.8	-37.3	178.2	-78	-41	0	0	0	112.5	N578 H584 Q585	N578-H582 PolarHBondContact ND2-CD2 2.91Å; N578-H582 PolarHBondContact ND2-NE2 3.22Å; N578-H582 PolarHBondContact O-N 2.81Å; H582-H584 VanDerWaalsContact C-N 3.28Å; H582-H584 PolarHBondContact O-N 3.23Å; H582-Q585 PolarHBondContact ND1-OE1 2.86Å; H582-Q585 PolarHBondContact O-N 3.14Å
583	S	76.5	Confident	79.2	Confident	30 Å²	30	65.5 Å²	65.5	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-28.4	174.5	-53.4	0	0	0	0	112.6	S579 L581 Y605	S579-S583 WeakPolarHBondContact O-CB 3.27Å; S579-S583 PolarHBondContact O-N 2.89Å; S579-S583 PolarHBondContact O-OG 3.48Å; L581-S583 VanDerWaalsContact C-N 3.28Å; L581-S583 PolarHBondContact O-N 2.9Å; S583-Y605 WeakPolarHBondContact CB-OH 3.22Å
584	H	81	Confident	79.5	Confident	17 Å²	17	64 Å²	64	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-77.3	-35.4	172.8	176	41.7	0	0	0	113.3	C571 F575 D580 L581 H582 R586 V587 H588	C571-H584 PolarHBondContact SG-NE2 3Å; F575-H584 HydrophobicContact CE1-CB 3.95Å; F575-H584 HydrophobicContact CE2-CB 4.05Å; F575-H584 AromaticContact CE2-CD2 3.35Å; F575-H584 WeakPolarHBondContact CE2-CD2 3.47Å; F575-H584 AromaticContact CE2-CG 3.9Å; F575-H584 HydrophobicContact CZ-CB 3.51Å; F575-H584 AromaticContact CZ-CD2 3.26Å; F575-H584 WeakPolarHBondContact CZ-CD2 3.32Å; F575-H584 AromaticContact CZ-CG 3.39Å; D580-H584 WeakPolarHBondContact O-CB 3.4Å; D580-H584 PolarHBondContact O-N 3.09Å; L581-H584 CarbonylContact O-C 3.44Å; L581-H584 WeakPolarHBondContact O-CA 3.21Å; L581-H584 WeakPolarHBondContact O-CB 3.26Å; L581-H584 PolarHBondContact O-N 3.05Å; H582-H584 VanDerWaalsContact C-N 3.28Å; H582-H584 PolarHBondContact O-N 3.23Å; H584-R586 PolarHBondContact O-N 3.45Å; H584-R586 VanDerWaalsContact O-N 3.15Å; H584-V587 VanDerWaalsContact O-CB 3.24Å; H584-V587 WeakPolarHBondContact O-CB 3.38Å; H584-V587 WeakPolarHBondContact O-CG2 3.38Å; H584-V587 PolarHBondContact O-N 2.88Å; H584-H588 AromaticContact CD2-NE2 3.48Å; H584-H588 PolarHBondContact CD2-NE2 3.3Å; H584-H588 AromaticContact CE1-CE1 3.72Å; H584-H588 AromaticContact CE1-NE2 3.43Å; H584-H588 PolarHBondContact CE1-NE2 2.8Å; H584-H588 AromaticContact NE2-CE1 3.75Å; H584-H588 AromaticContact NE2-NE2 2.74Å; H584-H588 PolarHBondContact NE2-NE2 3.39Å
585	Q	79.4	Confident	79.6	Confident	54 Å²	54	66.7 Å²	66.7	25%	0.252	34%	0.337	S	S	.	.	H	α-helix	trans	-56.9	-31.2	178.7	-74.9	176.2	-63.2	0	0	112.5	L581 H582 V587 H588 T589	L581-Q585 HydrophobicContact CD1-CG 4.18Å; L581-Q585 WeakPolarHBondContact O-CG 3.43Å; L581-Q585 PolarHBondContact O-N 2.9Å; H582-Q585 PolarHBondContact ND1-OE1 2.86Å; H582-Q585 PolarHBondContact O-N 3.14Å; Q585-V587 PolarHBondContact O-N 2.78Å; Q585-V587 VanDerWaalsContact O-N 3.15Å; Q585-H588 PolarHBondContact O-N 2.98Å; Q585-T589 PolarHBondContact O-N 3.37Å
586	R	83.1	Confident	79.9	Confident	66 Å²	66	64.6 Å²	64.6	25%	0.249	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-20	171.3	-67.5	-177.5	174.3	171.5	1.8	115.4	H584 G590 E591 I604	H584-R586 PolarHBondContact O-N 3.45Å; H584-R586 VanDerWaalsContact O-N 3.15Å; R586-G590 PolarHBondContact O-N 3.16Å; R586-E591 HydrophobicContact CB-CB 4.15Å; R586-E591 HydrophobicContact CG-CB 3.96Å; R586-E591 IonicContact NE-OE2 3.89Å; R586-E591 PolarHBondContact O-N 3.23Å; R586-I604 HydrophobicContact CB-CD1 4.48Å; R586-I604 HydrophobicContact CB-CG1 4.33Å; R586-I604 HydrophobicContact CB-CG2 3.81Å; R586-I604 PolarHBondContact NH1-O 3.02Å; R586-I604 VanDerWaalsContact NH1-O 3.11Å
587	V	79.4	Confident	80.2	Confident	41 Å²	41	67.6 Å²	67.6	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-69.2	-39.6	172	-177.8	0	0	0	0	110.1	H584 Q585 I604	H584-V587 VanDerWaalsContact O-CB 3.24Å; H584-V587 WeakPolarHBondContact O-CB 3.38Å; H584-V587 WeakPolarHBondContact O-CG2 3.38Å; H584-V587 PolarHBondContact O-N 2.88Å; Q585-V587 PolarHBondContact O-N 2.78Å; Q585-V587 VanDerWaalsContact O-N 3.15Å; V587-I604 HydrophobicContact CB-CD1 4.44Å; V587-I604 HydrophobicContact CG2-CD1 3.71Å
588	H	75.5	Confident	80.5	Confident	66 Å²	66	67.9 Å²	67.9	31%	0.306	36%	0.363	S	S	.	.	H	α-helix	trans	-83.1	-40.8	-178.3	-51.3	-51.6	0	0	0	112.5	C568 E570 C571 H584 Q585 G590	C568-H588 PolarHBondContact SG-NE2 3Å; E570-H588 IonicContact OE1-CD2 3.28Å; E570-H588 WeakPolarHBondContact OE2-CB 3.35Å; E570-H588 IonicContact OE2-CD2 3.25Å; E570-H588 IonicContact OE2-CG 3.78Å; C571-H588 WeakPolarHBondContact CB-CE1 3.38Å; C571-H588 WeakPolarHBondContact CB-NE2 3.35Å; C571-H588 PolarHBondContact SG-CE1 3.16Å; C571-H588 PolarHBondContact SG-NE2 3.39Å; H584-H588 AromaticContact CD2-NE2 3.48Å; H584-H588 PolarHBondContact CD2-NE2 3.3Å; H584-H588 AromaticContact CE1-CE1 3.72Å; H584-H588 AromaticContact CE1-NE2 3.43Å; H584-H588 PolarHBondContact CE1-NE2 2.8Å; H584-H588 AromaticContact NE2-CE1 3.75Å; H584-H588 AromaticContact NE2-NE2 2.74Å; H584-H588 PolarHBondContact NE2-NE2 3.39Å; Q585-H588 PolarHBondContact O-N 2.98Å; H588-G590 PolarHBondContact O-N 3Å
589	T	77.6	Confident	80.8	Confident	80 Å²	80	67.2 Å²	67.2	49%	0.491	36%	0.362	S	S	.	.	S	Bend	trans	-73.5	-6.3	176.6	64.5	0	0	0	0	113.5	Q585 E591	Q585-T589 PolarHBondContact O-N 3.37Å; T589-E591 PolarHBondContact O-N 3.37Å; T589-E591 VanDerWaalsContact O-N 3.11Å; T589-E591 WeakPolarHBondContact OG1-CB 3.37Å; T589-E591 WeakPolarHBondContact OG1-CG 3.38Å; T589-E591 PolarHBondContact OG1-OE1 3.06Å
590	G	77.7	Confident	81	Confident	47 Å²	47	67 Å²	67	49%	0.485	37%	0.37	S	S	.	.			trans	66.8	3.8	-174	0	0	0	0	0	114.3	R586 H588 R592	R586-G590 PolarHBondContact O-N 3.16Å; H588-G590 PolarHBondContact O-N 3Å; G590-R592 WeakPolarHBondContact O-CG 3.38Å; G590-R592 PolarHBondContact O-N 3.36Å
591	E	77.9	Confident	81.2	Confident	101 Å²	101	70.1 Å²	70.1	47%	0.472	38%	0.381	S	S	.	.			trans	-59.5	118.1	-179.1	-87.7	178.3	-137	0	0	111.7	R586 T589 P593	R586-E591 HydrophobicContact CB-CB 4.15Å; R586-E591 HydrophobicContact CG-CB 3.96Å; R586-E591 IonicContact NE-OE2 3.89Å; R586-E591 PolarHBondContact O-N 3.23Å; T589-E591 PolarHBondContact O-N 3.37Å; T589-E591 VanDerWaalsContact O-N 3.11Å; T589-E591 WeakPolarHBondContact OG1-CB 3.37Å; T589-E591 WeakPolarHBondContact OG1-CG 3.38Å; T589-E591 PolarHBondContact OG1-OE1 3.06Å; E591-P593 WeakPolarHBondContact O-CD 3.49Å
592	R	83.1	Confident	81.2	Confident	145 Å²	145	69.9 Å²	69.9	55%	0.547	38%	0.382	S	S	.	.			trans	-127.9	69.8	-179.6	-68.8	163.1	90.9	134.9	7.5	110.1	G590 Y594 G602 F603 I604	G590-R592 WeakPolarHBondContact O-CG 3.38Å; G590-R592 PolarHBondContact O-N 3.36Å; R592-Y594 PolarHBondContact O-N 2.94Å; R592-G602 PolarHBondContact NE-O 3.32Å; R592-G602 PolarHBondContact NH2-O 3.38Å; R592-F603 CarbonylContact C-O 3.48Å; R592-F603 WeakPolarHBondContact CA-O 3.48Å; R592-I604 HydrophobicContact CG-CG1 4.21Å
593	P	82.6	Confident	81.4	Confident	68 Å²	68	66.7 Å²	66.7	44%	0.442	37%	0.367	S	S	.	.			trans	-67	-9.1	-166.1	-20.8	34.9	0	0	0	115.2	E591	E591-P593 WeakPolarHBondContact O-CD 3.49Å
594	Y	86.1	Confident	81.5	Confident	81 Å²	81	66.3 Å²	66.3	32%	0.318	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	86.5	-179.4	-53.5	-70.2	0	0	0	108.9	R592 G602 F603 I604 S606	R592-Y594 PolarHBondContact O-N 2.94Å; Y594-G602 CarbonylContact O-C 3.39Å; Y594-F603 PolarHBondContact N-O 3.37Å; Y594-F603 PolarHBondContact O-N 2.97Å; Y594-I604 WeakPolarHBondContact CE2-O 3.44Å; Y594-S606 VanDerWaalsContact CD2-N 3.25Å
595	V	83.9	Confident	81.3	Confident	75 Å²	75	70.1 Å²	70.1	46%	0.455	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.8	179.2	-176.4	0	0	0	0	110.5	L609	V595-L609 WeakPolarHBondContact O-CD2 3.45Å
596	C	88.3	Confident	81.2	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.388	C	S	.	.			trans	-93.8	113.5	173.2	-172	0	0	0	0	111.1	V598 C599 G600 K601 F603 L609 H616	C596-V598 PolarHBondContact O-N 3.42Å; C596-V598 VanDerWaalsContact O-N 3.12Å; C596-C599 PolarHBondContact O-N 3.02Å; C596-C599 VanDerWaalsContact O-N 3.1Å; C596-G600 WeakPolarHBondContact O-CA 3.43Å; C596-G600 PolarHBondContact O-N 2.97Å; C596-K601 WeakPolarHBondContact CB-O 3.23Å; C596-K601 PolarHBondContact N-O 3.09Å; C596-F603 HydrophobicContact CB-CE2 4.38Å; C596-L609 HydrophobicContact CB-CD1 3.47Å; C596-L609 VanDerWaalsContact CB-CD1 3.47Å; C596-H616 VanDerWaalsContact SG-CD2 3.58Å; C596-H616 PolarHBondContact SG-NE2 2.98Å; C596-H616 VanDerWaalsContact SG-NE2 3.41Å
597	D	84.4	Confident	80.9	Confident	144 Å²	144	70.4 Å²	70.4	77%	0.77	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	-173.7	-38.1	-77.6	0	0	0	113.1
598	V	82.9	Confident	80.9	Confident	106 Å²	106	71.7 Å²	71.7	64%	0.642	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.3	-178.1	-176.5	0	0	0	0	113.1	C596 H616	C596-V598 PolarHBondContact O-N 3.42Å; C596-V598 VanDerWaalsContact O-N 3.12Å; V598-H616 HydrophobicContact CG1-CB 4.15Å
599	C	82.7	Confident	81.3	Confident	50 Å²	50	69.7 Å²	69.7	34%	0.338	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.6	8.5	-172	72.1	0	0	0	0	116.1	C596 K601 H612 H616	C596-C599 PolarHBondContact O-N 3.02Å; C596-C599 VanDerWaalsContact O-N 3.1Å; C599-K601 PolarHBondContact O-N 3.31Å; C599-H612 PolarHBondContact SG-NE2 2.81Å; C599-H616 PolarHBondContact SG-NE2 2.98Å; C599-H616 VanDerWaalsContact SG-NE2 3.35Å
600	G	81.3	Confident	81.3	Confident	58 Å²	58	70.6 Å²	70.6	60%	0.598	39%	0.393	S	S	*	.			trans	67	1.1	179.7	0	0	0	0	0	115.8	C596 G602	C596-G600 WeakPolarHBondContact O-CA 3.43Å; C596-G600 PolarHBondContact O-N 2.97Å; G600-G602 PolarHBondContact O-N 3.17Å
601	K	81.4	Confident	81.3	Confident	123 Å²	123	70 Å²	70	54%	0.535	38%	0.379	S	S	.	.			trans	-75.6	118	-175	-69.2	-178.5	-177.6	178	0	111.4	C596 C599 F603	C596-K601 WeakPolarHBondContact CB-O 3.23Å; C596-K601 PolarHBondContact N-O 3.09Å; C599-K601 PolarHBondContact O-N 3.31Å; K601-F603 HydrophobicContact CB-CE2 3.93Å; K601-F603 HydrophobicContact CB-CZ 4.21Å; K601-F603 WeakPolarHBondContact O-CD2 3.3Å; K601-F603 WeakPolarHBondContact O-CE2 3.48Å
602	G	82.6	Confident	81.5	Confident	10 Å²	10	66.6 Å²	66.6	10%	0.103	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	145.8	173.7	0	0	0	0	0	113.9	R592 Y594 G600	R592-G602 PolarHBondContact NE-O 3.32Å; R592-G602 PolarHBondContact NH2-O 3.38Å; Y594-G602 CarbonylContact O-C 3.39Å; G600-G602 PolarHBondContact O-N 3.17Å
603	F	82.4	Confident	81.4	Confident	39 Å²	39	62.8 Å²	62.8	17%	0.171	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.8	175	-62.3	-89.2	0	0	0	111.5	R592 Y594 C596 K601 D608 L609 H612	R592-F603 CarbonylContact C-O 3.48Å; R592-F603 WeakPolarHBondContact CA-O 3.48Å; Y594-F603 PolarHBondContact N-O 3.37Å; Y594-F603 PolarHBondContact O-N 2.97Å; C596-F603 HydrophobicContact CB-CE2 4.38Å; K601-F603 HydrophobicContact CB-CE2 3.93Å; K601-F603 HydrophobicContact CB-CZ 4.21Å; K601-F603 WeakPolarHBondContact O-CD2 3.3Å; K601-F603 WeakPolarHBondContact O-CE2 3.48Å; F603-D608 HydrophobicContact CB-CB 4.22Å; F603-D608 HydrophobicContact CD1-CB 3.79Å; F603-D608 HydrophobicContact CG-CB 4.27Å; F603-L609 HydrophobicContact CB-CB 4.31Å; F603-L609 HydrophobicContact CD2-CB 3.99Å; F603-L609 HydrophobicContact CD2-CD1 4.11Å; F603-L609 HydrophobicContact CE2-CD1 4.38Å; F603-L609 HydrophobicContact CG-CB 4.31Å; F603-H612 HydrophobicContact CE1-CB 4.03Å; F603-H612 HydrophobicContact CE2-CB 3.81Å; F603-H612 AromaticContact CE2-CD2 3.39Å; F603-H612 WeakPolarHBondContact CE2-CD2 3.26Å; F603-H612 AromaticContact CE2-CG 3.69Å; F603-H612 HydrophobicContact CZ-CB 3.46Å; F603-H612 VanDerWaalsContact CZ-CB 3.46Å; F603-H612 AromaticContact CZ-CD2 3.4Å; F603-H612 VanDerWaalsContact CZ-CD2 3.4Å; F603-H612 WeakPolarHBondContact CZ-CD2 3.35Å; F603-H612 AromaticContact CZ-CG 3.29Å; F603-H612 AromaticContact CZ-ND1 3.96Å
604	I	78.8	Confident	81.5	Confident	22 Å²	22	61.5 Å²	61.5	11%	0.113	34%	0.337	C	S	.	.	S	Bend	trans	-76.6	-28.4	179	-66.5	175.1	0	0	0	111.5	R586 V587 R592 Y594	R586-I604 HydrophobicContact CB-CD1 4.48Å; R586-I604 HydrophobicContact CB-CG1 4.33Å; R586-I604 HydrophobicContact CB-CG2 3.81Å; R586-I604 PolarHBondContact NH1-O 3.02Å; R586-I604 VanDerWaalsContact NH1-O 3.11Å; V587-I604 HydrophobicContact CB-CD1 4.44Å; V587-I604 HydrophobicContact CG2-CD1 3.71Å; R592-I604 HydrophobicContact CG-CG1 4.21Å; Y594-I604 WeakPolarHBondContact CE2-O 3.44Å
605	Y	76.7	Confident	81.2	Confident	97 Å²	97	62.6 Å²	62.6	38%	0.38	35%	0.352	S	S	.	.	S	Bend	trans	-124.4	142.5	-179	-55.2	-84.4	0	0	0	111.6	S583 S607 D608 L609	S583-Y605 WeakPolarHBondContact CB-OH 3.22Å; Y605-S607 VanDerWaalsContact C-N 3.29Å; Y605-S607 WeakPolarHBondContact CB-OG 3.47Å; Y605-S607 PolarHBondContact O-N 3.18Å; Y605-D608 WeakPolarHBondContact CD2-OD2 3.4Å; Y605-D608 PolarHBondContact O-N 2.85Å; Y605-D608 VanDerWaalsContact O-N 3.15Å; Y605-L609 PolarHBondContact O-N 2.86Å
606	S	77.4	Confident	81	Confident	69 Å²	69	62.6 Å²	62.6	48%	0.483	35%	0.347	S	S	.	.	H	α-helix	trans	-68.1	-26.8	177.8	52.1	0	0	0	0	113.4	Y594 D608 L610	Y594-S606 VanDerWaalsContact CD2-N 3.25Å; S606-D608 PolarHBondContact O-N 3.25Å; S606-L610 WeakPolarHBondContact O-CB 3.17Å; S606-L610 PolarHBondContact O-N 3.13Å
607	S	75.8	Confident	80.5	Confident	57 Å²	57	66.8 Å²	66.8	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-56.6	-39.5	170.1	48.7	0	0	0	0	112.1	Y605 L610 I611	Y605-S607 VanDerWaalsContact C-N 3.29Å; Y605-S607 WeakPolarHBondContact CB-OG 3.47Å; Y605-S607 PolarHBondContact O-N 3.18Å; S607-L610 PolarHBondContact O-N 3.17Å; S607-I611 WeakPolarHBondContact O-CD1 3.48Å; S607-I611 VanDerWaalsContact O-CG1 3.23Å; S607-I611 WeakPolarHBondContact O-CG1 3.28Å; S607-I611 PolarHBondContact O-N 2.94Å
608	D	79.9	Confident	80.2	Confident	68 Å²	68	62.1 Å²	62.1	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-81.3	-36	-169.7	-57.2	1.7	0	0	0	109.7	F603 Y605 S606 H612	F603-D608 HydrophobicContact CB-CB 4.22Å; F603-D608 HydrophobicContact CD1-CB 3.79Å; F603-D608 HydrophobicContact CG-CB 4.27Å; Y605-D608 WeakPolarHBondContact CD2-OD2 3.4Å; Y605-D608 PolarHBondContact O-N 2.85Å; Y605-D608 VanDerWaalsContact O-N 3.15Å; S606-D608 PolarHBondContact O-N 3.25Å; D608-H612 WeakPolarHBondContact O-CB 3.44Å; D608-H612 PolarHBondContact O-N 3.18Å
609	L	83.3	Confident	80	Confident	23 Å²	23	61.8 Å²	61.8	12%	0.12	35%	0.35	C	S	.	.	H	α-helix	trans	-58.8	-50.5	165.5	172.2	60.2	0	0	0	111.5	V595 C596 F603 Y605 I611 H612 Q613	V595-L609 WeakPolarHBondContact O-CD2 3.45Å; C596-L609 HydrophobicContact CB-CD1 3.47Å; C596-L609 VanDerWaalsContact CB-CD1 3.47Å; F603-L609 HydrophobicContact CB-CB 4.31Å; F603-L609 HydrophobicContact CD2-CB 3.99Å; F603-L609 HydrophobicContact CD2-CD1 4.11Å; F603-L609 HydrophobicContact CE2-CD1 4.38Å; F603-L609 HydrophobicContact CG-CB 4.31Å; Y605-L609 PolarHBondContact O-N 2.86Å; L609-I611 VanDerWaalsContact C-N 3.28Å; L609-I611 PolarHBondContact O-N 3.35Å; L609-H612 CarbonylContact O-C 3.6Å; L609-H612 WeakPolarHBondContact O-CA 3.44Å; L609-H612 WeakPolarHBondContact O-CB 3.42Å; L609-H612 PolarHBondContact O-N 2.82Å; L609-Q613 HydrophobicContact CD1-CG 4.14Å; L609-Q613 WeakPolarHBondContact O-CG 3.31Å; L609-Q613 PolarHBondContact O-N 2.82Å
610	L	79.1	Confident	80	Confident	99 Å²	99	65 Å²	65	52%	0.518	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-35.2	-178.4	-179.2	63.8	0	0	0	112.5	S606 S607	S606-L610 WeakPolarHBondContact O-CB 3.17Å; S606-L610 PolarHBondContact O-N 3.13Å; S607-L610 PolarHBondContact O-N 3.17Å
611	I	76.9	Confident	79.9	Confident	36 Å²	36	65.5 Å²	65.5	19%	0.185	35%	0.351	C	S	.	.	H	α-helix	trans	-79.4	-30.8	174.5	-57.3	159.5	0	0	0	111	S607 L609 R614 Y633	S607-I611 WeakPolarHBondContact O-CD1 3.48Å; S607-I611 VanDerWaalsContact O-CG1 3.23Å; S607-I611 WeakPolarHBondContact O-CG1 3.28Å; S607-I611 PolarHBondContact O-N 2.94Å; L609-I611 VanDerWaalsContact C-N 3.28Å; L609-I611 PolarHBondContact O-N 3.35Å; I611-R614 WeakPolarHBondContact O-CB 3.34Å; I611-R614 PolarHBondContact O-N 2.77Å; I611-Y633 HydrophobicContact CB-CE1 4.39Å; I611-Y633 HydrophobicContact CD1-CD1 4.33Å; I611-Y633 HydrophobicContact CD1-CE1 4.03Å; I611-Y633 HydrophobicContact CG2-CD1 4.01Å; I611-Y633 HydrophobicContact CG2-CD2 4.25Å; I611-Y633 HydrophobicContact CG2-CE1 3.51Å; I611-Y633 HydrophobicContact CG2-CE2 3.76Å; I611-Y633 HydrophobicContact CG2-CG 4.36Å
612	H	81.6	Confident	80.1	Confident	28 Å²	28	63.5 Å²	63.5	13%	0.13	34%	0.34	C	S	.	.	H	α-helix	trans	-66.1	-37.3	173.3	-179	53.5	0	0	0	112.8	C599 F603 D608 L609 R614 V615 H616	C599-H612 PolarHBondContact SG-NE2 2.81Å; F603-H612 HydrophobicContact CE1-CB 4.03Å; F603-H612 HydrophobicContact CE2-CB 3.81Å; F603-H612 AromaticContact CE2-CD2 3.39Å; F603-H612 WeakPolarHBondContact CE2-CD2 3.26Å; F603-H612 AromaticContact CE2-CG 3.69Å; F603-H612 HydrophobicContact CZ-CB 3.46Å; F603-H612 VanDerWaalsContact CZ-CB 3.46Å; F603-H612 AromaticContact CZ-CD2 3.4Å; F603-H612 VanDerWaalsContact CZ-CD2 3.4Å; F603-H612 WeakPolarHBondContact CZ-CD2 3.35Å; F603-H612 AromaticContact CZ-CG 3.29Å; F603-H612 AromaticContact CZ-ND1 3.96Å; D608-H612 WeakPolarHBondContact O-CB 3.44Å; D608-H612 PolarHBondContact O-N 3.18Å; L609-H612 CarbonylContact O-C 3.6Å; L609-H612 WeakPolarHBondContact O-CA 3.44Å; L609-H612 WeakPolarHBondContact O-CB 3.42Å; L609-H612 PolarHBondContact O-N 2.82Å; H612-R614 PolarHBondContact O-N 3.14Å; H612-R614 VanDerWaalsContact O-N 3.12Å; H612-V615 VanDerWaalsContact O-CB 3.22Å; H612-V615 WeakPolarHBondContact O-CB 3.43Å; H612-V615 WeakPolarHBondContact O-CG2 3.38Å; H612-V615 PolarHBondContact O-N 3.48Å; H612-H616 AromaticContact CD2-NE2 3.93Å; H612-H616 AromaticContact CE1-NE2 3.99Å; H612-H616 AromaticContact NE2-CE1 3.98Å; H612-H616 AromaticContact NE2-NE2 3.37Å; H612-H616 PolarHBondContact NE2-NE2 3.07Å
613	Q	80.6	Confident	80.1	Confident	65 Å²	65	70.3 Å²	70.3	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-55.5	-29.6	175.4	-76.4	168.5	-30	0	0	112.4	L609 V615 H616 T617	L609-Q613 HydrophobicContact CD1-CG 4.14Å; L609-Q613 WeakPolarHBondContact O-CG 3.31Å; L609-Q613 PolarHBondContact O-N 2.82Å; Q613-V615 PolarHBondContact O-N 3.22Å; Q613-H616 PolarHBondContact O-N 3.15Å; Q613-T617 PolarHBondContact O-N 3.27Å
614	R	84.8	Confident	80.4	Confident	42 Å²	42	68.6 Å²	68.6	16%	0.158	36%	0.36	C	S	.	.	H	α-helix	trans	-65.1	-15.9	173.6	-56.3	-179.2	179.1	153.4	5.5	114.5	I611 H612 H616 G618 E619 S632	I611-R614 WeakPolarHBondContact O-CB 3.34Å; I611-R614 PolarHBondContact O-N 2.77Å; H612-R614 PolarHBondContact O-N 3.14Å; H612-R614 VanDerWaalsContact O-N 3.12Å; R614-H616 VanDerWaalsContact C-N 3.34Å; R614-G618 CarbonylContact O-C 3.52Å; R614-G618 WeakPolarHBondContact O-CA 3.1Å; R614-G618 PolarHBondContact O-N 3.11Å; R614-G618 VanDerWaalsContact O-N 3.11Å; R614-E619 HydrophobicContact CB-CB 4.08Å; R614-E619 HydrophobicContact CG-CB 4.05Å; R614-E619 PolarHBondContact O-N 3.29Å; R614-S632 PolarHBondContact NH1-O 3.1Å
615	V	80.6	Confident	80.6	Confident	103 Å²	103	72.5 Å²	72.5	62%	0.624	40%	0.396	S	S	*	.	H	α-helix	trans	-73	-32	170.9	-176.7	0	0	0	0	110.6	H612 Q613	H612-V615 VanDerWaalsContact O-CB 3.22Å; H612-V615 WeakPolarHBondContact O-CB 3.43Å; H612-V615 WeakPolarHBondContact O-CG2 3.38Å; H612-V615 PolarHBondContact O-N 3.48Å; Q613-V615 PolarHBondContact O-N 3.22Å
616	H	78.9	Confident	80.9	Confident	76 Å²	76	73.5 Å²	73.5	35%	0.352	40%	0.404	S	S	.	.	H	α-helix	trans	-85.6	-43	178.7	-55.6	-54.5	0	0	0	112.2	C596 V598 C599 H612 Q613 R614 G618	C596-H616 VanDerWaalsContact SG-CD2 3.58Å; C596-H616 PolarHBondContact SG-NE2 2.98Å; C596-H616 VanDerWaalsContact SG-NE2 3.41Å; V598-H616 HydrophobicContact CG1-CB 4.15Å; C599-H616 PolarHBondContact SG-NE2 2.98Å; C599-H616 VanDerWaalsContact SG-NE2 3.35Å; H612-H616 AromaticContact CD2-NE2 3.93Å; H612-H616 AromaticContact CE1-NE2 3.99Å; H612-H616 AromaticContact NE2-CE1 3.98Å; H612-H616 AromaticContact NE2-NE2 3.37Å; H612-H616 PolarHBondContact NE2-NE2 3.07Å; Q613-H616 PolarHBondContact O-N 3.15Å; R614-H616 VanDerWaalsContact C-N 3.34Å; H616-G618 PolarHBondContact O-N 3.04Å
617	T	79.1	Confident	81.3	Confident	88 Å²	88	73.2 Å²	73.2	54%	0.54	40%	0.401	S	S	.	.	S	Bend	trans	-77.1	-9.6	175.9	65.6	0	0	0	0	113.4	Q613 E619	Q613-T617 PolarHBondContact O-N 3.27Å; T617-E619 PolarHBondContact O-N 3.37Å; T617-E619 WeakPolarHBondContact OG1-CB 3.4Å; T617-E619 VanDerWaalsContact OG1-CG 3.3Å; T617-E619 WeakPolarHBondContact OG1-CG 3.43Å; T617-E619 PolarHBondContact OG1-N 3.31Å; T617-E619 PolarHBondContact OG1-OE1 2.77Å
618	G	78.1	Confident	81.5	Confident	45 Å²	45	73 Å²	73	46%	0.464	41%	0.408	S	S	.	.			trans	70.2	3	-174.5	0	0	0	0	0	114.5	R614 H616 K620	R614-G618 CarbonylContact O-C 3.52Å; R614-G618 WeakPolarHBondContact O-CA 3.1Å; R614-G618 PolarHBondContact O-N 3.11Å; R614-G618 VanDerWaalsContact O-N 3.11Å; H616-G618 PolarHBondContact O-N 3.04Å; G618-K620 PolarHBondContact O-N 3.03Å
619	E	78.3	Confident	81.7	Confident	100 Å²	100	73.7 Å²	73.7	47%	0.467	41%	0.408	S	S	.	.			trans	-58.1	131	-172.5	-87.4	173.3	-133.6	0	0	113.8	R614 T617 S632	R614-E619 HydrophobicContact CB-CB 4.08Å; R614-E619 HydrophobicContact CG-CB 4.05Å; R614-E619 PolarHBondContact O-N 3.29Å; T617-E619 PolarHBondContact O-N 3.37Å; T617-E619 WeakPolarHBondContact OG1-CB 3.4Å; T617-E619 VanDerWaalsContact OG1-CG 3.3Å; T617-E619 WeakPolarHBondContact OG1-CG 3.43Å; T617-E619 PolarHBondContact OG1-N 3.31Å; T617-E619 PolarHBondContact OG1-OE1 2.77Å; E619-S632 PolarHBondContact O-OG 2.89Å
620	K	82.3	Confident	81.6	Confident	117 Å²	117	73.6 Å²	73.6	51%	0.509	41%	0.412	S	S	.	.			trans	-132.1	74.7	177.2	-74.7	158.4	-177.8	166.5	0	109.6	G618 Y622 G630 F631	G618-K620 PolarHBondContact O-N 3.03Å; K620-Y622 PolarHBondContact O-N 3.08Å; K620-G630 WeakPolarHBondContact CD-O 3.42Å; K620-F631 CarbonylContact C-O 3.53Å; K620-F631 WeakPolarHBondContact CA-O 3.43Å
621	P	80	Confident	81.7	Confident	69 Å²	69	70.7 Å²	70.7	45%	0.448	40%	0.395	S	S	.	.			trans	-62.5	-27.1	-174.3	-23.2	35.2	0	0	0	113.3	K623	P621-K623 PolarHBondContact O-N 3.37Å
622	Y	84.1	Confident	81.7	Confident	81 Å²	81	70.3 Å²	70.3	32%	0.318	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	87	-176.4	-50.2	-74	0	0	0	109.8	K620 F631 S634	K620-Y622 PolarHBondContact O-N 3.08Å; Y622-F631 WeakPolarHBondContact CD2-O 3.31Å; Y622-F631 PolarHBondContact N-O 3.37Å; Y622-F631 VanDerWaalsContact N-O 3.16Å; Y622-F631 PolarHBondContact O-N 2.88Å; Y622-S634 VanDerWaalsContact CD2-N 3.26Å
623	K	83.8	Confident	81.4	Confident	152 Å²	152	74.9 Å²	74.9	66%	0.661	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.6	175.5	-63.3	-180	-178.2	178.2	0	111	P621 L637	P621-K623 PolarHBondContact O-N 3.37Å; K623-L637 WeakPolarHBondContact O-CD2 3.34Å
624	C	88.3	Confident	81.3	Confident	3 Å²	3	75 Å²	75	2%	0.02	42%	0.421	C	S	.	.			trans	-77.4	129.7	167.7	-178.3	0	0	0	0	110.1	C627 G628 K629 L637 H644	C624-C627 VanDerWaalsContact SG-SG 3.66Å; C624-G628 CarbonylContact O-C 3.54Å; C624-G628 WeakPolarHBondContact O-CA 3.27Å; C624-G628 PolarHBondContact O-N 3.34Å; C624-K629 HydrophobicContact CB-CB 4.5Å; C624-K629 PolarHBondContact N-O 3.19Å; C624-L637 HydrophobicContact CB-CD1 3.59Å; C624-H644 PolarHBondContact SG-NE2 3.31Å; C624-H644 VanDerWaalsContact SG-NE2 3.44Å
625	A	84.1	Confident	81	Confident	105 Å²	105	76 Å²	76	87%	0.868	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-39	178.1	0	0	0	0	0	112.4	C627	A625-C627 PolarHBondContact O-N 3.26Å
626	E	83.1	Confident	81	Confident	117 Å²	117	72.1 Å²	72.1	55%	0.547	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.5	-171.2	-60.9	165.5	-98.6	0	0	114	H644	E626-H644 IonicContact OE1-CD2 3.63Å; E626-H644 PolarHBondContact OE1-CD2 3.14Å; E626-H644 IonicContact OE1-CG 3.23Å; E626-H644 WeakPolarHBondContact OE2-CB 3.4Å; E626-H644 IonicContact OE2-CD2 3.88Å; E626-H644 IonicContact OE2-CG 3.87Å; E626-H644 VanDerWaalsContact OE2-CG 3.32Å
627	C	84.2	Confident	81.3	Confident	63 Å²	63	69.7 Å²	69.7	43%	0.426	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.1	12.1	-176.8	68.6	0	0	0	0	114.6	C624 A625 K629 H640 H644	C624-C627 VanDerWaalsContact SG-SG 3.66Å; A625-C627 PolarHBondContact O-N 3.26Å; C627-K629 PolarHBondContact O-N 3.22Å; C627-K629 VanDerWaalsContact SG-CB 3.55Å; C627-H640 PolarHBondContact SG-NE2 3.05Å; C627-H644 PolarHBondContact SG-NE2 2.78Å; C627-H644 VanDerWaalsContact SG-NE2 3.41Å
628	G	81.1	Confident	81.4	Confident	53 Å²	53	70.2 Å²	70.2	55%	0.546	40%	0.404	S	S	.	.			trans	65.7	-7.9	-178.5	0	0	0	0	0	115.9	C624 G630	C624-G628 CarbonylContact O-C 3.54Å; C624-G628 WeakPolarHBondContact O-CA 3.27Å; C624-G628 PolarHBondContact O-N 3.34Å; G628-G630 PolarHBondContact O-N 3.42Å
629	K	83.1	Confident	81.6	Confident	83 Å²	83	70.1 Å²	70.1	36%	0.361	39%	0.392	S	S	.	.			trans	-66.4	120.6	-166.5	-170.3	167.7	-174.1	159.9	0	112.5	C624 C627 F631	C624-K629 HydrophobicContact CB-CB 4.5Å; C624-K629 PolarHBondContact N-O 3.19Å; C627-K629 PolarHBondContact O-N 3.22Å; C627-K629 VanDerWaalsContact SG-CB 3.55Å; K629-F631 HydrophobicContact CB-CE2 4.06Å; K629-F631 HydrophobicContact CD-CE2 4.24Å; K629-F631 HydrophobicContact CD-CZ 3.88Å; K629-F631 HydrophobicContact CG-CE2 3.77Å; K629-F631 HydrophobicContact CG-CZ 3.88Å; K629-F631 WeakPolarHBondContact O-CD2 3.37Å; K629-F631 VanDerWaalsContact O-CE2 3.29Å; K629-F631 WeakPolarHBondContact O-CE2 3.38Å
630	G	81.7	Confident	81.9	Confident	20 Å²	20	66.1 Å²	66.1	21%	0.206	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	140.1	-179.5	0	0	0	0	0	114.7	K620 G628	K620-G630 WeakPolarHBondContact CD-O 3.42Å; G628-G630 PolarHBondContact O-N 3.42Å
631	F	81.3	Confident	82	Confident	39 Å²	39	64 Å²	64	17%	0.171	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.1	175.1	-61.8	-94.9	0	0	0	111.2	K620 Y622 K629 Y633 L637 H640	K620-F631 CarbonylContact C-O 3.53Å; K620-F631 WeakPolarHBondContact CA-O 3.43Å; Y622-F631 WeakPolarHBondContact CD2-O 3.31Å; Y622-F631 PolarHBondContact N-O 3.37Å; Y622-F631 VanDerWaalsContact N-O 3.16Å; Y622-F631 PolarHBondContact O-N 2.88Å; K629-F631 HydrophobicContact CB-CE2 4.06Å; K629-F631 HydrophobicContact CD-CE2 4.24Å; K629-F631 HydrophobicContact CD-CZ 3.88Å; K629-F631 HydrophobicContact CG-CE2 3.77Å; K629-F631 HydrophobicContact CG-CZ 3.88Å; K629-F631 WeakPolarHBondContact O-CD2 3.37Å; K629-F631 VanDerWaalsContact O-CE2 3.29Å; K629-F631 WeakPolarHBondContact O-CE2 3.38Å; F631-Y633 VanDerWaalsContact C-N 3.31Å; F631-L637 HydrophobicContact CB-CB 4.44Å; F631-L637 HydrophobicContact CD2-CB 4.11Å; F631-L637 HydrophobicContact CD2-CD1 4.19Å; F631-L637 HydrophobicContact CE2-CD1 4.4Å; F631-L637 HydrophobicContact CG-CB 4.39Å; F631-H640 HydrophobicContact CE1-CB 4.01Å; F631-H640 HydrophobicContact CE2-CB 3.85Å; F631-H640 AromaticContact CE2-CD2 3.24Å; F631-H640 WeakPolarHBondContact CE2-CD2 3.48Å; F631-H640 AromaticContact CE2-CG 3.68Å; F631-H640 HydrophobicContact CZ-CB 3.43Å; F631-H640 VanDerWaalsContact CZ-CB 3.43Å; F631-H640 AromaticContact CZ-CD2 3.31Å; F631-H640 WeakPolarHBondContact CZ-CD2 3.47Å; F631-H640 AromaticContact CZ-CG 3.28Å; F631-H640 AromaticContact CZ-NE2 3.99Å
632	S	77.4	Confident	82.3	Confident	28 Å²	28	63 Å²	63	20%	0.196	35%	0.353	C	S	.	.	S	Bend	trans	-83.1	-7.4	176.3	-47.6	0	0	0	0	113.4	R614 E619	R614-S632 PolarHBondContact NH1-O 3.1Å; E619-S632 PolarHBondContact O-OG 2.89Å
633	Y	75.8	Confident	82.3	Confident	123 Å²	123	60.9 Å²	60.9	48%	0.482	35%	0.349	S	S	.	.	S	Bend	trans	-131.1	138.2	177.3	-60.7	-102.5	0	0	0	110.9	I611 F631 S635 G636 L637	I611-Y633 HydrophobicContact CB-CE1 4.39Å; I611-Y633 HydrophobicContact CD1-CD1 4.33Å; I611-Y633 HydrophobicContact CD1-CE1 4.03Å; I611-Y633 HydrophobicContact CG2-CD1 4.01Å; I611-Y633 HydrophobicContact CG2-CD2 4.25Å; I611-Y633 HydrophobicContact CG2-CE1 3.51Å; I611-Y633 HydrophobicContact CG2-CE2 3.76Å; I611-Y633 HydrophobicContact CG2-CG 4.36Å; F631-Y633 VanDerWaalsContact C-N 3.31Å; Y633-S635 PolarHBondContact O-N 3.36Å; Y633-G636 PolarHBondContact O-N 3.44Å; Y633-G636 VanDerWaalsContact O-N 3.14Å; Y633-L637 PolarHBondContact O-N 2.84Å
634	S	78.1	Confident	82.3	Confident	67 Å²	67	57.1 Å²	57.1	47%	0.469	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-36.7	176.5	52	0	0	0	0	113.1	Y622 G636 L637 L638	Y622-S634 VanDerWaalsContact CD2-N 3.26Å; S634-G636 PolarHBondContact O-N 3.05Å; S634-L637 PolarHBondContact O-N 2.78Å; S634-L638 PolarHBondContact O-N 3.39Å
635	S	78.1	Confident	82	Confident	63 Å²	63	60.9 Å²	60.9	44%	0.441	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-30.9	173	53.4	0	0	0	0	112.8	Y633 I639	Y633-S635 PolarHBondContact O-N 3.36Å; S635-I639 WeakPolarHBondContact O-CB 3.45Å; S635-I639 WeakPolarHBondContact O-CD1 3.25Å; S635-I639 VanDerWaalsContact O-CG1 3.27Å; S635-I639 WeakPolarHBondContact O-CG1 3.36Å; S635-I639 PolarHBondContact O-N 3.23Å
636	G	80.6	Confident	81.9	Confident	23 Å²	23	57.8 Å²	57.8	24%	0.237	33%	0.334	C	S	.	.	H	α-helix	trans	-65.8	-44.4	172.9	0	0	0	0	0	112	Y633 S634 H640	Y633-G636 PolarHBondContact O-N 3.44Å; Y633-G636 VanDerWaalsContact O-N 3.14Å; S634-G636 PolarHBondContact O-N 3.05Å; G636-H640 WeakPolarHBondContact O-CB 3.38Å; G636-H640 PolarHBondContact O-N 3.49Å
637	L	84.6	Confident	81.9	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-61.8	-46.7	173.3	173.8	59	0	0	0	111.6	K623 C624 F631 Y633 S634 I639 H640 Q641	K623-L637 WeakPolarHBondContact O-CD2 3.34Å; C624-L637 HydrophobicContact CB-CD1 3.59Å; F631-L637 HydrophobicContact CB-CB 4.44Å; F631-L637 HydrophobicContact CD2-CB 4.11Å; F631-L637 HydrophobicContact CD2-CD1 4.19Å; F631-L637 HydrophobicContact CE2-CD1 4.4Å; F631-L637 HydrophobicContact CG-CB 4.39Å; Y633-L637 PolarHBondContact O-N 2.84Å; S634-L637 PolarHBondContact O-N 2.78Å; L637-I639 VanDerWaalsContact C-N 3.34Å; L637-I639 PolarHBondContact O-N 3.44Å; L637-H640 CarbonylContact O-C 3.25Å; L637-H640 WeakPolarHBondContact O-CA 3.36Å; L637-H640 WeakPolarHBondContact O-CB 3.38Å; L637-H640 PolarHBondContact O-N 2.66Å; L637-Q641 HydrophobicContact CD1-CG 4.13Å; L637-Q641 PolarHBondContact O-N 2.88Å
638	L	81.5	Confident	82	Confident	100 Å²	100	59.2 Å²	59.2	52%	0.524	33%	0.333	S	S	.	.	H	α-helix	trans	-62.3	-38.9	-179.8	-174	66.4	0	0	0	112.8	S634 H640	S634-L638 PolarHBondContact O-N 3.39Å; L638-H640 VanDerWaalsContact C-N 3.27Å
639	I	83.1	Confident	82.1	Confident	42 Å²	42	60 Å²	60	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-69.8	-28.2	173.4	-67.2	167.1	0	0	0	111.1	S635 L637 C661	S635-I639 WeakPolarHBondContact O-CB 3.45Å; S635-I639 WeakPolarHBondContact O-CD1 3.25Å; S635-I639 VanDerWaalsContact O-CG1 3.27Å; S635-I639 WeakPolarHBondContact O-CG1 3.36Å; S635-I639 PolarHBondContact O-N 3.23Å; L637-I639 VanDerWaalsContact C-N 3.34Å; L637-I639 PolarHBondContact O-N 3.44Å; I639-C661 HydrophobicContact CD1-CB 4.02Å; I639-C661 HydrophobicContact CG1-CB 4.27Å; I639-C661 HydrophobicContact CG2-CB 4.13Å
640	H	84.6	Confident	82.2	Confident	16 Å²	16	59.8 Å²	59.8	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-78.1	-32.3	176.4	-179.3	50.1	0	0	0	114	C627 F631 G636 L637 L638 R642 V643 H644	C627-H640 PolarHBondContact SG-NE2 3.05Å; F631-H640 HydrophobicContact CE1-CB 4.01Å; F631-H640 HydrophobicContact CE2-CB 3.85Å; F631-H640 AromaticContact CE2-CD2 3.24Å; F631-H640 WeakPolarHBondContact CE2-CD2 3.48Å; F631-H640 AromaticContact CE2-CG 3.68Å; F631-H640 HydrophobicContact CZ-CB 3.43Å; F631-H640 VanDerWaalsContact CZ-CB 3.43Å; F631-H640 AromaticContact CZ-CD2 3.31Å; F631-H640 WeakPolarHBondContact CZ-CD2 3.47Å; F631-H640 AromaticContact CZ-CG 3.28Å; F631-H640 AromaticContact CZ-NE2 3.99Å; G636-H640 WeakPolarHBondContact O-CB 3.38Å; G636-H640 PolarHBondContact O-N 3.49Å; L637-H640 CarbonylContact O-C 3.25Å; L637-H640 WeakPolarHBondContact O-CA 3.36Å; L637-H640 WeakPolarHBondContact O-CB 3.38Å; L637-H640 PolarHBondContact O-N 2.66Å; L638-H640 VanDerWaalsContact C-N 3.27Å; H640-R642 PolarHBondContact O-N 3.3Å; H640-V643 WeakPolarHBondContact ND1-CG2 3.41Å; H640-V643 WeakPolarHBondContact O-CA 3.2Å; H640-V643 WeakPolarHBondContact O-CB 3.48Å; H640-V643 VanDerWaalsContact O-CG2 3.24Å; H640-V643 WeakPolarHBondContact O-CG2 3.5Å; H640-V643 PolarHBondContact O-N 3.12Å; H640-H644 AromaticContact NE2-NE2 3.73Å
641	Q	83.3	Confident	82.3	Confident	74 Å²	74	67.4 Å²	67.4	35%	0.346	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-31.6	174.9	-72.3	170.2	-69.4	0	0	111.7	L637 V643 H644 T645	L637-Q641 HydrophobicContact CD1-CG 4.13Å; L637-Q641 PolarHBondContact O-N 2.88Å; Q641-V643 PolarHBondContact O-N 3.38Å; Q641-H644 PolarHBondContact O-N 3.27Å; Q641-T645 PolarHBondContact O-N 3.35Å
642	R	86.4	Confident	82.7	Confident	46 Å²	46	65.6 Å²	65.6	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-2.6	168.4	-58.8	-177.2	177.8	144.8	7.1	114.8	H640 E647 R660	H640-R642 PolarHBondContact O-N 3.3Å; R642-E647 HydrophobicContact CB-CB 4.11Å; R642-E647 HydrophobicContact CG-CB 4Å; R642-E647 IonicContact NE-OE2 3.82Å; R642-R660 HydrophobicContact CB-CB 4.3Å; R642-R660 HydrophobicContact CB-CG 4.06Å; R642-R660 WeakPolarHBondContact CD-O 3.43Å; R642-R660 PolarHBondContact NH1-O 3.31Å; R642-R660 WeakPolarHBondContact O-CD 3.44Å; R642-R660 PolarHBondContact O-NE 3.45Å
643	V	85.1	Confident	83.1	Confident	38 Å²	38	72.9 Å²	72.9	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-73.8	-47	165.7	-178.4	0	0	0	0	110.1	H640 Q641 R660	H640-V643 WeakPolarHBondContact ND1-CG2 3.41Å; H640-V643 WeakPolarHBondContact O-CA 3.2Å; H640-V643 WeakPolarHBondContact O-CB 3.48Å; H640-V643 VanDerWaalsContact O-CG2 3.24Å; H640-V643 WeakPolarHBondContact O-CG2 3.5Å; H640-V643 PolarHBondContact O-N 3.12Å; Q641-V643 PolarHBondContact O-N 3.38Å; V643-R660 PolarHBondContact O-NH2 3.17Å
644	H	82.8	Confident	83.5	Confident	73 Å²	73	71.8 Å²	71.8	34%	0.338	37%	0.371	S	S	.	.	H	α-helix	trans	-76	-48.6	-177	-53.2	-60.7	0	0	0	112.3	C624 E626 C627 H640 Q641 G646	C624-H644 PolarHBondContact SG-NE2 3.31Å; C624-H644 VanDerWaalsContact SG-NE2 3.44Å; E626-H644 IonicContact OE1-CD2 3.63Å; E626-H644 PolarHBondContact OE1-CD2 3.14Å; E626-H644 IonicContact OE1-CG 3.23Å; E626-H644 WeakPolarHBondContact OE2-CB 3.4Å; E626-H644 IonicContact OE2-CD2 3.88Å; E626-H644 IonicContact OE2-CG 3.87Å; E626-H644 VanDerWaalsContact OE2-CG 3.32Å; C627-H644 PolarHBondContact SG-NE2 2.78Å; C627-H644 VanDerWaalsContact SG-NE2 3.41Å; H640-H644 AromaticContact NE2-NE2 3.73Å; Q641-H644 PolarHBondContact O-N 3.27Å; H644-G646 PolarHBondContact O-N 3.29Å
645	T	82.3	Confident	83.8	Confident	82 Å²	82	70.8 Å²	70.8	50%	0.503	36%	0.363	S	S	.	.	S	Bend	trans	-69.3	-4.3	176.8	67	0	0	0	0	113.9	Q641 E647	Q641-T645 PolarHBondContact O-N 3.35Å; T645-E647 PolarHBondContact O-N 3.13Å; T645-E647 WeakPolarHBondContact OG1-CG 3.17Å
646	G	81.9	Confident	84	Confident	39 Å²	39	70.3 Å²	70.3	40%	0.402	37%	0.368	S	S	.	.			trans	68.3	-8.6	-176.5	0	0	0	0	0	115.5	H644 K648	H644-G646 PolarHBondContact O-N 3.29Å; G646-K648 PolarHBondContact O-N 3.11Å
647	E	82.5	Confident	84.2	Confident	96 Å²	96	75.2 Å²	75.2	45%	0.449	38%	0.382	S	S	.	.			trans	-49.8	131.1	-171.7	-85.7	-179.7	-155.9	0	0	114.2	R642 T645 P649 R660	R642-E647 HydrophobicContact CB-CB 4.11Å; R642-E647 HydrophobicContact CG-CB 4Å; R642-E647 IonicContact NE-OE2 3.82Å; T645-E647 PolarHBondContact O-N 3.13Å; T645-E647 WeakPolarHBondContact OG1-CG 3.17Å; E647-P649 HydrophobicContact CB-CG 4.5Å; E647-R660 WeakPolarHBondContact O-CG 3.04Å
648	K	86.3	Confident	84.2	Confident	115 Å²	115	75.2 Å²	75.2	50%	0.5	39%	0.388	S	S	.	.			trans	-131.4	71.7	175	-73	160.7	-175.6	168.4	0	110.3	G646 Y650 G658 F659	G646-K648 PolarHBondContact O-N 3.11Å; K648-Y650 PolarHBondContact O-N 3.45Å; K648-G658 WeakPolarHBondContact CD-O 3.33Å; K648-F659 CarbonylContact C-O 3.48Å; K648-F659 WeakPolarHBondContact CA-O 3.2Å
649	P	83.3	Confident	84.4	Confident	69 Å²	69	72.5 Å²	72.5	45%	0.448	37%	0.373	S	S	.	.			trans	-64.8	-23	-172.1	-21.8	34.8	0	0	0	113.8	E647	E647-P649 HydrophobicContact CB-CG 4.5Å
650	Y	85.8	Confident	84.4	Confident	78 Å²	78	73.4 Å²	73.4	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	92.8	-174.4	-48.8	-72.4	0	0	0	109.9	K648 F659 C661 T662	K648-Y650 PolarHBondContact O-N 3.45Å; Y650-F659 WeakPolarHBondContact CD2-O 3.41Å; Y650-F659 PolarHBondContact N-O 2.85Å; Y650-F659 PolarHBondContact O-N 3.31Å; Y650-C661 VanDerWaalsContact CD2-C 3.41Å; Y650-C661 VanDerWaalsContact CD2-CA 3.46Å; Y650-T662 HydrophobicContact CD1-CG2 3.51Å; Y650-T662 HydrophobicContact CD2-CG2 4.4Å; Y650-T662 HydrophobicContact CE1-CG2 3.36Å; Y650-T662 HydrophobicContact CE2-CG2 4.27Å; Y650-T662 HydrophobicContact CG-CG2 4.04Å
651	R	84.1	Confident	84.2	Confident	180 Å²	180	72.9 Å²	72.9	68%	0.679	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.3	176.7	-61.6	-173.9	-176.2	-169.1	1.6	111.4
652	C	88.9	Confident	84	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.007	38%	0.375	C	S	.	.			trans	-82.2	120.6	170	-173.6	0	0	0	0	109.7	E654 C655 G656 K657 F659 L665 H672	C652-E654 VanDerWaalsContact C-N 3.3Å; C652-E654 PolarHBondContact O-N 3.26Å; C652-C655 PolarHBondContact O-N 2.78Å; C652-G656 VanDerWaalsContact O-CA 3.27Å; C652-G656 WeakPolarHBondContact O-CA 3.37Å; C652-G656 PolarHBondContact O-N 3.45Å; C652-K657 WeakPolarHBondContact CB-O 3.24Å; C652-K657 PolarHBondContact N-O 2.91Å; C652-F659 HydrophobicContact CB-CE2 4.3Å; C652-L665 HydrophobicContact CB-CD1 3.6Å; C652-H672 VanDerWaalsContact SG-CD2 3.59Å; C652-H672 PolarHBondContact SG-NE2 3.3Å
653	Q	85.7	Confident	83.7	Confident	181 Å²	181	72.2 Å²	72.2	85%	0.846	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.7	-178.6	-54.2	-61.6	14.5	0	0	112.4	C655	Q653-C655 VanDerWaalsContact C-N 3.29Å; Q653-C655 PolarHBondContact O-N 3.33Å
654	E	83.8	Confident	83.6	Confident	101 Å²	101	71.5 Å²	71.5	47%	0.472	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.5	-177.2	-61.5	155.3	115.9	0	0	114.2	C652 H672	C652-E654 VanDerWaalsContact C-N 3.3Å; C652-E654 PolarHBondContact O-N 3.26Å; E654-H672 HydrophobicContact CB-CB 4.34Å; E654-H672 HydrophobicContact CG-CB 4.44Å; E654-H672 VanDerWaalsContact OE1-CB 3.22Å; E654-H672 WeakPolarHBondContact OE1-CB 3.43Å; E654-H672 IonicContact OE1-CG 3.97Å; E654-H672 IonicContact OE2-CD2 3.19Å; E654-H672 PolarHBondContact OE2-CD2 2.76Å; E654-H672 VanDerWaalsContact OE2-CD2 3.23Å; E654-H672 IonicContact OE2-CG 2.82Å
655	C	85.3	Confident	83.8	Confident	46 Å²	46	69 Å²	69	31%	0.311	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.9	12.4	-176.5	73.9	0	0	0	0	115.9	C652 Q653 K657 H668 H672	C652-C655 PolarHBondContact O-N 2.78Å; Q653-C655 VanDerWaalsContact C-N 3.29Å; Q653-C655 PolarHBondContact O-N 3.33Å; C655-K657 PolarHBondContact O-N 2.98Å; C655-H668 PolarHBondContact SG-NE2 3.25Å; C655-H672 WeakPolarHBondContact CB-CE1 3.32Å; C655-H672 PolarHBondContact SG-CE1 2.85Å; C655-H672 PolarHBondContact SG-NE2 2.86Å
656	G	82.4	Confident	83.7	Confident	52 Å²	52	70.8 Å²	70.8	54%	0.536	37%	0.367	S	S	.	.			trans	68	-14.4	-179.1	0	0	0	0	0	116.8	C652 G658	C652-G656 VanDerWaalsContact O-CA 3.27Å; C652-G656 WeakPolarHBondContact O-CA 3.37Å; C652-G656 PolarHBondContact O-N 3.45Å; G656-G658 PolarHBondContact O-N 2.98Å
657	K	84.8	Confident	83.6	Confident	126 Å²	126	71.5 Å²	71.5	55%	0.548	36%	0.359	S	S	.	.			trans	-60.3	124.1	-172.1	-71.3	177.5	-179.2	172.6	0	111.9	C652 C655 F659	C652-K657 WeakPolarHBondContact CB-O 3.24Å; C652-K657 PolarHBondContact N-O 2.91Å; C655-K657 PolarHBondContact O-N 2.98Å; K657-F659 HydrophobicContact CB-CE2 3.93Å; K657-F659 HydrophobicContact CB-CZ 4.2Å; K657-F659 WeakPolarHBondContact O-CD2 3.41Å; K657-F659 WeakPolarHBondContact O-CE2 3.2Å
658	G	85.1	Confident	83.7	Confident	24 Å²	24	68.2 Å²	68.2	25%	0.247	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.8	-178.7	0	0	0	0	0	114	K648 G656	K648-G658 WeakPolarHBondContact CD-O 3.33Å; G656-G658 PolarHBondContact O-N 2.98Å
659	F	84.9	Confident	83.5	Confident	44 Å²	44	65.9 Å²	65.9	19%	0.193	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.3	-178.5	-62.2	-89.5	0	0	0	112.2	K648 Y650 C652 K657 L665 H668	K648-F659 CarbonylContact C-O 3.48Å; K648-F659 WeakPolarHBondContact CA-O 3.2Å; Y650-F659 WeakPolarHBondContact CD2-O 3.41Å; Y650-F659 PolarHBondContact N-O 2.85Å; Y650-F659 PolarHBondContact O-N 3.31Å; C652-F659 HydrophobicContact CB-CE2 4.3Å; K657-F659 HydrophobicContact CB-CE2 3.93Å; K657-F659 HydrophobicContact CB-CZ 4.2Å; K657-F659 WeakPolarHBondContact O-CD2 3.41Å; K657-F659 WeakPolarHBondContact O-CE2 3.2Å; F659-L665 HydrophobicContact CB-CB 4.27Å; F659-L665 HydrophobicContact CD2-CB 4.04Å; F659-L665 HydrophobicContact CD2-CD1 3.84Å; F659-L665 HydrophobicContact CE2-CD1 4.06Å; F659-L665 HydrophobicContact CG-CB 4.24Å; F659-H668 HydrophobicContact CE1-CB 3.93Å; F659-H668 HydrophobicContact CE2-CB 3.97Å; F659-H668 AromaticContact CE2-CD2 3.36Å; F659-H668 WeakPolarHBondContact CE2-CD2 3.22Å; F659-H668 AromaticContact CE2-CG 3.8Å; F659-H668 HydrophobicContact CZ-CB 3.46Å; F659-H668 VanDerWaalsContact CZ-CB 3.46Å; F659-H668 AromaticContact CZ-CD2 3.33Å; F659-H668 WeakPolarHBondContact CZ-CD2 3.35Å; F659-H668 AromaticContact CZ-CG 3.31Å
660	R	83.3	Confident	83.4	Confident	61 Å²	61	66 Å²	66	23%	0.23	33%	0.326	C	S	.	.	S	Bend	trans	-74.8	-21.5	-180	-70.3	170.9	174.4	143.1	-3.6	113.7	R642 V643 E647	R642-R660 HydrophobicContact CB-CB 4.3Å; R642-R660 HydrophobicContact CB-CG 4.06Å; R642-R660 WeakPolarHBondContact CD-O 3.43Å; R642-R660 PolarHBondContact NH1-O 3.31Å; R642-R660 WeakPolarHBondContact O-CD 3.44Å; R642-R660 PolarHBondContact O-NE 3.45Å; V643-R660 PolarHBondContact O-NH2 3.17Å; E647-R660 WeakPolarHBondContact O-CG 3.04Å
661	C	80.7	Confident	83.2	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.034	34%	0.338	C	S	.	.	S	Bend	trans	-145.6	153.4	178	63.7	0	0	0	0	112.6	I639 Y650 S663 S664 L665	I639-C661 HydrophobicContact CD1-CB 4.02Å; I639-C661 HydrophobicContact CG1-CB 4.27Å; I639-C661 HydrophobicContact CG2-CB 4.13Å; Y650-C661 VanDerWaalsContact CD2-C 3.41Å; Y650-C661 VanDerWaalsContact CD2-CA 3.46Å; C661-S663 VanDerWaalsContact C-N 3.32Å; C661-S663 PolarHBondContact O-N 3.22Å; C661-S664 PolarHBondContact O-N 2.97Å; C661-S664 PolarHBondContact SG-OG 2.88Å; C661-S664 VanDerWaalsContact SG-OG 3.34Å; C661-L665 PolarHBondContact O-N 3.27Å
662	T	79.1	Confident	83	Confident	68 Å²	68	61.8 Å²	61.8	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-37.6	-179.2	49.7	0	0	0	0	113.3	Y650 S664 L665 H666	Y650-T662 HydrophobicContact CD1-CG2 3.51Å; Y650-T662 HydrophobicContact CD2-CG2 4.4Å; Y650-T662 HydrophobicContact CE1-CG2 3.36Å; Y650-T662 HydrophobicContact CE2-CG2 4.27Å; Y650-T662 HydrophobicContact CG-CG2 4.04Å; T662-S664 VanDerWaalsContact C-N 3.33Å; T662-S664 PolarHBondContact O-N 3.49Å; T662-L665 WeakPolarHBondContact O-CB 3.34Å; T662-L665 PolarHBondContact O-N 2.91Å; T662-H666 PolarHBondContact O-N 2.38Å; T662-H666 PolarHBondContact O-ND1 3.25Å
663	S	79.1	Confident	82.4	Confident	38 Å²	38	65.2 Å²	65.2	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-68.5	-30.6	-177.8	56.2	0	0	0	0	112.8	C661 K667	C661-S663 VanDerWaalsContact C-N 3.32Å; C661-S663 PolarHBondContact O-N 3.22Å; S663-K667 VanDerWaalsContact O-CG 3.25Å; S663-K667 WeakPolarHBondContact O-CG 3.4Å; S663-K667 PolarHBondContact O-N 3.16Å; S663-K667 VanDerWaalsContact O-N 3.14Å
664	S	83.3	Confident	81.9	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-72.6	-36.4	171.3	-69.4	0	0	0	0	112.2	H222 C661 T662 K667 H668	H222-S664 PolarHBondContact NE2-OG 3.37Å; C661-S664 PolarHBondContact O-N 2.97Å; C661-S664 PolarHBondContact SG-OG 2.88Å; C661-S664 VanDerWaalsContact SG-OG 3.34Å; T662-S664 VanDerWaalsContact C-N 3.33Å; T662-S664 PolarHBondContact O-N 3.49Å; S664-K667 PolarHBondContact O-N 3.13Å; S664-H668 PolarHBondContact O-N 3.15Å
665	L	86.4	Confident	81.3	Confident	20 Å²	20	60.8 Å²	60.8	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-48	171.6	174	59.1	0	0	0	111.7	C652 F659 C661 T662 K667 H668 Q669	C652-L665 HydrophobicContact CB-CD1 3.6Å; F659-L665 HydrophobicContact CB-CB 4.27Å; F659-L665 HydrophobicContact CD2-CB 4.04Å; F659-L665 HydrophobicContact CD2-CD1 3.84Å; F659-L665 HydrophobicContact CE2-CD1 4.06Å; F659-L665 HydrophobicContact CG-CB 4.24Å; C661-L665 PolarHBondContact O-N 3.27Å; T662-L665 WeakPolarHBondContact O-CB 3.34Å; T662-L665 PolarHBondContact O-N 2.91Å; L665-K667 VanDerWaalsContact C-N 3.27Å; L665-K667 PolarHBondContact O-N 3.19Å; L665-H668 CarbonylContact O-C 3.35Å; L665-H668 WeakPolarHBondContact O-CA 3.39Å; L665-H668 WeakPolarHBondContact O-CB 3.21Å; L665-H668 PolarHBondContact O-N 2.54Å; L665-Q669 HydrophobicContact CD1-CG 4.16Å; L665-Q669 WeakPolarHBondContact O-CG 3.32Å; L665-Q669 PolarHBondContact O-N 3.04Å
666	H	81.2	Confident	81.1	Confident	121 Å²	121	64.6 Å²	64.6	56%	0.56	34%	0.344	S	S	*	.	H	α-helix	trans	-63.1	-31.1	177.8	-74.1	79.2	0	0	0	113.1	T662	T662-H666 PolarHBondContact O-N 2.38Å; T662-H666 PolarHBondContact O-ND1 3.25Å
667	K	80.8	Confident	81	Confident	54 Å²	54	65.9 Å²	65.9	24%	0.235	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-37.9	171.2	-73.9	171.1	-172.1	177.8	0	111.2	W218 S663 S664 L665 R670 Y689	W218-K667 PolarHBondContact O-NZ 2.81Å; S663-K667 VanDerWaalsContact O-CG 3.25Å; S663-K667 WeakPolarHBondContact O-CG 3.4Å; S663-K667 PolarHBondContact O-N 3.16Å; S663-K667 VanDerWaalsContact O-N 3.14Å; S664-K667 PolarHBondContact O-N 3.13Å; L665-K667 VanDerWaalsContact C-N 3.27Å; L665-K667 PolarHBondContact O-N 3.19Å; K667-R670 WeakPolarHBondContact O-CB 3.39Å; K667-Y689 HydrophobicContact CB-CE1 4.19Å; K667-Y689 HydrophobicContact CG-CE1 4.22Å; K667-Y689 PolarHBondContact O-OH 3.22Å
668	H	83.4	Confident	80.9	Confident	26 Å²	26	62.9 Å²	62.9	12%	0.12	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-39	176.4	176.8	50.8	0	0	0	114	C655 F659 S664 L665 R670 V671 H672	C655-H668 PolarHBondContact SG-NE2 3.25Å; F659-H668 HydrophobicContact CE1-CB 3.93Å; F659-H668 HydrophobicContact CE2-CB 3.97Å; F659-H668 AromaticContact CE2-CD2 3.36Å; F659-H668 WeakPolarHBondContact CE2-CD2 3.22Å; F659-H668 AromaticContact CE2-CG 3.8Å; F659-H668 HydrophobicContact CZ-CB 3.46Å; F659-H668 VanDerWaalsContact CZ-CB 3.46Å; F659-H668 AromaticContact CZ-CD2 3.33Å; F659-H668 WeakPolarHBondContact CZ-CD2 3.35Å; F659-H668 AromaticContact CZ-CG 3.31Å; S664-H668 PolarHBondContact O-N 3.15Å; L665-H668 CarbonylContact O-C 3.35Å; L665-H668 WeakPolarHBondContact O-CA 3.39Å; L665-H668 WeakPolarHBondContact O-CB 3.21Å; L665-H668 PolarHBondContact O-N 2.54Å; H668-R670 PolarHBondContact O-N 2.84Å; H668-V671 VanDerWaalsContact O-CB 3.27Å; H668-V671 WeakPolarHBondContact O-CB 3.45Å; H668-V671 WeakPolarHBondContact O-CG2 3.3Å; H668-V671 PolarHBondContact O-N 3.01Å; H668-H672 AromaticContact CD2-NE2 3.13Å; H668-H672 PolarHBondContact CD2-NE2 3Å; H668-H672 AromaticContact CE1-CE1 3.93Å; H668-H672 AromaticContact CE1-NE2 3.09Å; H668-H672 PolarHBondContact CE1-NE2 3.28Å; H668-H672 AromaticContact NE2-CE1 3.9Å; H668-H672 AromaticContact NE2-NE2 2.34Å; H668-H672 PolarHBondContact NE2-NE2 3.36Å
669	Q	81.9	Confident	80.7	Confident	66 Å²	66	65.2 Å²	65.2	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-17.3	178.8	-71.7	171.4	-62.6	0	0	113.8	L665 V671 H672 T673	L665-Q669 HydrophobicContact CD1-CG 4.16Å; L665-Q669 WeakPolarHBondContact O-CG 3.32Å; L665-Q669 PolarHBondContact O-N 3.04Å; Q669-V671 PolarHBondContact O-N 3.16Å; Q669-H672 PolarHBondContact O-N 3.4Å; Q669-T673 WeakPolarHBondContact O-CG2 3.5Å; Q669-T673 PolarHBondContact O-N 3.09Å; Q669-T673 VanDerWaalsContact O-N 3.14Å; Q669-T673 PolarHBondContact O-OG1 3.29Å
670	R	82.4	Confident	80.9	Confident	73 Å²	73	63.2 Å²	63.2	28%	0.275	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-17.5	170.1	-58.6	-177.3	178.2	-158	-6.1	113.7	K667 H668 S688	K667-R670 WeakPolarHBondContact O-CB 3.39Å; H668-R670 PolarHBondContact O-N 2.84Å; R670-S688 PolarHBondContact NH1-O 3.25Å
671	V	80.6	Confident	80.9	Confident	93 Å²	93	66.8 Å²	66.8	56%	0.564	35%	0.354	S	S	*	.	H	α-helix	trans	-76.3	-46.3	177	-179.6	0	0	0	0	110.5	H668 Q669	H668-V671 VanDerWaalsContact O-CB 3.27Å; H668-V671 WeakPolarHBondContact O-CB 3.45Å; H668-V671 WeakPolarHBondContact O-CG2 3.3Å; H668-V671 PolarHBondContact O-N 3.01Å; Q669-V671 PolarHBondContact O-N 3.16Å
672	H	79.3	Confident	81	Confident	76 Å²	76	73.5 Å²	73.5	35%	0.352	38%	0.384	S	S	.	.	H	α-helix	trans	-75.2	-47.3	-178.6	-54.5	-51.9	0	0	0	112	C652 E654 C655 H668 Q669 G674	C652-H672 VanDerWaalsContact SG-CD2 3.59Å; C652-H672 PolarHBondContact SG-NE2 3.3Å; E654-H672 HydrophobicContact CB-CB 4.34Å; E654-H672 HydrophobicContact CG-CB 4.44Å; E654-H672 VanDerWaalsContact OE1-CB 3.22Å; E654-H672 WeakPolarHBondContact OE1-CB 3.43Å; E654-H672 IonicContact OE1-CG 3.97Å; E654-H672 IonicContact OE2-CD2 3.19Å; E654-H672 PolarHBondContact OE2-CD2 2.76Å; E654-H672 VanDerWaalsContact OE2-CD2 3.23Å; E654-H672 IonicContact OE2-CG 2.82Å; C655-H672 WeakPolarHBondContact CB-CE1 3.32Å; C655-H672 PolarHBondContact SG-CE1 2.85Å; C655-H672 PolarHBondContact SG-NE2 2.86Å; H668-H672 AromaticContact CD2-NE2 3.13Å; H668-H672 PolarHBondContact CD2-NE2 3Å; H668-H672 AromaticContact CE1-CE1 3.93Å; H668-H672 AromaticContact CE1-NE2 3.09Å; H668-H672 PolarHBondContact CE1-NE2 3.28Å; H668-H672 AromaticContact NE2-CE1 3.9Å; H668-H672 AromaticContact NE2-NE2 2.34Å; H668-H672 PolarHBondContact NE2-NE2 3.36Å; Q669-H672 PolarHBondContact O-N 3.4Å; H672-G674 PolarHBondContact O-N 3.23Å
673	T	77.5	Confident	81.3	Confident	72 Å²	72	72.4 Å²	72.4	44%	0.442	38%	0.379	S	S	.	.	S	Bend	trans	-67.4	-5.6	177.5	57.7	0	0	0	0	114.1	Q669 K675	Q669-T673 WeakPolarHBondContact O-CG2 3.5Å; Q669-T673 PolarHBondContact O-N 3.09Å; Q669-T673 VanDerWaalsContact O-N 3.14Å; Q669-T673 PolarHBondContact O-OG1 3.29Å; T673-K675 WeakPolarHBondContact O-CG 3.48Å; T673-K675 PolarHBondContact O-N 3.4Å
674	G	74	Confident	81.4	Confident	45 Å²	45	73.4 Å²	73.4	46%	0.464	40%	0.395	S	S	.	.			trans	63.6	-4	-178.4	0	0	0	0	0	115.6	H672 K676	H672-G674 PolarHBondContact O-N 3.23Å; G674-K676 PolarHBondContact O-N 3.47Å
675	K	72.8	Confident	81.4	Confident	144 Å²	144	78.5 Å²	78.5	63%	0.626	42%	0.415	S	S	*	.			trans	-63.6	123.1	-168.9	-68.1	-173.9	-179.9	-176.3	0	110.8	T673 P677	T673-K675 WeakPolarHBondContact O-CG 3.48Å; T673-K675 PolarHBondContact O-N 3.4Å; K675-P677 WeakPolarHBondContact O-CD 3.38Å
676	K	80.1	Confident	81.3	Confident	126 Å²	126	78.5 Å²	78.5	55%	0.548	42%	0.419	S	S	.	.			trans	-121.4	78	-178.5	-77.8	161.9	164.5	-174.6	0	109.4	G674 Y678 G686 F687	G674-K676 PolarHBondContact O-N 3.47Å; K676-Y678 PolarHBondContact O-N 2.85Å; K676-Y678 VanDerWaalsContact O-N 3.11Å; K676-G686 VanDerWaalsContact CD-O 3.23Å; K676-G686 WeakPolarHBondContact CD-O 3.44Å; K676-G686 WeakPolarHBondContact CE-O 3.47Å; K676-F687 CarbonylContact C-O 3.48Å; K676-F687 VanDerWaalsContact C-O 3.28Å; K676-F687 VanDerWaalsContact CA-O 3.3Å; K676-F687 WeakPolarHBondContact CA-O 3.28Å
677	P	80.2	Confident	81.3	Confident	80 Å²	80	74.9 Å²	74.9	52%	0.519	40%	0.402	S	S	.	.			trans	-70.2	-7.4	-171.2	-17.5	32.7	0	0	0	114.5	K675	K675-P677 WeakPolarHBondContact O-CD 3.38Å
678	Y	82.4	Confident	81.2	Confident	62 Å²	62	73.7 Å²	73.7	24%	0.243	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	90.7	-173.6	-53.7	-80.4	0	0	0	109.1	K676 F687 G690	K676-Y678 PolarHBondContact O-N 2.85Å; K676-Y678 VanDerWaalsContact O-N 3.11Å; Y678-F687 PolarHBondContact N-O 3.27Å; Y678-F687 PolarHBondContact O-N 3.12Å; Y678-G690 VanDerWaalsContact CE2-N 3.35Å
679	T	81.8	Confident	81	Confident	74 Å²	74	76.1 Å²	76.1	45%	0.454	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	151.5	174	40.3	0	0	0	0	111.6	L693	T679-L693 WeakPolarHBondContact O-CD1 3.34Å; T679-L693 WeakPolarHBondContact O-CD2 3.39Å
680	C	87.9	Confident	80.9	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.014	41%	0.407	C	S	.	.			trans	-100.7	115.1	168.9	-174.4	0	0	0	0	110	Q682 C683 G684 K685 F687 L693 H696 H700	C680-Q682 PolarHBondContact O-N 3.21Å; C680-C683 PolarHBondContact O-N 3.49Å; C680-C683 VanDerWaalsContact O-N 3.08Å; C680-G684 WeakPolarHBondContact O-CA 3.38Å; C680-G684 PolarHBondContact O-N 2.92Å; C680-K685 PolarHBondContact N-O 3.31Å; C680-F687 HydrophobicContact CB-CE2 4.34Å; C680-L693 HydrophobicContact CB-CD1 3.5Å; C680-L693 VanDerWaalsContact CB-CD1 3.5Å; C680-H696 VanDerWaalsContact SG-CD2 3.52Å; C680-H700 PolarHBondContact SG-NE2 3.24Å
681	D	84.1	Confident	80.8	Confident	136 Å²	136	74.3 Å²	74.3	73%	0.727	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.6	-169	-38.8	-70.2	0	0	0	112.1	C683	D681-C683 PolarHBondContact O-N 3.08Å
682	Q	82.8	Confident	80.9	Confident	145 Å²	145	73.4 Å²	73.4	68%	0.678	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.7	177.7	-62.8	-167.6	6.6	0	0	115	C680	C680-Q682 PolarHBondContact O-N 3.21Å
683	C	84.8	Confident	81.2	Confident	46 Å²	46	70.7 Å²	70.7	31%	0.311	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.8	14.4	178.6	75.4	0	0	0	0	116.5	C680 D681 K685 H696 H700	C680-C683 PolarHBondContact O-N 3.49Å; C680-C683 VanDerWaalsContact O-N 3.08Å; D681-C683 PolarHBondContact O-N 3.08Å; C683-K685 PolarHBondContact O-N 3.48Å; C683-H696 PolarHBondContact SG-NE2 2.9Å; C683-H700 WeakPolarHBondContact CB-CE1 3.42Å; C683-H700 PolarHBondContact SG-CE1 3.17Å; C683-H700 PolarHBondContact SG-NE2 3.24Å
684	G	81.9	Confident	81.4	Confident	58 Å²	58	73.7 Å²	73.7	60%	0.598	40%	0.402	S	S	*	.			trans	65.5	-4.2	179.4	0	0	0	0	0	116.4	C680 G686	C680-G684 WeakPolarHBondContact O-CA 3.38Å; C680-G684 PolarHBondContact O-N 2.92Å; G684-G686 PolarHBondContact O-N 3.41Å; G684-G686 VanDerWaalsContact O-N 3.16Å
685	K	83.1	Confident	81.7	Confident	130 Å²	130	73.7 Å²	73.7	57%	0.565	39%	0.393	S	S	*	.			trans	-71.3	114.6	-171.6	-73.6	177.4	-177.6	171.3	0	111.5	C680 C683 F687	C680-K685 PolarHBondContact N-O 3.31Å; C683-K685 PolarHBondContact O-N 3.48Å; K685-F687 HydrophobicContact CB-CE2 3.98Å; K685-F687 HydrophobicContact CB-CZ 4.17Å; K685-F687 VanDerWaalsContact O-CD2 3.23Å; K685-F687 WeakPolarHBondContact O-CD2 3.41Å; K685-F687 WeakPolarHBondContact O-CE2 3.47Å
686	G	83.4	Confident	82.3	Confident	19 Å²	19	67.8 Å²	67.8	20%	0.196	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.3	176.5	0	0	0	0	0	114.3	K676 G684	K676-G686 VanDerWaalsContact CD-O 3.23Å; K676-G686 WeakPolarHBondContact CD-O 3.44Å; K676-G686 WeakPolarHBondContact CE-O 3.47Å; G684-G686 PolarHBondContact O-N 3.41Å; G684-G686 VanDerWaalsContact O-N 3.16Å
687	F	81.7	Confident	82.5	Confident	45 Å²	45	65.3 Å²	65.3	20%	0.197	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.5	177.8	-60.6	-87.3	0	0	0	111.8	K676 Y678 C680 K685 Y689 N692 L693 H696	K676-F687 CarbonylContact C-O 3.48Å; K676-F687 VanDerWaalsContact C-O 3.28Å; K676-F687 VanDerWaalsContact CA-O 3.3Å; K676-F687 WeakPolarHBondContact CA-O 3.28Å; Y678-F687 PolarHBondContact N-O 3.27Å; Y678-F687 PolarHBondContact O-N 3.12Å; C680-F687 HydrophobicContact CB-CE2 4.34Å; K685-F687 HydrophobicContact CB-CE2 3.98Å; K685-F687 HydrophobicContact CB-CZ 4.17Å; K685-F687 VanDerWaalsContact O-CD2 3.23Å; K685-F687 WeakPolarHBondContact O-CD2 3.41Å; K685-F687 WeakPolarHBondContact O-CE2 3.47Å; F687-Y689 VanDerWaalsContact C-N 3.27Å; F687-Y689 PolarHBondContact O-N 3.2Å; F687-N692 HydrophobicContact CB-CB 4.34Å; F687-N692 HydrophobicContact CD1-CB 4.03Å; F687-N692 HydrophobicContact CG-CB 4.42Å; F687-L693 HydrophobicContact CB-CB 4.46Å; F687-L693 HydrophobicContact CD2-CB 4.08Å; F687-L693 HydrophobicContact CD2-CD1 4.07Å; F687-L693 HydrophobicContact CE2-CD1 4.29Å; F687-L693 HydrophobicContact CG-CB 4.46Å; F687-H696 HydrophobicContact CE1-CB 4.12Å; F687-H696 HydrophobicContact CE2-CB 3.87Å; F687-H696 AromaticContact CE2-CD2 3.43Å; F687-H696 VanDerWaalsContact CE2-CD2 3.43Å; F687-H696 WeakPolarHBondContact CE2-CD2 3.28Å; F687-H696 AromaticContact CE2-CG 3.57Å; F687-H696 HydrophobicContact CZ-CB 3.54Å; F687-H696 AromaticContact CZ-CD2 3.59Å; F687-H696 AromaticContact CZ-CG 3.26Å; F687-H696 AromaticContact CZ-ND1 3.58Å
688	S	79.5	Confident	82.7	Confident	29 Å²	29	63.7 Å²	63.7	20%	0.203	34%	0.342	C	S	.	.	S	Bend	trans	-78	-9.1	177.7	-48.4	0	0	0	0	114.1	R670	R670-S688 PolarHBondContact NH1-O 3.25Å
689	Y	79.1	Confident	82.5	Confident	78 Å²	78	64.8 Å²	64.8	31%	0.306	35%	0.351	S	S	.	.	S	Bend	trans	-142.9	131.9	-177.3	-55.9	-79.6	0	0	0	111.3	K667 F687 S691 N692 L693	K667-Y689 HydrophobicContact CB-CE1 4.19Å; K667-Y689 HydrophobicContact CG-CE1 4.22Å; K667-Y689 PolarHBondContact O-OH 3.22Å; F687-Y689 VanDerWaalsContact C-N 3.27Å; F687-Y689 PolarHBondContact O-N 3.2Å; Y689-S691 PolarHBondContact O-N 3.22Å; Y689-N692 WeakPolarHBondContact O-CB 3.35Å; Y689-N692 PolarHBondContact O-N 3.41Å; Y689-L693 PolarHBondContact O-N 2.81Å
690	G	79.9	Confident	82.5	Confident	26 Å²	26	65 Å²	65	27%	0.268	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-25.7	178	0	0	0	0	0	114	Y678 N692 L693 R694	Y678-G690 VanDerWaalsContact CE2-N 3.35Å; G690-N692 VanDerWaalsContact C-N 3.26Å; G690-N692 PolarHBondContact O-N 2.95Å; G690-L693 PolarHBondContact O-N 3.47Å; G690-R694 WeakPolarHBondContact O-CB 3.37Å; G690-R694 PolarHBondContact O-N 3.28Å
691	S	80.3	Confident	82.1	Confident	74 Å²	74	68.6 Å²	68.6	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-58.1	-40.1	168.8	52.6	0	0	0	0	112.2	Y689 R694 T695	Y689-S691 PolarHBondContact O-N 3.22Å; S691-R694 PolarHBondContact O-N 3.33Å; S691-T695 PolarHBondContact O-N 3.4Å; S691-T695 PolarHBondContact O-OG1 2.86Å
692	N	82.6	Confident	81.9	Confident	74 Å²	74	63.9 Å²	63.9	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-77.1	-39	-175.8	-62.1	19.7	0	0	0	109.8	F687 Y689 G690 T695 H696	F687-N692 HydrophobicContact CB-CB 4.34Å; F687-N692 HydrophobicContact CD1-CB 4.03Å; F687-N692 HydrophobicContact CG-CB 4.42Å; Y689-N692 WeakPolarHBondContact O-CB 3.35Å; Y689-N692 PolarHBondContact O-N 3.41Å; G690-N692 VanDerWaalsContact C-N 3.26Å; G690-N692 PolarHBondContact O-N 2.95Å; N692-T695 WeakPolarHBondContact CA-OG1 3.39Å; N692-T695 PolarHBondContact O-N 2.86Å; N692-T695 PolarHBondContact O-OG1 3.42Å; N692-H696 VanDerWaalsContact O-CB 3.26Å; N692-H696 WeakPolarHBondContact O-CB 3.45Å; N692-H696 PolarHBondContact O-N 3.25Å
693	L	85.7	Confident	81.8	Confident	20 Å²	20	61.2 Å²	61.2	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-55.6	-50	167.1	173.9	59.6	0	0	0	111	T679 C680 F687 Y689 G690 T695 H696 Q697	T679-L693 WeakPolarHBondContact O-CD1 3.34Å; T679-L693 WeakPolarHBondContact O-CD2 3.39Å; C680-L693 HydrophobicContact CB-CD1 3.5Å; C680-L693 VanDerWaalsContact CB-CD1 3.5Å; F687-L693 HydrophobicContact CB-CB 4.46Å; F687-L693 HydrophobicContact CD2-CB 4.08Å; F687-L693 HydrophobicContact CD2-CD1 4.07Å; F687-L693 HydrophobicContact CE2-CD1 4.29Å; F687-L693 HydrophobicContact CG-CB 4.46Å; Y689-L693 PolarHBondContact O-N 2.81Å; G690-L693 PolarHBondContact O-N 3.47Å; L693-T695 VanDerWaalsContact C-N 3.34Å; L693-T695 PolarHBondContact O-N 3.24Å; L693-H696 CarbonylContact O-C 3.5Å; L693-H696 WeakPolarHBondContact O-CA 3.47Å; L693-H696 WeakPolarHBondContact O-CB 3.26Å; L693-H696 PolarHBondContact O-N 3.22Å; L693-Q697 HydrophobicContact CD1-CG 4Å; L693-Q697 HydrophobicContact CG-CG 4.37Å; L693-Q697 WeakPolarHBondContact O-CG 3.25Å; L693-Q697 PolarHBondContact O-N 2.62Å
694	R	80.9	Confident	81.7	Confident	134 Å²	134	65 Å²	65	51%	0.506	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-39	179.6	-164.7	178.8	-65.3	-155.4	-1.3	112.8	W211 G690 S691 H696	W211-R694 VanDerWaalsContact CH2-NH1 3.29Å; G690-R694 WeakPolarHBondContact O-CB 3.37Å; G690-R694 PolarHBondContact O-N 3.28Å; S691-R694 PolarHBondContact O-N 3.33Å; R694-H696 VanDerWaalsContact C-N 3.32Å
695	T	81.3	Confident	81.8	Confident	46 Å²	46	65.4 Å²	65.4	28%	0.282	34%	0.343	S	S	.	.	H	α-helix	trans	-72.2	-24.6	172.2	55.8	0	0	0	0	113.9	S691 N692 L693 Y717	S691-T695 PolarHBondContact O-N 3.4Å; S691-T695 PolarHBondContact O-OG1 2.86Å; N692-T695 WeakPolarHBondContact CA-OG1 3.39Å; N692-T695 PolarHBondContact O-N 2.86Å; N692-T695 PolarHBondContact O-OG1 3.42Å; L693-T695 VanDerWaalsContact C-N 3.34Å; L693-T695 PolarHBondContact O-N 3.24Å; T695-Y717 HydrophobicContact CG2-CE1 4.38Å
696	H	84.4	Confident	81.8	Confident	20 Å²	20	63.5 Å²	63.5	9%	0.093	33%	0.333	C	S	.	.	H	α-helix	trans	-78.9	-37.1	175.4	171.1	76.4	0	0	0	112.1	C680 C683 F687 N692 L693 R694 R698 L699 H700	C680-H696 VanDerWaalsContact SG-CD2 3.52Å; C683-H696 PolarHBondContact SG-NE2 2.9Å; F687-H696 HydrophobicContact CE1-CB 4.12Å; F687-H696 HydrophobicContact CE2-CB 3.87Å; F687-H696 AromaticContact CE2-CD2 3.43Å; F687-H696 VanDerWaalsContact CE2-CD2 3.43Å; F687-H696 WeakPolarHBondContact CE2-CD2 3.28Å; F687-H696 AromaticContact CE2-CG 3.57Å; F687-H696 HydrophobicContact CZ-CB 3.54Å; F687-H696 AromaticContact CZ-CD2 3.59Å; F687-H696 AromaticContact CZ-CG 3.26Å; F687-H696 AromaticContact CZ-ND1 3.58Å; N692-H696 VanDerWaalsContact O-CB 3.26Å; N692-H696 WeakPolarHBondContact O-CB 3.45Å; N692-H696 PolarHBondContact O-N 3.25Å; L693-H696 CarbonylContact O-C 3.5Å; L693-H696 WeakPolarHBondContact O-CA 3.47Å; L693-H696 WeakPolarHBondContact O-CB 3.26Å; L693-H696 PolarHBondContact O-N 3.22Å; R694-H696 VanDerWaalsContact C-N 3.32Å; H696-R698 PolarHBondContact O-N 3.33Å; H696-L699 VanDerWaalsContact ND1-CD1 3.32Å; H696-L699 WeakPolarHBondContact ND1-CD1 3.17Å; H696-L699 WeakPolarHBondContact O-CB 3.21Å; H696-L699 PolarHBondContact O-N 3.46Å; H696-H700 AromaticContact CD2-NE2 3.45Å; H696-H700 PolarHBondContact CD2-NE2 2.85Å; H696-H700 AromaticContact CE1-NE2 3.65Å; H696-H700 AromaticContact NE2-NE2 2.74Å; H696-H700 PolarHBondContact NE2-NE2 2.83Å
697	Q	83.9	Confident	81.7	Confident	73 Å²	73	67 Å²	67	34%	0.341	35%	0.351	S	S	.	.	H	α-helix	trans	-56.3	-33.4	175.4	-76.6	165.1	-39.8	0	0	111.8	L693 L699 H700 T701	L693-Q697 HydrophobicContact CD1-CG 4Å; L693-Q697 HydrophobicContact CG-CG 4.37Å; L693-Q697 WeakPolarHBondContact O-CG 3.25Å; L693-Q697 PolarHBondContact O-N 2.62Å; Q697-L699 PolarHBondContact O-N 2.88Å; Q697-L699 VanDerWaalsContact O-N 3.1Å; Q697-H700 PolarHBondContact O-N 3.35Å; Q697-T701 PolarHBondContact O-N 2.85Å; Q697-T701 VanDerWaalsContact O-N 3.11Å
698	R	84.3	Confident	82	Confident	47 Å²	47	65 Å²	65	18%	0.177	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-19.5	170.9	-62.2	-177.1	178	160.2	2.4	114.9	H696 H700 T701 G702 E703 R716	H696-R698 PolarHBondContact O-N 3.33Å; R698-H700 VanDerWaalsContact C-N 3.33Å; R698-T701 WeakPolarHBondContact CA-OG1 3.37Å; R698-G702 PolarHBondContact O-N 3.02Å; R698-E703 HydrophobicContact CB-CB 4.14Å; R698-E703 HydrophobicContact CG-CB 4.03Å; R698-E703 IonicContact NE-OE2 3.87Å; R698-R716 VanDerWaalsContact C-NE 3.29Å; R698-R716 HydrophobicContact CB-CG 3.8Å; R698-R716 PolarHBondContact NH1-O 2.89Å; R698-R716 PolarHBondContact O-NE 3.03Å; R698-R716 PolarHBondContact O-NH1 3.28Å
699	L	79.6	Confident	82.2	Confident	84 Å²	84	68.6 Å²	68.6	44%	0.44	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-38.4	172.7	-72.9	154.4	0	0	0	110.8	H696 Q697	H696-L699 VanDerWaalsContact ND1-CD1 3.32Å; H696-L699 WeakPolarHBondContact ND1-CD1 3.17Å; H696-L699 WeakPolarHBondContact O-CB 3.21Å; H696-L699 PolarHBondContact O-N 3.46Å; Q697-L699 PolarHBondContact O-N 2.88Å; Q697-L699 VanDerWaalsContact O-N 3.1Å
700	H	81.8	Confident	82.3	Confident	78 Å²	78	69.2 Å²	69.2	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-80.5	-47.5	179	-53.3	-58.7	0	0	0	112.2	C680 C683 H696 Q697 R698 G702	C680-H700 PolarHBondContact SG-NE2 3.24Å; C683-H700 WeakPolarHBondContact CB-CE1 3.42Å; C683-H700 PolarHBondContact SG-CE1 3.17Å; C683-H700 PolarHBondContact SG-NE2 3.24Å; H696-H700 AromaticContact CD2-NE2 3.45Å; H696-H700 PolarHBondContact CD2-NE2 2.85Å; H696-H700 AromaticContact CE1-NE2 3.65Å; H696-H700 AromaticContact NE2-NE2 2.74Å; H696-H700 PolarHBondContact NE2-NE2 2.83Å; Q697-H700 PolarHBondContact O-N 3.35Å; R698-H700 VanDerWaalsContact C-N 3.33Å; H700-G702 PolarHBondContact O-N 3.37Å; H700-G702 VanDerWaalsContact O-N 3.11Å
701	T	80.1	Confident	82.5	Confident	79 Å²	79	70.3 Å²	70.3	49%	0.485	38%	0.375	S	S	.	.	S	Bend	trans	-71.9	-3.1	179.7	63.7	0	0	0	0	114.1	Q697 R698 E703	Q697-T701 PolarHBondContact O-N 2.85Å; Q697-T701 VanDerWaalsContact O-N 3.11Å; R698-T701 WeakPolarHBondContact CA-OG1 3.37Å; T701-E703 WeakPolarHBondContact CB-OE1 3.46Å; T701-E703 PolarHBondContact O-N 3.45Å; T701-E703 VanDerWaalsContact OG1-CD 3.28Å; T701-E703 WeakPolarHBondContact OG1-CG 3.19Å; T701-E703 PolarHBondContact OG1-OE1 3.31Å
702	G	79.1	Confident	82.5	Confident	37 Å²	37	69.5 Å²	69.5	38%	0.381	38%	0.379	S	S	.	.			trans	70.2	-8.5	-177.6	0	0	0	0	0	115.4	R698 H700	R698-G702 PolarHBondContact O-N 3.02Å; H700-G702 PolarHBondContact O-N 3.37Å; H700-G702 VanDerWaalsContact O-N 3.11Å
703	E	80.3	Confident	82.6	Confident	88 Å²	88	71.9 Å²	71.9	41%	0.411	39%	0.386	S	S	.	.			trans	-47.4	134.2	-171.8	-85.7	169.2	-114.2	0	0	114.8	R698 T701 P705	R698-E703 HydrophobicContact CB-CB 4.14Å; R698-E703 HydrophobicContact CG-CB 4.03Å; R698-E703 IonicContact NE-OE2 3.87Å; T701-E703 WeakPolarHBondContact CB-OE1 3.46Å; T701-E703 PolarHBondContact O-N 3.45Å; T701-E703 VanDerWaalsContact OG1-CD 3.28Å; T701-E703 WeakPolarHBondContact OG1-CG 3.19Å; T701-E703 PolarHBondContact OG1-OE1 3.31Å; E703-P705 HydrophobicContact CB-CG 4.41Å
704	K	83.5	Confident	82.5	Confident	126 Å²	126	72.1 Å²	72.1	55%	0.548	39%	0.393	S	S	.	.			trans	-131.1	68.3	177.3	-73.8	162	177.9	173.8	0	111.3	Y706 G714 F715	K704-Y706 PolarHBondContact O-N 3.21Å; K704-G714 WeakPolarHBondContact CD-O 3.28Å; K704-F715 CarbonylContact C-O 3.3Å; K704-F715 VanDerWaalsContact CA-O 3.29Å; K704-F715 WeakPolarHBondContact CA-O 3.34Å
705	P	83.6	Confident	82.6	Confident	67 Å²	67	68.1 Å²	68.1	44%	0.435	38%	0.379	S	S	.	.			trans	-68.3	-6.9	-170.5	-20.2	35	0	0	0	115.3	E703	E703-P705 HydrophobicContact CB-CG 4.41Å
706	Y	83.3	Confident	82.6	Confident	89 Å²	89	68.8 Å²	68.8	35%	0.349	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	89.9	-177.7	-53.1	-80.4	0	0	0	109.7	K704 F715 G718	K704-Y706 PolarHBondContact O-N 3.21Å; Y706-F715 WeakPolarHBondContact CD2-O 3.34Å; Y706-F715 PolarHBondContact N-O 3.23Å; Y706-F715 VanDerWaalsContact N-O 3.14Å; Y706-F715 PolarHBondContact O-N 3.46Å; Y706-G718 VanDerWaalsContact CD2-N 3.29Å
707	T	80.8	Confident	82.4	Confident	94 Å²	94	72.5 Å²	72.5	58%	0.577	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	146.1	177.8	45.9	0	0	0	0	112.2	L721	T707-L721 WeakPolarHBondContact O-CD2 3.29Å
708	C	88.2	Confident	82.2	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.014	39%	0.389	C	S	.	.			trans	-86.5	121.6	169.8	-176.1	0	0	0	0	110.1	E710 C711 G712 K713 L721	C708-E710 VanDerWaalsContact C-N 3.29Å; C708-E710 PolarHBondContact O-N 2.98Å; C708-C711 VanDerWaalsContact SG-SG 3.69Å; C708-G712 VanDerWaalsContact O-CA 3.24Å; C708-G712 WeakPolarHBondContact O-CA 3.42Å; C708-G712 PolarHBondContact O-N 3.32Å; C708-K713 PolarHBondContact N-O 3.29Å; C708-L721 HydrophobicContact CB-CD1 3.66Å
709	C	82.9	Confident	82.1	Confident	105 Å²	105	72.2 Å²	72.2	71%	0.709	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-30.9	175.5	45.3	0	0	0	0	113.5	K725	C709-K725 PolarHBondContact SG-NZ 3.06Å
710	E	81.3	Confident	82.2	Confident	91 Å²	91	69.4 Å²	69.4	43%	0.425	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-19.4	-175.7	-63.8	128	-113.9	0	0	113.8	C708 K725 H728	C708-E710 VanDerWaalsContact C-N 3.29Å; C708-E710 PolarHBondContact O-N 2.98Å; E710-K725 IonicContact OE1-NZ 3.79Å; E710-K725 PolarHBondContact OE1-NZ 3.39Å; E710-H728 VanDerWaalsContact OE2-CB 3.31Å; E710-H728 WeakPolarHBondContact OE2-CB 3.44Å; E710-H728 IonicContact OE2-CD2 2.67Å; E710-H728 PolarHBondContact OE2-CD2 2.89Å; E710-H728 IonicContact OE2-CG 3.68Å
711	C	84.3	Confident	82.5	Confident	48 Å²	48	67 Å²	67	32%	0.324	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.6	11.3	-176	72.6	0	0	0	0	115.9	C708 K713 H724 H728	C708-C711 VanDerWaalsContact SG-SG 3.69Å; C711-K713 PolarHBondContact O-N 3.46Å; C711-H724 PolarHBondContact SG-NE2 3.03Å; C711-H728 PolarHBondContact SG-NE2 3.29Å
712	G	81.1	Confident	82.6	Confident	58 Å²	58	67.9 Å²	67.9	60%	0.598	39%	0.391	S	S	*	.			trans	69.1	-11.6	179.5	0	0	0	0	0	116.3	C708 G714	C708-G712 VanDerWaalsContact O-CA 3.24Å; C708-G712 WeakPolarHBondContact O-CA 3.42Å; C708-G712 PolarHBondContact O-N 3.32Å; G712-G714 PolarHBondContact O-N 3.46Å
713	K	84	Confident	82.8	Confident	124 Å²	124	67.5 Å²	67.5	54%	0.539	38%	0.382	S	S	.	.			trans	-63.6	122.1	-172	-70.2	176.3	-175.6	170.3	0	111.9	C708 C711 F715	C708-K713 PolarHBondContact N-O 3.29Å; C711-K713 PolarHBondContact O-N 3.46Å; K713-F715 HydrophobicContact CB-CE2 3.83Å; K713-F715 HydrophobicContact CB-CZ 4.17Å; K713-F715 VanDerWaalsContact O-CD2 3.3Å; K713-F715 WeakPolarHBondContact O-CD2 3.28Å; K713-F715 WeakPolarHBondContact O-CE2 3.41Å
714	G	84.5	Confident	83	Confident	25 Å²	25	64.5 Å²	64.5	26%	0.258	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.5	178.1	0	0	0	0	0	113.7	K704 G712	K704-G714 WeakPolarHBondContact CD-O 3.28Å; G712-G714 PolarHBondContact O-N 3.46Å
715	F	83.1	Confident	83	Confident	50 Å²	50	61.8 Å²	61.8	22%	0.219	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.6	178.7	-62.9	-92.2	0	0	0	111.8	K704 Y706 K713 Y717 L721 H724	K704-F715 CarbonylContact C-O 3.3Å; K704-F715 VanDerWaalsContact CA-O 3.29Å; K704-F715 WeakPolarHBondContact CA-O 3.34Å; Y706-F715 WeakPolarHBondContact CD2-O 3.34Å; Y706-F715 PolarHBondContact N-O 3.23Å; Y706-F715 VanDerWaalsContact N-O 3.14Å; Y706-F715 PolarHBondContact O-N 3.46Å; K713-F715 HydrophobicContact CB-CE2 3.83Å; K713-F715 HydrophobicContact CB-CZ 4.17Å; K713-F715 VanDerWaalsContact O-CD2 3.3Å; K713-F715 WeakPolarHBondContact O-CD2 3.28Å; K713-F715 WeakPolarHBondContact O-CE2 3.41Å; F715-Y717 VanDerWaalsContact C-N 3.32Å; F715-L721 HydrophobicContact CB-CB 4.29Å; F715-L721 HydrophobicContact CD2-CB 4.09Å; F715-L721 HydrophobicContact CD2-CD1 4.07Å; F715-L721 HydrophobicContact CE2-CD1 4.36Å; F715-L721 HydrophobicContact CG-CB 4.3Å; F715-H724 HydrophobicContact CE1-CB 3.96Å; F715-H724 HydrophobicContact CE2-CB 3.93Å; F715-H724 AromaticContact CE2-CD2 3.27Å; F715-H724 WeakPolarHBondContact CE2-CD2 3.48Å; F715-H724 AromaticContact CE2-CG 3.78Å; F715-H724 HydrophobicContact CZ-CB 3.49Å; F715-H724 VanDerWaalsContact CZ-CB 3.49Å; F715-H724 AromaticContact CZ-CD2 3.23Å; F715-H724 WeakPolarHBondContact CZ-CD2 3.35Å; F715-H724 AromaticContact CZ-CG 3.32Å; F715-H724 AromaticContact CZ-NE2 3.96Å
716	R	79.7	Confident	83.2	Confident	59 Å²	59	59.5 Å²	59.5	22%	0.223	34%	0.339	C	S	.	.	S	Bend	trans	-74.3	-20.9	177.2	-176.7	168.6	-72.6	130.8	167.4	113.6	R698	R698-R716 VanDerWaalsContact C-NE 3.29Å; R698-R716 HydrophobicContact CB-CG 3.8Å; R698-R716 PolarHBondContact NH1-O 2.89Å; R698-R716 PolarHBondContact O-NE 3.03Å; R698-R716 PolarHBondContact O-NH1 3.28Å
717	Y	80.4	Confident	83.2	Confident	99 Å²	99	59.9 Å²	59.9	39%	0.388	35%	0.351	S	S	.	.	S	Bend	trans	-135.7	138	-176.3	-52.1	-85	0	0	0	110.8	T695 F715 S719 G720 L721	T695-Y717 HydrophobicContact CG2-CE1 4.38Å; F715-Y717 VanDerWaalsContact C-N 3.32Å; Y717-S719 VanDerWaalsContact C-N 3.27Å; Y717-S719 PolarHBondContact O-N 2.87Å; Y717-G720 WeakPolarHBondContact O-CA 3.15Å; Y717-G720 PolarHBondContact O-N 3.44Å; Y717-L721 PolarHBondContact O-N 3.36Å
718	G	80.8	Confident	83.2	Confident	30 Å²	30	59.3 Å²	59.3	31%	0.309	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-30.1	177.7	0	0	0	0	0	113.8	Y706 G720 L721 L722	Y706-G718 VanDerWaalsContact CD2-N 3.29Å; G718-G720 VanDerWaalsContact C-N 3.27Å; G718-G720 PolarHBondContact O-N 3.17Å; G718-L721 PolarHBondContact O-N 3.17Å; G718-L722 WeakPolarHBondContact O-CB 3.41Å; G718-L722 PolarHBondContact O-N 3.42Å
719	S	81.8	Confident	82.9	Confident	83 Å²	83	63 Å²	63	58%	0.58	36%	0.364	S	S	*	.	H	α-helix	trans	-65.1	-29.5	171	52.6	0	0	0	0	113	Y717 S723	Y717-S719 VanDerWaalsContact C-N 3.27Å; Y717-S719 PolarHBondContact O-N 2.87Å; S719-S723 VanDerWaalsContact O-CB 3.27Å; S719-S723 WeakPolarHBondContact O-CB 3.45Å; S719-S723 PolarHBondContact O-N 3.18Å; S719-S723 PolarHBondContact O-OG 3.42Å
720	G	82.4	Confident	82.8	Confident	26 Å²	26	60.3 Å²	60.3	27%	0.268	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-47	171.6	0	0	0	0	0	111.6	Y717 G718 S723 H724	Y717-G720 WeakPolarHBondContact O-CA 3.15Å; Y717-G720 PolarHBondContact O-N 3.44Å; G718-G720 VanDerWaalsContact C-N 3.27Å; G718-G720 PolarHBondContact O-N 3.17Å; G720-S723 PolarHBondContact O-N 3.32Å; G720-H724 WeakPolarHBondContact O-CB 3.34Å; G720-H724 PolarHBondContact O-N 3.36Å
721	L	86.5	Confident	82.7	Confident	27 Å²	27	60.6 Å²	60.6	14%	0.141	36%	0.355	C	S	.	.	H	α-helix	trans	-60.2	-46.4	174.2	174	60.2	0	0	0	111.9	T707 C708 F715 Y717 G718 S723 H724 K725	T707-L721 WeakPolarHBondContact O-CD2 3.29Å; C708-L721 HydrophobicContact CB-CD1 3.66Å; F715-L721 HydrophobicContact CB-CB 4.29Å; F715-L721 HydrophobicContact CD2-CB 4.09Å; F715-L721 HydrophobicContact CD2-CD1 4.07Å; F715-L721 HydrophobicContact CE2-CD1 4.36Å; F715-L721 HydrophobicContact CG-CB 4.3Å; Y717-L721 PolarHBondContact O-N 3.36Å; G718-L721 PolarHBondContact O-N 3.17Å; L721-S723 VanDerWaalsContact C-N 3.35Å; L721-S723 PolarHBondContact O-N 3.01Å; L721-H724 CarbonylContact O-C 3.36Å; L721-H724 WeakPolarHBondContact O-CA 3.28Å; L721-H724 WeakPolarHBondContact O-CB 3.48Å; L721-H724 PolarHBondContact O-N 3.2Å; L721-K725 HydrophobicContact CD1-CG 4.46Å; L721-K725 PolarHBondContact O-N 3.32Å
722	L	83.1	Confident	82.8	Confident	97 Å²	97	64.5 Å²	64.5	51%	0.508	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-40.8	178.1	-176.3	63.5	0	0	0	112	G718 H724	G718-L722 WeakPolarHBondContact O-CB 3.41Å; G718-L722 PolarHBondContact O-N 3.42Å; L722-H724 PolarHBondContact O-N 2.63Å
723	S	82.7	Confident	82.9	Confident	29 Å²	29	64.8 Å²	64.8	20%	0.203	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-21.6	174.3	-57.1	0	0	0	0	112.9	S719 G720 L721	S719-S723 VanDerWaalsContact O-CB 3.27Å; S719-S723 WeakPolarHBondContact O-CB 3.45Å; S719-S723 PolarHBondContact O-N 3.18Å; S719-S723 PolarHBondContact O-OG 3.42Å; G720-S723 PolarHBondContact O-N 3.32Å; L721-S723 VanDerWaalsContact C-N 3.35Å; L721-S723 PolarHBondContact O-N 3.01Å
724	H	85.5	Confident	83	Confident	25 Å²	25	62.2 Å²	62.2	12%	0.116	35%	0.345	C	S	.	.	H	α-helix	trans	-84.3	-38.4	175.6	-179.2	44.1	0	0	0	113.2	C711 F715 G720 L721 L722 R726 V727 H728	C711-H724 PolarHBondContact SG-NE2 3.03Å; F715-H724 HydrophobicContact CE1-CB 3.96Å; F715-H724 HydrophobicContact CE2-CB 3.93Å; F715-H724 AromaticContact CE2-CD2 3.27Å; F715-H724 WeakPolarHBondContact CE2-CD2 3.48Å; F715-H724 AromaticContact CE2-CG 3.78Å; F715-H724 HydrophobicContact CZ-CB 3.49Å; F715-H724 VanDerWaalsContact CZ-CB 3.49Å; F715-H724 AromaticContact CZ-CD2 3.23Å; F715-H724 WeakPolarHBondContact CZ-CD2 3.35Å; F715-H724 AromaticContact CZ-CG 3.32Å; F715-H724 AromaticContact CZ-NE2 3.96Å; G720-H724 WeakPolarHBondContact O-CB 3.34Å; G720-H724 PolarHBondContact O-N 3.36Å; L721-H724 CarbonylContact O-C 3.36Å; L721-H724 WeakPolarHBondContact O-CA 3.28Å; L721-H724 WeakPolarHBondContact O-CB 3.48Å; L721-H724 PolarHBondContact O-N 3.2Å; L722-H724 PolarHBondContact O-N 2.63Å; H724-R726 PolarHBondContact O-N 2.7Å; H724-V727 WeakPolarHBondContact O-CA 3.49Å; H724-V727 WeakPolarHBondContact O-CB 3.41Å; H724-V727 WeakPolarHBondContact O-CG2 3.39Å; H724-V727 PolarHBondContact O-N 3.28Å; H724-H728 AromaticContact CE1-NE2 3.75Å; H724-H728 AromaticContact NE2-NE2 3.44Å; H724-H728 PolarHBondContact NE2-NE2 3.43Å
725	K	83.9	Confident	83	Confident	70 Å²	70	69.8 Å²	69.8	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-54.7	-35	174.6	-79.6	-171.6	169.5	-101.6	0	112.3	C709 E710 L721 V727 H728 T729	C709-K725 PolarHBondContact SG-NZ 3.06Å; E710-K725 IonicContact OE1-NZ 3.79Å; E710-K725 PolarHBondContact OE1-NZ 3.39Å; L721-K725 HydrophobicContact CD1-CG 4.46Å; L721-K725 PolarHBondContact O-N 3.32Å; K725-V727 PolarHBondContact O-N 3.12Å; K725-V727 VanDerWaalsContact O-N 3.09Å; K725-H728 WeakPolarHBondContact O-CA 3.42Å; K725-H728 WeakPolarHBondContact O-CB 3.35Å; K725-H728 PolarHBondContact O-N 2.83Å; K725-T729 PolarHBondContact O-N 3.47Å
726	R	86.2	Confident	83.3	Confident	19 Å²	19	67.5 Å²	67.5	7%	0.072	36%	0.356	C	S	.	.	H	α-helix	trans	-61.5	-12.8	172	-63.2	-177	-177.8	149.7	5.8	115.4	H724 G730 E731 S744	H724-R726 PolarHBondContact O-N 2.7Å; R726-G730 CarbonylContact O-C 3.58Å; R726-G730 WeakPolarHBondContact O-CA 3.21Å; R726-G730 PolarHBondContact O-N 2.93Å; R726-E731 HydrophobicContact CB-CB 4.07Å; R726-E731 HydrophobicContact CG-CB 3.92Å; R726-E731 IonicContact NE-OE2 3.54Å; R726-E731 PolarHBondContact O-N 2.85Å; R726-S744 WeakPolarHBondContact CD-O 3.31Å; R726-S744 PolarHBondContact NH1-O 3.13Å
727	V	83.4	Confident	83.4	Confident	97 Å²	97	72 Å²	72	59%	0.588	38%	0.38	S	S	*	.	H	α-helix	trans	-80.1	-33	171.1	-175.4	0	0	0	0	110.5	H724 K725	H724-V727 WeakPolarHBondContact O-CA 3.49Å; H724-V727 WeakPolarHBondContact O-CB 3.41Å; H724-V727 WeakPolarHBondContact O-CG2 3.39Å; H724-V727 PolarHBondContact O-N 3.28Å; K725-V727 PolarHBondContact O-N 3.12Å; K725-V727 VanDerWaalsContact O-N 3.09Å
728	H	82.3	Confident	83.6	Confident	82 Å²	82	72.3 Å²	72.3	38%	0.38	39%	0.391	S	S	.	.	H	α-helix	trans	-79.8	-45.1	175.2	-58.4	-55.7	0	0	0	111.7	E710 C711 H724 K725 G730	E710-H728 VanDerWaalsContact OE2-CB 3.31Å; E710-H728 WeakPolarHBondContact OE2-CB 3.44Å; E710-H728 IonicContact OE2-CD2 2.67Å; E710-H728 PolarHBondContact OE2-CD2 2.89Å; E710-H728 IonicContact OE2-CG 3.68Å; C711-H728 PolarHBondContact SG-NE2 3.29Å; H724-H728 AromaticContact CE1-NE2 3.75Å; H724-H728 AromaticContact NE2-NE2 3.44Å; H724-H728 PolarHBondContact NE2-NE2 3.43Å; K725-H728 WeakPolarHBondContact O-CA 3.42Å; K725-H728 WeakPolarHBondContact O-CB 3.35Å; K725-H728 PolarHBondContact O-N 2.83Å; H728-G730 PolarHBondContact O-N 3.37Å
729	T	81.1	Confident	83.9	Confident	79 Å²	79	73 Å²	73	49%	0.485	39%	0.391	S	S	.	.	S	Bend	trans	-78	-5.4	177.8	67.4	0	0	0	0	113.9	K725 E731	K725-T729 PolarHBondContact O-N 3.47Å; T729-E731 PolarHBondContact O-N 3.27Å; T729-E731 VanDerWaalsContact OG1-CD 3.29Å; T729-E731 WeakPolarHBondContact OG1-CG 3.37Å; T729-E731 PolarHBondContact OG1-OE1 3.14Å
730	G	79.9	Confident	83.9	Confident	48 Å²	48	71.5 Å²	71.5	50%	0.495	39%	0.388	S	S	.	.			trans	67.2	0.4	-176.5	0	0	0	0	0	115.3	R726 H728 K732	R726-G730 CarbonylContact O-C 3.58Å; R726-G730 WeakPolarHBondContact O-CA 3.21Å; R726-G730 PolarHBondContact O-N 2.93Å; H728-G730 PolarHBondContact O-N 3.37Å; G730-K732 PolarHBondContact O-N 3.17Å
731	E	80.6	Confident	84	Confident	97 Å²	97	76.2 Å²	76.2	45%	0.453	40%	0.402	S	S	.	.			trans	-54.7	127.7	-173.5	-88.4	170.8	-123.7	0	0	113.8	R726 T729 S744	R726-E731 HydrophobicContact CB-CB 4.07Å; R726-E731 HydrophobicContact CG-CB 3.92Å; R726-E731 IonicContact NE-OE2 3.54Å; R726-E731 PolarHBondContact O-N 2.85Å; T729-E731 PolarHBondContact O-N 3.27Å; T729-E731 VanDerWaalsContact OG1-CD 3.29Å; T729-E731 WeakPolarHBondContact OG1-CG 3.37Å; T729-E731 PolarHBondContact OG1-OE1 3.14Å; E731-S744 WeakPolarHBondContact O-CB 3.28Å
732	K	85.2	Confident	83.9	Confident	130 Å²	130	76.1 Å²	76.1	57%	0.565	41%	0.407	S	S	*	.			trans	-125.9	72.1	176.5	-74.1	160.2	178.5	171	0	110.8	G730 Y734 G742 Y743	G730-K732 PolarHBondContact O-N 3.17Å; K732-Y734 PolarHBondContact O-N 2.79Å; K732-G742 WeakPolarHBondContact CD-O 3.48Å; K732-G742 WeakPolarHBondContact CG-O 3.45Å; K732-Y743 CarbonylContact C-O 3.2Å; K732-Y743 WeakPolarHBondContact CA-O 3.43Å
733	P	84.6	Confident	84	Confident	65 Å²	65	74.1 Å²	74.1	42%	0.422	39%	0.393	S	S	.	.			trans	-65.6	-23.3	-174.9	-20.8	34.2	0	0	0	113.7	R735	P733-R735 PolarHBondContact O-N 3.19Å
734	Y	85.4	Confident	84	Confident	69 Å²	69	74.1 Å²	74.1	27%	0.271	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	88.5	-175.3	-51.5	-76	0	0	0	109.8	K732 Y743 S746	K732-Y734 PolarHBondContact O-N 2.79Å; Y734-Y743 WeakPolarHBondContact CD2-O 3.46Å; Y734-Y743 PolarHBondContact N-O 2.88Å; Y734-Y743 VanDerWaalsContact N-O 3.12Å; Y734-Y743 PolarHBondContact O-N 2.92Å; Y734-S746 VanDerWaalsContact CD2-N 3.29Å
735	R	84.5	Confident	83.9	Confident	184 Å²	184	76 Å²	76	69%	0.694	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.7	176.6	-64.1	-175.1	-178.1	-171.9	0.2	111.7	P733 H737	P733-R735 PolarHBondContact O-N 3.19Å; R735-H737 PolarHBondContact O-ND1 2.99Å
736	C	88.7	Confident	84	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.02	41%	0.405	C	S	.	.			trans	-74.1	127.6	170.1	-171.7	0	0	0	0	110.5	V738 G740 K741 L749 H756	C736-V738 VanDerWaalsContact C-N 3.3Å; C736-V738 PolarHBondContact O-N 3.21Å; C736-G740 WeakPolarHBondContact O-CA 3.38Å; C736-G740 PolarHBondContact O-N 3.05Å; C736-K741 PolarHBondContact N-O 3.36Å; C736-L749 HydrophobicContact CB-CD1 3.61Å; C736-H756 PolarHBondContact SG-NE2 3.15Å
737	H	83.4	Confident	83.8	Confident	154 Å²	154	77.7 Å²	77.7	71%	0.713	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.9	-178.2	-20.7	-54	0	0	0	112	R735 Q753	R735-H737 PolarHBondContact O-ND1 2.99Å; H737-Q753 PolarHBondContact NE2-NE2 3Å
738	V	84.1	Confident	83.8	Confident	104 Å²	104	77 Å²	77	63%	0.63	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-32.6	-174.9	-175.9	0	0	0	0	112.8	C736 H756	C736-V738 VanDerWaalsContact C-N 3.3Å; C736-V738 PolarHBondContact O-N 3.21Å; V738-H756 HydrophobicContact CG1-CB 4.32Å
739	C	86.3	Confident	84	Confident	45 Å²	45	73.7 Å²	73.7	30%	0.304	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	15.1	-174.5	72.6	0	0	0	0	114.9	K741 H752 H756	C739-K741 PolarHBondContact O-N 3Å; C739-H752 PolarHBondContact SG-NE2 3.3Å; C739-H756 WeakPolarHBondContact CB-CE1 3.18Å; C739-H756 PolarHBondContact SG-CE1 2.88Å; C739-H756 PolarHBondContact SG-NE2 3.2Å
740	G	82.1	Confident	84.1	Confident	51 Å²	51	75 Å²	75	53%	0.526	40%	0.401	S	S	.	.			trans	68.9	-18.3	178.2	0	0	0	0	0	116.6	C736 G742	C736-G740 WeakPolarHBondContact O-CA 3.38Å; C736-G740 PolarHBondContact O-N 3.05Å; G740-G742 PolarHBondContact O-N 3.1Å
741	K	85.3	Confident	84.1	Confident	126 Å²	126	73.4 Å²	73.4	55%	0.548	39%	0.385	S	S	.	.			trans	-55.8	122.5	-171.6	-70.4	-178.7	-178.6	177.4	0	111.9	C736 C739 Y743	C736-K741 PolarHBondContact N-O 3.36Å; C739-K741 PolarHBondContact O-N 3Å; K741-Y743 HydrophobicContact CB-CE2 3.87Å; K741-Y743 WeakPolarHBondContact O-CD2 3.32Å; K741-Y743 WeakPolarHBondContact O-CE2 3.49Å
742	G	84.5	Confident	84.3	Confident	24 Å²	24	69.7 Å²	69.7	25%	0.247	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.3	-177.2	0	0	0	0	0	113.6	K732 G740	K732-G742 WeakPolarHBondContact CD-O 3.48Å; K732-G742 WeakPolarHBondContact CG-O 3.45Å; G740-G742 PolarHBondContact O-N 3.1Å
743	Y	84.9	Confident	84.2	Confident	55 Å²	55	65.5 Å²	65.5	22%	0.216	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.8	-179.7	-60.1	-88.2	0	0	0	111.3	K732 Y734 K741 Q745 H748 L749 H752	K732-Y743 CarbonylContact C-O 3.2Å; K732-Y743 WeakPolarHBondContact CA-O 3.43Å; Y734-Y743 WeakPolarHBondContact CD2-O 3.46Å; Y734-Y743 PolarHBondContact N-O 2.88Å; Y734-Y743 VanDerWaalsContact N-O 3.12Å; Y734-Y743 PolarHBondContact O-N 2.92Å; K741-Y743 HydrophobicContact CB-CE2 3.87Å; K741-Y743 WeakPolarHBondContact O-CD2 3.32Å; K741-Y743 WeakPolarHBondContact O-CE2 3.49Å; Y743-Q745 VanDerWaalsContact C-N 3.32Å; Y743-H748 HydrophobicContact CD1-CB 3.78Å; Y743-H748 HydrophobicContact CG-CB 4.23Å; Y743-L749 HydrophobicContact CD2-CB 3.99Å; Y743-L749 HydrophobicContact CD2-CD1 4.02Å; Y743-L749 HydrophobicContact CE2-CD1 4.27Å; Y743-L749 HydrophobicContact CG-CB 4.34Å; Y743-H752 HydrophobicContact CE1-CB 4.43Å; Y743-H752 HydrophobicContact CE2-CB 4.18Å; Y743-H752 AromaticContact CE2-CD2 3.41Å; Y743-H752 VanDerWaalsContact CE2-CD2 3.41Å; Y743-H752 WeakPolarHBondContact CE2-CD2 3.39Å; Y743-H752 AromaticContact CE2-CG 3.95Å; Y743-H752 AromaticContact CZ-CD2 3.57Å; Y743-H752 AromaticContact CZ-CG 3.69Å; Y743-H752 PolarHBondContact OH-CD2 2.93Å
744	S	82.4	Confident	84.1	Confident	29 Å²	29	65.8 Å²	65.8	20%	0.203	34%	0.343	C	S	.	.	S	Bend	trans	-78.8	-13.5	177.3	54.8	0	0	0	0	113.9	R726 E731	R726-S744 WeakPolarHBondContact CD-O 3.31Å; R726-S744 PolarHBondContact NH1-O 3.13Å; E731-S744 WeakPolarHBondContact O-CB 3.28Å
745	Q	83.9	Confident	83.9	Confident	64 Å²	64	67.7 Å²	67.7	30%	0.299	36%	0.361	S	S	.	.	S	Bend	trans	-136.3	138.5	179.8	-57.7	-178.1	19.3	0	0	111.5	Y743 S747 H748 L749	Y743-Q745 VanDerWaalsContact C-N 3.32Å; Q745-S747 VanDerWaalsContact C-N 3.31Å; Q745-S747 PolarHBondContact O-N 3.3Å; Q745-S747 PolarHBondContact OE1-OG 2.87Å; Q745-H748 PolarHBondContact O-N 3.03Å; Q745-H748 VanDerWaalsContact O-N 3.13Å; Q745-L749 PolarHBondContact O-N 3.4Å
746	S	84.6	Confident	83.8	Confident	54 Å²	54	62.9 Å²	62.9	38%	0.378	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-37.3	179.8	-179.8	0	0	0	0	112.8	Y734 H748 L749 Q750	Y734-S746 VanDerWaalsContact CD2-N 3.29Å; S746-H748 PolarHBondContact O-N 3.39Å; S746-L749 PolarHBondContact O-N 3.27Å; S746-L749 VanDerWaalsContact O-N 3.13Å; S746-Q750 WeakPolarHBondContact O-CB 3.2Å; S746-Q750 WeakPolarHBondContact O-CG 3.41Å; S746-Q750 PolarHBondContact O-N 2.88Å
747	S	83	Confident	83.3	Confident	71 Å²	71	66.8 Å²	66.8	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-55.3	-36.2	174	48	0	0	0	0	113.4	Q745 G751	Q745-S747 VanDerWaalsContact C-N 3.31Å; Q745-S747 PolarHBondContact O-N 3.3Å; Q745-S747 PolarHBondContact OE1-OG 2.87Å; S747-G751 PolarHBondContact O-N 3.41Å
748	H	83.9	Confident	83	Confident	83 Å²	83	61.7 Å²	61.7	38%	0.384	36%	0.36	S	S	.	.	H	α-helix	trans	-77.6	-35	177.9	-62.6	156.2	0	0	0	112.4	Y743 Q745 S746 G751 H752	Y743-H748 HydrophobicContact CD1-CB 3.78Å; Y743-H748 HydrophobicContact CG-CB 4.23Å; Q745-H748 PolarHBondContact O-N 3.03Å; Q745-H748 VanDerWaalsContact O-N 3.13Å; S746-H748 PolarHBondContact O-N 3.39Å; H748-G751 CarbonylContact O-C 3.49Å; H748-H752 VanDerWaalsContact O-CB 3.29Å; H748-H752 WeakPolarHBondContact O-CB 3.47Å; H748-H752 PolarHBondContact O-N 3.05Å; H748-H752 VanDerWaalsContact O-N 3.12Å
749	L	85.5	Confident	82.7	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-49.8	170.7	172.7	59.5	0	0	0	110.9	C736 Y743 Q745 S746 G751 H752 Q753	C736-L749 HydrophobicContact CB-CD1 3.61Å; Y743-L749 HydrophobicContact CD2-CB 3.99Å; Y743-L749 HydrophobicContact CD2-CD1 4.02Å; Y743-L749 HydrophobicContact CE2-CD1 4.27Å; Y743-L749 HydrophobicContact CG-CB 4.34Å; Q745-L749 PolarHBondContact O-N 3.4Å; S746-L749 PolarHBondContact O-N 3.27Å; S746-L749 VanDerWaalsContact O-N 3.13Å; L749-G751 PolarHBondContact O-N 3.19Å; L749-H752 CarbonylContact O-C 3.45Å; L749-H752 WeakPolarHBondContact O-CA 3.21Å; L749-H752 WeakPolarHBondContact O-CB 3.42Å; L749-H752 PolarHBondContact O-N 3.49Å; L749-Q753 HydrophobicContact CD1-CG 3.96Å; L749-Q753 HydrophobicContact CG-CG 4.31Å; L749-Q753 WeakPolarHBondContact O-CG 3.44Å; L749-Q753 PolarHBondContact O-N 3.24Å
750	Q	82.6	Confident	82.5	Confident	107 Å²	107	65.4 Å²	65.4	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-45.9	176.9	-74.7	-77.8	-47	0	0	111.8	S746 H752 Q753	S746-Q750 WeakPolarHBondContact O-CB 3.2Å; S746-Q750 WeakPolarHBondContact O-CG 3.41Å; S746-Q750 PolarHBondContact O-N 2.88Å; Q750-H752 PolarHBondContact O-N 3.3Å; Q750-H752 VanDerWaalsContact O-N 3.13Å; Q750-Q753 PolarHBondContact O-N 3.29Å
751	G	81.2	Confident	82.5	Confident	15 Å²	15	66.3 Å²	66.3	16%	0.155	36%	0.36	C	S	.	.	H	α-helix	trans	-71.6	5	172.9	0	0	0	0	0	115.4	S747 H748 L749 R773	S747-G751 PolarHBondContact O-N 3.41Å; H748-G751 CarbonylContact O-C 3.49Å; L749-G751 PolarHBondContact O-N 3.19Å; G751-R773 PolarHBondContact O-NH2 2.97Å
752	H	84.3	Confident	82.4	Confident	19 Å²	19	63.9 Å²	63.9	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-113.9	-33.6	169.9	166.3	51.9	0	0	0	112	C739 Y743 H748 L749 Q750 R754 V755 H756	C739-H752 PolarHBondContact SG-NE2 3.3Å; Y743-H752 HydrophobicContact CE1-CB 4.43Å; Y743-H752 HydrophobicContact CE2-CB 4.18Å; Y743-H752 AromaticContact CE2-CD2 3.41Å; Y743-H752 VanDerWaalsContact CE2-CD2 3.41Å; Y743-H752 WeakPolarHBondContact CE2-CD2 3.39Å; Y743-H752 AromaticContact CE2-CG 3.95Å; Y743-H752 AromaticContact CZ-CD2 3.57Å; Y743-H752 AromaticContact CZ-CG 3.69Å; Y743-H752 PolarHBondContact OH-CD2 2.93Å; H748-H752 VanDerWaalsContact O-CB 3.29Å; H748-H752 WeakPolarHBondContact O-CB 3.47Å; H748-H752 PolarHBondContact O-N 3.05Å; H748-H752 VanDerWaalsContact O-N 3.12Å; L749-H752 CarbonylContact O-C 3.45Å; L749-H752 WeakPolarHBondContact O-CA 3.21Å; L749-H752 WeakPolarHBondContact O-CB 3.42Å; L749-H752 PolarHBondContact O-N 3.49Å; Q750-H752 PolarHBondContact O-N 3.3Å; Q750-H752 VanDerWaalsContact O-N 3.13Å; H752-R754 PolarHBondContact O-N 3.27Å; H752-V755 WeakPolarHBondContact O-CB 3.35Å; H752-V755 WeakPolarHBondContact O-CG2 3.43Å; H752-V755 PolarHBondContact O-N 3.21Å; H752-H756 AromaticContact CD2-NE2 3.34Å; H752-H756 PolarHBondContact CD2-NE2 3.4Å; H752-H756 VanDerWaalsContact CD2-NE2 3.34Å; H752-H756 AromaticContact CE1-CE1 3.98Å; H752-H756 AromaticContact CE1-NE2 2.82Å; H752-H756 PolarHBondContact CE1-NE2 3.02Å; H752-H756 AromaticContact ND1-NE2 3.9Å; H752-H756 AromaticContact NE2-CD2 3.93Å; H752-H756 AromaticContact NE2-NE2 2.32Å; H752-H756 PolarHBondContact NE2-NE2 3.49Å
753	Q	82.7	Confident	82.3	Confident	42 Å²	42	69.3 Å²	69.3	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-56.5	-33.6	175.1	-75.2	169.8	-66	0	0	111.9	H737 L749 Q750 V755 H756 T757	H737-Q753 PolarHBondContact NE2-NE2 3Å; L749-Q753 HydrophobicContact CD1-CG 3.96Å; L749-Q753 HydrophobicContact CG-CG 4.31Å; L749-Q753 WeakPolarHBondContact O-CG 3.44Å; L749-Q753 PolarHBondContact O-N 3.24Å; Q750-Q753 PolarHBondContact O-N 3.29Å; Q753-V755 PolarHBondContact O-N 3.18Å; Q753-V755 VanDerWaalsContact O-N 3.14Å; Q753-H756 WeakPolarHBondContact O-CB 3.42Å; Q753-H756 PolarHBondContact O-N 2.81Å; Q753-T757 PolarHBondContact O-N 3.44Å; Q753-T757 VanDerWaalsContact O-N 3.08Å
754	R	83.2	Confident	82.4	Confident	71 Å²	71	66.7 Å²	66.7	27%	0.268	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-17.4	170.4	-64.8	-176.5	-179.6	162.6	2	115.8	H752 T757 G758 E759 G772	H752-R754 PolarHBondContact O-N 3.27Å; R754-T757 WeakPolarHBondContact CA-OG1 3.22Å; R754-G758 CarbonylContact O-C 3.57Å; R754-G758 PolarHBondContact O-N 2.9Å; R754-E759 HydrophobicContact CB-CB 4.15Å; R754-E759 HydrophobicContact CG-CB 4.01Å; R754-E759 IonicContact NE-OE2 3.11Å; R754-E759 PolarHBondContact O-N 3.04Å; R754-G772 PolarHBondContact NH1-O 2.93Å
755	V	81.9	Confident	82.4	Confident	108 Å²	108	73.8 Å²	73.8	66%	0.655	39%	0.385	S	S	*	.	H	α-helix	trans	-75.7	-31	172.6	-175.3	0	0	0	0	110.4	H752 Q753	H752-V755 WeakPolarHBondContact O-CB 3.35Å; H752-V755 WeakPolarHBondContact O-CG2 3.43Å; H752-V755 PolarHBondContact O-N 3.21Å; Q753-V755 PolarHBondContact O-N 3.18Å; Q753-V755 VanDerWaalsContact O-N 3.14Å
756	H	80.8	Confident	82.3	Confident	84 Å²	84	76.3 Å²	76.3	39%	0.389	40%	0.396	S	S	.	.	H	α-helix	trans	-83.8	-37.4	176.5	-57.5	-60.5	0	0	0	112.3	C736 V738 C739 H752 Q753 G758	C736-H756 PolarHBondContact SG-NE2 3.15Å; V738-H756 HydrophobicContact CG1-CB 4.32Å; C739-H756 WeakPolarHBondContact CB-CE1 3.18Å; C739-H756 PolarHBondContact SG-CE1 2.88Å; C739-H756 PolarHBondContact SG-NE2 3.2Å; H752-H756 AromaticContact CD2-NE2 3.34Å; H752-H756 PolarHBondContact CD2-NE2 3.4Å; H752-H756 VanDerWaalsContact CD2-NE2 3.34Å; H752-H756 AromaticContact CE1-CE1 3.98Å; H752-H756 AromaticContact CE1-NE2 2.82Å; H752-H756 PolarHBondContact CE1-NE2 3.02Å; H752-H756 AromaticContact ND1-NE2 3.9Å; H752-H756 AromaticContact NE2-CD2 3.93Å; H752-H756 AromaticContact NE2-NE2 2.32Å; H752-H756 PolarHBondContact NE2-NE2 3.49Å; Q753-H756 WeakPolarHBondContact O-CB 3.42Å; Q753-H756 PolarHBondContact O-N 2.81Å; H756-G758 VanDerWaalsContact C-N 3.29Å
757	T	79.2	Confident	82.3	Confident	84 Å²	84	76.1 Å²	76.1	52%	0.515	39%	0.394	S	S	.	.	S	Bend	trans	-82.4	-4	176.3	62.9	0	0	0	0	113.7	Q753 R754 E759	Q753-T757 PolarHBondContact O-N 3.44Å; Q753-T757 VanDerWaalsContact O-N 3.08Å; R754-T757 WeakPolarHBondContact CA-OG1 3.22Å; T757-E759 WeakPolarHBondContact CB-OE1 3.4Å; T757-E759 PolarHBondContact O-N 3.19Å; T757-E759 VanDerWaalsContact OG1-CD 3.26Å; T757-E759 WeakPolarHBondContact OG1-CG 3.16Å; T757-E759 PolarHBondContact OG1-OE1 2.98Å
758	G	76.9	Confident	82.2	Confident	48 Å²	48	75.3 Å²	75.3	50%	0.495	40%	0.397	S	S	.	.			trans	67.2	-1.2	-175.7	0	0	0	0	0	115.1	R754 H756 K760	R754-G758 CarbonylContact O-C 3.57Å; R754-G758 PolarHBondContact O-N 2.9Å; H756-G758 VanDerWaalsContact C-N 3.29Å; G758-K760 PolarHBondContact O-N 3.46Å
759	E	77.1	Confident	82.1	Confident	94 Å²	94	77.3 Å²	77.3	44%	0.439	41%	0.405	S	S	.	.			trans	-54.7	123	-173.8	-84.9	169.6	-118.4	0	0	113.2	R754 T757 P761	R754-E759 HydrophobicContact CB-CB 4.15Å; R754-E759 HydrophobicContact CG-CB 4.01Å; R754-E759 IonicContact NE-OE2 3.11Å; R754-E759 PolarHBondContact O-N 3.04Å; T757-E759 WeakPolarHBondContact CB-OE1 3.4Å; T757-E759 PolarHBondContact O-N 3.19Å; T757-E759 VanDerWaalsContact OG1-CD 3.26Å; T757-E759 WeakPolarHBondContact OG1-CG 3.16Å; T757-E759 PolarHBondContact OG1-OE1 2.98Å; E759-P761 HydrophobicContact CB-CG 4.47Å; E759-P761 WeakPolarHBondContact O-CD 3.28Å
760	K	82.1	Confident	81.9	Confident	132 Å²	132	77.9 Å²	77.9	57%	0.574	41%	0.414	S	S	*	.			trans	-122.6	72.3	175.1	-74.7	162.4	173.8	175.7	0	110.4	G758 Y762 G770 F771	G758-K760 PolarHBondContact O-N 3.46Å; K760-Y762 PolarHBondContact O-N 3.07Å; K760-Y762 VanDerWaalsContact O-N 3.15Å; K760-G770 VanDerWaalsContact CD-O 3.3Å; K760-G770 WeakPolarHBondContact CD-O 3.48Å; K760-G770 WeakPolarHBondContact CG-O 3.35Å; K760-F771 CarbonylContact C-O 3.55Å; K760-F771 WeakPolarHBondContact CA-O 3.24Å
761	P	82.8	Confident	81.9	Confident	70 Å²	70	75 Å²	75	46%	0.455	40%	0.4	S	S	.	.			trans	-68.8	-13	-172.3	-19.4	33.9	0	0	0	114.5	E759	E759-P761 HydrophobicContact CB-CG 4.47Å; E759-P761 WeakPolarHBondContact O-CD 3.28Å
762	Y	82.3	Confident	81.7	Confident	75 Å²	75	75.5 Å²	75.5	29%	0.294	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	94.1	-176.9	-50.8	-77	0	0	0	108.7	K760 F771 N774	K760-Y762 PolarHBondContact O-N 3.07Å; K760-Y762 VanDerWaalsContact O-N 3.15Å; Y762-F771 WeakPolarHBondContact CD2-O 3.45Å; Y762-F771 PolarHBondContact N-O 3.39Å; Y762-F771 PolarHBondContact O-N 3.02Å; Y762-N774 HydrophobicContact CD1-CB 3.73Å; Y762-N774 HydrophobicContact CD2-CB 4.36Å; Y762-N774 HydrophobicContact CE1-CB 3.7Å; Y762-N774 HydrophobicContact CE2-CB 4.31Å; Y762-N774 HydrophobicContact CG-CB 4.08Å
763	K	82.8	Confident	81.4	Confident	138 Å²	138	80.5 Å²	80.5	60%	0.6	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	150.8	174.4	-63.6	-176.4	-178.7	-178.6	0	110.4	K769 L777	K763-K769 CarbonylContact C-O 3.59Å; K763-L777 VanDerWaalsContact O-CD2 3.22Å; K763-L777 WeakPolarHBondContact O-CD2 3.23Å
764	C	86.7	Confident	81.3	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.007	44%	0.436	C	S	.	.			trans	-90.4	121.4	167.2	176.9	0	0	0	0	108.7	E766 G768 K769 L777 H784	C764-E766 VanDerWaalsContact C-N 3.29Å; C764-E766 PolarHBondContact O-N 3.34Å; C764-G768 WeakPolarHBondContact O-CA 3.48Å; C764-G768 PolarHBondContact O-N 2.96Å; C764-K769 PolarHBondContact N-O 2.92Å; C764-L777 HydrophobicContact CB-CD1 3.57Å; C764-H784 PolarHBondContact SG-NE2 3.09Å; C764-H784 VanDerWaalsContact SG-NE2 3.39Å
765	E	84	Confident	81.2	Confident	178 Å²	178	83 Å²	83	83%	0.832	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.8	178.6	-52.3	-53	139.9	0	0	111.8	C767	E765-C767 PolarHBondContact O-N 3.33Å
766	E	81.5	Confident	81.2	Confident	116 Å²	116	80.7 Å²	80.7	54%	0.542	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-21.7	-175	-62	162.5	120.4	0	0	113.9	C764 H784	C764-E766 VanDerWaalsContact C-N 3.29Å; C764-E766 PolarHBondContact O-N 3.34Å; E766-H784 IonicContact OE2-CD2 2.75Å; E766-H784 PolarHBondContact OE2-CD2 2.92Å; E766-H784 IonicContact OE2-CG 3.81Å
767	C	84.1	Confident	81.3	Confident	50 Å²	50	77.4 Å²	77.4	34%	0.338	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151	19.2	-179.9	81.6	0	0	0	0	115.4	E765 K769 H780 H784	E765-C767 PolarHBondContact O-N 3.33Å; C767-K769 PolarHBondContact O-N 3.4Å; C767-H780 PolarHBondContact SG-NE2 3.29Å; C767-H784 VanDerWaalsContact SG-CE1 3.59Å; C767-H784 PolarHBondContact SG-NE2 3.19Å; C767-H784 VanDerWaalsContact SG-NE2 3.42Å
768	G	80.2	Confident	81.4	Confident	54 Å²	54	78.7 Å²	78.7	56%	0.557	42%	0.422	S	S	*	.			trans	66.7	-10.7	176.7	0	0	0	0	0	117.3	C764 G770	C764-G768 WeakPolarHBondContact O-CA 3.48Å; C764-G768 PolarHBondContact O-N 2.96Å; G768-G770 PolarHBondContact O-N 3.35Å
769	K	82.4	Confident	81.5	Confident	125 Å²	125	79.7 Å²	79.7	54%	0.543	42%	0.418	S	S	.	.			trans	-63.2	122.2	-170.5	-73.9	176.9	-174	170	0	111.6	K763 C764 C767 F771	K763-K769 CarbonylContact C-O 3.59Å; C764-K769 PolarHBondContact N-O 2.92Å; C767-K769 PolarHBondContact O-N 3.4Å; K769-F771 HydrophobicContact CB-CE2 3.82Å; K769-F771 HydrophobicContact CB-CZ 4.04Å; K769-F771 VanDerWaalsContact O-CD2 3.32Å; K769-F771 WeakPolarHBondContact O-CD2 3.41Å; K769-F771 WeakPolarHBondContact O-CE2 3.34Å
770	G	81.8	Confident	81.7	Confident	24 Å²	24	76.4 Å²	76.4	25%	0.247	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.1	-179	0	0	0	0	0	113.8	K760 G768	K760-G770 VanDerWaalsContact CD-O 3.3Å; K760-G770 WeakPolarHBondContact CD-O 3.48Å; K760-G770 WeakPolarHBondContact CG-O 3.35Å; G768-G770 PolarHBondContact O-N 3.35Å
771	F	81.2	Confident	81.7	Confident	48 Å²	48	73.4 Å²	73.4	21%	0.211	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.4	-179.7	-58.4	-90.6	0	0	0	111.7	K760 Y762 K769 R773 C776 L777 H780	K760-F771 CarbonylContact C-O 3.55Å; K760-F771 WeakPolarHBondContact CA-O 3.24Å; Y762-F771 WeakPolarHBondContact CD2-O 3.45Å; Y762-F771 PolarHBondContact N-O 3.39Å; Y762-F771 PolarHBondContact O-N 3.02Å; K769-F771 HydrophobicContact CB-CE2 3.82Å; K769-F771 HydrophobicContact CB-CZ 4.04Å; K769-F771 VanDerWaalsContact O-CD2 3.32Å; K769-F771 WeakPolarHBondContact O-CD2 3.41Å; K769-F771 WeakPolarHBondContact O-CE2 3.34Å; F771-R773 VanDerWaalsContact C-N 3.28Å; F771-R773 PolarHBondContact O-N 3.39Å; F771-C776 HydrophobicContact CB-CB 4.05Å; F771-C776 HydrophobicContact CD1-CB 3.73Å; F771-C776 HydrophobicContact CG-CB 4.13Å; F771-L777 HydrophobicContact CB-CB 4.45Å; F771-L777 HydrophobicContact CD2-CB 3.98Å; F771-L777 HydrophobicContact CD2-CD1 4.14Å; F771-L777 HydrophobicContact CE2-CD1 4.3Å; F771-L777 HydrophobicContact CG-CB 4.39Å; F771-H780 HydrophobicContact CE1-CB 4.21Å; F771-H780 HydrophobicContact CE2-CB 4.04Å; F771-H780 AromaticContact CE2-CD2 3.3Å; F771-H780 WeakPolarHBondContact CE2-CD2 3.42Å; F771-H780 AromaticContact CE2-CG 3.85Å; F771-H780 HydrophobicContact CZ-CB 3.62Å; F771-H780 AromaticContact CZ-CD2 3.31Å; F771-H780 WeakPolarHBondContact CZ-CD2 3.41Å; F771-H780 AromaticContact CZ-CG 3.45Å; F771-H780 VanDerWaalsContact CZ-CG 3.45Å
772	G	77.3	Confident	81.7	Confident	24 Å²	24	72.3 Å²	72.3	25%	0.247	38%	0.377	C	S	.	.	S	Bend	trans	-75.5	-10.4	176.8	0	0	0	0	0	115	R754	R754-G772 PolarHBondContact NH1-O 2.93Å
773	R	78.1	Confident	81.6	Confident	125 Å²	125	73.5 Å²	73.5	47%	0.472	39%	0.392	S	S	.	.	S	Bend	trans	-139.9	134.8	-178.6	-60.8	-178.9	-174.7	178.2	1.9	111.3	G751 F771 S775 C776 L777	G751-R773 PolarHBondContact O-NH2 2.97Å; F771-R773 VanDerWaalsContact C-N 3.28Å; F771-R773 PolarHBondContact O-N 3.39Å; R773-S775 PolarHBondContact O-N 3.13Å; R773-C776 WeakPolarHBondContact O-CB 3.47Å; R773-C776 PolarHBondContact O-N 3.1Å; R773-L777 PolarHBondContact O-N 2.92Å
774	N	81.5	Confident	81.5	Confident	89 Å²	89	70.4 Å²	70.4	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-59.1	-34	179.9	-164.2	40.9	0	0	0	113.2	Y762 C776 L777 H778	Y762-N774 HydrophobicContact CD1-CB 3.73Å; Y762-N774 HydrophobicContact CD2-CB 4.36Å; Y762-N774 HydrophobicContact CE1-CB 3.7Å; Y762-N774 HydrophobicContact CE2-CB 4.31Å; Y762-N774 HydrophobicContact CG-CB 4.08Å; N774-C776 PolarHBondContact O-N 3.17Å; N774-L777 PolarHBondContact O-N 3.33Å; N774-H778 WeakPolarHBondContact O-CB 3.45Å; N774-H778 PolarHBondContact O-N 2.8Å
775	S	81	Confident	81.1	Confident	77 Å²	77	74.2 Å²	74.2	54%	0.538	40%	0.403	S	S	.	.	H	α-helix	trans	-62	-29.1	175.8	57.3	0	0	0	0	113.4	R773 V779	R773-S775 PolarHBondContact O-N 3.13Å; S775-V779 VanDerWaalsContact O-CG2 3.31Å; S775-V779 WeakPolarHBondContact O-CG2 3.42Å; S775-V779 PolarHBondContact O-N 3.38Å
776	C	81.1	Confident	80.7	Confident	59 Å²	59	67.9 Å²	67.9	40%	0.399	39%	0.386	S	S	.	.	H	α-helix	trans	-77.5	-41.5	177.1	-62.1	0	0	0	0	110.9	F771 R773 N774 V779 H780	F771-C776 HydrophobicContact CB-CB 4.05Å; F771-C776 HydrophobicContact CD1-CB 3.73Å; F771-C776 HydrophobicContact CG-CB 4.13Å; R773-C776 WeakPolarHBondContact O-CB 3.47Å; R773-C776 PolarHBondContact O-N 3.1Å; N774-C776 PolarHBondContact O-N 3.17Å; C776-V779 PolarHBondContact O-N 3.39Å; C776-H780 WeakPolarHBondContact O-CB 3.38Å; C776-H780 PolarHBondContact O-N 3.46Å
777	L	83.9	Confident	80.5	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-57.8	-49	170.7	171.1	60.8	0	0	0	111	K763 C764 F771 R773 N774 V779 H780 Q781	K763-L777 VanDerWaalsContact O-CD2 3.22Å; K763-L777 WeakPolarHBondContact O-CD2 3.23Å; C764-L777 HydrophobicContact CB-CD1 3.57Å; F771-L777 HydrophobicContact CB-CB 4.45Å; F771-L777 HydrophobicContact CD2-CB 3.98Å; F771-L777 HydrophobicContact CD2-CD1 4.14Å; F771-L777 HydrophobicContact CE2-CD1 4.3Å; F771-L777 HydrophobicContact CG-CB 4.39Å; R773-L777 PolarHBondContact O-N 2.92Å; N774-L777 PolarHBondContact O-N 3.33Å; L777-V779 VanDerWaalsContact C-N 3.32Å; L777-V779 PolarHBondContact O-N 3.1Å; L777-H780 CarbonylContact O-C 3.49Å; L777-H780 WeakPolarHBondContact O-CA 3.4Å; L777-H780 WeakPolarHBondContact O-CB 3.44Å; L777-H780 PolarHBondContact O-N 3.4Å; L777-Q781 HydrophobicContact CD1-CG 4.24Å; L777-Q781 WeakPolarHBondContact O-CG 3.48Å; L777-Q781 PolarHBondContact O-N 2.97Å
778	H	79.7	Confident	80.3	Confident	111 Å²	111	71.2 Å²	71.2	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-70	-27.1	-175.1	-160.6	50.6	0	0	0	113.8	N774 Q781	N774-H778 WeakPolarHBondContact O-CB 3.45Å; N774-H778 PolarHBondContact O-N 2.8Å; H778-Q781 PolarHBondContact ND1-OE1 2.91Å
779	V	80.2	Confident	80.3	Confident	68 Å²	68	71.8 Å²	71.8	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-74.9	-33.3	167.3	169.9	0	0	0	0	111.4	S775 C776 L777 R782	S775-V779 VanDerWaalsContact O-CG2 3.31Å; S775-V779 WeakPolarHBondContact O-CG2 3.42Å; S775-V779 PolarHBondContact O-N 3.38Å; C776-V779 PolarHBondContact O-N 3.39Å; L777-V779 VanDerWaalsContact C-N 3.32Å; L777-V779 PolarHBondContact O-N 3.1Å; V779-R782 WeakPolarHBondContact O-CB 3.49Å; V779-R782 PolarHBondContact O-N 3.39Å
780	H	82	Confident	80.2	Confident	25 Å²	25	69.1 Å²	69.1	12%	0.116	38%	0.375	C	S	.	.	H	α-helix	trans	-69.9	-35.5	176.9	172.9	46.7	0	0	0	113.3	C767 F771 C776 L777 R782 V783 H784	C767-H780 PolarHBondContact SG-NE2 3.29Å; F771-H780 HydrophobicContact CE1-CB 4.21Å; F771-H780 HydrophobicContact CE2-CB 4.04Å; F771-H780 AromaticContact CE2-CD2 3.3Å; F771-H780 WeakPolarHBondContact CE2-CD2 3.42Å; F771-H780 AromaticContact CE2-CG 3.85Å; F771-H780 HydrophobicContact CZ-CB 3.62Å; F771-H780 AromaticContact CZ-CD2 3.31Å; F771-H780 WeakPolarHBondContact CZ-CD2 3.41Å; F771-H780 AromaticContact CZ-CG 3.45Å; F771-H780 VanDerWaalsContact CZ-CG 3.45Å; C776-H780 WeakPolarHBondContact O-CB 3.38Å; C776-H780 PolarHBondContact O-N 3.46Å; L777-H780 CarbonylContact O-C 3.49Å; L777-H780 WeakPolarHBondContact O-CA 3.4Å; L777-H780 WeakPolarHBondContact O-CB 3.44Å; L777-H780 PolarHBondContact O-N 3.4Å; H780-R782 PolarHBondContact O-N 3.32Å; H780-R782 VanDerWaalsContact O-N 3.14Å; H780-V783 VanDerWaalsContact O-CB 3.24Å; H780-V783 WeakPolarHBondContact O-CB 3.49Å; H780-V783 WeakPolarHBondContact O-CG2 3.39Å; H780-V783 PolarHBondContact O-N 3Å; H780-H784 AromaticContact CE1-CE1 3.9Å; H780-H784 AromaticContact CE1-NE2 3.52Å; H780-H784 AromaticContact NE2-NE2 3.39Å; H780-H784 PolarHBondContact NE2-NE2 3.08Å
781	Q	81.9	Confident	80.1	Confident	69 Å²	69	72.4 Å²	72.4	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-54.9	-31.1	174.4	-73.1	174.8	-55.4	0	0	112.6	L777 H778 V783 H784 T785	L777-Q781 HydrophobicContact CD1-CG 4.24Å; L777-Q781 WeakPolarHBondContact O-CG 3.48Å; L777-Q781 PolarHBondContact O-N 2.97Å; H778-Q781 PolarHBondContact ND1-OE1 2.91Å; Q781-V783 PolarHBondContact O-N 2.94Å; Q781-H784 PolarHBondContact O-N 3.24Å; Q781-T785 PolarHBondContact O-N 3.46Å; Q781-T785 VanDerWaalsContact O-N 3.11Å
782	R	82.8	Confident	80.3	Confident	48 Å²	48	70.1 Å²	70.1	18%	0.181	38%	0.381	C	S	.	.	H	α-helix	trans	-66.5	-12.9	174	-59.5	-178.4	176.5	168.9	-1	114.8	V779 H780 G786 E787 Y790 S800	V779-R782 WeakPolarHBondContact O-CB 3.49Å; V779-R782 PolarHBondContact O-N 3.39Å; H780-R782 PolarHBondContact O-N 3.32Å; H780-R782 VanDerWaalsContact O-N 3.14Å; R782-G786 CarbonylContact O-C 3.39Å; R782-G786 WeakPolarHBondContact O-CA 3.37Å; R782-G786 PolarHBondContact O-N 3.43Å; R782-E787 HydrophobicContact CB-CB 4.11Å; R782-E787 HydrophobicContact CG-CB 4.09Å; R782-E787 IonicContact NE-OE2 3.44Å; R782-E787 PolarHBondContact O-N 3.36Å; R782-Y790 PolarHBondContact NH1-OH 3.41Å; R782-S800 PolarHBondContact NH1-O 2.64Å
783	V	80	Confident	80.4	Confident	100 Å²	100	73 Å²	73	61%	0.606	41%	0.411	S	S	*	.	H	α-helix	trans	-75.3	-33.7	171.2	-176.5	0	0	0	0	110.4	H780 Q781	H780-V783 VanDerWaalsContact O-CB 3.24Å; H780-V783 WeakPolarHBondContact O-CB 3.49Å; H780-V783 WeakPolarHBondContact O-CG2 3.39Å; H780-V783 PolarHBondContact O-N 3Å; Q781-V783 PolarHBondContact O-N 2.94Å
784	H	79.9	Confident	80.4	Confident	73 Å²	73	72.4 Å²	72.4	34%	0.338	42%	0.421	S	S	.	.	H	α-helix	trans	-81.3	-43.2	178.3	-55.9	-51	0	0	0	111.7	C764 E766 C767 H780 Q781 G786	C764-H784 PolarHBondContact SG-NE2 3.09Å; C764-H784 VanDerWaalsContact SG-NE2 3.39Å; E766-H784 IonicContact OE2-CD2 2.75Å; E766-H784 PolarHBondContact OE2-CD2 2.92Å; E766-H784 IonicContact OE2-CG 3.81Å; C767-H784 VanDerWaalsContact SG-CE1 3.59Å; C767-H784 PolarHBondContact SG-NE2 3.19Å; C767-H784 VanDerWaalsContact SG-NE2 3.42Å; H780-H784 AromaticContact CE1-CE1 3.9Å; H780-H784 AromaticContact CE1-NE2 3.52Å; H780-H784 AromaticContact NE2-NE2 3.39Å; H780-H784 PolarHBondContact NE2-NE2 3.08Å; Q781-H784 PolarHBondContact O-N 3.24Å; H784-G786 PolarHBondContact O-N 3.24Å
785	T	78.5	Confident	80.5	Confident	80 Å²	80	70.7 Å²	70.7	49%	0.491	42%	0.415	S	S	.	.	S	Bend	trans	-76.9	-6.9	175.5	66.5	0	0	0	0	114.2	Q781 E787	Q781-T785 PolarHBondContact O-N 3.46Å; Q781-T785 VanDerWaalsContact O-N 3.11Å; T785-E787 PolarHBondContact O-N 3.48Å; T785-E787 VanDerWaalsContact O-N 3.1Å; T785-E787 WeakPolarHBondContact OG1-CG 3.4Å
786	G	75.4	Confident	80.3	Confident	46 Å²	46	69.7 Å²	69.7	47%	0.474	42%	0.416	S	S	.	.			trans	67.7	1.6	-176.4	0	0	0	0	0	115.4	R782 H784 K788	R782-G786 CarbonylContact O-C 3.39Å; R782-G786 WeakPolarHBondContact O-CA 3.37Å; R782-G786 PolarHBondContact O-N 3.43Å; H784-G786 PolarHBondContact O-N 3.24Å; G786-K788 PolarHBondContact O-N 3.22Å
787	E	76.9	Confident	80.3	Confident	99 Å²	99	73 Å²	73	46%	0.463	42%	0.424	S	S	.	.			trans	-55.3	125.7	-174.5	-85.1	-179.3	-161.3	0	0	113.1	R782 T785 P789 S800	R782-E787 HydrophobicContact CB-CB 4.11Å; R782-E787 HydrophobicContact CG-CB 4.09Å; R782-E787 IonicContact NE-OE2 3.44Å; R782-E787 PolarHBondContact O-N 3.36Å; T785-E787 PolarHBondContact O-N 3.48Å; T785-E787 VanDerWaalsContact O-N 3.1Å; T785-E787 WeakPolarHBondContact OG1-CG 3.4Å; E787-P789 HydrophobicContact CB-CG 4.39Å; E787-P789 WeakPolarHBondContact O-CD 3.25Å; E787-S800 WeakPolarHBondContact O-CB 3.48Å
788	K	81.1	Confident	80.1	Confident	136 Å²	136	73.6 Å²	73.6	59%	0.591	43%	0.434	S	S	*	.			trans	-123.3	69.7	175.9	-73.9	163.6	179	174.6	0	111.3	G786 Y790 G798 F799	G786-K788 PolarHBondContact O-N 3.22Å; K788-Y790 PolarHBondContact O-N 3.4Å; K788-G798 WeakPolarHBondContact CD-O 3.38Å; K788-F799 CarbonylContact C-O 3.58Å; K788-F799 VanDerWaalsContact C-O 3.3Å; K788-F799 WeakPolarHBondContact CA-O 3.47Å
789	P	80.2	Confident	80	Confident	66 Å²	66	70.1 Å²	70.1	43%	0.429	42%	0.417	S	S	.	.			trans	-70	-5.5	-170.3	-18.4	33.8	0	0	0	115	E787	E787-P789 HydrophobicContact CB-CG 4.39Å; E787-P789 WeakPolarHBondContact O-CD 3.25Å
790	Y	79.3	Confident	79.7	Confident	69 Å²	69	68 Å²	68	27%	0.271	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	85.2	-175.4	-49.5	-60.7	0	0	0	109.8	R782 K788 F799 T802	R782-Y790 PolarHBondContact NH1-OH 3.41Å; K788-Y790 PolarHBondContact O-N 3.4Å; Y790-F799 WeakPolarHBondContact CB-O 3.45Å; Y790-F799 WeakPolarHBondContact CD2-O 3.37Å; Y790-F799 PolarHBondContact N-O 3.3Å; Y790-F799 VanDerWaalsContact N-O 3.11Å; Y790-F799 PolarHBondContact O-N 3.2Å; Y790-T802 HydrophobicContact CD1-CG2 3.72Å; Y790-T802 HydrophobicContact CD2-CG2 3.91Å; Y790-T802 HydrophobicContact CE1-CG2 3.47Å; Y790-T802 VanDerWaalsContact CE1-CG2 3.47Å; Y790-T802 HydrophobicContact CE2-CG2 3.66Å; Y790-T802 HydrophobicContact CG-CG2 3.94Å; Y790-T802 VanDerWaalsContact CZ-CG2 3.45Å
791	T	80.4	Confident	79.5	Confident	93 Å²	93	72.5 Å²	72.5	57%	0.571	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	146	174.6	48	0	0	0	0	111.8
792	C	85.2	Confident	79.2	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.007	43%	0.432	C	S	.	.			trans	-85.8	113.4	172.4	-170.4	0	0	0	0	110.2	V794 C795 G796 K797 L805	C792-V794 PolarHBondContact O-N 3.48Å; C792-C795 PolarHBondContact O-N 3.13Å; C792-G796 WeakPolarHBondContact O-CA 3.49Å; C792-G796 PolarHBondContact O-N 3.48Å; C792-K797 PolarHBondContact N-O 3.11Å; C792-L805 HydrophobicContact CB-CD1 3.67Å
793	G	80.1	Confident	79	Confident	85 Å²	85	73.5 Å²	73.5	88%	0.876	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.8	178.8	0	0	0	0	0	115.4
794	V	77.5	Confident	78.9	Confident	112 Å²	112	69 Å²	69	68%	0.679	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-29	178.5	-175.6	0	0	0	0	112.5	C792	C792-V794 PolarHBondContact O-N 3.48Å
795	C	83.4	Confident	79	Confident	52 Å²	52	66.7 Å²	66.7	35%	0.351	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.9	11.9	-170.2	70.7	0	0	0	0	115.1	C792 K797 H808 H812	C792-C795 PolarHBondContact O-N 3.13Å; C795-K797 PolarHBondContact O-N 3.43Å; C795-H808 PolarHBondContact SG-NE2 3.42Å; C795-H812 PolarHBondContact SG-NE2 2.6Å; C795-H812 VanDerWaalsContact SG-NE2 3.4Å
796	G	76.8	Confident	79	Confident	56 Å²	56	69.7 Å²	69.7	58%	0.577	41%	0.407	S	S	*	.			trans	70.6	-21.3	-179.7	0	0	0	0	0	116.4	C792 G798	C792-G796 WeakPolarHBondContact O-CA 3.49Å; C792-G796 PolarHBondContact O-N 3.48Å; G796-G798 PolarHBondContact O-N 3.48Å
797	K	81.4	Confident	79.2	Confident	129 Å²	129	71 Å²	71	56%	0.561	40%	0.403	S	S	*	.			trans	-54.5	120.6	-171.5	-69.9	-176	178.4	-179.8	0	112.4	C792 C795 F799	C792-K797 PolarHBondContact N-O 3.11Å; C795-K797 PolarHBondContact O-N 3.43Å; K797-F799 HydrophobicContact CB-CE2 3.88Å; K797-F799 HydrophobicContact CB-CZ 4.21Å; K797-F799 WeakPolarHBondContact O-CD2 3.49Å; K797-F799 VanDerWaalsContact O-CE2 3.24Å; K797-F799 WeakPolarHBondContact O-CE2 3.29Å
798	G	79	Confident	79.3	Confident	27 Å²	27	67.8 Å²	67.8	28%	0.278	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.6	-179.8	0	0	0	0	0	113.7	K788 G796	K788-G798 WeakPolarHBondContact CD-O 3.38Å; G796-G798 PolarHBondContact O-N 3.48Å
799	F	78.9	Confident	79.3	Confident	39 Å²	39	65.2 Å²	65.2	17%	0.171	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.1	177.8	-60.3	-93.5	0	0	0	110.8	K788 Y790 K797 Y801 L805 H808	K788-F799 CarbonylContact C-O 3.58Å; K788-F799 VanDerWaalsContact C-O 3.3Å; K788-F799 WeakPolarHBondContact CA-O 3.47Å; Y790-F799 WeakPolarHBondContact CB-O 3.45Å; Y790-F799 WeakPolarHBondContact CD2-O 3.37Å; Y790-F799 PolarHBondContact N-O 3.3Å; Y790-F799 VanDerWaalsContact N-O 3.11Å; Y790-F799 PolarHBondContact O-N 3.2Å; K797-F799 HydrophobicContact CB-CE2 3.88Å; K797-F799 HydrophobicContact CB-CZ 4.21Å; K797-F799 WeakPolarHBondContact O-CD2 3.49Å; K797-F799 VanDerWaalsContact O-CE2 3.24Å; K797-F799 WeakPolarHBondContact O-CE2 3.29Å; F799-Y801 VanDerWaalsContact C-N 3.31Å; F799-L805 HydrophobicContact CB-CB 4.37Å; F799-L805 HydrophobicContact CD2-CB 4.11Å; F799-L805 HydrophobicContact CD2-CD1 4.24Å; F799-L805 HydrophobicContact CG-CB 4.39Å; F799-H808 HydrophobicContact CE1-CB 4.08Å; F799-H808 HydrophobicContact CE2-CB 3.89Å; F799-H808 AromaticContact CE2-CD2 3.44Å; F799-H808 VanDerWaalsContact CE2-CD2 3.44Å; F799-H808 WeakPolarHBondContact CE2-CD2 3.25Å; F799-H808 AromaticContact CE2-CG 3.82Å; F799-H808 HydrophobicContact CZ-CB 3.47Å; F799-H808 VanDerWaalsContact CZ-CB 3.47Å; F799-H808 AromaticContact CZ-CD2 3.45Å; F799-H808 VanDerWaalsContact CZ-CD2 3.45Å; F799-H808 WeakPolarHBondContact CZ-CD2 3.47Å; F799-H808 AromaticContact CZ-CG 3.42Å; F799-H808 VanDerWaalsContact CZ-CG 3.42Å
800	S	73.6	Confident	79.2	Confident	24 Å²	24	66.7 Å²	66.7	17%	0.168	38%	0.375	C	S	.	.	S	Bend	trans	-80.4	-12.1	175.6	47.7	0	0	0	0	113.4	R782 E787	R782-S800 PolarHBondContact NH1-O 2.64Å; E787-S800 WeakPolarHBondContact O-CB 3.48Å
801	Y	77.6	Confident	79.1	Confident	118 Å²	118	67.7 Å²	67.7	46%	0.463	39%	0.389	S	S	.	.	S	Bend	trans	-133.9	135.5	-176.8	50.6	-75.8	0	0	0	112.6	F799 S803 G804 L805	F799-Y801 VanDerWaalsContact C-N 3.31Å; Y801-S803 VanDerWaalsContact C-N 3.33Å; Y801-S803 PolarHBondContact O-N 3.1Å; Y801-G804 VanDerWaalsContact CD2-CA 3.41Å; Y801-G804 WeakPolarHBondContact O-CA 3.38Å; Y801-G804 PolarHBondContact O-N 3.34Å; Y801-L805 PolarHBondContact O-N 3.17Å
802	T	76.2	Confident	78.9	Confident	86 Å²	86	67.1 Å²	67.1	53%	0.528	38%	0.379	S	S	.	.	H	α-helix	trans	-64.5	-32.3	-176.7	50.9	0	0	0	0	113.6	Y790 G804 L805 R806	Y790-T802 HydrophobicContact CD1-CG2 3.72Å; Y790-T802 HydrophobicContact CD2-CG2 3.91Å; Y790-T802 HydrophobicContact CE1-CG2 3.47Å; Y790-T802 VanDerWaalsContact CE1-CG2 3.47Å; Y790-T802 HydrophobicContact CE2-CG2 3.66Å; Y790-T802 HydrophobicContact CG-CG2 3.94Å; Y790-T802 VanDerWaalsContact CZ-CG2 3.45Å; T802-G804 PolarHBondContact O-N 3.44Å; T802-L805 PolarHBondContact O-N 3.49Å; T802-R806 WeakPolarHBondContact O-CB 3.41Å; T802-R806 PolarHBondContact O-N 3.35Å
803	S	78.4	Confident	78.3	Confident	53 Å²	53	73.3 Å²	73.3	37%	0.371	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-27.4	172.2	43.1	0	0	0	0	112.4	Y801 N807	Y801-S803 VanDerWaalsContact C-N 3.33Å; Y801-S803 PolarHBondContact O-N 3.1Å; S803-N807 VanDerWaalsContact O-CB 3.24Å; S803-N807 WeakPolarHBondContact O-CB 3.3Å; S803-N807 PolarHBondContact O-N 3.17Å; S803-N807 PolarHBondContact O-OD1 3.35Å
804	G	77.5	Confident	77.4	Confident	6 Å²	6	72.4 Å²	72.4	6%	0.062	40%	0.402	C	S	.	.	H	α-helix	trans	-71.2	-50.6	174.7	0	0	0	0	0	111	Y801 T802 R806 N807 H808	Y801-G804 VanDerWaalsContact CD2-CA 3.41Å; Y801-G804 WeakPolarHBondContact O-CA 3.38Å; Y801-G804 PolarHBondContact O-N 3.34Å; T802-G804 PolarHBondContact O-N 3.44Å; G804-R806 VanDerWaalsContact C-N 3.32Å; G804-R806 PolarHBondContact O-N 2.83Å; G804-N807 PolarHBondContact O-N 2.91Å; G804-H808 WeakPolarHBondContact O-CB 3.33Å; G804-H808 PolarHBondContact O-N 3.16Å
805	L	81.3	Confident	76.5	Confident	24 Å²	24	72.5 Å²	72.5	13%	0.126	40%	0.395	C	S	.	.	H	α-helix	trans	-55.6	-46.6	171.5	173.9	59.3	0	0	0	111.3	C792 F799 Y801 T802 H808 Q809	C792-L805 HydrophobicContact CB-CD1 3.67Å; F799-L805 HydrophobicContact CB-CB 4.37Å; F799-L805 HydrophobicContact CD2-CB 4.11Å; F799-L805 HydrophobicContact CD2-CD1 4.24Å; F799-L805 HydrophobicContact CG-CB 4.39Å; Y801-L805 PolarHBondContact O-N 3.17Å; T802-L805 PolarHBondContact O-N 3.49Å; L805-H808 CarbonylContact O-C 3.4Å; L805-H808 PolarHBondContact O-N 3.26Å; L805-Q809 HydrophobicContact CD1-CG 4.02Å; L805-Q809 HydrophobicContact CG-CG 4.39Å; L805-Q809 WeakPolarHBondContact O-CB 3.5Å; L805-Q809 VanDerWaalsContact O-CG 3.28Å; L805-Q809 WeakPolarHBondContact O-CG 3.31Å; L805-Q809 PolarHBondContact O-N 3.25Å
806	R	78.4	Confident	74.8	Confident	143 Å²	143	76 Å²	76	54%	0.54	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-41	179.8	-169.3	-174.4	66.6	-172.2	-0.4	113.1	T802 G804 H808 Q809 R810	T802-R806 WeakPolarHBondContact O-CB 3.41Å; T802-R806 PolarHBondContact O-N 3.35Å; G804-R806 VanDerWaalsContact C-N 3.32Å; G804-R806 PolarHBondContact O-N 2.83Å; R806-H808 VanDerWaalsContact C-N 3.31Å; R806-Q809 PolarHBondContact O-N 3.44Å; R806-R810 PolarHBondContact O-N 3.33Å; R806-R810 VanDerWaalsContact O-N 3.16Å
807	N	79.4	Confident	73.4	Confident	73 Å²	73	76.8 Å²	76.8	39%	0.39	41%	0.405	S	S	.	.	H	α-helix	trans	-67.8	-34.2	175.4	-72.2	6.8	0	0	0	111	S803 G804 R810 V811	S803-N807 VanDerWaalsContact O-CB 3.24Å; S803-N807 WeakPolarHBondContact O-CB 3.3Å; S803-N807 PolarHBondContact O-N 3.17Å; S803-N807 PolarHBondContact O-OD1 3.35Å; G804-N807 PolarHBondContact O-N 2.91Å; N807-R810 WeakPolarHBondContact O-CB 3.39Å; N807-R810 PolarHBondContact O-N 3.27Å; N807-V811 PolarHBondContact O-N 3.39Å
808	H	80.5	Confident	71.8	Confident	31 Å²	31	80.2 Å²	80.2	14%	0.144	42%	0.416	C	S	.	.	H	α-helix	trans	-70.8	-36.4	173.1	-176.5	49.3	0	0	0	112.9	C795 F799 G804 L805 R806 R810 V811 H812	C795-H808 PolarHBondContact SG-NE2 3.42Å; F799-H808 HydrophobicContact CE1-CB 4.08Å; F799-H808 HydrophobicContact CE2-CB 3.89Å; F799-H808 AromaticContact CE2-CD2 3.44Å; F799-H808 VanDerWaalsContact CE2-CD2 3.44Å; F799-H808 WeakPolarHBondContact CE2-CD2 3.25Å; F799-H808 AromaticContact CE2-CG 3.82Å; F799-H808 HydrophobicContact CZ-CB 3.47Å; F799-H808 VanDerWaalsContact CZ-CB 3.47Å; F799-H808 AromaticContact CZ-CD2 3.45Å; F799-H808 VanDerWaalsContact CZ-CD2 3.45Å; F799-H808 WeakPolarHBondContact CZ-CD2 3.47Å; F799-H808 AromaticContact CZ-CG 3.42Å; F799-H808 VanDerWaalsContact CZ-CG 3.42Å; G804-H808 WeakPolarHBondContact O-CB 3.33Å; G804-H808 PolarHBondContact O-N 3.16Å; L805-H808 CarbonylContact O-C 3.4Å; L805-H808 PolarHBondContact O-N 3.26Å; R806-H808 VanDerWaalsContact C-N 3.31Å; H808-R810 PolarHBondContact O-N 3.47Å; H808-V811 WeakPolarHBondContact O-CB 3.26Å; H808-V811 PolarHBondContact O-N 3.47Å; H808-H812 AromaticContact CD2-NE2 3.63Å; H808-H812 AromaticContact CE1-NE2 3.4Å; H808-H812 PolarHBondContact CE1-NE2 3.42Å; H808-H812 AromaticContact NE2-CD2 3.86Å; H808-H812 AromaticContact NE2-CE1 3.9Å; H808-H812 AromaticContact NE2-NE2 3.01Å; H808-H812 PolarHBondContact NE2-NE2 3.17Å; H808-H812 PolarHBondContact O-CD2 3.21Å; H808-H812 PolarHBondContact O-N 3.31Å
809	Q	80	Confident	69.8	Low	82 Å²	82	92.1 Å²	92.1	38%	0.383	46%	0.46	S	S	.	.	H	α-helix	trans	-60.5	-33.1	172.1	-76.9	168.2	-37	0	0	112	L805 R806 V811 H812 L813	L805-Q809 HydrophobicContact CD1-CG 4.02Å; L805-Q809 HydrophobicContact CG-CG 4.39Å; L805-Q809 WeakPolarHBondContact O-CB 3.5Å; L805-Q809 VanDerWaalsContact O-CG 3.28Å; L805-Q809 WeakPolarHBondContact O-CG 3.31Å; L805-Q809 PolarHBondContact O-N 3.25Å; R806-Q809 PolarHBondContact O-N 3.44Å; Q809-V811 VanDerWaalsContact C-N 3.33Å; Q809-V811 PolarHBondContact O-N 3.15Å; Q809-H812 PolarHBondContact O-N 3.23Å; Q809-L813 WeakPolarHBondContact O-CG 3.38Å; Q809-L813 PolarHBondContact O-N 3.09Å
810	R	77.7	Confident	69.3	Low	98 Å²	98	94.8 Å²	94.8	37%	0.37	48%	0.475	S	S	.	.	H	α-helix	trans	-64.3	-33.2	171.1	-73.5	177.5	172.4	171.5	-6.9	113.8	R806 N807 H808 H812 L813 G814 E815	R806-R810 PolarHBondContact O-N 3.33Å; R806-R810 VanDerWaalsContact O-N 3.16Å; N807-R810 WeakPolarHBondContact O-CB 3.39Å; N807-R810 PolarHBondContact O-N 3.27Å; H808-R810 PolarHBondContact O-N 3.47Å; R810-H812 VanDerWaalsContact C-N 3.32Å; R810-H812 PolarHBondContact O-N 3.01Å; R810-L813 CarbonylContact O-C 3.49Å; R810-L813 WeakPolarHBondContact O-CA 3.26Å; R810-L813 PolarHBondContact O-N 3.37Å; R810-G814 PolarHBondContact O-N 2.65Å; R810-G814 VanDerWaalsContact O-N 3.11Å; R810-E815 HydrophobicContact CB-CB 4.01Å; R810-E815 HydrophobicContact CG-CB 4.34Å; R810-E815 IonicContact NE-OE2 2.77Å; R810-E815 PolarHBondContact O-N 3.23Å
811	V	78.7	Confident	69.1	Low	90 Å²	90	98.5 Å²	98.5	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-39.7	174.2	-175.1	0	0	0	0	110.7	N807 H808 Q809 L813 G814	N807-V811 PolarHBondContact O-N 3.39Å; H808-V811 WeakPolarHBondContact O-CB 3.26Å; H808-V811 PolarHBondContact O-N 3.47Å; Q809-V811 VanDerWaalsContact C-N 3.33Å; Q809-V811 PolarHBondContact O-N 3.15Å; V811-L813 PolarHBondContact O-N 3.13Å; V811-G814 PolarHBondContact O-N 3.29Å
812	H	75.6	Confident	68.6	Low	81 Å²	81	97.4 Å²	97.4	38%	0.375	49%	0.492	S	S	.	.	H	α-helix	trans	-67.6	-17.3	172.1	-64.5	-69	0	0	0	113.9	C795 H808 Q809 R810	C795-H812 PolarHBondContact SG-NE2 2.6Å; C795-H812 VanDerWaalsContact SG-NE2 3.4Å; H808-H812 AromaticContact CD2-NE2 3.63Å; H808-H812 AromaticContact CE1-NE2 3.4Å; H808-H812 PolarHBondContact CE1-NE2 3.42Å; H808-H812 AromaticContact NE2-CD2 3.86Å; H808-H812 AromaticContact NE2-CE1 3.9Å; H808-H812 AromaticContact NE2-NE2 3.01Å; H808-H812 PolarHBondContact NE2-NE2 3.17Å; H808-H812 PolarHBondContact O-CD2 3.21Å; H808-H812 PolarHBondContact O-N 3.31Å; Q809-H812 PolarHBondContact O-N 3.23Å; R810-H812 VanDerWaalsContact C-N 3.32Å; R810-H812 PolarHBondContact O-N 3.01Å
813	L	73	Confident	68.2	Low	130 Å²	130	98.1 Å²	98.1	68%	0.681	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	4.2	176	-64.6	168.3	0	0	0	112.9	Q809 R810 V811 E815	Q809-L813 WeakPolarHBondContact O-CG 3.38Å; Q809-L813 PolarHBondContact O-N 3.09Å; R810-L813 CarbonylContact O-C 3.49Å; R810-L813 WeakPolarHBondContact O-CA 3.26Å; R810-L813 PolarHBondContact O-N 3.37Å; V811-L813 PolarHBondContact O-N 3.13Å; L813-E815 PolarHBondContact O-N 3.5Å
814	G	61.4	Low	67.5	Low	66 Å²	66	100.9 Å²	100.9	68%	0.68	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	0.4	-177	0	0	0	0	0	115.5	R810 V811 N816	R810-G814 PolarHBondContact O-N 2.65Å; R810-G814 VanDerWaalsContact O-N 3.11Å; V811-G814 PolarHBondContact O-N 3.29Å; G814-N816 VanDerWaalsContact C-N 3.33Å; G814-N816 PolarHBondContact O-N 3.07Å
815	E	57.4	Low	66.9	Low	115 Å²	115	107.2 Å²	107.2	54%	0.537	53%	0.527	S	S	.	.			trans	-76.6	80	177.7	-71.8	-167.9	157.9	0	0	110.9	R810 L813	R810-E815 HydrophobicContact CB-CB 4.01Å; R810-E815 HydrophobicContact CG-CB 4.34Å; R810-E815 IonicContact NE-OE2 2.77Å; R810-E815 PolarHBondContact O-N 3.23Å; L813-E815 PolarHBondContact O-N 3.5Å
816	N	48.1	Very low	65.9	Low	124 Å²	124	113.1 Å²	113.1	66%	0.663	56%	0.555	S	S	*	*			trans	-67	126.5	178.2	-159.5	2.8	0	0	0	110.6	G814 Y818	G814-N816 VanDerWaalsContact C-N 3.33Å; G814-N816 PolarHBondContact O-N 3.07Å; N816-Y818 PolarHBondContact O-N 3.22Å
817	P	47.6	Very low	64.9	Low	73 Å²	73	110.8 Å²	110.8	47%	0.474	56%	0.557	S	S	.	*	S	Bend	trans	-72.9	10.4	-168.3	-20.2	34.2	0	0	0	117.1
818	Y	47.8	Very low	63.7	Low	201 Å²	201	114 Å²	114	79%	0.788	57%	0.57	S	S	*	*			trans	-127.9	75.6	-171.8	-63.6	-80.9	0	0	0	111.2	N816	N816-Y818 PolarHBondContact O-N 3.22Å
819	K	36.3	Very low	62.1	Low	277 Å²	277	121.5 Å²	121.5	100%	1.204	61%	0.609	S	S	*	*			trans	-144	0	153.5	-79	-160.5	173.9	-171.3	0	107.9

Retrieved 819 of 819 residues in 340.9 ms (Link to these results)

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