A0A0D9RMV2_CHLSB Loading...

Zinc finger and BTB domain-containing protein 1

Acts as a transcriptional repressor. Represses cAMP-responsive element (CRE)-mediated transcriptional activation. In addition, has a role in translesion DNA synthesis. Requires for UV-inducible RAD18 loading, PCNA monoubiquitination, POLH recruitment to replication factories and efficient translesion DNA synthesis. Plays a key role in the transcriptional regulation of T lymphocyte development.

AlphaFold DB , UniProt , Accession A0A0D9RMV2, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene ZBTB1, Length 644 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	46.9	Very low	246 Å²	246	121.5 Å²	121.5	100%	1.212	66%	0.663	S	S	*	*				0	127.1	0	-67.4	172.1	174.7	0	0	108.1
2	A	41.9	Very low	47.2	Very low	102 Å²	102	121.6 Å²	121.6	84%	0.843	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-82	140.9	174.2	0	0	0	0	0	109.9
3	K	46.5	Very low	47.1	Very low	198 Å²	198	119.8 Å²	119.8	86%	0.861	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-76.3	133.8	170.4	-67.4	-179	178.4	179.9	0	108.5
4	P	47.1	Very low	46.6	Very low	113 Å²	113	118.3 Å²	118.3	73%	0.734	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-61.8	143.8	172.9	27.2	-33.8	0	0	0	109.8
5	S	53.3	Low	46.4	Very low	70 Å²	70	115.9 Å²	115.9	49%	0.49	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-68.2	145.8	-180	59.8	0	0	0	0	111.2	S7 S8	S5-S7 WeakPolarHBondContact CB-OG 3.37Å; S5-S7 PolarHBondContact O-N 3.24Å; S5-S7 PolarHBondContact OG-OG 3.05Å; S5-S8 WeakPolarHBondContact O-CB 3.42Å; S5-S8 PolarHBondContact O-N 2.81Å
6	H	49.7	Very low	46.1	Very low	153 Å²	153	112.7 Å²	112.7	71%	0.708	60%	0.602	S	S	*	*	H	α-helix	trans	-52.8	-32.1	177.9	-170.9	-90.8	0	0	0	112.8	S8 Y9 V10	H6-S8 PolarHBondContact O-N 2.68Å; H6-Y9 PolarHBondContact O-N 2.78Å; H6-V10 WeakPolarHBondContact O-CG2 3.43Å; H6-V10 PolarHBondContact O-N 2.84Å; H6-V10 VanDerWaalsContact O-N 3.12Å
7	S	45.5	Very low	45.8	Very low	70 Å²	70	113.8 Å²	113.8	49%	0.49	60%	0.603	S	S	.	*	H	α-helix	trans	-58.9	-39.3	172.8	49.6	0	0	0	0	114.1	S5 L11	S5-S7 WeakPolarHBondContact CB-OG 3.37Å; S5-S7 PolarHBondContact O-N 3.24Å; S5-S7 PolarHBondContact OG-OG 3.05Å; S7-L11 WeakPolarHBondContact O-CB 3.39Å; S7-L11 VanDerWaalsContact O-CG 3.31Å; S7-L11 WeakPolarHBondContact O-CG 3.46Å; S7-L11 PolarHBondContact O-N 2.89Å
8	S	47.1	Very low	45.4	Very low	59 Å²	59	118.8 Å²	118.8	41%	0.413	61%	0.612	S	S	.	*	H	α-helix	trans	-68.3	-38.3	179.8	-167.4	0	0	0	0	111.5	S5 H6 Q12	S5-S8 WeakPolarHBondContact O-CB 3.42Å; S5-S8 PolarHBondContact O-N 2.81Å; H6-S8 PolarHBondContact O-N 2.68Å; S8-Q12 WeakPolarHBondContact O-CB 3.35Å; S8-Q12 PolarHBondContact O-N 3.31Å
9	Y	51.8	Low	45	Very low	154 Å²	154	118.1 Å²	118.1	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-66.5	-46.7	177.3	-175.1	-94.6	0	0	0	111.2	H6 L11 Q12 Q13	H6-Y9 PolarHBondContact O-N 2.78Å; Y9-L11 PolarHBondContact O-N 3.22Å; Y9-Q12 PolarHBondContact O-N 3.08Å; Y9-Q13 WeakPolarHBondContact O-CB 3.24Å; Y9-Q13 PolarHBondContact O-N 3.26Å
10	V	49.9	Very low	44.4	Very low	55 Å²	55	120.9 Å²	120.9	33%	0.333	61%	0.608	S	S	.	*	H	α-helix	trans	-62.9	-42.8	177.2	173.3	0	0	0	0	111.8	H6 Q13 L14	H6-V10 WeakPolarHBondContact O-CG2 3.43Å; H6-V10 PolarHBondContact O-N 2.84Å; H6-V10 VanDerWaalsContact O-N 3.12Å; V10-Q13 PolarHBondContact O-N 3.45Å; V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.34Å
11	L	47.5	Very low	44.1	Very low	116 Å²	116	116.6 Å²	116.6	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-63.2	-41.8	176.7	-76	169.8	0	0	0	112.2	S7 Y9 L14 N15	S7-L11 WeakPolarHBondContact O-CB 3.39Å; S7-L11 VanDerWaalsContact O-CG 3.31Å; S7-L11 WeakPolarHBondContact O-CG 3.46Å; S7-L11 PolarHBondContact O-N 2.89Å; Y9-L11 PolarHBondContact O-N 3.22Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-N15 WeakPolarHBondContact O-CB 3.37Å; L11-N15 PolarHBondContact O-N 3.33Å
12	Q	50.3	Low	43.9	Very low	123 Å²	123	111.5 Å²	111.5	58%	0.575	57%	0.565	S	S	*	*	H	α-helix	trans	-67.8	-37.9	176.1	-169	163.4	11.6	0	0	111.8	S8 Y9 L14 N15 N16	S8-Q12 WeakPolarHBondContact O-CB 3.35Å; S8-Q12 PolarHBondContact O-N 3.31Å; Y9-Q12 PolarHBondContact O-N 3.08Å; Q12-L14 PolarHBondContact O-N 3.2Å; Q12-N15 PolarHBondContact O-N 3.06Å; Q12-N16 WeakPolarHBondContact O-CB 3.47Å; Q12-N16 PolarHBondContact O-N 3.07Å; Q12-N16 PolarHBondContact O-OD1 2.91Å; Q12-N16 VanDerWaalsContact O-OD1 3.05Å
13	Q	45.6	Very low	43.4	Very low	99 Å²	99	111 Å²	111	46%	0.463	55%	0.548	S	S	.	.	H	α-helix	trans	-65.9	-36.7	176.5	-163.7	170	11.1	0	0	112.4	Y9 V10 Q17	Y9-Q13 WeakPolarHBondContact O-CB 3.24Å; Y9-Q13 PolarHBondContact O-N 3.26Å; V10-Q13 PolarHBondContact O-N 3.45Å; Q13-Q17 PolarHBondContact O-N 2.96Å; Q13-Q17 VanDerWaalsContact O-N 3.12Å
14	L	39.9	Very low	42.8	Very low	98 Å²	98	105 Å²	105	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-69.5	-39.9	172.2	-72.7	169.4	0	0	0	112.6	V10 L11 Q12 Q17 R18	V10-L14 HydrophobicContact CG1-CD1 4.02Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.34Å; L11-L14 PolarHBondContact O-N 2.85Å; Q12-L14 PolarHBondContact O-N 3.2Å; L14-Q17 PolarHBondContact O-N 3.39Å; L14-R18 PolarHBondContact O-N 3.26Å; L14-R18 VanDerWaalsContact O-N 3.14Å
15	N	43.3	Very low	42.1	Very low	82 Å²	82	104.7 Å²	104.7	44%	0.439	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-44.9	177.1	-165.6	75.2	0	0	0	111.1	L11 Q12 Q17 R18 E19	L11-N15 WeakPolarHBondContact O-CB 3.37Å; L11-N15 PolarHBondContact O-N 3.33Å; Q12-N15 PolarHBondContact O-N 3.06Å; N15-Q17 VanDerWaalsContact C-N 3.33Å; N15-Q17 PolarHBondContact O-N 3.25Å; N15-R18 WeakPolarHBondContact O-CA 3.42Å; N15-R18 WeakPolarHBondContact O-CB 3.26Å; N15-R18 PolarHBondContact O-N 3.24Å; N15-E19 PolarHBondContact ND2-OE1 3.16Å; N15-E19 PolarHBondContact O-N 2.75Å
16	N	42.4	Very low	41.1	Very low	65 Å²	65	103.6 Å²	103.6	35%	0.348	51%	0.514	S	S	.	.	H	α-helix	trans	-56.3	-45.3	173	-67.2	6.5	0	0	0	111.4	Q12 R18 E19 W20	Q12-N16 WeakPolarHBondContact O-CB 3.47Å; Q12-N16 PolarHBondContact O-N 3.07Å; Q12-N16 PolarHBondContact O-OD1 2.91Å; Q12-N16 VanDerWaalsContact O-OD1 3.05Å; N16-R18 PolarHBondContact O-N 3.23Å; N16-E19 PolarHBondContact O-N 2.86Å; N16-W20 PolarHBondContact O-N 3.22Å
17	Q	40.2	Very low	40.2	Very low	131 Å²	131	99.8 Å²	99.8	61%	0.612	50%	0.504	S	S	*	.	H	α-helix	trans	-59.8	-32.5	176.3	-81.6	-173.3	-18.5	0	0	113	Q13 L14 N15 G21	Q13-Q17 PolarHBondContact O-N 2.96Å; Q13-Q17 VanDerWaalsContact O-N 3.12Å; L14-Q17 PolarHBondContact O-N 3.39Å; N15-Q17 VanDerWaalsContact C-N 3.33Å; N15-Q17 PolarHBondContact O-N 3.25Å; Q17-G21 PolarHBondContact O-N 2.86Å
18	R	39.6	Very low	39.9	Very low	204 Å²	204	101.1 Å²	101.1	77%	0.77	51%	0.505	S	S	*	.	H	α-helix	trans	-72.8	-36.8	177.1	-150.1	176.2	-167.8	-142.8	0.5	112.3	L14 N15 N16 G21 F22	L14-R18 PolarHBondContact O-N 3.26Å; L14-R18 VanDerWaalsContact O-N 3.14Å; N15-R18 WeakPolarHBondContact O-CA 3.42Å; N15-R18 WeakPolarHBondContact O-CB 3.26Å; N15-R18 PolarHBondContact O-N 3.24Å; N16-R18 PolarHBondContact O-N 3.23Å; R18-G21 PolarHBondContact O-N 3.14Å; R18-F22 PolarHBondContact O-N 2.72Å
19	E	37.9	Very low	39.3	Very low	105 Å²	105	100.6 Å²	100.6	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-69	-42.4	173.6	-69.7	168.6	-174.6	0	0	111.7	N15 N16 F22 L23	N15-E19 PolarHBondContact ND2-OE1 3.16Å; N15-E19 PolarHBondContact O-N 2.75Å; N16-E19 PolarHBondContact O-N 2.86Å; E19-F22 PolarHBondContact O-N 3.25Å; E19-L23 WeakPolarHBondContact O-CG 3.36Å; E19-L23 PolarHBondContact O-N 3.46Å
20	W	33.2	Very low	38.6	Very low	175 Å²	175	97.4 Å²	97.4	66%	0.663	50%	0.496	S	S	*	.	H	α-helix	trans	-63	-39.3	172.2	-76.4	110.5	0	0	0	112.5	N16 L23 C24	N16-W20 PolarHBondContact O-N 3.22Å; W20-L23 PolarHBondContact O-N 3.47Å; W20-C24 PolarHBondContact O-N 2.88Å; W20-C24 PolarHBondContact O-SG 3.48Å; W20-C24 VanDerWaalsContact O-SG 3.35Å
21	G	36.2	Very low	38	Very low	30 Å²	30	99.9 Å²	99.9	31%	0.309	51%	0.507	S	S	.	.	H	α-helix	trans	-58.9	-51.2	172.9	0	0	0	0	0	112	Q17 R18 L23 C24 D25	Q17-G21 PolarHBondContact O-N 2.86Å; R18-G21 PolarHBondContact O-N 3.14Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.96Å; G21-C24 WeakPolarHBondContact O-CB 3.42Å; G21-C24 PolarHBondContact O-N 3.33Å; G21-C24 VanDerWaalsContact O-N 3.15Å; G21-D25 PolarHBondContact O-N 2.95Å
22	F	32.9	Very low	37.7	Very low	139 Å²	139	98.8 Å²	98.8	61%	0.61	50%	0.502	S	S	*	.	H	α-helix	trans	-59.5	-40.4	177.2	-178.1	-100.9	0	0	0	112.9	R18 E19 D25 C26	R18-F22 PolarHBondContact O-N 2.72Å; E19-F22 PolarHBondContact O-N 3.25Å; F22-D25 PolarHBondContact O-N 3.48Å; F22-C26 WeakPolarHBondContact O-CB 3.48Å; F22-C26 PolarHBondContact O-N 3.4Å; F22-C26 PolarHBondContact O-SG 3.03Å; F22-C26 VanDerWaalsContact O-SG 3.35Å
23	L	32.2	Very low	37.3	Very low	93 Å²	93	98.4 Å²	98.4	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175.2	-72.9	170.3	0	0	0	112.3	E19 W20 G21 C26 C27	E19-L23 WeakPolarHBondContact O-CG 3.36Å; E19-L23 PolarHBondContact O-N 3.46Å; W20-L23 PolarHBondContact O-N 3.47Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.96Å; L23-C26 PolarHBondContact O-N 3.02Å; L23-C27 PolarHBondContact O-N 3.46Å; L23-C27 PolarHBondContact O-SG 3.12Å
24	C	32.5	Very low	37	Very low	71 Å²	71	101.6 Å²	101.6	48%	0.48	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-44.9	173.5	-72.4	0	0	0	0	112	W20 G21 C26 C27 I28	W20-C24 PolarHBondContact O-N 2.88Å; W20-C24 PolarHBondContact O-SG 3.48Å; W20-C24 VanDerWaalsContact O-SG 3.35Å; G21-C24 WeakPolarHBondContact O-CB 3.42Å; G21-C24 PolarHBondContact O-N 3.33Å; G21-C24 VanDerWaalsContact O-N 3.15Å; C24-C26 VanDerWaalsContact C-N 3.31Å; C24-C26 PolarHBondContact O-N 3.4Å; C24-C27 PolarHBondContact O-N 3.31Å; C24-I28 VanDerWaalsContact O-CG1 3.3Å; C24-I28 WeakPolarHBondContact O-CG1 3.34Å; C24-I28 PolarHBondContact O-N 2.85Å
25	D	33.3	Very low	37	Very low	107 Å²	107	102.4 Å²	102.4	57%	0.572	51%	0.511	S	S	*	.	H	α-helix	trans	-62.3	-38.7	176.9	-67.1	-26.9	0	0	0	111.3	G21 F22 A29	G21-D25 PolarHBondContact O-N 2.95Å; F22-D25 PolarHBondContact O-N 3.48Å; D25-A29 WeakPolarHBondContact O-CB 3.05Å; D25-A29 PolarHBondContact O-N 3.41Å
26	C	31.9	Very low	37	Very low	47 Å²	47	105.3 Å²	105.3	32%	0.318	52%	0.523	S	S	.	.	H	α-helix	trans	-65.6	-42.1	172.4	-75.8	0	0	0	0	112.8	F22 L23 C24 A29 I30	F22-C26 WeakPolarHBondContact O-CB 3.48Å; F22-C26 PolarHBondContact O-N 3.4Å; F22-C26 PolarHBondContact O-SG 3.03Å; F22-C26 VanDerWaalsContact O-SG 3.35Å; L23-C26 PolarHBondContact O-N 3.02Å; C24-C26 VanDerWaalsContact C-N 3.31Å; C24-C26 PolarHBondContact O-N 3.4Å; C26-A29 PolarHBondContact O-N 2.8Å; C26-I30 WeakPolarHBondContact O-CB 3.22Å; C26-I30 WeakPolarHBondContact O-CD1 3.5Å; C26-I30 WeakPolarHBondContact O-CG1 3.23Å; C26-I30 PolarHBondContact O-N 2.84Å
27	C	30.6	Very low	36.8	Very low	73 Å²	73	104.5 Å²	104.5	49%	0.493	53%	0.525	S	S	.	.	H	α-helix	trans	-62.8	-44.9	175.2	-71.7	0	0	0	0	111.4	L23 C24 A29 I30 D31	L23-C27 PolarHBondContact O-N 3.46Å; L23-C27 PolarHBondContact O-SG 3.12Å; C24-C27 PolarHBondContact O-N 3.31Å; C27-A29 VanDerWaalsContact C-N 3.35Å; C27-A29 PolarHBondContact O-N 2.86Å; C27-I30 PolarHBondContact O-N 3.4Å; C27-D31 WeakPolarHBondContact O-CB 3.46Å; C27-D31 PolarHBondContact O-N 3.22Å
28	I	38.6	Very low	37	Very low	98 Å²	98	102.6 Å²	102.6	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-60.4	-44.7	176	-67.5	163	0	0	0	110.6	C24 I30 D31 D32	C24-I28 VanDerWaalsContact O-CG1 3.3Å; C24-I28 WeakPolarHBondContact O-CG1 3.34Å; C24-I28 PolarHBondContact O-N 2.85Å; I28-I30 VanDerWaalsContact C-N 3.34Å; I28-I30 PolarHBondContact O-N 2.84Å; I28-D31 PolarHBondContact O-N 3.18Å; I28-D32 WeakPolarHBondContact O-CB 3.3Å; I28-D32 PolarHBondContact O-N 2.94Å
29	A	35.7	Very low	37.3	Very low	47 Å²	47	98 Å²	98	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-64.5	-36	176.5	0	0	0	0	0	112.8	D25 C26 C27 I33	D25-A29 WeakPolarHBondContact O-CB 3.05Å; D25-A29 PolarHBondContact O-N 3.41Å; C26-A29 PolarHBondContact O-N 2.8Å; C27-A29 VanDerWaalsContact C-N 3.35Å; C27-A29 PolarHBondContact O-N 2.86Å; A29-I33 WeakPolarHBondContact O-CB 3.43Å; A29-I33 WeakPolarHBondContact O-CD1 3.48Å; A29-I33 WeakPolarHBondContact O-CG1 3.24Å; A29-I33 PolarHBondContact O-N 3.38Å
30	I	36.2	Very low	37.6	Very low	88 Å²	88	95.9 Å²	95.9	45%	0.451	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-45.2	174.6	-73.5	164.5	0	0	0	110.5	C26 C27 I28 I33 Y34	C26-I30 WeakPolarHBondContact O-CB 3.22Å; C26-I30 WeakPolarHBondContact O-CD1 3.5Å; C26-I30 WeakPolarHBondContact O-CG1 3.23Å; C26-I30 PolarHBondContact O-N 2.84Å; C27-I30 PolarHBondContact O-N 3.4Å; I28-I30 VanDerWaalsContact C-N 3.34Å; I28-I30 PolarHBondContact O-N 2.84Å; I30-I33 PolarHBondContact O-N 2.89Å; I30-Y34 HydrophobicContact CG2-CD2 3.67Å; I30-Y34 HydrophobicContact CG2-CE2 3.7Å; I30-Y34 VanDerWaalsContact O-CD2 3.3Å; I30-Y34 WeakPolarHBondContact O-CD2 3.48Å; I30-Y34 PolarHBondContact O-N 3.18Å
31	D	37.5	Very low	38.1	Very low	106 Å²	106	91.1 Å²	91.1	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-63.9	-41	177.3	-73.6	-24.6	0	0	0	111.6	C27 I28 Y34 F35	C27-D31 WeakPolarHBondContact O-CB 3.46Å; C27-D31 PolarHBondContact O-N 3.22Å; I28-D31 PolarHBondContact O-N 3.18Å; D31-Y34 PolarHBondContact O-N 3.37Å; D31-F35 WeakPolarHBondContact O-CB 3.45Å; D31-F35 PolarHBondContact O-N 3.42Å
32	D	42.5	Very low	38.7	Very low	94 Å²	94	92.4 Å²	92.4	50%	0.503	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-40	173.1	-94.2	-29.1	0	0	0	111.9	I28 F35 Q36	I28-D32 WeakPolarHBondContact O-CB 3.3Å; I28-D32 PolarHBondContact O-N 2.94Å; D32-F35 PolarHBondContact O-N 3.41Å; D32-Q36 VanDerWaalsContact O-CB 3.22Å; D32-Q36 WeakPolarHBondContact O-CB 3.32Å; D32-Q36 PolarHBondContact O-N 3.46Å
33	I	40.8	Very low	39.5	Very low	114 Å²	114	88.3 Å²	88.3	59%	0.585	48%	0.483	S	S	*	.	H	α-helix	trans	-63.4	-45.2	173.9	-73	164.4	0	0	0	110.7	A29 I30 Q36 A37	A29-I33 WeakPolarHBondContact O-CB 3.43Å; A29-I33 WeakPolarHBondContact O-CD1 3.48Å; A29-I33 WeakPolarHBondContact O-CG1 3.24Å; A29-I33 PolarHBondContact O-N 3.38Å; I30-I33 PolarHBondContact O-N 2.89Å; I33-Q36 PolarHBondContact O-N 3.39Å; I33-A37 VanDerWaalsContact O-CB 3.23Å; I33-A37 WeakPolarHBondContact O-CB 3.46Å; I33-A37 PolarHBondContact O-N 3.03Å
34	Y	39.5	Very low	40.1	Very low	167 Å²	167	86.8 Å²	86.8	66%	0.655	48%	0.484	S	S	*	.	H	α-helix	trans	-65.2	-38.6	175.7	-86.6	-68.7	0	0	0	112.1	I30 D31 A37 H38	I30-Y34 HydrophobicContact CG2-CD2 3.67Å; I30-Y34 HydrophobicContact CG2-CE2 3.7Å; I30-Y34 VanDerWaalsContact O-CD2 3.3Å; I30-Y34 WeakPolarHBondContact O-CD2 3.48Å; I30-Y34 PolarHBondContact O-N 3.18Å; D31-Y34 PolarHBondContact O-N 3.37Å; Y34-A37 PolarHBondContact O-N 3.48Å; Y34-H38 VanDerWaalsContact O-CB 3.25Å; Y34-H38 WeakPolarHBondContact O-CB 3.32Å; Y34-H38 PolarHBondContact O-N 3.03Å
35	F	39.2	Very low	40.9	Very low	114 Å²	114	84.9 Å²	84.9	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-69.3	-37.8	177.1	-175.6	-140	0	0	0	112.2	D31 D32 K39	D31-F35 WeakPolarHBondContact O-CB 3.45Å; D31-F35 PolarHBondContact O-N 3.42Å; D32-F35 PolarHBondContact O-N 3.41Å; F35-K39 VanDerWaalsContact CZ-NZ 3.33Å; F35-K39 WeakPolarHBondContact O-CB 3.28Å; F35-K39 VanDerWaalsContact O-CG 3.3Å; F35-K39 WeakPolarHBondContact O-CG 3.15Å; F35-K39 PolarHBondContact O-N 3.23Å
36	Q	43.3	Very low	41.7	Very low	144 Å²	144	81.1 Å²	81.1	67%	0.673	45%	0.453	S	S	*	.	H	α-helix	trans	-71.4	-38.9	174.3	-173.3	168	-6.6	0	0	111.7	D32 I33 K39 A40	D32-Q36 VanDerWaalsContact O-CB 3.22Å; D32-Q36 WeakPolarHBondContact O-CB 3.32Å; D32-Q36 PolarHBondContact O-N 3.46Å; I33-Q36 PolarHBondContact O-N 3.39Å; Q36-K39 PolarHBondContact O-N 3.38Å; Q36-A40 WeakPolarHBondContact O-CB 2.99Å; Q36-A40 PolarHBondContact O-N 3.32Å
37	A	38.8	Very low	42.5	Very low	48 Å²	48	82 Å²	82	40%	0.397	46%	0.46	S	S	.	.	H	α-helix	trans	-63.9	-44.1	171.5	0	0	0	0	0	111.5	I33 Y34 K39 A40 V41	I33-A37 VanDerWaalsContact O-CB 3.23Å; I33-A37 WeakPolarHBondContact O-CB 3.46Å; I33-A37 PolarHBondContact O-N 3.03Å; Y34-A37 PolarHBondContact O-N 3.48Å; A37-K39 PolarHBondContact O-N 3.15Å; A37-A40 WeakPolarHBondContact O-CB 3.49Å; A37-A40 PolarHBondContact O-N 3.05Å; A37-A40 VanDerWaalsContact O-N 3.15Å; A37-V41 WeakPolarHBondContact O-CG2 3.45Å; A37-V41 PolarHBondContact O-N 2.93Å
38	H	44.7	Very low	43.5	Very low	90 Å²	90	85.3 Å²	85.3	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-63.9	-40.7	176.5	-165.2	178.7	0	0	0	111.1	Y34 A40 V41 L42 F75	Y34-H38 VanDerWaalsContact O-CB 3.25Å; Y34-H38 WeakPolarHBondContact O-CB 3.32Å; Y34-H38 PolarHBondContact O-N 3.03Å; H38-A40 PolarHBondContact O-N 2.73Å; H38-V41 PolarHBondContact O-N 2.97Å; H38-L42 WeakPolarHBondContact O-CB 3.48Å; H38-L42 WeakPolarHBondContact O-CD1 3.5Å; H38-L42 VanDerWaalsContact O-CG 3.27Å; H38-L42 WeakPolarHBondContact O-CG 3.22Å; H38-L42 PolarHBondContact O-N 3.05Å; H38-F75 AromaticContact NE2-CE1 3.56Å
39	K	46.8	Very low	44.2	Very low	109 Å²	109	82.7 Å²	82.7	47%	0.474	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-40.9	170.2	-78.2	168.7	178.1	166.4	0	113.1	F35 Q36 A37 L42 A43	F35-K39 VanDerWaalsContact CZ-NZ 3.33Å; F35-K39 WeakPolarHBondContact O-CB 3.28Å; F35-K39 VanDerWaalsContact O-CG 3.3Å; F35-K39 WeakPolarHBondContact O-CG 3.15Å; F35-K39 PolarHBondContact O-N 3.23Å; Q36-K39 PolarHBondContact O-N 3.38Å; A37-K39 PolarHBondContact O-N 3.15Å; K39-L42 PolarHBondContact O-N 3.16Å; K39-A43 WeakPolarHBondContact O-CB 3.27Å; K39-A43 PolarHBondContact O-N 3.27Å
40	A	42.4	Very low	44.9	Very low	60 Å²	60	85.5 Å²	85.5	50%	0.496	45%	0.449	S	S	.	.	H	α-helix	trans	-66.4	-41.1	177	0	0	0	0	0	111.7	Q36 A37 H38 A43 A44	Q36-A40 WeakPolarHBondContact O-CB 2.99Å; Q36-A40 PolarHBondContact O-N 3.32Å; A37-A40 WeakPolarHBondContact O-CB 3.49Å; A37-A40 PolarHBondContact O-N 3.05Å; A37-A40 VanDerWaalsContact O-N 3.15Å; H38-A40 PolarHBondContact O-N 2.73Å; A40-A43 PolarHBondContact O-N 3.03Å; A40-A44 VanDerWaalsContact O-CB 3.3Å; A40-A44 WeakPolarHBondContact O-CB 3.15Å; A40-A44 PolarHBondContact O-N 3.25Å
41	V	45	Very low	45.5	Very low	74 Å²	74	86.9 Å²	86.9	45%	0.448	46%	0.455	S	S	.	.	H	α-helix	trans	-64.2	-45.6	172.9	171.1	0	0	0	0	111	A37 H38 A43 A44 C45 F75	A37-V41 WeakPolarHBondContact O-CG2 3.45Å; A37-V41 PolarHBondContact O-N 2.93Å; H38-V41 PolarHBondContact O-N 2.97Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.25Å; V41-A44 PolarHBondContact O-N 3.32Å; V41-C45 WeakPolarHBondContact O-CB 3.44Å; V41-C45 PolarHBondContact O-N 3.25Å; V41-C45 PolarHBondContact O-SG 3.29Å; V41-C45 VanDerWaalsContact O-SG 3.33Å; V41-F75 HydrophobicContact CG1-CZ 4.22Å
42	L	49.1	Very low	45.9	Very low	58 Å²	58	86.9 Å²	86.9	30%	0.304	45%	0.45	S	S	.	.	H	α-helix	trans	-58.6	-41.9	174.6	-77.8	162.8	0	0	0	112	H38 K39 S46 F75	H38-L42 WeakPolarHBondContact O-CB 3.48Å; H38-L42 WeakPolarHBondContact O-CD1 3.5Å; H38-L42 VanDerWaalsContact O-CG 3.27Å; H38-L42 WeakPolarHBondContact O-CG 3.22Å; H38-L42 PolarHBondContact O-N 3.05Å; K39-L42 PolarHBondContact O-N 3.16Å; L42-S46 WeakPolarHBondContact O-CB 3.49Å; L42-S46 PolarHBondContact O-N 2.78Å; L42-F75 HydrophobicContact CD2-CB 3.99Å; L42-F75 HydrophobicContact CD2-CD1 3.43Å; L42-F75 VanDerWaalsContact CD2-CD1 3.43Å; L42-F75 HydrophobicContact CD2-CD2 3.73Å; L42-F75 HydrophobicContact CD2-CE1 3.68Å; L42-F75 HydrophobicContact CD2-CE2 4Å; L42-F75 HydrophobicContact CD2-CG 3.43Å; L42-F75 VanDerWaalsContact CD2-CG 3.43Å; L42-F75 HydrophobicContact CD2-CZ 3.96Å; L42-F75 HydrophobicContact CG-CD1 4.39Å; L42-F75 HydrophobicContact CG-CE1 4.24Å; L42-F75 HydrophobicContact CG-CZ 4.47Å
43	A	49.4	Very low	46.2	Very low	53 Å²	53	86.2 Å²	86.2	44%	0.438	44%	0.442	S	S	.	.	H	α-helix	trans	-67.9	-41	175.7	0	0	0	0	0	112.2	K39 A40 V41 S46 S47	K39-A43 WeakPolarHBondContact O-CB 3.27Å; K39-A43 PolarHBondContact O-N 3.27Å; A40-A43 PolarHBondContact O-N 3.03Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.25Å; A43-S46 PolarHBondContact O-N 2.87Å; A43-S47 VanDerWaalsContact O-CB 3.32Å; A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 2.82Å; A43-S47 PolarHBondContact O-OG 3.17Å
44	A	44.9	Very low	46.5	Very low	60 Å²	60	85.8 Å²	85.8	50%	0.496	44%	0.439	S	S	.	.	H	α-helix	trans	-66.2	-46.8	176.6	0	0	0	0	0	111.5	A40 V41 S47 Y48	A40-A44 VanDerWaalsContact O-CB 3.3Å; A40-A44 WeakPolarHBondContact O-CB 3.15Å; A40-A44 PolarHBondContact O-N 3.25Å; V41-A44 PolarHBondContact O-N 3.32Å; A44-S47 CarbonylContact O-C 3.46Å; A44-S47 PolarHBondContact O-N 3.17Å; A44-Y48 WeakPolarHBondContact O-CB 3.36Å; A44-Y48 PolarHBondContact O-N 2.81Å
45	C	48.5	Very low	46.6	Very low	32 Å²	32	83.3 Å²	83.3	22%	0.216	44%	0.437	C	S	.	.	H	α-helix	trans	-62.5	-44.1	173.7	-69	0	0	0	0	111.5	V41 S47 Y48 F49 F75	V41-C45 WeakPolarHBondContact O-CB 3.44Å; V41-C45 PolarHBondContact O-N 3.25Å; V41-C45 PolarHBondContact O-SG 3.29Å; V41-C45 VanDerWaalsContact O-SG 3.33Å; C45-S47 VanDerWaalsContact C-N 3.26Å; C45-S47 PolarHBondContact O-N 3.27Å; C45-Y48 PolarHBondContact O-N 2.9Å; C45-F49 HydrophobicContact CB-CD2 4.47Å; C45-F49 HydrophobicContact CB-CE2 4.39Å; C45-F49 WeakPolarHBondContact O-CD2 3.24Å; C45-F49 PolarHBondContact O-N 3.27Å; C45-F75 HydrophobicContact CB-CE2 3.85Å
46	S	49.5	Very low	46.9	Very low	27 Å²	27	83.2 Å²	83.2	19%	0.189	44%	0.438	C	S	.	.	H	α-helix	trans	-62.9	-32.9	175.3	-169.6	0	0	0	0	112.3	L42 A43 R50	L42-S46 WeakPolarHBondContact O-CB 3.49Å; L42-S46 PolarHBondContact O-N 2.78Å; A43-S46 PolarHBondContact O-N 2.87Å; S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 2.91Å; S46-R50 PolarHBondContact OG-NH1 3.07Å
47	S	49.7	Very low	47.1	Very low	67 Å²	67	78.9 Å²	78.9	47%	0.469	42%	0.418	S	S	.	.	H	α-helix	trans	-73.7	-40.1	173.7	-55.4	0	0	0	0	112.1	A43 A44 C45 R50 M51	A43-S47 VanDerWaalsContact O-CB 3.32Å; A43-S47 WeakPolarHBondContact O-CB 3.34Å; A43-S47 PolarHBondContact O-N 2.82Å; A43-S47 PolarHBondContact O-OG 3.17Å; A44-S47 CarbonylContact O-C 3.46Å; A44-S47 PolarHBondContact O-N 3.17Å; C45-S47 VanDerWaalsContact C-N 3.26Å; C45-S47 PolarHBondContact O-N 3.27Å; S47-R50 PolarHBondContact O-N 3.02Å; S47-M51 WeakPolarHBondContact O-CB 3.26Å; S47-M51 PolarHBondContact O-N 3.16Å
48	Y	51.9	Low	47.4	Very low	141 Å²	141	84.8 Å²	84.8	55%	0.553	44%	0.437	S	S	*	.	H	α-helix	trans	-63.9	-44	174.6	179.6	-93.8	0	0	0	111.7	A44 C45 M51 F52	A44-Y48 WeakPolarHBondContact O-CB 3.36Å; A44-Y48 PolarHBondContact O-N 2.81Å; C45-Y48 PolarHBondContact O-N 2.9Å; Y48-M51 WeakPolarHBondContact O-CB 3.24Å; Y48-M51 PolarHBondContact O-N 3.31Å; Y48-F52 WeakPolarHBondContact O-CB 3.49Å; Y48-F52 PolarHBondContact O-N 3.28Å
49	F	52.5	Low	47.6	Very low	44 Å²	44	85.2 Å²	85.2	19%	0.193	45%	0.45	C	S	.	.	H	α-helix	trans	-66.1	-37.4	174.1	-74.2	-60.2	0	0	0	112	C45 F52 F53 I78 M82	C45-F49 HydrophobicContact CB-CD2 4.47Å; C45-F49 HydrophobicContact CB-CE2 4.39Å; C45-F49 WeakPolarHBondContact O-CD2 3.24Å; C45-F49 PolarHBondContact O-N 3.27Å; F49-F52 PolarHBondContact O-N 3.17Å; F49-F53 WeakPolarHBondContact O-CB 3.25Å; F49-F53 WeakPolarHBondContact O-CD2 3.46Å; F49-F53 PolarHBondContact O-N 3.15Å; F49-I78 HydrophobicContact CE1-CG2 4.48Å; F49-I78 HydrophobicContact CE2-CG2 3.84Å; F49-I78 HydrophobicContact CZ-CG2 3.5Å; F49-M82 HydrophobicContact CZ-SD 4.12Å
50	R	50.7	Low	47.5	Very low	106 Å²	106	84.7 Å²	84.7	40%	0.4	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-49.1	169.8	-80.5	-172.6	-178.1	83.2	1.5	111.7	S46 S47 F52 F53 M54 S66	S46-R50 WeakPolarHBondContact O-CG 3.41Å; S46-R50 PolarHBondContact O-N 2.91Å; S46-R50 PolarHBondContact OG-NH1 3.07Å; S47-R50 PolarHBondContact O-N 3.02Å; R50-F52 PolarHBondContact O-N 3.43Å; R50-F53 PolarHBondContact O-N 3.38Å; R50-M54 WeakPolarHBondContact O-CB 3.35Å; R50-M54 WeakPolarHBondContact O-CG 3.48Å; R50-M54 PolarHBondContact O-N 2.86Å; R50-S66 PolarHBondContact NE-O 2.92Å; R50-S66 PolarHBondContact NH2-O 2.99Å
51	M	49.5	Very low	47.6	Very low	117 Å²	117	86.6 Å²	86.6	58%	0.576	47%	0.472	S	S	*	.	H	α-helix	trans	-54.8	-49.1	175	-89.2	-70.9	-62.1	0	0	112.3	S47 Y48 M54 N55	S47-M51 WeakPolarHBondContact O-CB 3.26Å; S47-M51 PolarHBondContact O-N 3.16Å; Y48-M51 WeakPolarHBondContact O-CB 3.24Å; Y48-M51 PolarHBondContact O-N 3.31Å; M51-M54 PolarHBondContact O-N 3.48Å; M51-N55 PolarHBondContact O-N 3.14Å
52	F	45.3	Very low	47.7	Very low	106 Å²	106	92 Å²	92	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-44.9	-179.4	-170.8	-94.1	0	0	0	111.7	Y48 F49 R50 N55 H56	Y48-F52 WeakPolarHBondContact O-CB 3.49Å; Y48-F52 PolarHBondContact O-N 3.28Å; F49-F52 PolarHBondContact O-N 3.17Å; R50-F52 PolarHBondContact O-N 3.43Å; F52-N55 PolarHBondContact O-N 3.4Å; F52-H56 PolarHBondContact O-N 3.34Å
53	F	48.9	Very low	47.4	Very low	79 Å²	79	95 Å²	95	35%	0.346	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-35.2	174.6	-93.1	-87	0	0	0	113.2	F49 R50 H56 Q57 L65	F49-F53 WeakPolarHBondContact O-CB 3.25Å; F49-F53 WeakPolarHBondContact O-CD2 3.46Å; F49-F53 PolarHBondContact O-N 3.15Å; R50-F53 PolarHBondContact O-N 3.38Å; F53-H56 PolarHBondContact O-N 3.02Å; F53-Q57 WeakPolarHBondContact O-CB 3.2Å; F53-Q57 WeakPolarHBondContact O-CG 3.47Å; F53-Q57 PolarHBondContact O-N 3.11Å; F53-L65 HydrophobicContact CD1-CD1 3.96Å; F53-L65 HydrophobicContact CE1-CD1 3.7Å; F53-L65 HydrophobicContact CZ-CD1 4.13Å
54	M	46.8	Very low	46.9	Very low	106 Å²	106	98.7 Å²	98.7	52%	0.522	52%	0.521	S	S	.	.	H	α-helix	trans	-66.1	-43.9	175.5	-70.3	-126.3	67.8	0	0	111.4	R50 M51 H56 Q57 H58	R50-M54 WeakPolarHBondContact O-CB 3.35Å; R50-M54 WeakPolarHBondContact O-CG 3.48Å; R50-M54 PolarHBondContact O-N 2.86Å; M51-M54 PolarHBondContact O-N 3.48Å; M54-H56 VanDerWaalsContact C-N 3.28Å; M54-H56 PolarHBondContact O-N 2.75Å; M54-Q57 PolarHBondContact O-N 3.05Å; M54-H58 PolarHBondContact O-CD2 3.44Å
55	N	42.6	Very low	47	Very low	115 Å²	115	98.7 Å²	98.7	62%	0.615	51%	0.512	S	S	*	.	H	α-helix	trans	-59.9	-38.7	172.2	-79.2	5	0	0	0	111.8	M51 F52	M51-N55 PolarHBondContact O-N 3.14Å; F52-N55 PolarHBondContact O-N 3.4Å
56	H	44.5	Very low	46.7	Very low	111 Å²	111	99.9 Å²	99.9	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-75.9	-27.6	178.3	-124.6	-61.4	0	0	0	114.1	F52 F53 M54 H58 S59	F52-H56 PolarHBondContact O-N 3.34Å; F53-H56 PolarHBondContact O-N 3.02Å; M54-H56 VanDerWaalsContact C-N 3.28Å; M54-H56 PolarHBondContact O-N 2.75Å; H56-H58 PolarHBondContact O-N 3.45Å; H56-S59 PolarHBondContact O-N 3.24Å
57	Q	46.9	Very low	46.3	Very low	54 Å²	54	105.6 Å²	105.6	25%	0.252	55%	0.549	S	S	.	.	H	α-helix	trans	-61.4	-27.6	177.3	-89.3	178.9	-5.8	0	0	112.8	F53 M54 S59 T60 L63	F53-Q57 WeakPolarHBondContact O-CB 3.2Å; F53-Q57 WeakPolarHBondContact O-CG 3.47Å; F53-Q57 PolarHBondContact O-N 3.11Å; M54-Q57 PolarHBondContact O-N 3.05Å; Q57-S59 PolarHBondContact O-N 2.71Å; Q57-S59 VanDerWaalsContact O-N 3.09Å; Q57-T60 CarbonylContact O-C 3.41Å; Q57-T60 PolarHBondContact O-N 3.14Å; Q57-L63 PolarHBondContact NE2-O 2.88Å
58	H	46.6	Very low	46.2	Very low	172 Å²	172	107.3 Å²	107.3	80%	0.796	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-17.1	173.4	-77.5	-78.5	0	0	0	113.9	M54 H56	M54-H58 PolarHBondContact O-CD2 3.44Å; H56-H58 PolarHBondContact O-N 3.45Å
59	S	48.2	Very low	45.9	Very low	99 Å²	99	110.1 Å²	110.1	69%	0.692	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-15.5	175.6	-169	0	0	0	0	114.6	H56 Q57	H56-S59 PolarHBondContact O-N 3.24Å; Q57-S59 PolarHBondContact O-N 2.71Å; Q57-S59 VanDerWaalsContact O-N 3.09Å
60	T	43.8	Very low	45.8	Very low	97 Å²	97	110.6 Å²	110.6	60%	0.595	57%	0.57	S	S	*	*			trans	-150.1	98.1	179.9	55.1	0	0	0	0	111.6	Q57 Q62	Q57-T60 CarbonylContact O-C 3.41Å; Q57-T60 PolarHBondContact O-N 3.14Å; T60-Q62 PolarHBondContact O-N 3.3Å
61	A	44.8	Very low	46	Very low	101 Å²	101	108 Å²	108	84%	0.835	57%	0.568	S	S	*	*			trans	-82.9	88.4	179.2	0	0	0	0	0	112.1
62	Q	47.3	Very low	45.9	Very low	187 Å²	187	105.7 Å²	105.7	87%	0.874	57%	0.568	S	S	*	*			trans	-154.8	-8.2	168.1	-128.4	172.1	8.6	0	0	119.1	T60	T60-Q62 PolarHBondContact O-N 3.3Å
63	L	44	Very low	45.8	Very low	120 Å²	120	108.3 Å²	108.3	63%	0.628	58%	0.581	S	S	*	*			trans	-130.9	103.1	-178.5	-71.1	175.4	0	0	0	113.3	Q57 L65	Q57-L63 PolarHBondContact NE2-O 2.88Å; L63-L65 HydrophobicContact CB-CG 4.28Å; L63-L65 PolarHBondContact O-N 3.15Å; L63-L65 VanDerWaalsContact O-N 3.16Å
64	N	38.9	Very low	45.9	Very low	132 Å²	132	106 Å²	106	71%	0.706	58%	0.575	S	S	*	*			trans	-86	77.5	176.9	-168.7	-20.9	0	0	0	111.7	S66	N64-S66 PolarHBondContact O-N 3.2Å; N64-S66 VanDerWaalsContact O-N 3.09Å; N64-S66 VanDerWaalsContact OD1-CB 3.3Å; N64-S66 WeakPolarHBondContact OD1-CB 3.36Å; N64-S66 PolarHBondContact OD1-OG 2.86Å
65	L	45.5	Very low	46.4	Very low	60 Å²	60	101.3 Å²	101.3	31%	0.314	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-77	15.4	-176.3	-62.4	173.4	0	0	0	114.9	F53 L63 N67 M68	F53-L65 HydrophobicContact CD1-CD1 3.96Å; F53-L65 HydrophobicContact CE1-CD1 3.7Å; F53-L65 HydrophobicContact CZ-CD1 4.13Å; L63-L65 HydrophobicContact CB-CG 4.28Å; L63-L65 PolarHBondContact O-N 3.15Å; L63-L65 VanDerWaalsContact O-N 3.16Å; L65-N67 PolarHBondContact O-N 2.86Å; L65-N67 VanDerWaalsContact O-N 3.09Å; L65-M68 HydrophobicContact CD2-SD 4.31Å; L65-M68 WeakPolarHBondContact O-CB 3.31Å; L65-M68 PolarHBondContact O-N 3.49Å
66	S	43.4	Very low	46.7	Very low	57 Å²	57	100.3 Å²	100.3	40%	0.399	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-53.1	-34.2	-176.6	52	0	0	0	0	114	R50 N64	R50-S66 PolarHBondContact NE-O 2.92Å; R50-S66 PolarHBondContact NH2-O 2.99Å; N64-S66 PolarHBondContact O-N 3.2Å; N64-S66 VanDerWaalsContact O-N 3.09Å; N64-S66 VanDerWaalsContact OD1-CB 3.3Å; N64-S66 WeakPolarHBondContact OD1-CB 3.36Å; N64-S66 PolarHBondContact OD1-OG 2.86Å
67	N	40.9	Very low	47.2	Very low	147 Å²	147	97.7 Å²	97.7	79%	0.786	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-92.9	3.4	-178.9	-76.5	-35.8	0	0	0	115.5	L65 K69	L65-N67 PolarHBondContact O-N 2.86Å; L65-N67 VanDerWaalsContact O-N 3.09Å; N67-K69 PolarHBondContact O-N 3.4Å; N67-K69 VanDerWaalsContact O-N 3.17Å
68	M	47.9	Very low	47.6	Very low	103 Å²	103	96.1 Å²	96.1	51%	0.507	53%	0.529	S	S	.	.			trans	-67.1	115.7	-175.3	-163.3	175.7	83.5	0	0	112.2	L65 I70	L65-M68 HydrophobicContact CD2-SD 4.31Å; L65-M68 WeakPolarHBondContact O-CB 3.31Å; L65-M68 PolarHBondContact O-N 3.49Å; M68-I70 HydrophobicContact CE-CG1 4.03Å; M68-I70 PolarHBondContact O-N 3.04Å
69	K	44.4	Very low	47.9	Very low	199 Å²	199	90.5 Å²	90.5	87%	0.865	50%	0.504	S	S	*	.			trans	-85.9	101.9	172.8	-70.9	178.7	-178.7	171.3	0	109.5	N67 S71	N67-K69 PolarHBondContact O-N 3.4Å; N67-K69 VanDerWaalsContact O-N 3.17Å; K69-S71 PolarHBondContact O-N 3.44Å
70	I	51.9	Low	48	Very low	55 Å²	55	91.3 Å²	91.3	28%	0.282	50%	0.497	S	S	.	.			trans	-66.3	122.5	172.2	-55.6	171.8	0	0	0	108.1	M68 C74 F75	M68-I70 HydrophobicContact CE-CG1 4.03Å; M68-I70 PolarHBondContact O-N 3.04Å; I70-C74 HydrophobicContact CG2-CB 4.2Å; I70-F75 HydrophobicContact CG2-CB 4.17Å
71	S	53.8	Low	48.3	Very low	51 Å²	51	89.6 Å²	89.6	36%	0.357	48%	0.481	S	S	.	.			trans	-75.4	158.7	170.9	68.6	0	0	0	0	110.7	K69 E73 C74 F75	K69-S71 PolarHBondContact O-N 3.44Å; S71-E73 VanDerWaalsContact C-N 3.26Å; S71-E73 PolarHBondContact O-N 2.84Å; S71-C74 PolarHBondContact O-N 3.23Å; S71-C74 WeakPolarHBondContact OG-CB 3.41Å; S71-C74 PolarHBondContact OG-N 2.84Å; S71-C74 PolarHBondContact OG-SG 3.32Å; S71-F75 PolarHBondContact O-N 3.38Å
72	A	46.8	Very low	48.5	Very low	69 Å²	69	89.2 Å²	89.2	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-58.7	-40.3	176.7	0	0	0	0	0	111.8	C74 F75 D76	A72-C74 PolarHBondContact O-N 3.14Å; A72-F75 WeakPolarHBondContact O-CB 3.42Å; A72-F75 PolarHBondContact O-N 3.03Å; A72-F75 VanDerWaalsContact O-N 3.08Å; A72-D76 PolarHBondContact O-N 3.41Å
73	E	44.3	Very low	48.5	Very low	160 Å²	160	90.2 Å²	90.2	75%	0.748	46%	0.461	S	S	*	.	H	α-helix	trans	-63.5	-40.6	178.7	-63.9	165.2	173.2	0	0	112.1	S71 F75 L77	S71-E73 VanDerWaalsContact C-N 3.26Å; S71-E73 PolarHBondContact O-N 2.84Å; E73-F75 VanDerWaalsContact C-N 3.33Å; E73-L77 PolarHBondContact O-N 2.82Å; E73-L77 VanDerWaalsContact O-N 3.13Å
74	C	51.3	Low	48.4	Very low	31 Å²	31	89.6 Å²	89.6	21%	0.209	46%	0.457	C	S	.	.	H	α-helix	trans	-67.4	-32.9	172.6	-69.7	0	0	0	0	112.3	I70 S71 A72 I78	I70-C74 HydrophobicContact CG2-CB 4.2Å; S71-C74 PolarHBondContact O-N 3.23Å; S71-C74 WeakPolarHBondContact OG-CB 3.41Å; S71-C74 PolarHBondContact OG-N 2.84Å; S71-C74 PolarHBondContact OG-SG 3.32Å; A72-C74 PolarHBondContact O-N 3.14Å; C74-I78 WeakPolarHBondContact O-CB 3.47Å; C74-I78 WeakPolarHBondContact O-CD1 3.29Å; C74-I78 WeakPolarHBondContact O-CG1 3.24Å; C74-I78 PolarHBondContact O-N 3.43Å
75	F	56.5	Low	48.4	Very low	7 Å²	7	85 Å²	85	3%	0.031	44%	0.441	C	S	.	.	H	α-helix	trans	-69.5	-43	176.6	178	-107.9	0	0	0	112.3	H38 V41 L42 C45 I70 S71 A72 E73 L77 I78 L79	H38-F75 AromaticContact NE2-CE1 3.56Å; V41-F75 HydrophobicContact CG1-CZ 4.22Å; L42-F75 HydrophobicContact CD2-CB 3.99Å; L42-F75 HydrophobicContact CD2-CD1 3.43Å; L42-F75 VanDerWaalsContact CD2-CD1 3.43Å; L42-F75 HydrophobicContact CD2-CD2 3.73Å; L42-F75 HydrophobicContact CD2-CE1 3.68Å; L42-F75 HydrophobicContact CD2-CE2 4Å; L42-F75 HydrophobicContact CD2-CG 3.43Å; L42-F75 VanDerWaalsContact CD2-CG 3.43Å; L42-F75 HydrophobicContact CD2-CZ 3.96Å; L42-F75 HydrophobicContact CG-CD1 4.39Å; L42-F75 HydrophobicContact CG-CE1 4.24Å; L42-F75 HydrophobicContact CG-CZ 4.47Å; C45-F75 HydrophobicContact CB-CE2 3.85Å; I70-F75 HydrophobicContact CG2-CB 4.17Å; S71-F75 PolarHBondContact O-N 3.38Å; A72-F75 WeakPolarHBondContact O-CB 3.42Å; A72-F75 PolarHBondContact O-N 3.03Å; A72-F75 VanDerWaalsContact O-N 3.08Å; E73-F75 VanDerWaalsContact C-N 3.33Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.16Å; F75-I78 PolarHBondContact O-N 3.21Å; F75-L79 HydrophobicContact CD1-CD1 3.91Å; F75-L79 HydrophobicContact CD1-CG 4.37Å; F75-L79 HydrophobicContact CE1-CD1 3.35Å; F75-L79 HydrophobicContact CE1-CG 3.96Å; F75-L79 HydrophobicContact CE2-CD1 4.42Å; F75-L79 HydrophobicContact CE2-CG 4.16Å; F75-L79 HydrophobicContact CZ-CD1 3.65Å; F75-L79 HydrophobicContact CZ-CD2 4.2Å; F75-L79 HydrophobicContact CZ-CG 3.85Å; F75-L79 WeakPolarHBondContact O-CB 3.26Å; F75-L79 PolarHBondContact O-N 2.78Å
76	D	49.3	Very low	48.4	Very low	95 Å²	95	88.3 Å²	88.3	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-61.2	-40	173.9	-75.2	-26.9	0	0	0	111.2	A72 L79 Q80	A72-D76 PolarHBondContact O-N 3.41Å; D76-L79 PolarHBondContact O-N 2.84Å; D76-Q80 WeakPolarHBondContact O-CB 3.41Å; D76-Q80 PolarHBondContact O-N 3.12Å
77	L	53.8	Low	48.6	Very low	55 Å²	55	89.5 Å²	89.5	29%	0.288	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-45.4	174.5	-141.7	79.6	0	0	0	111.9	E73 F75 Q80 F81 M101 L104	E73-L77 PolarHBondContact O-N 2.82Å; E73-L77 VanDerWaalsContact O-N 3.13Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.16Å; L77-Q80 WeakPolarHBondContact O-CB 3.42Å; L77-Q80 PolarHBondContact O-N 2.64Å; L77-F81 HydrophobicContact CD2-CE2 3.97Å; L77-F81 HydrophobicContact CG-CD2 4.3Å; L77-F81 HydrophobicContact CG-CE2 3.94Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.06Å; L77-M101 HydrophobicContact CD2-CE 3.61Å; L77-L104 HydrophobicContact CD2-CD1 4.36Å
78	I	55.3	Low	48.7	Very low	22 Å²	22	90.7 Å²	90.7	11%	0.113	46%	0.457	C	S	.	.	H	α-helix	trans	-63.3	-45.3	177.2	-72.7	164.2	0	0	0	110.8	F49 C74 F75 Q80 F81 M82 F97	F49-I78 HydrophobicContact CE1-CG2 4.48Å; F49-I78 HydrophobicContact CE2-CG2 3.84Å; F49-I78 HydrophobicContact CZ-CG2 3.5Å; C74-I78 WeakPolarHBondContact O-CB 3.47Å; C74-I78 WeakPolarHBondContact O-CD1 3.29Å; C74-I78 WeakPolarHBondContact O-CG1 3.24Å; C74-I78 PolarHBondContact O-N 3.43Å; F75-I78 PolarHBondContact O-N 3.21Å; I78-Q80 VanDerWaalsContact C-N 3.31Å; I78-Q80 PolarHBondContact O-N 3.32Å; I78-F81 PolarHBondContact O-N 3.23Å; I78-M82 HydrophobicContact CG2-CG 4.49Å; I78-M82 HydrophobicContact CG2-SD 4.2Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 3.21Å; I78-F97 HydrophobicContact CG1-CZ 4.22Å
79	L	53.8	Low	48.3	Very low	53 Å²	53	90.5 Å²	90.5	28%	0.277	46%	0.462	S	S	.	.	H	α-helix	trans	-57.6	-44.3	172.8	-82.9	-178.7	0	0	0	111.2	F75 D76 F81 M82 Y83	F75-L79 HydrophobicContact CD1-CD1 3.91Å; F75-L79 HydrophobicContact CD1-CG 4.37Å; F75-L79 HydrophobicContact CE1-CD1 3.35Å; F75-L79 HydrophobicContact CE1-CG 3.96Å; F75-L79 HydrophobicContact CE2-CD1 4.42Å; F75-L79 HydrophobicContact CE2-CG 4.16Å; F75-L79 HydrophobicContact CZ-CD1 3.65Å; F75-L79 HydrophobicContact CZ-CD2 4.2Å; F75-L79 HydrophobicContact CZ-CG 3.85Å; F75-L79 WeakPolarHBondContact O-CB 3.26Å; F75-L79 PolarHBondContact O-N 2.78Å; D76-L79 PolarHBondContact O-N 2.84Å; L79-F81 PolarHBondContact O-N 3.01Å; L79-M82 PolarHBondContact O-N 3.12Å; L79-Y83 WeakPolarHBondContact O-CB 3.41Å; L79-Y83 WeakPolarHBondContact O-CD2 3.44Å; L79-Y83 PolarHBondContact O-N 3.34Å
80	Q	50.6	Low	47.8	Very low	116 Å²	116	84 Å²	84	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-41.9	178.3	-165.9	174.7	22.5	0	0	111.5	D76 L77 I78 L84	D76-Q80 WeakPolarHBondContact O-CB 3.41Å; D76-Q80 PolarHBondContact O-N 3.12Å; L77-Q80 WeakPolarHBondContact O-CB 3.42Å; L77-Q80 PolarHBondContact O-N 2.64Å; I78-Q80 VanDerWaalsContact C-N 3.31Å; I78-Q80 PolarHBondContact O-N 3.32Å; Q80-L84 HydrophobicContact CG-CD1 4.08Å; Q80-L84 VanDerWaalsContact O-CB 3.29Å; Q80-L84 WeakPolarHBondContact O-CB 3.47Å; Q80-L84 WeakPolarHBondContact O-CD1 3.13Å; Q80-L84 WeakPolarHBondContact O-CG 3.24Å; Q80-L84 PolarHBondContact O-N 3.35Å
81	F	48.7	Very low	47.6	Very low	61 Å²	61	86.7 Å²	86.7	27%	0.268	47%	0.466	S	S	.	.	H	α-helix	trans	-67.9	-34.1	174.3	-78	-64.6	0	0	0	113.4	L77 I78 L79 G85 K86 I87 F97	L77-F81 HydrophobicContact CD2-CE2 3.97Å; L77-F81 HydrophobicContact CG-CD2 4.3Å; L77-F81 HydrophobicContact CG-CE2 3.94Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L77-F81 PolarHBondContact O-N 3.06Å; I78-F81 PolarHBondContact O-N 3.23Å; L79-F81 PolarHBondContact O-N 3.01Å; F81-G85 PolarHBondContact O-N 3.07Å; F81-K86 HydrophobicContact CD1-CB 4.3Å; F81-K86 PolarHBondContact O-N 3.48Å; F81-K86 VanDerWaalsContact O-N 3.13Å; F81-I87 HydrophobicContact CB-CD1 3.84Å; F81-I87 HydrophobicContact CB-CG1 3.79Å; F81-F97 HydrophobicContact CD2-CD2 4.23Å; F81-F97 HydrophobicContact CD2-CE2 4.13Å; F81-F97 HydrophobicContact CE2-CD2 4.25Å; F81-F97 HydrophobicContact CE2-CE2 4.36Å
82	M	50.3	Low	47.2	Very low	93 Å²	93	88.2 Å²	88.2	46%	0.458	48%	0.477	S	S	.	.	H	α-helix	trans	-67.2	-48.3	172.1	-71.7	-179	71.5	0	0	111.9	F49 I78 L79 L84 G85 I87	F49-M82 HydrophobicContact CZ-SD 4.12Å; I78-M82 HydrophobicContact CG2-CG 4.49Å; I78-M82 HydrophobicContact CG2-SD 4.2Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 3.21Å; L79-M82 PolarHBondContact O-N 3.12Å; M82-L84 VanDerWaalsContact C-N 3.26Å; M82-L84 PolarHBondContact O-N 3.11Å; M82-G85 WeakPolarHBondContact O-CA 3.46Å; M82-G85 PolarHBondContact O-N 3.12Å; M82-I87 HydrophobicContact CG-CD1 3.72Å
83	Y	47.2	Very low	47	Very low	208 Å²	208	86.7 Å²	86.7	82%	0.816	46%	0.462	S	S	*	.	H	α-helix	trans	-65.5	-26.4	177.6	-92	-76.3	0	0	0	113.3	L79 G85	L79-Y83 WeakPolarHBondContact O-CB 3.41Å; L79-Y83 WeakPolarHBondContact O-CD2 3.44Å; L79-Y83 PolarHBondContact O-N 3.34Å; Y83-G85 VanDerWaalsContact C-N 3.29Å
84	L	42.2	Very low	47.3	Very low	107 Å²	107	84 Å²	84	56%	0.56	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	0.4	171	-69.7	170.5	0	0	0	113.3	Q80 M82 K86	Q80-L84 HydrophobicContact CG-CD1 4.08Å; Q80-L84 VanDerWaalsContact O-CB 3.29Å; Q80-L84 WeakPolarHBondContact O-CB 3.47Å; Q80-L84 WeakPolarHBondContact O-CD1 3.13Å; Q80-L84 WeakPolarHBondContact O-CG 3.24Å; Q80-L84 PolarHBondContact O-N 3.35Å; M82-L84 VanDerWaalsContact C-N 3.26Å; M82-L84 PolarHBondContact O-N 3.11Å; L84-K86 HydrophobicContact CB-CG 4.25Å; L84-K86 PolarHBondContact O-N 3.23Å
85	G	38.2	Very low	47.2	Very low	35 Å²	35	87 Å²	87	36%	0.361	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	-5.1	179.9	0	0	0	0	0	115.6	F81 M82 Y83 I87 M88	F81-G85 PolarHBondContact O-N 3.07Å; M82-G85 WeakPolarHBondContact O-CA 3.46Å; M82-G85 PolarHBondContact O-N 3.12Å; Y83-G85 VanDerWaalsContact C-N 3.29Å; G85-I87 PolarHBondContact O-N 2.93Å; G85-I87 VanDerWaalsContact O-N 3.13Å; G85-M88 PolarHBondContact O-N 2.64Å
86	K	44.9	Very low	46.9	Very low	130 Å²	130	93.5 Å²	93.5	57%	0.565	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.7	-166.8	-71.5	-168.7	174.1	-171.2	0	115.2	F81 L84 M88	F81-K86 HydrophobicContact CD1-CB 4.3Å; F81-K86 PolarHBondContact O-N 3.48Å; F81-K86 VanDerWaalsContact O-N 3.13Å; L84-K86 HydrophobicContact CB-CG 4.25Å; L84-K86 PolarHBondContact O-N 3.23Å; K86-M88 VanDerWaalsContact C-N 3.32Å
87	I	47.6	Very low	46.9	Very low	82 Å²	82	91.5 Å²	91.5	42%	0.421	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.6	175.2	-55.4	-171.1	0	0	0	111.7	F81 M82 G85	F81-I87 HydrophobicContact CB-CD1 3.84Å; F81-I87 HydrophobicContact CB-CG1 3.79Å; M82-I87 HydrophobicContact CG-CD1 3.72Å; G85-I87 PolarHBondContact O-N 2.93Å; G85-I87 VanDerWaalsContact O-N 3.13Å
88	M	43.2	Very low	46.7	Very low	173 Å²	173	93.2 Å²	93.2	85%	0.852	48%	0.481	S	S	*	.	S	Bend	trans	-89.7	-0.1	-168.5	-64.5	-166.3	69.3	0	0	115.6	G85 K86	G85-M88 PolarHBondContact O-N 2.64Å; K86-M88 VanDerWaalsContact C-N 3.32Å
89	T	41	Very low	46.6	Very low	99 Å²	99	96.3 Å²	96.3	61%	0.607	50%	0.501	S	S	*	.	S	Bend	trans	-135.3	116.5	-173.8	56.9	0	0	0	0	113.8	S93	T89-S93 PolarHBondContact O-OG 3.44Å
90	A	33.7	Very low	46.3	Very low	62 Å²	62	95.7 Å²	95.7	51%	0.512	50%	0.504	S	S	.	.			trans	66.3	136.8	171	0	0	0	0	0	117.7	S92 S93	A90-S92 PolarHBondContact O-N 2.93Å; A90-S93 WeakPolarHBondContact O-CB 3.46Å; A90-S93 PolarHBondContact O-N 2.74Å; A90-S93 VanDerWaalsContact O-N 3.12Å; A90-S93 PolarHBondContact O-OG 3.07Å
91	P	46.4	Very low	46.2	Very low	112 Å²	112	91.9 Å²	91.9	73%	0.727	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.8	-178.1	28.2	-35.8	0	0	0	113.9	S93 F94	P91-S93 PolarHBondContact O-N 2.9Å; P91-F94 WeakPolarHBondContact O-CB 3.48Å; P91-F94 PolarHBondContact O-N 3.07Å
92	S	46.1	Very low	45.9	Very low	83 Å²	83	95 Å²	95	58%	0.58	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-24.3	172.2	48.4	0	0	0	0	113.4	A90 F94	A90-S92 PolarHBondContact O-N 2.93Å; S92-F94 VanDerWaalsContact C-N 3.35Å
93	S	43.4	Very low	45.6	Very low	37 Å²	37	100.3 Å²	100.3	26%	0.259	52%	0.522	S	S	.	.	H	α-helix	trans	-71.9	-28.6	171.8	69.5	0	0	0	0	112.6	T89 A90 P91 Q96 F97	T89-S93 PolarHBondContact O-OG 3.44Å; A90-S93 WeakPolarHBondContact O-CB 3.46Å; A90-S93 PolarHBondContact O-N 2.74Å; A90-S93 VanDerWaalsContact O-N 3.12Å; A90-S93 PolarHBondContact O-OG 3.07Å; P91-S93 PolarHBondContact O-N 2.9Å; S93-Q96 PolarHBondContact O-N 3.24Å; S93-F97 PolarHBondContact O-N 2.97Å
94	F	50.4	Low	45.2	Very low	103 Å²	103	96 Å²	96	45%	0.452	51%	0.513	S	S	.	.	H	α-helix	trans	-72.1	-40.7	-176.5	-174.9	-100.7	0	0	0	112.3	P91 S92 Q96 F97 K98	P91-F94 WeakPolarHBondContact O-CB 3.48Å; P91-F94 PolarHBondContact O-N 3.07Å; S92-F94 VanDerWaalsContact C-N 3.35Å; F94-Q96 VanDerWaalsContact C-N 3.32Å; F94-Q96 PolarHBondContact O-N 3.3Å; F94-F97 WeakPolarHBondContact O-CB 3.39Å; F94-F97 PolarHBondContact O-N 3.01Å; F94-K98 HydrophobicContact CE1-CD 4.37Å; F94-K98 VanDerWaalsContact O-CB 3.27Å; F94-K98 WeakPolarHBondContact O-CB 3.4Å; F94-K98 PolarHBondContact O-N 3.12Å
95	E	49.3	Very low	45.1	Very low	93 Å²	93	97.6 Å²	97.6	44%	0.435	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-33.5	172.9	-73.3	-60.1	140.7	0	0	111.9	K98 V99	E95-K98 PolarHBondContact O-N 3.2Å; E95-K98 IonicContact OE1-NZ 2.65Å; E95-K98 PolarHBondContact OE1-NZ 3Å; E95-K98 WeakPolarHBondContact OE2-CD 3.38Å; E95-K98 IonicContact OE2-NZ 3.99Å; E95-K98 PolarHBondContact OE2-NZ 3.25Å; E95-V99 WeakPolarHBondContact O-CB 3.24Å; E95-V99 VanDerWaalsContact O-CG2 3.28Å; E95-V99 WeakPolarHBondContact O-CG2 3.39Å; E95-V99 PolarHBondContact O-N 2.94Å
96	Q	48.7	Very low	44.8	Very low	145 Å²	145	102.8 Å²	102.8	68%	0.678	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-40.7	172.1	-66.8	-178.3	6	0	0	111.9	S93 F94 A100	S93-Q96 PolarHBondContact O-N 3.24Å; F94-Q96 VanDerWaalsContact C-N 3.32Å; F94-Q96 PolarHBondContact O-N 3.3Å; Q96-A100 WeakPolarHBondContact O-CB 3.36Å; Q96-A100 PolarHBondContact O-N 3.33Å
97	F	49.3	Very low	44.5	Very low	53 Å²	53	105.1 Å²	105.1	23%	0.232	54%	0.542	C	S	.	.	H	α-helix	trans	-63	-44	173.1	176.7	-100.2	0	0	0	112	I78 F81 S93 F94 A100 M101	I78-F97 HydrophobicContact CG1-CZ 4.22Å; F81-F97 HydrophobicContact CD2-CD2 4.23Å; F81-F97 HydrophobicContact CD2-CE2 4.13Å; F81-F97 HydrophobicContact CE2-CD2 4.25Å; F81-F97 HydrophobicContact CE2-CE2 4.36Å; S93-F97 PolarHBondContact O-N 2.97Å; F94-F97 WeakPolarHBondContact O-CB 3.39Å; F94-F97 PolarHBondContact O-N 3.01Å; F97-A100 WeakPolarHBondContact O-CB 3.31Å; F97-A100 PolarHBondContact O-N 3.22Å; F97-M101 HydrophobicContact CD1-CG 4.29Å; F97-M101 HydrophobicContact CE1-CG 3.92Å; F97-M101 HydrophobicContact CE2-CE 4.2Å; F97-M101 HydrophobicContact CE2-CG 4.39Å; F97-M101 HydrophobicContact CE2-SD 4.45Å; F97-M101 HydrophobicContact CZ-CE 4.41Å; F97-M101 HydrophobicContact CZ-CG 3.97Å; F97-M101 HydrophobicContact CZ-SD 4.07Å; F97-M101 WeakPolarHBondContact O-CG 3.46Å; F97-M101 PolarHBondContact O-N 2.91Å
98	K	50.2	Low	43.6	Very low	91 Å²	91	107.6 Å²	107.6	40%	0.396	56%	0.556	S	S	.	*	H	α-helix	trans	-64.8	-40.3	177.4	179.6	173.2	157.7	-135	0	112.6	F94 E95 M101 N102	F94-K98 HydrophobicContact CE1-CD 4.37Å; F94-K98 VanDerWaalsContact O-CB 3.27Å; F94-K98 WeakPolarHBondContact O-CB 3.4Å; F94-K98 PolarHBondContact O-N 3.12Å; E95-K98 PolarHBondContact O-N 3.2Å; E95-K98 IonicContact OE1-NZ 2.65Å; E95-K98 PolarHBondContact OE1-NZ 3Å; E95-K98 WeakPolarHBondContact OE2-CD 3.38Å; E95-K98 IonicContact OE2-NZ 3.99Å; E95-K98 PolarHBondContact OE2-NZ 3.25Å; K98-M101 PolarHBondContact O-N 2.88Å; K98-N102 PolarHBondContact O-N 3.17Å
99	V	53.1	Low	42.8	Very low	87 Å²	87	104.8 Å²	104.8	53%	0.527	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-42.2	170.8	168.6	0	0	0	0	111.1	E95 M101 N102 Y103	E95-V99 WeakPolarHBondContact O-CB 3.24Å; E95-V99 VanDerWaalsContact O-CG2 3.28Å; E95-V99 WeakPolarHBondContact O-CG2 3.39Å; E95-V99 PolarHBondContact O-N 2.94Å; V99-M101 PolarHBondContact O-N 3.47Å; V99-N102 PolarHBondContact O-N 3.5Å; V99-Y103 WeakPolarHBondContact O-CB 3.21Å; V99-Y103 PolarHBondContact O-N 3.5Å
100	A	47.2	Very low	42.3	Very low	40 Å²	40	105.6 Å²	105.6	33%	0.331	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-37.9	176	0	0	0	0	0	112.9	Q96 F97 Y103 L104	Q96-A100 WeakPolarHBondContact O-CB 3.36Å; Q96-A100 PolarHBondContact O-N 3.33Å; F97-A100 WeakPolarHBondContact O-CB 3.31Å; F97-A100 PolarHBondContact O-N 3.22Å; A100-Y103 PolarHBondContact O-N 2.85Å; A100-L104 PolarHBondContact O-N 3.01Å
101	M	48.1	Very low	42.4	Very low	36 Å²	36	109.8 Å²	109.8	18%	0.177	57%	0.57	C	S	.	*	H	α-helix	trans	-65	-39.9	172.6	-69.3	-67.6	99	0	0	112.2	L77 F97 K98 V99 L104	L77-M101 HydrophobicContact CD2-CE 3.61Å; F97-M101 HydrophobicContact CD1-CG 4.29Å; F97-M101 HydrophobicContact CE1-CG 3.92Å; F97-M101 HydrophobicContact CE2-CE 4.2Å; F97-M101 HydrophobicContact CE2-CG 4.39Å; F97-M101 HydrophobicContact CE2-SD 4.45Å; F97-M101 HydrophobicContact CZ-CE 4.41Å; F97-M101 HydrophobicContact CZ-CG 3.97Å; F97-M101 HydrophobicContact CZ-SD 4.07Å; F97-M101 WeakPolarHBondContact O-CG 3.46Å; F97-M101 PolarHBondContact O-N 2.91Å; K98-M101 PolarHBondContact O-N 2.88Å; V99-M101 PolarHBondContact O-N 3.47Å; M101-L104 HydrophobicContact CE-CD1 3.94Å; M101-L104 PolarHBondContact O-N 3.16Å
102	N	44.1	Very low	41.8	Very low	126 Å²	126	109.8 Å²	109.8	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-66	-37.6	173.1	-88	-10.3	0	0	0	112.7	K98 V99 L104 Q105	K98-N102 PolarHBondContact O-N 3.17Å; V99-N102 PolarHBondContact O-N 3.5Å; N102-L104 PolarHBondContact O-N 3.35Å; N102-Q105 PolarHBondContact O-N 3.27Å; N102-Q105 VanDerWaalsContact O-N 3.12Å
103	Y	42.8	Very low	41.4	Very low	205 Å²	205	112.4 Å²	112.4	80%	0.804	58%	0.578	S	S	*	*	H	α-helix	trans	-65.5	-17.6	179	-142.3	-86.2	0	0	0	113.1	V99 A100	V99-Y103 WeakPolarHBondContact O-CB 3.21Å; V99-Y103 PolarHBondContact O-N 3.5Å; A100-Y103 PolarHBondContact O-N 2.85Å
104	L	38.6	Very low	41.2	Very low	117 Å²	117	118.1 Å²	118.1	61%	0.613	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	11.6	175.9	-71.3	165.9	0	0	0	114	L77 A100 M101 N102	L77-L104 HydrophobicContact CD2-CD1 4.36Å; A100-L104 PolarHBondContact O-N 3.01Å; M101-L104 HydrophobicContact CE-CD1 3.94Å; M101-L104 PolarHBondContact O-N 3.16Å; N102-L104 PolarHBondContact O-N 3.35Å
105	Q	40.6	Very low	40.2	Very low	140 Å²	140	121 Å²	121	65%	0.654	62%	0.62	S	S	*	*			trans	51	60.2	168.3	-68.9	-165.1	-33.8	0	0	116.6	N102 Y107	N102-Q105 PolarHBondContact O-N 3.27Å; N102-Q105 VanDerWaalsContact O-N 3.12Å; Q105-Y107 VanDerWaalsContact C-N 3.32Å; Q105-Y107 HydrophobicContact CB-CD2 4.23Å; Q105-Y107 HydrophobicContact CB-CE2 4.34Å; Q105-Y107 HydrophobicContact CG-CE2 4.23Å; Q105-Y107 PolarHBondContact O-N 2.98Å
106	L	32.9	Very low	39.5	Very low	144 Å²	144	123.2 Å²	123.2	75%	0.754	63%	0.634	S	S	*	*			trans	-73.9	79.5	162.3	-87.7	154.3	0	0	0	111.8
107	Y	36.7	Very low	38.6	Very low	180 Å²	180	125.2 Å²	125.2	71%	0.706	64%	0.643	S	S	*	*			trans	-89.1	145.1	161	-70.8	-73	0	0	0	109.8	Q105	Q105-Y107 VanDerWaalsContact C-N 3.32Å; Q105-Y107 HydrophobicContact CB-CD2 4.23Å; Q105-Y107 HydrophobicContact CB-CE2 4.34Å; Q105-Y107 HydrophobicContact CG-CE2 4.23Å; Q105-Y107 PolarHBondContact O-N 2.98Å
108	N	29.2	Very low	37.6	Very low	134 Å²	134	130.7 Å²	130.7	72%	0.717	68%	0.675	S	S	*	*			cis	-137.3	145.8	8.1	-100.3	-36.3	0	0	0	111.1
109	V	26.4	Very low	36.6	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.685	70%	0.697	S	S	*	*			trans	-131.2	124.1	147.4	177.7	0	0	0	0	106.3	D111	V109-D111 PolarHBondContact O-N 2.9Å
110	P	30.1	Very low	35.4	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	71%	0.71	S	S	*	*			trans	-76.6	114.2	172.1	-14.6	30.5	0	0	0	110.5	C112	P110-C112 PolarHBondContact O-N 3.44Å
111	D	37.1	Very low	34.3	Very low	151 Å²	151	138 Å²	138	81%	0.807	73%	0.732	S	S	*	*			trans	-86.2	91.7	170.7	-70.3	-44.9	0	0	0	110.4	V109	V109-D111 PolarHBondContact O-N 2.9Å
112	C	33.6	Very low	33.3	Very low	111 Å²	111	142.3 Å²	142.3	75%	0.75	77%	0.766	S	S	*	*			trans	-177.8	155.3	145.4	-104.6	0	0	0	0	110	P110	P110-C112 PolarHBondContact O-N 3.44Å
113	L	36.9	Very low	32.6	Very low	139 Å²	139	141.2 Å²	141.2	73%	0.728	77%	0.768	S	S	*	*			trans	-136.4	54.7	-171.3	-147.6	176.8	0	0	0	111.8	I116	L113-I116 HydrophobicContact CD2-CD1 4.18Å; L113-I116 HydrophobicContact CD2-CG1 4.45Å
114	E	40.3	Very low	32	Very low	157 Å²	157	136.3 Å²	136.3	73%	0.734	76%	0.763	S	S	*	*			trans	-100.8	172.2	159.3	-76.8	98	-140.3	0	0	110
115	D	29.4	Very low	31.5	Very low	163 Å²	163	139.6 Å²	139.6	87%	0.872	77%	0.773	S	S	*	*			trans	66	34	-177.6	-59.2	-10.7	0	0	0	117.2
116	I	33.4	Very low	30.5	Very low	140 Å²	140	138.6 Å²	138.6	72%	0.718	78%	0.78	S	S	*	*			trans	-102.1	72.2	146	-52.3	-177.5	0	0	0	109.3	L113	L113-I116 HydrophobicContact CD2-CD1 4.18Å; L113-I116 HydrophobicContact CD2-CG1 4.45Å
117	Q	31.1	Very low	30.1	Very low	186 Å²	186	136.9 Å²	136.9	87%	0.869	78%	0.78	S	S	*	*			trans	-162.5	88.3	161.1	-124.3	154.6	95.3	0	0	112.3
118	D	27.2	Very low	29.7	Very low	168 Å²	168	133.3 Å²	133.3	90%	0.898	78%	0.781	S	S	*	*			trans	-156.1	94.2	149.8	-120.1	-17.6	0	0	0	108.6
119	A	29.2	Very low	29.6	Very low	104 Å²	104	132.8 Å²	132.8	86%	0.86	79%	0.788	S	S	*	*			trans	-139.6	42.1	-171.5	0	0	0	0	0	111.9
120	D	27.5	Very low	29.6	Very low	152 Å²	152	132.4 Å²	132.4	81%	0.813	80%	0.797	S	S	*	*			trans	-121.6	106.4	-175.9	-115	-37.5	0	0	0	113.3
121	C	25.4	Very low	29.6	Very low	117 Å²	117	132.4 Å²	132.4	79%	0.791	80%	0.799	S	S	*	*				157.2	105	129.4	-86	0	0	0	0	112.1
122	S	27.3	Very low	29.1	Very low	126 Å²	126	130.5 Å²	130.5	88%	0.881	80%	0.798	S	S	*	*			trans	-88.2	118.6	169.2	59	0	0	0	0	112
123	S	29.8	Very low	29	Very low	102 Å²	102	133.3 Å²	133.3	71%	0.713	80%	0.797	S	S	*	*			trans	-141.2	66.6	174.1	57.5	0	0	0	0	115.4
124	S	29.7	Very low	28.9	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	80%	0.798	S	S	*	*			trans	62.1	120.9	140.7	67.2	0	0	0	0	122.5
125	K	26.8	Very low	28.2	Very low	187 Å²	187	134 Å²	134	81%	0.813	80%	0.802	S	S	*	*			trans	88	110.8	138.5	-67.5	166.2	-178.6	174.8	0	121.3
126	C	20.7	Very low	28.2	Very low	118 Å²	118	131.3 Å²	131.3	80%	0.797	80%	0.796	S	S	*	*			trans	60	127	133	-52.3	0	0	0	0	119.2
127	S	24.1	Very low	27.9	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	80%	0.804	S	S	*	*				-162	140.9	55.9	-60.9	0	0	0	0	115.7
128	S	29.4	Very low	27.7	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	81%	0.805	S	S	*	*			trans	47.5	130.4	136.9	-50.7	0	0	0	0	123.7
129	S	26.9	Very low	27.8	Very low	122 Å²	122	133.9 Å²	133.9	85%	0.853	80%	0.802	S	S	*	*			trans	70.9	145	153.5	21.1	0	0	0	0	118.6
130	A	26.7	Very low	27.5	Very low	105 Å²	105	138.6 Å²	138.6	87%	0.868	80%	0.803	S	S	*	*			cis	-144.2	173.3	1.9	0	0	0	0	0	112.8
131	S	28.1	Very low	27.4	Very low	116 Å²	116	135 Å²	135	81%	0.811	80%	0.803	S	S	*	*			trans	-95.6	145.7	-169.7	175.7	0	0	0	0	114.8
132	S	28	Very low	27.4	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	80%	0.801	S	S	*	*			trans	-169.6	108.9	133.8	-174.1	0	0	0	0	115.9
133	K	32	Very low	27.4	Very low	170 Å²	170	139.6 Å²	139.6	74%	0.739	80%	0.798	S	S	*	*			trans	20.4	127.6	143.8	-59.5	-179.8	179.6	179.5	0	123
134	Q	34.5	Very low	27.2	Very low	161 Å²	161	142.6 Å²	142.6	75%	0.752	80%	0.802	S	S	*	*			trans	51.7	118	131	-62.7	-179.7	-59.3	0	0	121.6
135	N	26	Very low	27.1	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	81%	0.806	S	S	*	*				169.8	165	92.9	-100.6	-33.1	0	0	0	114
136	S	27.7	Very low	27.2	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	81%	0.808	S	S	*	*			trans	-82.7	150	-171.7	55.7	0	0	0	0	116.2
137	K	26.9	Very low	27.5	Very low	204 Å²	204	149 Å²	149	89%	0.887	81%	0.81	S	S	*	*			trans	-172.5	144.3	131	-107.7	164	-176.4	173.3	0	112.9
138	M	28.2	Very low	27.7	Very low	181 Å²	181	150.1 Å²	150.1	89%	0.892	81%	0.812	S	S	*	*			trans	-92.5	149.4	166	-59.8	-156.7	-53.9	0	0	110.9
139	I	28	Very low	27.6	Very low	163 Å²	163	151.7 Å²	151.7	84%	0.836	82%	0.817	S	S	*	*			trans	-137.5	143.6	164.5	-67.5	-174.2	0	0	0	108.5
140	F	23.7	Very low	27.6	Very low	202 Å²	202	150.2 Å²	150.2	89%	0.886	81%	0.812	S	S	*	*			trans	-71.2	155.5	-179.3	-81.6	-110.6	0	0	0	113.3
141	G	26.1	Very low	27.7	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	81%	0.813	S	S	*	*			trans	-145.6	123.4	160.8	0	0	0	0	0	110.7
142	V	24.7	Very low	27.7	Very low	124 Å²	124	158.5 Å²	158.5	75%	0.752	82%	0.815	S	S	*	*			trans	-104.9	133	170.5	175.2	0	0	0	0	107.7
143	R	27.2	Very low	27.7	Very low	215 Å²	215	155.9 Å²	155.9	81%	0.811	81%	0.806	S	S	*	*			trans	-102	127.2	163.3	-75.3	-175.1	178.1	-114.5	3.9	108.5
144	M	24.9	Very low	27.5	Very low	164 Å²	164	156.1 Å²	156.1	81%	0.808	82%	0.816	S	S	*	*			trans	-79.4	147.8	159.9	-60.9	-68.2	-70.7	0	0	108.2
145	Y	27.7	Very low	27.2	Very low	204 Å²	204	157.4 Å²	157.4	80%	0.8	82%	0.822	S	S	*	*			trans	-135.7	151.1	158.1	-104.2	-85.3	0	0	0	108.6
146	E	29.7	Very low	27.3	Very low	181 Å²	181	154.5 Å²	154.5	85%	0.846	82%	0.819	S	S	*	*			trans	-101	140.2	-171.3	-62.7	168.8	124.3	0	0	110.5
147	D	26.1	Very low	27.3	Very low	158 Å²	158	156.2 Å²	156.2	85%	0.845	82%	0.819	S	S	*	*			trans	-80.6	123.1	174.2	-93.9	-45.1	0	0	0	111.6
148	T	28.6	Very low	27.3	Very low	131 Å²	131	154.7 Å²	154.7	80%	0.804	81%	0.808	S	S	*	*			trans	-121.1	90.9	166.7	59	0	0	0	0	110.4	A150	T148-A150 PolarHBondContact O-N 3.24Å; T148-A150 VanDerWaalsContact O-N 3.09Å
149	V	27.7	Very low	27.1	Very low	139 Å²	139	155.5 Å²	155.5	84%	0.842	80%	0.802	S	S	*	*			trans	-72.5	101.9	179.2	179.3	0	0	0	0	110.5
150	A	28.1	Very low	26.9	Very low	91 Å²	91	153.2 Å²	153.2	75%	0.752	80%	0.798	S	S	*	*			trans	-91.4	107.1	172.9	0	0	0	0	0	110.9	T148 N152	T148-A150 PolarHBondContact O-N 3.24Å; T148-A150 VanDerWaalsContact O-N 3.09Å; A150-N152 PolarHBondContact O-N 2.98Å
151	R	28.8	Very low	27	Very low	231 Å²	231	148.4 Å²	148.4	87%	0.872	80%	0.796	S	S	*	*			trans	-57.6	127.7	170.9	176	-168.5	72.8	-176.5	3.4	110.9
152	N	26.8	Very low	26.8	Very low	163 Å²	163	153.2 Å²	153.2	87%	0.872	80%	0.798	S	S	*	*			trans	-144.7	137.6	155.5	-98.5	-25.9	0	0	0	111.1	A150	A150-N152 PolarHBondContact O-N 2.98Å
153	G	27.5	Very low	27.5	Very low	57 Å²	57	151.9 Å²	151.9	59%	0.588	79%	0.792	S	S	*	*			trans	-143	154.6	159.3	0	0	0	0	0	107.5
154	N	28.1	Very low	27.4	Very low	175 Å²	175	147 Å²	147	94%	0.936	79%	0.79	S	S	*	*			trans	-172.7	138.8	157.5	-94.6	-18.4	0	0	0	108
155	E	28	Very low	27.4	Very low	188 Å²	188	143.3 Å²	143.3	88%	0.879	78%	0.78	S	S	*	*			trans	-97.2	152.1	172.4	-68.8	-170.3	116.3	0	0	111.3
156	A	29.2	Very low	27.3	Very low	90 Å²	90	139.6 Å²	139.6	74%	0.744	78%	0.779	S	S	*	*			trans	66.4	152.5	160.8	0	0	0	0	0	117
157	N	28.1	Very low	27.1	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	77%	0.772	S	S	*	*			cis	-151.6	132.6	14.4	-136.8	-22	0	0	0	112.7
158	R	26.3	Very low	27.1	Very low	173 Å²	173	135.4 Å²	135.4	65%	0.653	77%	0.767	S	S	*	*			trans	55.5	119.7	132.1	-171.7	173.2	-169.4	158.2	5.5	122.2
159	W	23.6	Very low	27	Very low	198 Å²	198	135 Å²	135	75%	0.75	76%	0.764	S	S	*	*			trans	93.4	106.9	142.5	-78.7	-20.9	0	0	0	122.8
160	C	24.3	Very low	27.8	Very low	114 Å²	114	132.9 Å²	132.9	77%	0.77	75%	0.753	S	S	*	*				88.5	154.8	121.2	-67.6	0	0	0	0	121.9
161	A	25.4	Very low	27.7	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	75%	0.753	S	S	*	*			trans	79.3	97.6	171.4	0	0	0	0	0	118.4
162	E	22.7	Very low	27.4	Very low	180 Å²	180	130.5 Å²	130.5	84%	0.841	74%	0.74	S	S	*	*			trans	-60	177.6	146.3	-104.1	-172.3	-150	0	0	112.8
163	P	38.8	Very low	27.3	Very low	96 Å²	96	132.9 Å²	132.9	62%	0.623	74%	0.736	S	S	*	*			cis	-135.2	-179.3	-22.9	35.7	-19.1	0	0	0	113.2
164	S	24.7	Very low	27.2	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	75%	0.746	S	S	*	*			trans	65.6	162.4	150.5	-76.1	0	0	0	0	118
165	S	24.3	Very low	28	Very low	86 Å²	86	134.2 Å²	134.2	60%	0.601	73%	0.73	S	S	*	*			cis	-166.1	177.7	-22.6	53.3	0	0	0	0	107.3
166	T	27	Very low	27.8	Very low	126 Å²	126	131.8 Å²	131.8	77%	0.773	72%	0.723	S	S	*	*			trans	61.6	148	158.2	48.7	0	0	0	0	118.9
167	V	25.4	Very low	27.8	Very low	115 Å²	115	135.1 Å²	135.1	70%	0.697	72%	0.723	S	S	*	*			cis	169	150.5	-22.5	129.4	0	0	0	0	105
168	N	25.3	Very low	27.7	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	73%	0.725	S	S	*	*			trans	74.4	106.9	169	-65.4	-18	0	0	0	121.4
169	T	26.6	Very low	27.8	Very low	122 Å²	122	133.7 Å²	133.7	75%	0.748	73%	0.731	S	S	*	*				4.3	171.2	107.7	27.8	0	0	0	0	121
170	P	43.8	Very low	27.9	Very low	95 Å²	95	132 Å²	132	62%	0.617	74%	0.736	S	S	*	*			cis	-139.6	-174.6	-12.1	33.4	-11.9	0	0	0	116
171	H	26.6	Very low	28	Very low	162 Å²	162	135 Å²	135	75%	0.75	74%	0.739	S	S	*	*			trans	68.8	155.9	152.4	-73.4	-46.4	0	0	0	118.4
172	N	23.3	Very low	27.9	Very low	110 Å²	110	137.7 Å²	137.7	59%	0.588	74%	0.738	S	S	*	*			cis	-160.5	155.3	-8.3	-120.4	-15	0	0	0	112.1
173	R	24.5	Very low	28	Very low	212 Å²	212	132.2 Å²	132.2	80%	0.8	73%	0.73	S	S	*	*			trans	66.2	127.5	146.4	-73.5	178.7	179.3	177.6	-1.6	122.3
174	E	24.5	Very low	27.2	Very low	169 Å²	169	135.4 Å²	135.4	79%	0.79	74%	0.742	S	S	*	*				45.4	160.5	113	-54.8	-71.2	120.7	0	0	121.4
175	P	46.3	Very low	27.1	Very low	92 Å²	92	139 Å²	139	60%	0.597	74%	0.744	S	S	*	*			cis	-133.7	-168.3	-6.6	21.8	5.4	0	0	0	113.8
176	D	23	Very low	27.5	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	75%	0.752	S	S	*	*				142.2	138	122.1	-78.3	-26	0	0	0	118
177	E	28.9	Very low	27.4	Very low	159 Å²	159	141 Å²	141	74%	0.743	75%	0.745	S	S	*	*			trans	47	109.9	151	-55.7	-71.2	89	0	0	120
178	E	27.2	Very low	28	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	74%	0.744	S	S	*	*				73.6	116.1	77.3	-79.6	-118.3	138.6	0	0	116.7
179	S	26.5	Very low	27.9	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	74%	0.738	S	S	*	*			trans	-174.2	120.8	141.5	-85.9	0	0	0	0	114.3
180	L	25.8	Very low	27.8	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	74%	0.738	S	S	*	*			trans	31	120.1	139.8	-48.9	177.4	0	0	0	119
181	Q	27.5	Very low	26.8	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	74%	0.743	S	S	*	*			cis	73.1	147.3	34.5	-67.3	-155.1	19.4	0	0	119
182	L	23.6	Very low	26.6	Very low	158 Å²	158	142.7 Å²	142.7	83%	0.827	75%	0.748	S	S	*	*			trans	76.2	133.8	177.1	-87.7	64.2	0	0	0	118.1
183	G	23.4	Very low	26.6	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	75%	0.754	S	S	*	*			cis	170.8	-160.8	-6.1	0	0	0	0	0	116.9
184	N	23.1	Very low	26.8	Very low	164 Å²	164	141.3 Å²	141.3	88%	0.877	76%	0.755	S	S	*	*			trans	100	102.7	166.8	-59	-10.4	0	0	0	119.7
185	F	22.3	Very low	26.9	Very low	188 Å²	188	142.5 Å²	142.5	83%	0.825	76%	0.758	S	S	*	*			trans	-66.6	173.8	153.8	-92.7	-86.3	0	0	0	111.8
186	P	32.3	Very low	25.9	Very low	117 Å²	117	142.8 Å²	142.8	76%	0.76	76%	0.761	S	S	*	*			cis	-126.1	167.6	39.1	30.4	-7.4	0	0	0	115.7
187	E	25.6	Very low	26.1	Very low	135 Å²	135	140.6 Å²	140.6	63%	0.631	76%	0.757	S	S	*	*			cis	67.9	154.6	47.5	-103.4	-149.5	153.8	0	0	114.7	L189	E187-L189 WeakPolarHBondContact OE1-CD1 3.28Å
188	P	39	Very low	26	Very low	103 Å²	103	139.5 Å²	139.5	67%	0.669	76%	0.761	S	S	*	*			cis	-138.5	152.7	4	39.6	-20.4	0	0	0	119
189	L	21.9	Very low	26	Very low	116 Å²	116	135.8 Å²	135.8	61%	0.607	75%	0.754	S	S	*	*				49.3	148.2	127.8	-59.3	165.4	0	0	0	127.4	E187	E187-L189 WeakPolarHBondContact OE1-CD1 3.28Å
190	F	24.1	Very low	26.1	Very low	169 Å²	169	139.5 Å²	139.5	74%	0.741	76%	0.756	S	S	*	*			trans	90.7	118.2	141.2	-73.2	-49.3	0	0	0	125.3
191	D	23.8	Very low	26.2	Very low	138 Å²	138	139.9 Å²	139.9	74%	0.738	76%	0.758	S	S	*	*			trans	9	144.6	135.9	-74.3	-60.8	0	0	0	123
192	V	22.7	Very low	26.2	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	76%	0.756	S	S	*	*				-170.3	155.4	104.2	143.2	0	0	0	0	112.8
193	C	22.9	Very low	26.4	Very low	105 Å²	105	136 Å²	136	71%	0.709	76%	0.758	S	S	*	*			trans	-106.5	172.8	-168.3	174.9	0	0	0	0	114.5
194	K	27.9	Very low	26.9	Very low	188 Å²	188	138.7 Å²	138.7	82%	0.817	76%	0.763	S	S	*	*			trans	102.4	140.1	174.6	-61	149.6	-168.1	165.5	0	112.6
195	K	27.9	Very low	27.2	Very low	195 Å²	195	140.6 Å²	140.6	85%	0.848	76%	0.764	S	S	*	*			cis	-156.8	165.6	0.1	-106.9	-177	178.2	-178.2	0	105.7
196	S	25	Very low	27.4	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	77%	0.766	S	S	*	*			cis	-169.4	-164.5	-17.2	57.9	0	0	0	0	106.8
197	S	27.3	Very low	27.2	Very low	92 Å²	92	145.8 Å²	145.8	64%	0.643	77%	0.771	S	S	*	*			cis	-167.1	145.5	5.4	15.5	0	0	0	0	110.8
198	V	26.3	Very low	27.4	Very low	135 Å²	135	145.6 Å²	145.6	82%	0.818	78%	0.779	S	S	*	*			trans	38	116.2	138	-172.7	0	0	0	0	117.7
199	S	27.2	Very low	26.9	Very low	94 Å²	94	145.7 Å²	145.7	66%	0.657	78%	0.781	S	S	*	*			cis	-173.1	-174.8	7.2	48.3	0	0	0	0	108.4
200	K	29	Very low	27.4	Very low	190 Å²	190	150.9 Å²	150.9	83%	0.826	79%	0.793	S	S	*	*			cis	-152.6	158.3	22.7	-58.6	174.6	-177.9	177.4	0	112.8
201	L	26.8	Very low	27.9	Very low	171 Å²	171	154.6 Å²	154.6	90%	0.895	80%	0.802	S	S	*	*			trans	23.8	109.2	143.1	-166.6	75.1	0	0	0	120.5
202	S	29.1	Very low	28.5	Very low	111 Å²	111	157.3 Å²	157.3	78%	0.776	81%	0.808	S	S	*	*				-174.1	151.7	118.4	45.5	0	0	0	0	111.5
203	T	27.5	Very low	29.6	Very low	143 Å²	143	153.9 Å²	153.9	88%	0.877	80%	0.801	S	S	*	*			trans	-120	130.5	172.3	46.2	0	0	0	0	110.5
204	P	33.3	Very low	31	Very low	120 Å²	120	159 Å²	159	78%	0.779	81%	0.806	S	S	*	*			trans	-108.1	136	154.7	33.4	-25.4	0	0	0	110.2	E206	P204-E206 PolarHBondContact O-N 3.47Å
205	K	29	Very low	32.6	Very low	205 Å²	205	154.6 Å²	154.6	89%	0.891	80%	0.799	S	S	*	*			trans	-62.5	131.5	168.1	-82.7	-176.9	173.7	180	0	109.6	R207	K205-R207 PolarHBondContact O-N 3.27Å
206	E	26.2	Very low	34.3	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	77%	0.768	S	S	*	*			trans	-62.1	105.9	174.9	-170.4	172.3	-174.8	0	0	110.5	P204 V208	P204-E206 PolarHBondContact O-N 3.47Å; E206-V208 PolarHBondContact O-N 2.79Å
207	R	29.9	Very low	36.5	Very low	227 Å²	227	146.5 Å²	146.5	86%	0.857	76%	0.757	S	S	*	*			trans	-79.8	103.5	171.9	-91.6	-170.1	170.6	116	-6.3	108.9	K205 S209	K205-R207 PolarHBondContact O-N 3.27Å; R207-S209 PolarHBondContact O-N 2.69Å
208	V	28	Very low	38.8	Very low	132 Å²	132	142.2 Å²	142.2	80%	0.8	73%	0.727	S	S	*	*			trans	-52.6	106.5	168.3	179.2	0	0	0	0	109.4	E206 R210	E206-V208 PolarHBondContact O-N 2.79Å; V208-R210 PolarHBondContact O-N 2.89Å
209	S	29	Very low	40.9	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	73%	0.729	S	S	*	*			trans	-77.9	119	174.7	-68.6	0	0	0	0	109.1	R207 R211	R207-S209 PolarHBondContact O-N 2.69Å; S209-R211 PolarHBondContact O-N 2.95Å
210	R	32.5	Very low	42.7	Very low	225 Å²	225	141.8 Å²	141.8	85%	0.849	72%	0.718	S	S	*	*			trans	-64	121.8	175.6	-64	-179.9	-179.7	-178.1	-1.2	108.8	V208 F212	V208-R210 PolarHBondContact O-N 2.89Å; R210-F212 PolarHBondContact O-N 3.09Å
211	R	34.2	Very low	44.9	Very low	248 Å²	248	135 Å²	135	94%	0.936	69%	0.694	S	S	*	*			trans	-73.2	112.9	171.4	-56.6	-174.5	-161.5	-170.2	6.6	108.3	S209	S209-R211 PolarHBondContact O-N 2.95Å
212	F	37.6	Very low	47	Very low	194 Å²	194	129.7 Å²	129.7	85%	0.851	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-76.9	169.2	161.6	-102.7	-96.9	0	0	0	110.2	R210	R210-F212 PolarHBondContact O-N 3.09Å
213	G	44.5	Very low	48.8	Very low	70 Å²	70	131 Å²	131	72%	0.722	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-63.9	168.2	-170.9	0	0	0	0	0	115.1	S215	G213-S215 PolarHBondContact O-N 3.06Å
214	R	52	Low	50.7	Low	213 Å²	213	126.5 Å²	126.5	80%	0.804	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-62	123	173.6	-69.8	175.8	174.1	163	-3.6	109.8	F216	R214-F216 HydrophobicContact CB-CE2 4.08Å; R214-F216 HydrophobicContact CB-CZ 4.27Å; R214-F216 VanDerWaalsContact O-CD2 3.31Å; R214-F216 WeakPolarHBondContact O-CD2 3.46Å; R214-F216 WeakPolarHBondContact O-CE2 3.47Å
215	S	62.3	Low	52.8	Low	95 Å²	95	122.4 Å²	122.4	66%	0.664	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-82.1	127.3	166.1	53.1	0	0	0	0	109.7	G213	G213-S215 PolarHBondContact O-N 3.06Å
216	F	64.8	Low	54.7	Low	45 Å²	45	117.7 Å²	117.7	20%	0.197	62%	0.618	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	117.6	-179.2	-66.1	-95.6	0	0	0	109.1	R214 F225 E228 L231	R214-F216 HydrophobicContact CB-CE2 4.08Å; R214-F216 HydrophobicContact CB-CZ 4.27Å; R214-F216 VanDerWaalsContact O-CD2 3.31Å; R214-F216 WeakPolarHBondContact O-CD2 3.46Å; R214-F216 WeakPolarHBondContact O-CE2 3.47Å; F216-F225 HydrophobicContact CB-CB 4.48Å; F216-F225 PolarHBondContact N-O 3.27Å; F216-F225 WeakPolarHBondContact O-CD2 3.49Å; F216-F225 PolarHBondContact O-N 3.06Å; F216-E228 HydrophobicContact CD1-CB 3.92Å; F216-E228 HydrophobicContact CD1-CG 3.87Å; F216-E228 HydrophobicContact CE1-CB 3.62Å; F216-E228 VanDerWaalsContact CE1-CD 3.45Å; F216-E228 HydrophobicContact CE1-CG 3.6Å; F216-E228 HydrophobicContact CE2-CB 4.25Å; F216-E228 HydrophobicContact CG-CB 4.35Å; F216-E228 HydrophobicContact CZ-CB 3.8Å; F216-E228 HydrophobicContact CZ-CG 4.25Å; F216-L231 HydrophobicContact CB-CB 4.17Å; F216-L231 HydrophobicContact CB-CD2 3.9Å
217	T	71	Confident	56.7	Low	76 Å²	76	111.2 Å²	111.2	47%	0.466	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.7	138.6	-177.1	47.9	0	0	0	0	112	F223	T217-F223 CarbonylContact C-O 3.59Å; T217-F223 WeakPolarHBondContact CA-O 3.49Å
218	C	74.7	Confident	58.3	Low	2 Å²	2	106 Å²	106	1%	0.014	58%	0.578	C	S	.	*			trans	-84.5	115.2	174.5	-177.6	0	0	0	0	111.9	S220 C221 G222 F223 F225 L231	C218-S220 PolarHBondContact O-N 2.93Å; C218-C221 VanDerWaalsContact CB-SG 3.55Å; C218-C221 PolarHBondContact O-N 3.28Å; C218-C221 VanDerWaalsContact O-N 3.1Å; C218-G222 WeakPolarHBondContact O-CA 3.39Å; C218-G222 PolarHBondContact O-N 3.28Å; C218-F223 PolarHBondContact N-O 3.34Å; C218-F225 HydrophobicContact CB-CE2 4.07Å; C218-L231 VanDerWaalsContact CA-CD1 3.44Å; C218-L231 HydrophobicContact CB-CD1 3.41Å; C218-L231 VanDerWaalsContact CB-CD1 3.41Å
219	D	70.3	Confident	60.3	Low	160 Å²	160	107.9 Å²	107.9	86%	0.856	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-18.9	-179.5	-61.6	-30.2	0	0	0	114.5
220	S	64.9	Low	62.4	Low	61 Å²	61	106.8 Å²	106.8	43%	0.427	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-12.4	179.4	-60	0	0	0	0	114.4	C218 N240	C218-S220 PolarHBondContact O-N 2.93Å; S220-N240 VanDerWaalsContact O-CB 3.23Å; S220-N240 WeakPolarHBondContact O-CB 3.41Å
221	C	75.3	Confident	64.5	Low	46 Å²	46	97.3 Å²	97.3	31%	0.311	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	-7.3	-175.2	65.8	0	0	0	0	115.5	C218 F223 H234	C218-C221 VanDerWaalsContact CB-SG 3.55Å; C218-C221 PolarHBondContact O-N 3.28Å; C218-C221 VanDerWaalsContact O-N 3.1Å; C221-F223 PolarHBondContact O-N 3.34Å; C221-H234 PolarHBondContact SG-NE2 2.96Å
222	G	70.8	Confident	66.2	Low	61 Å²	61	89.8 Å²	89.8	63%	0.629	51%	0.505	S	S	*	.			trans	75	0	-179.1	0	0	0	0	0	115.5	C218	C218-G222 WeakPolarHBondContact O-CA 3.39Å; C218-G222 PolarHBondContact O-N 3.28Å
223	F	67.6	Low	68.1	Low	139 Å²	139	86.8 Å²	86.8	61%	0.61	49%	0.494	S	S	*	.			trans	-69.4	136	-178.9	-122.2	-93.5	0	0	0	111.6	T217 C218 C221 F225	T217-F223 CarbonylContact C-O 3.59Å; T217-F223 WeakPolarHBondContact CA-O 3.49Å; C218-F223 PolarHBondContact N-O 3.34Å; C221-F223 PolarHBondContact O-N 3.34Å; F223-F225 HydrophobicContact CB-CE2 3.98Å; F223-F225 HydrophobicContact CB-CZ 4.03Å; F223-F225 WeakPolarHBondContact O-CE2 3.49Å
224	G	66.1	Low	69.7	Low	48 Å²	48	85.8 Å²	85.8	50%	0.495	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.8	180	0	0	0	0	0	112.5
225	F	77.6	Confident	70.8	Confident	34 Å²	34	79.6 Å²	79.6	15%	0.149	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.6	-178.8	-59.6	-84	0	0	0	110.8	F216 C218 F223 C227 L230 L231 H234	F216-F225 HydrophobicContact CB-CB 4.48Å; F216-F225 PolarHBondContact N-O 3.27Å; F216-F225 WeakPolarHBondContact O-CD2 3.49Å; F216-F225 PolarHBondContact O-N 3.06Å; C218-F225 HydrophobicContact CB-CE2 4.07Å; F223-F225 HydrophobicContact CB-CE2 3.98Å; F223-F225 HydrophobicContact CB-CZ 4.03Å; F223-F225 WeakPolarHBondContact O-CE2 3.49Å; F225-C227 VanDerWaalsContact C-N 3.34Å; F225-L230 HydrophobicContact CB-CB 4.27Å; F225-L230 HydrophobicContact CD1-CB 3.84Å; F225-L230 HydrophobicContact CG-CB 4.31Å; F225-L231 HydrophobicContact CD2-CB 4.02Å; F225-L231 HydrophobicContact CD2-CD1 4.11Å; F225-L231 HydrophobicContact CE2-CD1 4.22Å; F225-L231 HydrophobicContact CG-CB 4.4Å; F225-H234 HydrophobicContact CE1-CB 4.08Å; F225-H234 HydrophobicContact CE2-CB 4.08Å; F225-H234 AromaticContact CE2-CD2 3.99Å; F225-H234 AromaticContact CE2-CG 3.98Å; F225-H234 HydrophobicContact CZ-CB 3.57Å; F225-H234 AromaticContact CZ-CD2 3.76Å; F225-H234 AromaticContact CZ-CG 3.38Å; F225-H234 AromaticContact CZ-ND1 3.78Å
226	S	68.6	Low	71.2	Confident	106 Å²	106	82.3 Å²	82.3	74%	0.741	46%	0.462	S	S	*	.	S	Bend	trans	-79.2	-13.8	178.8	50.5	0	0	0	0	113.7
227	C	68.3	Low	71.2	Confident	49 Å²	49	84.8 Å²	84.8	33%	0.331	48%	0.481	S	S	.	.	S	Bend	trans	-150.8	158.3	173.8	70.7	0	0	0	0	112.3	F225 K229 L230	F225-C227 VanDerWaalsContact C-N 3.34Å; C227-K229 PolarHBondContact O-N 3.15Å; C227-L230 PolarHBondContact O-N 3.17Å
228	E	65.4	Low	71	Confident	118 Å²	118	82.4 Å²	82.4	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-62.2	-41.6	-174.9	-158.7	157.3	-150.5	0	0	112.9	F216 L230 L231 D232	F216-E228 HydrophobicContact CD1-CB 3.92Å; F216-E228 HydrophobicContact CD1-CG 3.87Å; F216-E228 HydrophobicContact CE1-CB 3.62Å; F216-E228 VanDerWaalsContact CE1-CD 3.45Å; F216-E228 HydrophobicContact CE1-CG 3.6Å; F216-E228 HydrophobicContact CE2-CB 4.25Å; F216-E228 HydrophobicContact CG-CB 4.35Å; F216-E228 HydrophobicContact CZ-CB 3.8Å; F216-E228 HydrophobicContact CZ-CG 4.25Å; E228-L230 VanDerWaalsContact C-N 3.28Å; E228-L230 PolarHBondContact O-N 2.97Å; E228-L231 WeakPolarHBondContact O-CA 3.46Å; E228-L231 VanDerWaalsContact O-CB 3.31Å; E228-L231 WeakPolarHBondContact O-CB 3.26Å; E228-L231 PolarHBondContact O-N 3.28Å; E228-D232 PolarHBondContact O-N 3.31Å
229	K	69.6	Low	70.2	Confident	172 Å²	172	88.7 Å²	88.7	75%	0.748	51%	0.505	S	S	*	.	H	α-helix	trans	-60	-34.1	-179.2	-63	-176	178	-177.7	0	113.8	C227 D232 E233	C227-K229 PolarHBondContact O-N 3.15Å; K229-D232 PolarHBondContact O-N 3.24Å; K229-E233 PolarHBondContact O-N 3.22Å; K229-E233 VanDerWaalsContact O-N 3.16Å
230	L	71.5	Confident	69.4	Low	81 Å²	81	85.7 Å²	85.7	42%	0.424	49%	0.49	S	S	.	.	H	α-helix	trans	-74.9	-30.2	175.8	-70.4	173.8	0	0	0	111.9	F225 C227 E228 H234	F225-L230 HydrophobicContact CB-CB 4.27Å; F225-L230 HydrophobicContact CD1-CB 3.84Å; F225-L230 HydrophobicContact CG-CB 4.31Å; C227-L230 PolarHBondContact O-N 3.17Å; E228-L230 VanDerWaalsContact C-N 3.28Å; E228-L230 PolarHBondContact O-N 2.97Å; L230-H234 VanDerWaalsContact O-CB 3.22Å; L230-H234 WeakPolarHBondContact O-CB 3.39Å; L230-H234 PolarHBondContact O-N 3.04Å; L230-H234 VanDerWaalsContact O-N 3.08Å
231	L	77.7	Confident	68.8	Low	26 Å²	26	92.9 Å²	92.9	14%	0.136	51%	0.507	C	S	.	.	H	α-helix	trans	-66.1	-44.5	169.7	169.8	62	0	0	0	110.5	F216 C218 F225 E228 H234 V235	F216-L231 HydrophobicContact CB-CB 4.17Å; F216-L231 HydrophobicContact CB-CD2 3.9Å; C218-L231 VanDerWaalsContact CA-CD1 3.44Å; C218-L231 HydrophobicContact CB-CD1 3.41Å; C218-L231 VanDerWaalsContact CB-CD1 3.41Å; F225-L231 HydrophobicContact CD2-CB 4.02Å; F225-L231 HydrophobicContact CD2-CD1 4.11Å; F225-L231 HydrophobicContact CE2-CD1 4.22Å; F225-L231 HydrophobicContact CG-CB 4.4Å; E228-L231 WeakPolarHBondContact O-CA 3.46Å; E228-L231 VanDerWaalsContact O-CB 3.31Å; E228-L231 WeakPolarHBondContact O-CB 3.26Å; E228-L231 PolarHBondContact O-N 3.28Å; L231-H234 CarbonylContact O-C 3.6Å; L231-H234 PolarHBondContact O-N 3.45Å; L231-V235 HydrophobicContact CD1-CG2 3.75Å; L231-V235 HydrophobicContact CG-CG2 4.29Å; L231-V235 WeakPolarHBondContact O-CB 3.2Å; L231-V235 VanDerWaalsContact O-CG2 3.31Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 3.38Å
232	D	70.4	Confident	67.3	Low	90 Å²	90	97.6 Å²	97.6	48%	0.481	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-49	179.5	-66.2	-37.9	0	0	0	112.3	E228 K229 H234 V235 L236	E228-D232 PolarHBondContact O-N 3.31Å; K229-D232 PolarHBondContact O-N 3.24Å; D232-H234 VanDerWaalsContact C-N 3.29Å; D232-H234 PolarHBondContact O-N 3.22Å; D232-V235 PolarHBondContact O-N 3.45Å; D232-L236 WeakPolarHBondContact O-CG 3.47Å; D232-L236 PolarHBondContact O-N 2.69Å; D232-L236 VanDerWaalsContact O-N 3.09Å
233	E	75.9	Confident	65.8	Low	131 Å²	131	102.6 Å²	102.6	61%	0.612	54%	0.536	S	S	*	.	H	α-helix	trans	-63.3	-35.9	176.7	-173.1	171.5	-162.8	0	0	111.9	K229 T237	K229-E233 PolarHBondContact O-N 3.22Å; K229-E233 VanDerWaalsContact O-N 3.16Å; E233-T237 PolarHBondContact O-N 3.2Å; E233-T237 PolarHBondContact O-OG1 2.83Å
234	H	79.4	Confident	64.1	Low	49 Å²	49	106 Å²	106	23%	0.227	55%	0.546	C	S	.	.	H	α-helix	trans	-67.4	-42.7	172.8	-173.4	77.5	0	0	0	112.6	C221 F225 L230 L231 D232 L236 T237 C238	C221-H234 PolarHBondContact SG-NE2 2.96Å; F225-H234 HydrophobicContact CE1-CB 4.08Å; F225-H234 HydrophobicContact CE2-CB 4.08Å; F225-H234 AromaticContact CE2-CD2 3.99Å; F225-H234 AromaticContact CE2-CG 3.98Å; F225-H234 HydrophobicContact CZ-CB 3.57Å; F225-H234 AromaticContact CZ-CD2 3.76Å; F225-H234 AromaticContact CZ-CG 3.38Å; F225-H234 AromaticContact CZ-ND1 3.78Å; L230-H234 VanDerWaalsContact O-CB 3.22Å; L230-H234 WeakPolarHBondContact O-CB 3.39Å; L230-H234 PolarHBondContact O-N 3.04Å; L230-H234 VanDerWaalsContact O-N 3.08Å; L231-H234 CarbonylContact O-C 3.6Å; L231-H234 PolarHBondContact O-N 3.45Å; D232-H234 VanDerWaalsContact C-N 3.29Å; D232-H234 PolarHBondContact O-N 3.22Å; H234-L236 VanDerWaalsContact C-N 3.25Å; H234-L236 PolarHBondContact O-N 3.2Å; H234-T237 WeakPolarHBondContact CA-OG1 3.39Å; H234-T237 CarbonylContact O-C 3.54Å; H234-T237 PolarHBondContact O-N 2.76Å; H234-T237 PolarHBondContact O-OG1 3.36Å; H234-C238 WeakPolarHBondContact O-CB 3.47Å; H234-C238 PolarHBondContact O-N 3.44Å
235	V	74.7	Confident	62.5	Low	82 Å²	82	111.4 Å²	111.4	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-61.8	-34.4	178	165.2	0	0	0	0	111.5	L231 D232 T237	L231-V235 HydrophobicContact CD1-CG2 3.75Å; L231-V235 HydrophobicContact CG-CG2 4.29Å; L231-V235 WeakPolarHBondContact O-CB 3.2Å; L231-V235 VanDerWaalsContact O-CG2 3.31Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 3.38Å; D232-V235 PolarHBondContact O-N 3.45Å; V235-T237 VanDerWaalsContact C-N 3.3Å; V235-T237 PolarHBondContact O-N 2.76Å
236	L	71.8	Confident	60.1	Low	152 Å²	152	117 Å²	117	80%	0.796	59%	0.59	S	S	*	*	H	α-helix	trans	-72.7	-18.5	175.1	-67.9	171.4	0	0	0	114.1	D232 H234	D232-L236 WeakPolarHBondContact O-CG 3.47Å; D232-L236 PolarHBondContact O-N 2.69Å; D232-L236 VanDerWaalsContact O-N 3.09Å; H234-L236 VanDerWaalsContact C-N 3.25Å; H234-L236 PolarHBondContact O-N 3.2Å
237	T	63.2	Low	58.3	Low	98 Å²	98	118.7 Å²	118.7	60%	0.601	60%	0.596	S	S	*	*	H	α-helix	trans	-114.7	-12.2	-176.6	53.1	0	0	0	0	114.3	E233 H234 V235 T239	E233-T237 PolarHBondContact O-N 3.2Å; E233-T237 PolarHBondContact O-OG1 2.83Å; H234-T237 WeakPolarHBondContact CA-OG1 3.39Å; H234-T237 CarbonylContact O-C 3.54Å; H234-T237 PolarHBondContact O-N 2.76Å; H234-T237 PolarHBondContact O-OG1 3.36Å; V235-T237 VanDerWaalsContact C-N 3.3Å; V235-T237 PolarHBondContact O-N 2.76Å; T237-T239 PolarHBondContact O-N 3.14Å
238	C	67.4	Low	56.6	Low	26 Å²	26	127.9 Å²	127.9	18%	0.176	62%	0.624	C	S	.	*			trans	-70.3	119.4	-176.4	-174.3	0	0	0	0	112.2	H234	H234-C238 WeakPolarHBondContact O-CB 3.47Å; H234-C238 PolarHBondContact O-N 3.44Å
239	T	58.2	Low	54.7	Low	133 Å²	133	127 Å²	127	82%	0.816	63%	0.63	S	S	*	*			trans	-83.3	-9	-177.9	49.8	0	0	0	0	114.2	T237 R241	T237-T239 PolarHBondContact O-N 3.14Å; T239-R241 PolarHBondContact O-N 2.81Å
240	N	52.4	Low	52.7	Low	98 Å²	98	129.8 Å²	129.8	52%	0.524	64%	0.638	S	S	.	*			trans	-77.9	45	-179.7	-75.9	-12.1	0	0	0	113.4	S220 H242	S220-N240 VanDerWaalsContact O-CB 3.23Å; S220-N240 WeakPolarHBondContact O-CB 3.41Å; N240-H242 PolarHBondContact O-N 2.85Å
241	R	52	Low	50.7	Low	211 Å²	211	134.5 Å²	134.5	80%	0.796	66%	0.657	S	S	*	*			trans	-69.5	-5.5	-171.1	-168.7	161.5	-179.1	163	3.5	115.3	T239	T239-R241 PolarHBondContact O-N 2.81Å
242	H	45.7	Very low	48.3	Very low	146 Å²	146	144.1 Å²	144.1	68%	0.676	69%	0.692	S	S	*	*			trans	-141.9	92.8	178.3	-78.7	-88.3	0	0	0	113	N240	N240-H242 PolarHBondContact O-N 2.85Å
243	L	38.2	Very low	46.4	Very low	165 Å²	165	147.3 Å²	147.3	86%	0.864	71%	0.707	S	S	*	*	S	Bend	trans	-149.2	14.6	148.6	-140.9	91.2	0	0	0	116.4
244	Y	32.1	Very low	44.3	Very low	211 Å²	211	146.8 Å²	146.8	83%	0.827	71%	0.713	S	S	*	*			trans	-139	104.9	164.6	-104.6	-80	0	0	0	111.8
245	Q	32.3	Very low	41.9	Very low	162 Å²	162	151.2 Å²	151.2	76%	0.757	74%	0.738	S	S	*	*			trans	-112.8	150.8	154.7	-74.8	-172.9	-13.3	0	0	107.9
246	N	27.9	Very low	39.8	Very low	150 Å²	150	154.2 Å²	154.2	80%	0.802	75%	0.75	S	S	*	*			trans	60.9	85.1	-173.9	-78.6	-18.9	0	0	0	116.4
247	T	29.9	Very low	37.9	Very low	142 Å²	142	157.4 Å²	157.4	87%	0.871	75%	0.751	S	S	*	*				-135.6	164	96	36.8	0	0	0	0	109.5
248	R	32	Very low	36.3	Very low	242 Å²	242	159.9 Å²	159.9	91%	0.913	76%	0.761	S	S	*	*			trans	-120	154.9	-162.5	-160.5	-179.9	-169.5	178.4	4	111.2
249	S	27.3	Very low	34.5	Very low	99 Å²	99	162.3 Å²	162.3	69%	0.692	79%	0.79	S	S	*	*			trans	77.4	103.7	162	-175.2	0	0	0	0	118.6
250	Y	26.8	Very low	33.4	Very low	232 Å²	232	165 Å²	165	91%	0.91	79%	0.79	S	S	*	*			trans	-151.9	71.3	132.7	-110.3	-69.8	0	0	0	111.7
251	H	29.3	Very low	32.4	Very low	179 Å²	179	166.4 Å²	166.4	83%	0.829	80%	0.798	S	S	*	*			trans	-156.5	78	165.9	-155.6	-70.7	0	0	0	114
252	R	27.7	Very low	31.6	Very low	229 Å²	229	161.4 Å²	161.4	86%	0.864	80%	0.796	S	S	*	*			trans	-156.9	81	158.3	-168.2	-179.1	-79.1	-160.5	-5.3	113.3
253	I	30.6	Very low	30.8	Very low	156 Å²	156	162.2 Å²	162.2	80%	0.8	81%	0.805	S	S	*	*			trans	-146.5	123.8	152.5	-59	179.8	0	0	0	102.4
254	V	30.5	Very low	30.5	Very low	120 Å²	120	161.3 Å²	161.3	73%	0.727	80%	0.799	S	S	*	*	S	Bend	cis	-111.2	158.9	6	-157	0	0	0	0	106.3
255	D	29.5	Very low	30.4	Very low	143 Å²	143	160.8 Å²	160.8	77%	0.765	80%	0.802	S	S	*	*			cis	-157.6	175	47.2	-140.5	-39.2	0	0	0	113.3
256	I	31.8	Very low	30.1	Very low	144 Å²	144	156.9 Å²	156.9	74%	0.738	80%	0.797	S	S	*	*			trans	-120	131	-168.6	-63.9	169	0	0	0	111.9
257	R	30.2	Very low	30.1	Very low	220 Å²	220	158.5 Å²	158.5	83%	0.83	80%	0.799	S	S	*	*			trans	-165	150.7	134.3	-110.7	163.7	-133.7	-142.8	-0	115.1
258	D	30.6	Very low	29.8	Very low	150 Å²	150	161.1 Å²	161.1	80%	0.802	80%	0.799	S	S	*	*			trans	53.2	106	157	-49.5	-30.2	0	0	0	117.9
259	G	29.6	Very low	29.6	Very low	77 Å²	77	153.4 Å²	153.4	79%	0.794	78%	0.783	S	S	*	*			trans	-113.1	-179.2	178.5	0	0	0	0	0	113.6
260	K	35.3	Very low	29.6	Very low	188 Å²	188	156.7 Å²	156.7	82%	0.817	79%	0.787	S	S	*	*			trans	-153.8	123.2	161.7	-116.3	-179.2	174.9	177.6	0	112.6
261	D	31.9	Very low	29.8	Very low	128 Å²	128	154.4 Å²	154.4	68%	0.684	78%	0.782	S	S	*	*			trans	45.3	104	139.1	-51	-20.9	0	0	0	120.3
262	S	34	Very low	29.5	Very low	107 Å²	107	151.8 Å²	151.8	75%	0.748	77%	0.774	S	S	*	*			trans	38.1	127	131.4	52.8	0	0	0	0	121.7
263	N	30.2	Very low	29.5	Very low	162 Å²	162	145.8 Å²	145.8	87%	0.866	77%	0.767	S	S	*	*				-158.1	169	91.8	-138.4	-30.5	0	0	0	113.3
264	I	31	Very low	29.5	Very low	146 Å²	146	143.1 Å²	143.1	75%	0.749	76%	0.762	S	S	*	*			trans	-125.8	120.5	-170.9	-59.5	171.7	0	0	0	112.1
265	K	29.6	Very low	29.5	Very low	201 Å²	201	147.2 Å²	147.2	87%	0.874	77%	0.77	S	S	*	*			trans	172.9	131.1	141.4	-98.5	174	177.4	-169.9	0	108
266	A	27.3	Very low	29.2	Very low	79 Å²	79	147.1 Å²	147.1	65%	0.653	78%	0.775	S	S	*	*			cis	87.1	136.7	25.5	0	0	0	0	0	115.2
267	E	26.1	Very low	28.8	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	78%	0.782	S	S	*	*			trans	76.8	118.7	178.2	-65.9	172.1	-158.3	0	0	115.5
268	F	25.6	Very low	28.7	Very low	197 Å²	197	143.9 Å²	143.9	86%	0.864	77%	0.774	S	S	*	*				77.1	134.7	76.9	-111.8	-124.7	0	0	0	111.9
269	S	26.1	Very low	28.4	Very low	81 Å²	81	143 Å²	143	57%	0.566	77%	0.774	S	S	*	*			cis	-163.8	-171	-3	-154.9	0	0	0	0	110.7
270	E	28.8	Very low	28.4	Very low	168 Å²	168	147 Å²	147	79%	0.785	77%	0.772	S	S	*	*			trans	69.3	135	163.8	-68.3	169.9	176	0	0	115.5
271	K	29.2	Very low	27.9	Very low	183 Å²	183	144.8 Å²	144.8	80%	0.796	77%	0.774	S	S	*	*				68.3	137.9	55.2	-72.1	-173.5	166	-160.6	0	112.8
272	D	24.7	Very low	27.7	Very low	124 Å²	124	144.2 Å²	144.2	66%	0.663	77%	0.771	S	S	*	*			cis	-152.8	175.9	8.9	-136.6	-47.4	0	0	0	111.6
273	S	28	Very low	27.5	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	77%	0.766	S	S	*	*			trans	68.8	167.7	163	88.9	0	0	0	0	117.6
274	S	29.5	Very low	27.3	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	76%	0.76	S	S	*	*			cis	-168.5	139.1	-34	-99.2	0	0	0	0	109.6
275	K	29.6	Very low	27.3	Very low	205 Å²	205	149.5 Å²	149.5	89%	0.891	76%	0.758	S	S	*	*			trans	40.6	117.2	159.1	-62.1	179.9	179.8	178.8	0	118.8
276	T	24	Very low	27.2	Very low	141 Å²	141	142.9 Å²	142.9	87%	0.865	75%	0.747	S	S	*	*			trans	-120.3	146.8	150.2	50.1	0	0	0	0	110.7
277	F	24.3	Very low	27.3	Very low	201 Å²	201	145 Å²	145	88%	0.882	75%	0.748	S	S	*	*			trans	-149	149.4	172.4	-137.9	-82.8	0	0	0	108.6
278	S	27	Very low	27.6	Very low	96 Å²	96	142 Å²	142	67%	0.671	74%	0.742	S	S	*	*			trans	59.2	115	161.7	50.1	0	0	0	0	121.6
279	V	25.1	Very low	27.9	Very low	132 Å²	132	137.6 Å²	137.6	80%	0.8	74%	0.736	S	S	*	*				94.6	147.8	123.1	173.4	0	0	0	0	119.8
280	Q	28.7	Very low	28.3	Very low	161 Å²	161	142.3 Å²	142.3	75%	0.752	75%	0.749	S	S	*	*			trans	-81.5	163.3	-162.9	-51.2	125.7	-73.8	0	0	115
281	T	25	Very low	28.4	Very low	140 Å²	140	138.8 Å²	138.8	86%	0.859	75%	0.749	S	S	*	*			trans	152	156.4	130.1	43.1	0	0	0	0	110.9
282	D	27.1	Very low	28.6	Very low	117 Å²	117	133.7 Å²	133.7	63%	0.626	74%	0.741	S	S	*	*			cis	-163.9	152.1	-36.6	-166.3	19.1	0	0	0	110.2
283	K	31.5	Very low	28.9	Very low	147 Å²	147	135.1 Å²	135.1	64%	0.639	75%	0.748	S	S	*	*			trans	56.4	132.7	161.9	-74.3	177.2	-173.7	79.1	0	124.1
284	Y	26.3	Very low	28.9	Very low	191 Å²	191	137 Å²	137	75%	0.749	75%	0.75	S	S	*	*			trans	79.8	147.7	130.9	-84.3	-136.1	0	0	0	120.3
285	R	30.6	Very low	29.2	Very low	187 Å²	187	136.1 Å²	136.1	71%	0.706	74%	0.744	S	S	*	*			cis	-162.5	147	-10.7	-159.2	-170.2	-155.1	-102.7	9.9	112.5	D287	R285-D287 IonicContact NH1-OD2 3.85Å; R285-D287 PolarHBondContact NH1-OD2 3.08Å
286	G	27.8	Very low	29.4	Very low	62 Å²	62	132.9 Å²	132.9	64%	0.639	74%	0.742	S	S	*	*			trans	76.4	170.8	141.1	0	0	0	0	0	119.8
287	D	28.4	Very low	29.7	Very low	124 Å²	124	130.4 Å²	130.4	66%	0.663	73%	0.73	S	S	*	*			cis	-166.3	166.2	-21.4	-79.6	-46	0	0	0	103.9	R285	R285-D287 IonicContact NH1-OD2 3.85Å; R285-D287 PolarHBondContact NH1-OD2 3.08Å
288	T	31.6	Very low	30.1	Very low	122 Å²	122	126.9 Å²	126.9	75%	0.748	73%	0.725	S	S	*	*			cis	-167.2	166.4	19.7	-22.4	0	0	0	0	110.5
289	S	33.2	Very low	30.2	Very low	103 Å²	103	129 Å²	129	72%	0.72	74%	0.735	S	S	*	*			trans	68.6	159.6	146.6	66.2	0	0	0	0	123.5
290	Q	34.2	Very low	30.5	Very low	180 Å²	180	126 Å²	126	84%	0.841	73%	0.73	S	S	*	*			cis	178.1	142.7	-29	-176.4	164.4	1	0	0	112.3
291	A	30.4	Very low	30.7	Very low	95 Å²	95	123.9 Å²	123.9	79%	0.785	73%	0.733	S	S	*	*			trans	61	162.8	156.8	0	0	0	0	0	121.1
292	A	33	Very low	31.1	Very low	76 Å²	76	128.3 Å²	128.3	63%	0.628	73%	0.734	S	S	*	*			cis	-170.4	160.9	-27.6	0	0	0	0	0	112.3
293	D	31.2	Very low	31.5	Very low	154 Å²	154	132.3 Å²	132.3	82%	0.824	75%	0.745	S	S	*	*			trans	55.2	167.8	155.1	-40.7	-31.7	0	0	0	120.9
294	D	28.6	Very low	31.4	Very low	142 Å²	142	131.3 Å²	131.3	76%	0.759	76%	0.757	S	S	*	*			cis	-154.5	155.2	2.9	-156.2	6.6	0	0	0	116.2
295	S	36.4	Very low	31.6	Very low	83 Å²	83	127.9 Å²	127.9	58%	0.58	76%	0.761	S	S	*	*			trans	16.9	146.4	151.8	-66.8	0	0	0	0	129.7
296	T	32.3	Very low	31.5	Very low	136 Å²	136	122.7 Å²	122.7	83%	0.834	76%	0.758	S	S	*	*			trans	72.4	155.7	138.8	51.9	0	0	0	0	122.8
297	S	31.8	Very low	31.5	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	76%	0.761	S	S	*	*			cis	-172.1	161.5	-17.3	53.1	0	0	0	0	114.7
298	T	31.6	Very low	31.7	Very low	126 Å²	126	126.9 Å²	126.9	77%	0.773	77%	0.765	S	S	*	*			trans	63.6	148.6	158.5	42.6	0	0	0	0	119.2
299	T	30.4	Very low	31.7	Very low	142 Å²	142	126.1 Å²	126.1	87%	0.871	76%	0.764	S	S	*	*			cis	-162.8	178.3	6.4	3.9	0	0	0	0	108.7
300	G	29.8	Very low	31.8	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	77%	0.766	S	S	*	*			cis	149.7	150	-6.5	0	0	0	0	0	115.5
301	S	34.2	Very low	31.8	Very low	116 Å²	116	127.1 Å²	127.1	81%	0.811	76%	0.761	S	S	*	*			trans	98.2	137.1	156.7	-136.1	0	0	0	0	123.9
302	R	32.7	Very low	31.8	Very low	234 Å²	234	126 Å²	126	88%	0.883	75%	0.751	S	S	*	*			trans	79.1	156	157.2	-57.5	178.1	-174.8	-171.3	0.6	122
303	K	35	Very low	31.7	Very low	200 Å²	200	127.6 Å²	127.6	87%	0.87	76%	0.758	S	S	*	*			cis	178.7	125.9	-34.7	-164.8	-178.3	-170.8	-172.1	0	111.8
304	S	30.3	Very low	31.7	Very low	126 Å²	126	129.3 Å²	129.3	88%	0.881	76%	0.761	S	S	*	*			trans	-174.3	169	158.1	51.5	0	0	0	0	114.3
305	S	29.6	Very low	32	Very low	120 Å²	120	129.9 Å²	129.9	84%	0.839	76%	0.76	S	S	*	*			trans	-133.6	-178	177.9	54.8	0	0	0	0	109.3
306	A	28.3	Very low	31.8	Very low	78 Å²	78	133.7 Å²	133.7	65%	0.645	77%	0.766	S	S	*	*			cis	-148.8	175.1	19.5	0	0	0	0	0	109.1
307	V	29.5	Very low	32.1	Very low	116 Å²	116	131.7 Å²	131.7	70%	0.703	76%	0.757	S	S	*	*			cis	70.4	132.4	29.2	-178.5	0	0	0	0	112.2
308	E	32.3	Very low	32.1	Very low	157 Å²	157	139 Å²	139	73%	0.734	77%	0.771	S	S	*	*			cis	-72.5	-161.6	1.8	-118.1	58.3	-116.7	0	0	114.2
309	S	30.8	Very low	32.1	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	77%	0.773	S	S	*	*			cis	-141.1	174.3	23.2	-57.4	0	0	0	0	110.3
310	E	36.1	Very low	32.1	Very low	161 Å²	161	136.3 Å²	136.3	75%	0.752	78%	0.775	S	S	*	*			cis	65.5	136.1	35.9	-67.4	-140	121.1	0	0	114.9
311	I	32.5	Very low	32.4	Very low	143 Å²	143	139.4 Å²	139.4	73%	0.733	77%	0.772	S	S	*	*			cis	-158.8	162.4	-2.5	-128.3	-172.6	0	0	0	107.7
312	A	30.6	Very low	32.3	Very low	71 Å²	71	145.6 Å²	145.6	59%	0.587	78%	0.777	S	S	*	*			cis	-158	177.8	-3.5	0	0	0	0	0	110.7
313	S	32	Very low	32.3	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	77%	0.771	S	S	*	*			trans	35.4	128.4	148.4	63	0	0	0	0	121.7
314	E	31.4	Very low	31.9	Very low	190 Å²	190	144.4 Å²	144.4	89%	0.888	77%	0.772	S	S	*	*			cis	-137.9	-163.5	13.6	-65.7	-165.5	118.2	0	0	113.8
315	E	33.5	Very low	31.8	Very low	155 Å²	155	145.8 Å²	145.8	72%	0.724	77%	0.768	S	S	*	*			trans	-70.8	177	-170	-48.4	-177.6	85.6	0	0	115.3
316	K	33.7	Very low	31.6	Very low	163 Å²	163	147.5 Å²	147.5	71%	0.709	77%	0.766	S	S	*	*			cis	-162	169.9	28.6	-144.1	160.5	-173.5	78	0	113.7
317	S	37.9	Very low	31.8	Very low	93 Å²	93	151 Å²	151	65%	0.65	77%	0.773	S	S	*	*			trans	-59.5	168.2	-174.6	70.9	0	0	0	0	116.1
318	R	32.9	Very low	31.4	Very low	244 Å²	244	154.1 Å²	154.1	92%	0.921	78%	0.776	S	S	*	*			cis	-167.6	171.2	43.6	-139.5	165	-163.1	160.9	4	112
319	A	29.8	Very low	31.2	Very low	99 Å²	99	154.2 Å²	154.2	82%	0.818	78%	0.779	S	S	*	*			trans	-140.5	158.7	-172.5	0	0	0	0	0	114.9
320	A	31.8	Very low	31.1	Very low	112 Å²	112	155.2 Å²	155.2	93%	0.926	77%	0.772	S	S	*	*			trans	-170.4	141.8	148.3	0	0	0	0	0	113
321	E	35.6	Very low	31.8	Very low	133 Å²	133	152.6 Å²	152.6	62%	0.621	77%	0.769	S	S	*	*			trans	-135.7	149.1	178.2	154.5	85.2	-143	0	0	108	K323	E321-K323 WeakPolarHBondContact OE1-CG 3.2Å; E321-K323 IonicContact OE1-NZ 3.87Å; E321-K323 PolarHBondContact OE1-NZ 3.47Å; E321-K323 IonicContact OE2-NZ 3.36Å
322	R	32.3	Very low	31.7	Very low	246 Å²	246	154.3 Å²	154.3	93%	0.928	77%	0.774	S	S	*	*			trans	-165.5	145.3	158.3	-106.4	147.5	-153.8	-144.4	3.1	113.8
323	K	33	Very low	31.5	Very low	173 Å²	173	157.9 Å²	157.9	75%	0.752	78%	0.783	S	S	*	*			trans	-117.2	168.2	180	-64.9	-179.4	170.5	73.9	0	111.4	E321	E321-K323 WeakPolarHBondContact OE1-CG 3.2Å; E321-K323 IonicContact OE1-NZ 3.87Å; E321-K323 PolarHBondContact OE1-NZ 3.47Å; E321-K323 IonicContact OE2-NZ 3.36Å
324	R	26.5	Very low	31.5	Very low	237 Å²	237	160.3 Å²	160.3	89%	0.894	79%	0.786	S	S	*	*			trans	-81.2	161.7	176.6	-46.3	175.8	-162.4	158.4	4.4	112.3
325	I	27.8	Very low	32.4	Very low	155 Å²	155	156.3 Å²	156.3	80%	0.795	78%	0.776	S	S	*	*			trans	-173.9	112.7	143.7	-100.5	153.3	0	0	0	108.6
326	I	25.6	Very low	32.3	Very low	156 Å²	156	155.6 Å²	155.6	80%	0.8	78%	0.783	S	S	*	*				80.4	143.8	106.5	-60.6	174.5	0	0	0	115.6
327	I	31.8	Very low	32.2	Very low	152 Å²	152	154.3 Å²	154.3	78%	0.779	78%	0.784	S	S	*	*			trans	-121.2	150.7	-174.9	-60.8	165.7	0	0	0	110.1
328	K	22.3	Very low	32	Very low	180 Å²	180	158.8 Å²	158.8	78%	0.783	79%	0.794	S	S	*	*			trans	-157.6	164.4	149	-114.3	-172.4	175.1	-151.6	0	112.3
329	M	28	Very low	32.4	Very low	159 Å²	159	154 Å²	154	78%	0.783	79%	0.786	S	S	*	*			trans	-102.7	-150.4	179.4	-56.5	149.4	49.6	0	0	108.2
330	E	28.3	Very low	32.5	Very low	127 Å²	127	158.2 Å²	158.2	59%	0.593	79%	0.786	S	S	*	*			cis	-125.8	-116.7	33.2	-77.8	78.8	-108	0	0	114.3
331	P	50.3	Low	32.6	Very low	107 Å²	107	159.5 Å²	159.5	70%	0.695	78%	0.777	S	S	*	*			trans	-141.1	-173.8	-135.3	45.5	-25.1	0	0	0	121.2
332	E	29.9	Very low	32.2	Very low	178 Å²	178	161.9 Å²	161.9	83%	0.832	79%	0.786	S	S	*	*			trans	80.7	152	160.4	-68.8	162.2	-165.9	0	0	118.8
333	D	28	Very low	31.8	Very low	147 Å²	147	156.7 Å²	156.7	79%	0.786	78%	0.777	S	S	*	*			cis	-150.9	167.6	17.4	-151.1	-16	0	0	0	113.2
334	I	31.5	Very low	31.4	Very low	161 Å²	161	156 Å²	156	83%	0.826	78%	0.779	S	S	*	*			trans	-145.8	122.3	-164.9	-50.6	177.7	0	0	0	116.8
335	P	50.6	Low	31.4	Very low	105 Å²	105	152.7 Å²	152.7	68%	0.682	78%	0.778	S	S	*	*			trans	-141	149.9	174.7	39	-21.7	0	0	0	120.4
336	T	30	Very low	31.6	Very low	140 Å²	140	154.4 Å²	154.4	86%	0.859	78%	0.78	S	S	*	*			trans	65.2	165.6	152.3	58.6	0	0	0	0	123.7
337	D	31.9	Very low	31.7	Very low	137 Å²	137	152.6 Å²	152.6	73%	0.733	78%	0.776	S	S	*	*				-174.3	157.7	-56	-150.7	-15.2	0	0	0	110.4
338	E	33.3	Very low	31.5	Very low	187 Å²	187	150.6 Å²	150.6	87%	0.874	77%	0.77	S	S	*	*			trans	160.5	156.1	139.9	-90.4	-159.5	175.7	0	0	114.5
339	L	41.8	Very low	31.9	Very low	143 Å²	143	148.2 Å²	148.2	75%	0.749	77%	0.766	S	S	*	*			trans	-140.4	143.1	-162.5	-73.8	152.9	0	0	0	113
340	K	33.2	Very low	32.3	Very low	187 Å²	187	148.1 Å²	148.1	81%	0.813	76%	0.761	S	S	*	*			trans	160.3	153.6	150.4	-88.3	148.4	-155.9	153.7	0	110
341	D	32.2	Very low	32.6	Very low	140 Å²	140	147.7 Å²	147.7	75%	0.749	76%	0.763	S	S	*	*			cis	-141.9	171.1	7.4	-113.4	-41.5	0	0	0	112.5
342	F	27.8	Very low	31.5	Very low	182 Å²	182	148 Å²	148	80%	0.798	77%	0.767	S	S	*	*			trans	-104.5	166.1	-177.6	-54.4	-97.3	0	0	0	111.7
343	N	23.8	Very low	31.7	Very low	138 Å²	138	146 Å²	146	74%	0.738	76%	0.762	S	S	*	*			cis	-160	-175.3	-5.1	-138.1	-34.2	0	0	0	111.3
344	I	25.4	Very low	32.3	Very low	157 Å²	157	146.8 Å²	146.8	81%	0.805	76%	0.761	S	S	*	*			trans	98.3	84.2	168.9	-51.2	170.5	0	0	0	114.3
345	I	25	Very low	32.5	Very low	169 Å²	169	144.1 Å²	144.1	87%	0.867	76%	0.756	S	S	*	*			trans	-119.5	146.4	158	-62.2	176.1	0	0	0	107.2
346	K	32.5	Very low	32.3	Very low	191 Å²	191	144.2 Å²	144.2	83%	0.83	76%	0.755	S	S	*	*			trans	-87.6	122.6	-176.3	-80.3	-179.1	173.8	176.5	0	112.9
347	V	28.4	Very low	32.3	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.715	75%	0.751	S	S	*	*			trans	54.7	85	136.4	-172.8	0	0	0	0	115.3
348	T	27.7	Very low	32.3	Very low	109 Å²	109	143.8 Å²	143.8	67%	0.669	75%	0.748	S	S	*	*				57.1	122.2	96.1	61.5	0	0	0	0	114.4
349	D	30.5	Very low	32.4	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	74%	0.743	S	S	*	*			cis	-142	126.2	10.6	-81.5	-42.2	0	0	0	110.2
350	K	36.8	Very low	32.2	Very low	156 Å²	156	143.2 Å²	143.2	68%	0.678	75%	0.746	S	S	*	*				75.5	129.8	80.1	-72.9	-168.6	134.2	-64.1	0	113.7
351	D	33.2	Very low	32.5	Very low	118 Å²	118	140.3 Å²	140.3	63%	0.631	74%	0.739	S	S	*	*			cis	-155.1	159.7	-2.9	-77.4	-46.5	0	0	0	106.9
352	C	28.3	Very low	32.7	Very low	113 Å²	113	141.4 Å²	141.4	76%	0.764	74%	0.739	S	S	*	*			cis	-164.6	176.5	-19.6	-102	0	0	0	0	108.4
353	N	33	Very low	32.8	Very low	136 Å²	136	140 Å²	140	73%	0.727	74%	0.74	S	S	*	*			trans	-133.9	157.9	-169	-118.6	33.4	0	0	0	114
354	E	40.8	Very low	33.4	Very low	165 Å²	165	141.2 Å²	141.2	77%	0.771	74%	0.741	S	S	*	*			trans	56.8	-176.5	147.7	-70.1	166	137.9	0	0	117.9
355	S	36.9	Very low	34.4	Very low	104 Å²	104	139 Å²	139	73%	0.727	74%	0.737	S	S	*	*			cis	-129.9	173.3	0.4	68.4	0	0	0	0	110.5
356	T	45.9	Very low	34.5	Very low	108 Å²	108	139.8 Å²	139.8	66%	0.663	74%	0.737	S	S	*	*			cis	95.9	118.9	10.8	-43.7	0	0	0	0	116.5
357	D	30.8	Very low	34.5	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	73%	0.733	S	S	*	*			trans	-127.8	130.6	164.6	-75.7	-55.4	0	0	0	106.3
358	N	31.1	Very low	35.1	Very low	123 Å²	123	136.7 Å²	136.7	66%	0.658	73%	0.725	S	S	*	*				77.7	125.1	61.1	-63.9	-18.8	0	0	0	112.7
359	D	36.2	Very low	34.9	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	73%	0.729	S	S	*	*			cis	-126.3	-140.8	0.7	-66.8	-65.4	0	0	0	110.6
360	E	36.3	Very low	34.6	Very low	171 Å²	171	141.2 Å²	141.2	80%	0.799	73%	0.726	S	S	*	*			cis	-160.3	140.5	7.9	-155.7	179.3	174	0	0	112.7
361	L	39.8	Very low	34	Very low	127 Å²	127	143.2 Å²	143.2	67%	0.665	73%	0.73	S	S	*	*			trans	30	129.4	158.6	-61.2	170.6	0	0	0	125.9
362	E	36.9	Very low	33.5	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	73%	0.734	S	S	*	*			trans	59	141.5	134	-63.8	168.8	174.2	0	0	120.4
363	D	30.4	Very low	33.4	Very low	154 Å²	154	149.6 Å²	149.6	82%	0.824	73%	0.731	S	S	*	*			cis	-141.6	161	17.2	-100.1	-41.5	0	0	0	113.1
364	E	34.6	Very low	33.2	Very low	162 Å²	162	148.4 Å²	148.4	76%	0.757	73%	0.729	S	S	*	*			trans	-102.2	156	165.1	-88.2	-81.4	137.4	0	0	109.6
365	P	46.4	Very low	32.6	Very low	111 Å²	111	149.3 Å²	149.3	72%	0.721	73%	0.733	S	S	*	*			cis	-141.3	-164.6	47.5	36.7	-11.7	0	0	0	113.4
366	E	28.5	Very low	32.4	Very low	185 Å²	185	153.2 Å²	153.2	86%	0.864	74%	0.74	S	S	*	*			cis	-137.8	162.3	18.1	-65.3	-175.6	99.4	0	0	115.3
367	E	32.1	Very low	31.5	Very low	159 Å²	159	155.9 Å²	155.9	74%	0.743	75%	0.75	S	S	*	*			trans	-103.8	-168.4	177.9	-126.8	-154.8	158.9	0	0	110.2
368	P	40.3	Very low	31.5	Very low	85 Å²	85	154.3 Å²	154.3	55%	0.552	75%	0.745	S	S	*	*			cis	-143.2	-174.3	-11.2	26.8	-0.3	0	0	0	117.9
369	F	23.5	Very low	31.2	Very low	173 Å²	173	154.2 Å²	154.2	76%	0.759	75%	0.754	S	S	*	*			trans	81.1	123.4	164.7	-70.5	-94.2	0	0	0	119.8
370	Y	24.2	Very low	31	Very low	163 Å²	163	154 Å²	154	64%	0.639	75%	0.752	S	S	*	*			cis	81	147.3	43.8	-79	-63	0	0	0	114.1
371	R	23.9	Very low	30.6	Very low	198 Å²	198	154.6 Å²	154.6	75%	0.747	75%	0.752	S	S	*	*			cis	-157	143.3	5.1	-150.6	144.8	178.7	176.3	1.5	113.4
372	Y	23.2	Very low	30	Very low	183 Å²	183	157.6 Å²	157.6	72%	0.718	76%	0.759	S	S	*	*			trans	22.9	136.1	145.7	-87.5	-120.8	0	0	0	125.7
373	Y	26	Very low	29.4	Very low	182 Å²	182	155.9 Å²	155.9	71%	0.714	77%	0.766	S	S	*	*				61.5	127.9	128.5	-78.4	-114.4	0	0	0	121.1
374	V	28.9	Very low	29.1	Very low	111 Å²	111	151.6 Å²	151.6	67%	0.673	76%	0.758	S	S	*	*				72.8	135.7	85.8	172.6	0	0	0	0	112
375	E	28.5	Very low	28.8	Very low	184 Å²	184	155.4 Å²	155.4	86%	0.86	77%	0.765	S	S	*	*			cis	-150.7	-166.6	41.1	-148.8	139.7	-121.1	0	0	115
376	E	33.2	Very low	27.9	Very low	186 Å²	186	160 Å²	160	87%	0.869	77%	0.774	S	S	*	*			trans	-90.7	166.9	-179.8	-51.9	-179.8	118.2	0	0	114.2
377	D	27.9	Very low	27.9	Very low	163 Å²	163	156.9 Å²	156.9	87%	0.872	77%	0.768	S	S	*	*			trans	-167.1	175.9	133.5	-137.4	-27.7	0	0	0	115.8
378	V	30.8	Very low	27.6	Very low	112 Å²	112	157.6 Å²	157.6	68%	0.679	78%	0.776	S	S	*	*			trans	-109.8	155.8	-158.2	174	0	0	0	0	115.1
379	S	24.3	Very low	27.2	Very low	122 Å²	122	162.6 Å²	162.6	85%	0.853	79%	0.789	S	S	*	*			trans	-158.6	158.8	151.9	-100.2	0	0	0	0	117.4
380	I	30.5	Very low	27.4	Very low	142 Å²	142	160.2 Å²	160.2	73%	0.728	79%	0.79	S	S	*	*			trans	-129.1	147.5	-164.4	-61.3	161	0	0	0	111.1
381	K	28.2	Very low	27.3	Very low	182 Å²	182	163.9 Å²	163.9	79%	0.791	80%	0.803	S	S	*	*			trans	-177.1	132.1	142.4	-97.9	139.3	-158.3	160.6	0	118.3
382	K	27.7	Very low	27.6	Very low	190 Å²	190	163.3 Å²	163.3	83%	0.826	81%	0.811	S	S	*	*			trans	74.1	126	136.8	-70.4	177	176.1	-175.9	0	124.3
383	S	24.3	Very low	27.6	Very low	127 Å²	127	159.9 Å²	159.9	89%	0.888	81%	0.814	S	S	*	*			trans	70.3	147.4	135.3	-158.1	0	0	0	0	120
384	G	25	Very low	27.6	Very low	64 Å²	64	158 Å²	158	66%	0.66	82%	0.822	S	S	*	*			cis	159.3	112.6	-12.1	0	0	0	0	0	115.8
385	R	27.2	Very low	27.5	Very low	242 Å²	242	158.1 Å²	158.1	91%	0.913	83%	0.827	S	S	*	*			trans	35	114.6	160.3	-73	-179	167.2	179.3	-4	120.4
386	K	28.5	Very low	27.3	Very low	206 Å²	206	153.1 Å²	153.1	90%	0.896	82%	0.817	S	S	*	*				178.2	163.3	110	-99.8	164.6	-179	178.2	0	115.3
387	T	28.5	Very low	27	Very low	121 Å²	121	151.2 Å²	151.2	74%	0.742	81%	0.813	S	S	*	*			trans	-87.2	154.8	-175.3	49.8	0	0	0	0	115.1
388	L	24.7	Very low	27	Very low	174 Å²	174	149.4 Å²	149.4	91%	0.911	80%	0.799	S	S	*	*				178.1	171.2	120.7	-97.5	162.9	0	0	0	114.5
389	K	31.2	Very low	26.9	Very low	189 Å²	189	154.5 Å²	154.5	82%	0.822	81%	0.806	S	S	*	*			trans	-88.3	163.7	176.3	-57.9	-178.6	179.6	-178.5	0	112
390	P	29.5	Very low	26.9	Very low	123 Å²	123	152.6 Å²	152.6	80%	0.799	81%	0.806	S	S	*	*				-128.5	154.2	92.8	36.7	-28.9	0	0	0	111.7
391	R	22.4	Very low	26.7	Very low	240 Å²	240	149.5 Å²	149.5	91%	0.906	81%	0.809	S	S	*	*			cis	77.7	131.4	46.9	-149.3	-179.7	-165.4	-158.7	3.2	113.5
392	M	29.6	Very low	26.6	Very low	186 Å²	186	149.1 Å²	149.1	92%	0.916	82%	0.815	S	S	*	*			trans	-98.5	172.3	-161.9	-54.7	178.3	72.7	0	0	114.8
393	S	23.1	Very low	26.5	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	81%	0.81	S	S	*	*			trans	-131.3	140.6	161.2	52.5	0	0	0	0	111.6
394	V	26.1	Very low	26.5	Very low	143 Å²	143	147 Å²	147	87%	0.867	80%	0.797	S	S	*	*			trans	-88.1	179.3	167	-127	0	0	0	0	108.3
395	S	26	Very low	26.6	Very low	112 Å²	112	151 Å²	151	78%	0.783	80%	0.8	S	S	*	*			cis	-158.5	178.1	16	39.9	0	0	0	0	108.2
396	A	25.2	Very low	26.5	Very low	80 Å²	80	150.4 Å²	150.4	66%	0.661	80%	0.798	S	S	*	*			cis	-142.6	-166.8	16.9	0	0	0	0	0	110
397	D	25.9	Very low	27.1	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	79%	0.79	S	S	*	*			cis	-159.9	178.4	16	-138.7	-29.1	0	0	0	113.7
398	E	27.3	Very low	27.9	Very low	125 Å²	125	144.9 Å²	144.9	58%	0.584	79%	0.785	S	S	*	*			trans	52.2	97.9	155.5	-68.9	-81.5	73.1	0	0	122.2
399	R	29.7	Very low	27.9	Very low	220 Å²	220	143.1 Å²	143.1	83%	0.83	78%	0.777	S	S	*	*				40.8	122.3	109.5	-159.6	-164.2	-39	-104.5	-2.8	120.7
400	G	24.8	Very low	27.6	Very low	82 Å²	82	140.5 Å²	140.5	85%	0.845	77%	0.772	S	S	*	*			trans	154.5	165	158.2	0	0	0	0	0	115.7
401	G	25.5	Very low	27.5	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	77%	0.77	S	S	*	*			trans	-169.2	-165.3	176.4	0	0	0	0	0	113.3
402	L	27.1	Very low	27.7	Very low	175 Å²	175	133.6 Å²	133.6	92%	0.916	76%	0.763	S	S	*	*			trans	80.7	172.9	-174.6	-96.7	130.6	0	0	0	117.2
403	E	24.9	Very low	28	Very low	157 Å²	157	131 Å²	131	73%	0.734	76%	0.76	S	S	*	*			trans	-109.6	176.4	-149.5	-44.9	170.9	120.3	0	0	115.7
404	N	24.8	Very low	28.7	Very low	114 Å²	114	131.6 Å²	131.6	61%	0.61	76%	0.759	S	S	*	*			trans	78.8	112.9	139.9	-79.2	-44.9	0	0	0	122.3
405	M	25.7	Very low	29.1	Very low	148 Å²	148	133.6 Å²	133.6	73%	0.729	76%	0.759	S	S	*	*				80.5	104.6	129.4	-63	-66	174.1	0	0	123.6
406	R	25.3	Very low	29.7	Very low	230 Å²	230	136.7 Å²	136.7	87%	0.868	76%	0.761	S	S	*	*			trans	67.1	171.1	130	-93.6	-178.6	175.1	-174.3	-0.6	119.6
407	P	41.7	Very low	30.2	Very low	112 Å²	112	140.6 Å²	140.6	73%	0.727	77%	0.771	S	S	*	*			cis	-124.2	-133.5	-12	27.1	-1.1	0	0	0	113
408	P	46.3	Very low	31	Very low	99 Å²	99	139.1 Å²	139.1	64%	0.643	77%	0.767	S	S	*	*				-131.7	-165.7	-95.7	43.7	-27	0	0	0	116.9
409	N	23.8	Very low	32.4	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	78%	0.775	S	S	*	*			trans	87.8	143	164.6	-60.1	-4.2	0	0	0	116.8
410	N	25	Very low	33.7	Very low	133 Å²	133	134.5 Å²	134.5	71%	0.711	76%	0.758	S	S	*	*			cis	-153.5	155.7	6.1	-130.6	9.2	0	0	0	114.8
411	S	27.7	Very low	35.8	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	73%	0.725	S	S	*	*			trans	53.3	123.1	153.9	57.6	0	0	0	0	122.6
412	S	27.2	Very low	37.8	Very low	110 Å²	110	131.4 Å²	131.4	77%	0.769	71%	0.712	S	S	*	*			trans	-75.7	176.6	165.5	-36.7	0	0	0	0	113.6
413	P	36.2	Very low	39.9	Very low	131 Å²	131	123 Å²	123	85%	0.851	67%	0.669	S	S	*	*				-131.9	172.8	92.7	39.7	-31.8	0	0	0	115.3
414	V	36	Very low	41.9	Very low	126 Å²	126	123.4 Å²	123.4	76%	0.764	67%	0.67	S	S	*	*			trans	-70.1	145.9	-170.2	179	0	0	0	0	114
415	Q	36	Very low	43.7	Very low	185 Å²	185	121.2 Å²	121.2	86%	0.864	66%	0.658	S	S	*	*			trans	-131.5	157.2	145.9	-74.9	-167.2	-58.1	0	0	109.2
416	E	37.7	Very low	45.8	Very low	177 Å²	177	116.4 Å²	116.4	83%	0.827	64%	0.639	S	S	*	*			trans	-90.5	112.3	-174.6	-64.6	163.2	126.6	0	0	110.7	T418	E416-T418 PolarHBondContact O-N 3.14Å
417	D	36.6	Very low	47.8	Very low	161 Å²	161	108.3 Å²	108.3	86%	0.861	63%	0.627	S	S	*	*			trans	-72.2	109.3	171.3	-75.1	-51.4	0	0	0	109.6
418	T	42.4	Very low	49.2	Very low	114 Å²	114	106.8 Å²	106.8	70%	0.699	61%	0.612	S	S	*	*			trans	-86.5	109.7	172.6	26.6	0	0	0	0	109.7	E416 N420	E416-T418 PolarHBondContact O-N 3.14Å; T418-N420 PolarHBondContact O-N 3.24Å; T418-N420 PolarHBondContact O-ND2 3.07Å
419	E	56.9	Low	50.3	Low	160 Å²	160	107.2 Å²	107.2	75%	0.748	61%	0.613	S	S	*	*			trans	-69	103.4	-179.7	-62.7	-172.1	129.1	0	0	110.4
420	N	57.5	Low	52.7	Low	88 Å²	88	101.9 Å²	101.9	47%	0.471	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	108.8	-178.5	-77.3	-87.9	0	0	0	110.1	T418 I430	T418-N420 PolarHBondContact O-N 3.24Å; T418-N420 PolarHBondContact O-ND2 3.07Å; N420-I430 CarbonylContact C-O 3.46Å
421	A	67.2	Low	54.9	Low	19 Å²	19	98.6 Å²	98.6	16%	0.157	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	137.9	-178.8	0	0	0	0	0	112.7	I430 E432 L435	A421-I430 PolarHBondContact N-O 3.31Å; A421-I430 PolarHBondContact O-N 3.07Å; A421-E432 HydrophobicContact CB-CG 4.06Å; A421-L435 HydrophobicContact CB-CD2 3.91Å
422	S	67.8	Low	56.7	Low	74 Å²	74	99.3 Å²	99.3	52%	0.517	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.7	127.4	176.4	61.6	0	0	0	0	112.4	E424 L428	S422-E424 PolarHBondContact O-N 3.18Å; S422-L428 CarbonylContact C-O 3.57Å; S422-L428 WeakPolarHBondContact CA-O 3.39Å
423	C	72.1	Confident	58.6	Low	0 Å²	0	102.1 Å²	102.1	0%	0	56%	0.561	C	S	.	*			trans	-65.9	113.1	173.4	178.2	0	0	0	0	111.5	L425 C426 G427 L428 I430 L435 Y439	C423-L425 PolarHBondContact O-N 3.26Å; C423-L425 VanDerWaalsContact O-N 3.08Å; C423-C426 PolarHBondContact O-N 3.45Å; C423-G427 WeakPolarHBondContact O-CA 3.5Å; C423-G427 PolarHBondContact O-N 3.13Å; C423-L428 PolarHBondContact N-O 3.13Å; C423-I430 HydrophobicContact CB-CD1 4.45Å; C423-L435 HydrophobicContact CB-CD1 3.94Å; C423-Y439 WeakPolarHBondContact SG-CE1 3.27Å; C423-Y439 VanDerWaalsContact SG-CZ 3.57Å
424	E	66.1	Low	60.2	Low	164 Å²	164	100 Å²	100	77%	0.766	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.7	-176.5	-59.5	-169.9	157.4	0	0	114.1	S422 Y439	S422-E424 PolarHBondContact O-N 3.18Å; E424-Y439 PolarHBondContact N-OH 3.33Å; E424-Y439 VanDerWaalsContact N-OH 3.16Å
425	L	62.5	Low	61.8	Low	68 Å²	68	95.6 Å²	95.6	36%	0.356	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-14.4	-176.1	-61.5	-177.3	0	0	0	114.4	C423 Y439 H443 V458	C423-L425 PolarHBondContact O-N 3.26Å; C423-L425 VanDerWaalsContact O-N 3.08Å; L425-Y439 HydrophobicContact CB-CE1 4.35Å; L425-Y439 HydrophobicContact CD1-CD1 4.13Å; L425-Y439 HydrophobicContact CD1-CE1 3.8Å; L425-Y439 HydrophobicContact CG-CE1 3.93Å; L425-H443 HydrophobicContact CD1-CB 4Å; L425-V458 HydrophobicContact CD1-CG1 3.76Å; L425-V458 HydrophobicContact CD1-CG2 3.98Å; L425-V458 HydrophobicContact CD2-CG1 3.92Å; L425-V458 HydrophobicContact CD2-CG2 4.37Å
426	C	69.4	Low	63.2	Low	47 Å²	47	90.4 Å²	90.4	32%	0.318	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.8	-0.7	178.1	71.8	0	0	0	0	116	C423 L428 H438	C423-C426 PolarHBondContact O-N 3.45Å; C426-L428 VanDerWaalsContact C-N 3.25Å; C426-L428 PolarHBondContact O-N 3.16Å; C426-H438 PolarHBondContact SG-NE2 3.06Å
427	G	67.3	Low	64.7	Low	60 Å²	60	84.5 Å²	84.5	62%	0.619	48%	0.477	S	S	*	.			trans	73.7	5.9	175.5	0	0	0	0	0	115.6	C423	C423-G427 WeakPolarHBondContact O-CA 3.5Å; C423-G427 PolarHBondContact O-N 3.13Å
428	L	72.5	Confident	66.6	Low	81 Å²	81	78.4 Å²	78.4	42%	0.424	44%	0.443	S	S	.	.			trans	-78.5	130	178.9	-66	176.8	0	0	0	111.1	S422 C423 C426 I430	S422-L428 CarbonylContact C-O 3.57Å; S422-L428 WeakPolarHBondContact CA-O 3.39Å; C423-L428 PolarHBondContact N-O 3.13Å; C426-L428 VanDerWaalsContact C-N 3.25Å; C426-L428 PolarHBondContact O-N 3.16Å; L428-I430 HydrophobicContact CB-CD1 4.28Å; L428-I430 HydrophobicContact CB-CG1 4.26Å
429	T	67.6	Low	67.8	Low	108 Å²	108	75.6 Å²	75.6	66%	0.663	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.8	168.7	49.1	0	0	0	0	110.1
430	I	74.6	Confident	68.2	Low	26 Å²	26	73 Å²	73	13%	0.133	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.2	-173.7	-51.4	178.4	0	0	0	107.4	N420 A421 C423 L428 D434 H438	N420-I430 CarbonylContact C-O 3.46Å; A421-I430 PolarHBondContact N-O 3.31Å; A421-I430 PolarHBondContact O-N 3.07Å; C423-I430 HydrophobicContact CB-CD1 4.45Å; L428-I430 HydrophobicContact CB-CD1 4.28Å; L428-I430 HydrophobicContact CB-CG1 4.26Å; I430-D434 HydrophobicContact CG2-CB 3.62Å; I430-H438 HydrophobicContact CD1-CB 3.66Å; I430-H438 VanDerWaalsContact CD1-ND1 3.26Å; I430-H438 WeakPolarHBondContact CD1-ND1 3.34Å
431	T	71.7	Confident	68.7	Low	63 Å²	63	72.9 Å²	72.9	39%	0.387	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	149.1	167.6	49	0	0	0	0	110.4	E433 D434 L435	T431-E433 PolarHBondContact O-N 2.94Å; T431-D434 PolarHBondContact O-N 3.37Å; T431-L435 PolarHBondContact O-N 3.05Å
432	E	65.1	Low	68.4	Low	124 Å²	124	77.3 Å²	77.3	58%	0.579	44%	0.438	S	S	*	.	H	α-helix	trans	-59.8	-33.9	-178	-60.7	-141.8	131.6	0	0	112.9	A421 L435	A421-E432 HydrophobicContact CB-CG 4.06Å; E432-L435 WeakPolarHBondContact O-CB 3.48Å; E432-L435 PolarHBondContact O-N 3.3Å
433	E	67.6	Low	68.1	Low	168 Å²	168	74.7 Å²	74.7	79%	0.785	42%	0.418	S	S	*	.	H	α-helix	trans	-59.7	-51.1	176.9	-56.6	-174.4	147.6	0	0	111.5	T431 S436	T431-E433 PolarHBondContact O-N 2.94Å; E433-S436 PolarHBondContact O-OG 3.12Å
434	D	68.7	Low	67.7	Low	87 Å²	87	79.1 Å²	79.1	47%	0.465	44%	0.44	S	S	.	.	H	α-helix	trans	-81.6	-10.5	179.9	-88.6	-46.8	0	0	0	114.3	I430 T431 S436 S437 H438	I430-D434 HydrophobicContact CG2-CB 3.62Å; T431-D434 PolarHBondContact O-N 3.37Å; D434-S436 PolarHBondContact O-N 2.7Å; D434-S437 WeakPolarHBondContact CA-OG 3.3Å; D434-S437 PolarHBondContact O-N 3.2Å; D434-S437 PolarHBondContact O-OG 3.3Å; D434-S437 PolarHBondContact OD1-OG 3.04Å; D434-H438 VanDerWaalsContact O-CB 3.24Å; D434-H438 WeakPolarHBondContact O-CB 3.37Å; D434-H438 PolarHBondContact O-N 3.49Å
435	L	71.1	Confident	67.3	Low	34 Å²	34	79 Å²	79	18%	0.178	44%	0.44	C	S	.	.	H	α-helix	trans	-57.4	-38.9	173.4	-171	71.4	0	0	0	110.7	A421 C423 T431 E432 Y439	A421-L435 HydrophobicContact CB-CD2 3.91Å; C423-L435 HydrophobicContact CB-CD1 3.94Å; T431-L435 PolarHBondContact O-N 3.05Å; E432-L435 WeakPolarHBondContact O-CB 3.48Å; E432-L435 PolarHBondContact O-N 3.3Å; L435-Y439 HydrophobicContact CD1-CE2 3.97Å; L435-Y439 HydrophobicContact CD2-CE2 4.21Å; L435-Y439 HydrophobicContact CG-CD2 4.11Å; L435-Y439 HydrophobicContact CG-CE2 3.77Å; L435-Y439 WeakPolarHBondContact O-CD2 3.48Å; L435-Y439 PolarHBondContact O-N 3.45Å; L435-Y439 VanDerWaalsContact O-N 3.12Å
436	S	65.1	Low	67	Low	75 Å²	75	79.3 Å²	79.3	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-46.4	177.1	71.8	0	0	0	0	112.7	E433 D434 H438 Y439 L440	E433-S436 PolarHBondContact O-OG 3.12Å; D434-S436 PolarHBondContact O-N 2.7Å; S436-H438 VanDerWaalsContact C-N 3.32Å; S436-H438 PolarHBondContact O-N 2.78Å; S436-Y439 PolarHBondContact O-N 3.47Å; S436-L440 WeakPolarHBondContact O-CG 3.36Å; S436-L440 PolarHBondContact O-N 3.29Å
437	S	69.4	Low	66.8	Low	53 Å²	53	79.6 Å²	79.6	37%	0.371	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-38.2	178.1	77	0	0	0	0	110.7	D434 L440 A441	D434-S437 WeakPolarHBondContact CA-OG 3.3Å; D434-S437 PolarHBondContact O-N 3.2Å; D434-S437 PolarHBondContact O-OG 3.3Å; D434-S437 PolarHBondContact OD1-OG 3.04Å; S437-L440 PolarHBondContact O-N 2.81Å; S437-A441 VanDerWaalsContact O-CB 3.32Å; S437-A441 WeakPolarHBondContact O-CB 3.46Å; S437-A441 PolarHBondContact O-N 2.83Å
438	H	76.3	Confident	66.5	Low	33 Å²	33	78.3 Å²	78.3	15%	0.153	42%	0.421	C	S	.	.	H	α-helix	trans	-62.8	-47.5	176.6	-169.6	90	0	0	0	113.3	C426 I430 D434 S436 L440 A441 K442	C426-H438 PolarHBondContact SG-NE2 3.06Å; I430-H438 HydrophobicContact CD1-CB 3.66Å; I430-H438 VanDerWaalsContact CD1-ND1 3.26Å; I430-H438 WeakPolarHBondContact CD1-ND1 3.34Å; D434-H438 VanDerWaalsContact O-CB 3.24Å; D434-H438 WeakPolarHBondContact O-CB 3.37Å; D434-H438 PolarHBondContact O-N 3.49Å; S436-H438 VanDerWaalsContact C-N 3.32Å; S436-H438 PolarHBondContact O-N 2.78Å; H438-L440 VanDerWaalsContact C-N 3.28Å; H438-L440 PolarHBondContact O-N 3.32Å; H438-A441 PolarHBondContact O-N 2.86Å; H438-K442 VanDerWaalsContact CE1-CD 3.44Å; H438-K442 WeakPolarHBondContact CE1-CD 3.43Å; H438-K442 VanDerWaalsContact NE2-CD 3.3Å; H438-K442 WeakPolarHBondContact NE2-CD 3.15Å; H438-K442 VanDerWaalsContact O-CB 3.32Å; H438-K442 WeakPolarHBondContact O-CB 3.32Å; H438-K442 PolarHBondContact O-N 3.22Å
439	Y	68.3	Low	66.1	Low	55 Å²	55	77.9 Å²	77.9	22%	0.216	43%	0.429	C	S	.	.	H	α-helix	trans	-60.2	-40	175.9	-82.2	-64	0	0	0	111.6	C423 E424 L425 L435 S436 H443 I444	C423-Y439 WeakPolarHBondContact SG-CE1 3.27Å; C423-Y439 VanDerWaalsContact SG-CZ 3.57Å; E424-Y439 PolarHBondContact N-OH 3.33Å; E424-Y439 VanDerWaalsContact N-OH 3.16Å; L425-Y439 HydrophobicContact CB-CE1 4.35Å; L425-Y439 HydrophobicContact CD1-CD1 4.13Å; L425-Y439 HydrophobicContact CD1-CE1 3.8Å; L425-Y439 HydrophobicContact CG-CE1 3.93Å; L435-Y439 HydrophobicContact CD1-CE2 3.97Å; L435-Y439 HydrophobicContact CD2-CE2 4.21Å; L435-Y439 HydrophobicContact CG-CD2 4.11Å; L435-Y439 HydrophobicContact CG-CE2 3.77Å; L435-Y439 WeakPolarHBondContact O-CD2 3.48Å; L435-Y439 PolarHBondContact O-N 3.45Å; L435-Y439 VanDerWaalsContact O-N 3.12Å; S436-Y439 PolarHBondContact O-N 3.47Å; Y439-H443 HydrophobicContact CD1-CB 4.22Å; Y439-H443 AromaticContact CD1-CD2 3.82Å; Y439-H443 CarbonylContact O-C 3.58Å; Y439-H443 WeakPolarHBondContact O-CA 3.39Å; Y439-H443 WeakPolarHBondContact O-CB 3.35Å; Y439-H443 PolarHBondContact O-N 2.83Å; Y439-I444 PolarHBondContact O-N 3.37Å; Y439-I444 VanDerWaalsContact O-N 3.17Å
440	L	65.1	Low	66	Low	105 Å²	105	73.5 Å²	73.5	55%	0.55	40%	0.402	S	S	.	.	H	α-helix	trans	-74.8	-28.7	178.8	-67.6	173.3	0	0	0	113.9	S436 S437 H438 I444	S436-L440 WeakPolarHBondContact O-CG 3.36Å; S436-L440 PolarHBondContact O-N 3.29Å; S437-L440 PolarHBondContact O-N 2.81Å; H438-L440 VanDerWaalsContact C-N 3.28Å; H438-L440 PolarHBondContact O-N 3.32Å; L440-I444 HydrophobicContact CD2-CD1 4.22Å; L440-I444 VanDerWaalsContact O-CB 3.25Å; L440-I444 WeakPolarHBondContact O-CB 3.43Å; L440-I444 VanDerWaalsContact O-CG2 3.24Å; L440-I444 WeakPolarHBondContact O-CG2 3.17Å
441	A	67.2	Low	65.1	Low	86 Å²	86	76.6 Å²	76.6	71%	0.711	44%	0.441	S	S	*	.	H	α-helix	trans	-83.7	-41	177.1	0	0	0	0	0	112.9	S437 H438	S437-A441 VanDerWaalsContact O-CB 3.32Å; S437-A441 WeakPolarHBondContact O-CB 3.46Å; S437-A441 PolarHBondContact O-N 2.83Å; H438-A441 PolarHBondContact O-N 2.86Å
442	K	61.8	Low	64.4	Low	112 Å²	112	81.1 Å²	81.1	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-108.2	-20.6	-166.8	-157.9	-179.3	-175.6	-177.5	0	114.5	H438	H438-K442 VanDerWaalsContact CE1-CD 3.44Å; H438-K442 WeakPolarHBondContact CE1-CD 3.43Å; H438-K442 VanDerWaalsContact NE2-CD 3.3Å; H438-K442 WeakPolarHBondContact NE2-CD 3.15Å; H438-K442 VanDerWaalsContact O-CB 3.32Å; H438-K442 WeakPolarHBondContact O-CB 3.32Å; H438-K442 PolarHBondContact O-N 3.22Å
443	H	60.7	Low	64.6	Low	19 Å²	19	78.5 Å²	78.5	9%	0.088	45%	0.45	C	S	.	.	S	Bend	trans	-124.4	1.1	-173.4	-64.4	-50.7	0	0	0	114.5	L425 Y439 E445 N446 I447	L425-H443 HydrophobicContact CD1-CB 4Å; Y439-H443 HydrophobicContact CD1-CB 4.22Å; Y439-H443 AromaticContact CD1-CD2 3.82Å; Y439-H443 CarbonylContact O-C 3.58Å; Y439-H443 WeakPolarHBondContact O-CA 3.39Å; Y439-H443 WeakPolarHBondContact O-CB 3.35Å; Y439-H443 PolarHBondContact O-N 2.83Å; H443-E445 VanDerWaalsContact C-N 3.32Å; H443-E445 PolarHBondContact O-N 3.37Å; H443-N446 CarbonylContact O-C 3.58Å; H443-N446 VanDerWaalsContact O-CA 3.26Å; H443-N446 WeakPolarHBondContact O-CA 3.43Å; H443-N446 WeakPolarHBondContact O-CB 3.46Å; H443-N446 PolarHBondContact O-N 3.29Å; H443-I447 PolarHBondContact O-N 3.27Å
444	I	64.3	Low	64.3	Low	93 Å²	93	73.1 Å²	73.1	48%	0.477	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31.8	-177.4	-163.3	166	0	0	0	114.7	Y439 L440 N446 I447	Y439-I444 PolarHBondContact O-N 3.37Å; Y439-I444 VanDerWaalsContact O-N 3.17Å; L440-I444 HydrophobicContact CD2-CD1 4.22Å; L440-I444 VanDerWaalsContact O-CB 3.25Å; L440-I444 WeakPolarHBondContact O-CB 3.43Å; L440-I444 VanDerWaalsContact O-CG2 3.24Å; L440-I444 WeakPolarHBondContact O-CG2 3.17Å; I444-N446 PolarHBondContact O-N 3.37Å; I444-N446 VanDerWaalsContact O-N 3.17Å; I444-I447 PolarHBondContact O-N 2.82Å
445	E	57.1	Low	64.3	Low	163 Å²	163	74.2 Å²	74.2	76%	0.762	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-63.1	-20.5	171.3	-61.9	-161.5	153.5	0	0	113	H443 K459	H443-E445 VanDerWaalsContact C-N 3.32Å; H443-E445 PolarHBondContact O-N 3.37Å; E445-K459 VanDerWaalsContact O-CD 3.27Å; E445-K459 WeakPolarHBondContact O-CD 3.27Å; E445-K459 PolarHBondContact O-NZ 2.84Å
446	N	57	Low	63.9	Low	73 Å²	73	78.5 Å²	78.5	39%	0.39	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-103.9	9.6	176.1	-62.7	-34.4	0	0	0	113.1	H443 I444 V458 K459	H443-N446 CarbonylContact O-C 3.58Å; H443-N446 VanDerWaalsContact O-CA 3.26Å; H443-N446 WeakPolarHBondContact O-CA 3.43Å; H443-N446 WeakPolarHBondContact O-CB 3.46Å; H443-N446 PolarHBondContact O-N 3.29Å; I444-N446 PolarHBondContact O-N 3.37Å; I444-N446 VanDerWaalsContact O-N 3.17Å; N446-V458 HydrophobicContact CB-CG1 4.42Å; N446-V458 CarbonylContact O-C 3.59Å; N446-V458 WeakPolarHBondContact O-CA 3.29Å; N446-K459 HydrophobicContact CB-CB 4.27Å; N446-K459 WeakPolarHBondContact O-CB 3.46Å; N446-K459 PolarHBondContact O-N 2.74Å
447	I	63.2	Low	64	Low	53 Å²	53	75.8 Å²	75.8	27%	0.272	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.2	172.1	-65.7	174.6	0	0	0	109.2	H443 I444 I456	H443-I447 PolarHBondContact O-N 3.27Å; I444-I447 PolarHBondContact O-N 2.82Å; I447-I456 HydrophobicContact CG2-CG2 3.45Å; I447-I456 VanDerWaalsContact CG2-CG2 3.45Å
448	C	62.3	Low	63.8	Low	34 Å²	34	75 Å²	75	23%	0.23	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.5	-178.6	-73.6	0	0	0	0	110.1	L457 L463	C448-L457 PolarHBondContact N-O 2.84Å; C448-L457 WeakPolarHBondContact O-CB 3.35Å; C448-L457 PolarHBondContact O-N 2.93Å; C448-L463 HydrophobicContact CB-CD1 4.43Å; C448-L463 HydrophobicContact CB-CD2 3.9Å
449	A	64.8	Low	62.8	Low	71 Å²	71	78.8 Å²	78.8	59%	0.587	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	136.6	173	0	0	0	0	0	111	G451 Q455	A449-G451 PolarHBondContact O-N 2.85Å; A449-Q455 WeakPolarHBondContact CA-O 3.39Å
450	C	65.2	Low	62.6	Low	16 Å²	16	78.1 Å²	78.1	11%	0.108	46%	0.462	C	S	.	.			trans	-76.4	109.2	173.7	-177.2	0	0	0	0	110.9	K452 C453 G454 Q455 L457 H466	C450-K452 PolarHBondContact O-N 3.18Å; C450-C453 PolarHBondContact O-N 3.2Å; C450-C453 VanDerWaalsContact O-N 3.15Å; C450-G454 PolarHBondContact O-N 3.16Å; C450-Q455 PolarHBondContact N-O 3.3Å; C450-L457 HydrophobicContact CB-CD1 3.86Å; C450-H466 PolarHBondContact SG-NE2 2.84Å
451	G	54.9	Low	61.9	Low	91 Å²	91	82.6 Å²	82.6	94%	0.938	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	3.5	-178.6	0	0	0	0	0	116.6	A449	A449-G451 PolarHBondContact O-N 2.85Å
452	K	57.4	Low	61.5	Low	158 Å²	158	83.3 Å²	83.3	69%	0.687	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-32.2	172.1	-71	-174	-178.9	-175.4	0	114.1	C450 C470	C450-K452 PolarHBondContact O-N 3.18Å; K452-C470 VanDerWaalsContact CB-SG 3.59Å; K452-C470 HydrophobicContact CD-CB 4.46Å; K452-C470 PolarHBondContact NZ-O 2.77Å
453	C	68	Low	61.5	Low	69 Å²	69	80.3 Å²	80.3	47%	0.466	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-1.7	-172	66.2	0	0	0	0	114.2	C450 Q455 H466	C450-C453 PolarHBondContact O-N 3.2Å; C450-C453 VanDerWaalsContact O-N 3.15Å; C453-Q455 PolarHBondContact O-N 3.16Å; C453-H466 VanDerWaalsContact SG-CE1 3.54Å; C453-H466 PolarHBondContact SG-NE2 3.35Å
454	G	63	Low	61.5	Low	55 Å²	55	85.6 Å²	85.6	57%	0.567	47%	0.474	S	S	*	.			trans	76.5	-9.6	-179.3	0	0	0	0	0	115.5	C450 I456	C450-G454 PolarHBondContact O-N 3.16Å; G454-I456 PolarHBondContact O-N 2.61Å
455	Q	68.3	Low	61.4	Low	110 Å²	110	84.2 Å²	84.2	51%	0.514	47%	0.465	S	S	.	.			trans	-62.3	131.2	-175.5	-166.3	172	19.6	0	0	111.9	A449 C450 C453 L457 H466	A449-Q455 WeakPolarHBondContact CA-O 3.39Å; C450-Q455 PolarHBondContact N-O 3.3Å; C453-Q455 PolarHBondContact O-N 3.16Å; Q455-L457 HydrophobicContact CG-CD2 4.11Å; Q455-L457 HydrophobicContact CG-CG 4.44Å; Q455-H466 PolarHBondContact OE1-CE1 2.65Å; Q455-H466 PolarHBondContact OE1-ND1 3.36Å
456	I	62	Low	62	Low	124 Å²	124	77.9 Å²	77.9	64%	0.636	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.1	175.2	-56.8	177.5	0	0	0	108.5	I447 G454	I447-I456 HydrophobicContact CG2-CG2 3.45Å; I447-I456 VanDerWaalsContact CG2-CG2 3.45Å; G454-I456 PolarHBondContact O-N 2.61Å
457	L	67.2	Low	62.2	Low	18 Å²	18	77.5 Å²	77.5	9%	0.094	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.6	-170.9	-60.7	163.7	0	0	0	111.5	C448 C450 Q455 L463 H466	C448-L457 PolarHBondContact N-O 2.84Å; C448-L457 WeakPolarHBondContact O-CB 3.35Å; C448-L457 PolarHBondContact O-N 2.93Å; C450-L457 HydrophobicContact CB-CD1 3.86Å; Q455-L457 HydrophobicContact CG-CD2 4.11Å; Q455-L457 HydrophobicContact CG-CG 4.44Å; L457-L463 HydrophobicContact CB-CD1 4.23Å; L457-L463 HydrophobicContact CD1-CD1 3.7Å; L457-H466 HydrophobicContact CD1-CB 3.73Å; L457-H466 VanDerWaalsContact CD1-CD2 3.47Å; L457-H466 WeakPolarHBondContact CD1-CD2 3.35Å; L457-H466 HydrophobicContact CD2-CB 4.2Å
458	V	66.6	Low	62.2	Low	37 Å²	37	81.9 Å²	81.9	22%	0.224	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130	172.1	-168.3	0	0	0	0	110.8	L425 N446 G460 L463	L425-V458 HydrophobicContact CD1-CG1 3.76Å; L425-V458 HydrophobicContact CD1-CG2 3.98Å; L425-V458 HydrophobicContact CD2-CG1 3.92Å; L425-V458 HydrophobicContact CD2-CG2 4.37Å; N446-V458 HydrophobicContact CB-CG1 4.42Å; N446-V458 CarbonylContact O-C 3.59Å; N446-V458 WeakPolarHBondContact O-CA 3.29Å; V458-G460 PolarHBondContact O-N 3.08Å; V458-G460 VanDerWaalsContact O-N 3.16Å; V458-L463 WeakPolarHBondContact O-CB 3.38Å; V458-L463 PolarHBondContact O-N 3.47Å
459	K	53.9	Low	62.1	Low	113 Å²	113	88.1 Å²	88.1	49%	0.491	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	102.1	-176.9	-170.4	-177.1	-169.5	174.1	0	110.8	E445 N446	E445-K459 VanDerWaalsContact O-CD 3.27Å; E445-K459 WeakPolarHBondContact O-CD 3.27Å; E445-K459 PolarHBondContact O-NZ 2.84Å; N446-K459 HydrophobicContact CB-CB 4.27Å; N446-K459 WeakPolarHBondContact O-CB 3.46Å; N446-K459 PolarHBondContact O-N 2.74Å
460	G	63.5	Low	61.5	Low	41 Å²	41	85.8 Å²	85.8	42%	0.423	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	157.5	-142.5	-174.8	0	0	0	0	0	110.5	V458 Q462 L463 Q464	V458-G460 PolarHBondContact O-N 3.08Å; V458-G460 VanDerWaalsContact O-N 3.16Å; G460-Q462 VanDerWaalsContact C-N 3.31Å; G460-Q462 PolarHBondContact O-N 3.49Å; G460-L463 PolarHBondContact O-N 2.96Å; G460-Q464 PolarHBondContact O-N 3.34Å
461	R	51	Low	60.8	Low	199 Å²	199	88.3 Å²	88.3	75%	0.751	49%	0.489	S	S	*	.	H	α-helix	trans	-56.1	-43.1	-178.3	-167.8	-173.5	-67.6	178.7	0.1	112.4	Q464 E465	R461-Q464 PolarHBondContact O-N 2.82Å; R461-E465 WeakPolarHBondContact CD-OE1 3.5Å; R461-E465 HydrophobicContact CG-CG 4.33Å; R461-E465 WeakPolarHBondContact CG-OE1 3.42Å; R461-E465 WeakPolarHBondContact O-CB 3.14Å; R461-E465 WeakPolarHBondContact O-CG 3.09Å; R461-E465 PolarHBondContact O-N 3.45Å
462	Q	58.9	Low	60.4	Low	101 Å²	101	92.3 Å²	92.3	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-58.6	-49.9	177.9	-70.5	-179.8	-7.3	0	0	112.3	G460 Q464 E465 H466	G460-Q462 VanDerWaalsContact C-N 3.31Å; G460-Q462 PolarHBondContact O-N 3.49Å; Q462-Q464 VanDerWaalsContact C-N 3.32Å; Q462-Q464 PolarHBondContact O-N 3.24Å; Q462-E465 PolarHBondContact O-N 2.82Å; Q462-H466 VanDerWaalsContact O-CB 3.28Å; Q462-H466 WeakPolarHBondContact O-CB 3.23Å; Q462-H466 PolarHBondContact O-N 2.87Å
463	L	63	Low	59.6	Low	49 Å²	49	90 Å²	90	26%	0.257	49%	0.485	S	S	.	.	H	α-helix	trans	-61.1	-38.8	176	-178.8	63.6	0	0	0	112.4	C448 L457 V458 G460 A467	C448-L463 HydrophobicContact CB-CD1 4.43Å; C448-L463 HydrophobicContact CB-CD2 3.9Å; L457-L463 HydrophobicContact CB-CD1 4.23Å; L457-L463 HydrophobicContact CD1-CD1 3.7Å; V458-L463 WeakPolarHBondContact O-CB 3.38Å; V458-L463 PolarHBondContact O-N 3.47Å; G460-L463 PolarHBondContact O-N 2.96Å; L463-A467 VanDerWaalsContact O-CB 3.24Å; L463-A467 WeakPolarHBondContact O-CB 3.41Å; L463-A467 PolarHBondContact O-N 3.25Å
464	Q	59	Low	58.3	Low	129 Å²	129	95.8 Å²	95.8	60%	0.603	51%	0.505	S	S	*	.	H	α-helix	trans	-70	-41	179	-171.5	172.4	6.5	0	0	112.5	G460 R461 Q462 Q468	G460-Q464 PolarHBondContact O-N 3.34Å; R461-Q464 PolarHBondContact O-N 2.82Å; Q462-Q464 VanDerWaalsContact C-N 3.32Å; Q462-Q464 PolarHBondContact O-N 3.24Å; Q464-Q468 WeakPolarHBondContact O-CG 3.5Å; Q464-Q468 PolarHBondContact O-N 2.92Å
465	E	62.8	Low	56.8	Low	65 Å²	65	99.5 Å²	99.5	30%	0.304	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-42	173.8	-77.5	-171.4	-133.3	0	0	112.2	R461 Q462 Q468 R469	R461-E465 WeakPolarHBondContact CD-OE1 3.5Å; R461-E465 HydrophobicContact CG-CG 4.33Å; R461-E465 WeakPolarHBondContact CG-OE1 3.42Å; R461-E465 WeakPolarHBondContact O-CB 3.14Å; R461-E465 WeakPolarHBondContact O-CG 3.09Å; R461-E465 PolarHBondContact O-N 3.45Å; Q462-E465 PolarHBondContact O-N 2.82Å; E465-Q468 WeakPolarHBondContact O-CB 3.34Å; E465-Q468 PolarHBondContact O-N 3.43Å; E465-R469 PolarHBondContact O-N 2.84Å; E465-R469 IonicContact OE2-CZ 3.68Å; E465-R469 VanDerWaalsContact OE2-CZ 3.27Å; E465-R469 IonicContact OE2-NH1 3.76Å; E465-R469 PolarHBondContact OE2-NH1 3.27Å; E465-R469 IonicContact OE2-NH2 2.69Å; E465-R469 PolarHBondContact OE2-NH2 3.48Å
466	H	69.1	Low	55.7	Low	29 Å²	29	102.8 Å²	102.8	13%	0.134	53%	0.532	C	S	.	.	H	α-helix	trans	-62.1	-44	174.5	-179.2	101.1	0	0	0	110.8	C450 C453 Q455 L457 Q462 Q468 R469 C470	C450-H466 PolarHBondContact SG-NE2 2.84Å; C453-H466 VanDerWaalsContact SG-CE1 3.54Å; C453-H466 PolarHBondContact SG-NE2 3.35Å; Q455-H466 PolarHBondContact OE1-CE1 2.65Å; Q455-H466 PolarHBondContact OE1-ND1 3.36Å; L457-H466 HydrophobicContact CD1-CB 3.73Å; L457-H466 VanDerWaalsContact CD1-CD2 3.47Å; L457-H466 WeakPolarHBondContact CD1-CD2 3.35Å; L457-H466 HydrophobicContact CD2-CB 4.2Å; Q462-H466 VanDerWaalsContact O-CB 3.28Å; Q462-H466 WeakPolarHBondContact O-CB 3.23Å; Q462-H466 PolarHBondContact O-N 2.87Å; H466-Q468 PolarHBondContact O-N 3.48Å; H466-Q468 VanDerWaalsContact O-N 3.16Å; H466-R469 PolarHBondContact O-N 3.15Å; H466-C470 WeakPolarHBondContact O-CB 3.42Å; H466-C470 PolarHBondContact O-N 2.95Å
467	A	62.8	Low	54.5	Low	66 Å²	66	102.8 Å²	102.8	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-61.3	-23.3	176.8	0	0	0	0	0	113.6	L463	L463-A467 VanDerWaalsContact O-CB 3.24Å; L463-A467 WeakPolarHBondContact O-CB 3.41Å; L463-A467 PolarHBondContact O-N 3.25Å
468	Q	62	Low	53.2	Low	144 Å²	144	109.5 Å²	109.5	67%	0.673	57%	0.57	S	S	*	*	H	α-helix	trans	-83.3	-24.9	173.7	-70.7	170.2	6.3	0	0	113.6	Q464 E465 H466	Q464-Q468 WeakPolarHBondContact O-CG 3.5Å; Q464-Q468 PolarHBondContact O-N 2.92Å; E465-Q468 WeakPolarHBondContact O-CB 3.34Å; E465-Q468 PolarHBondContact O-N 3.43Å; H466-Q468 PolarHBondContact O-N 3.48Å; H466-Q468 VanDerWaalsContact O-N 3.16Å
469	R	61.3	Low	51.6	Low	165 Å²	165	115.7 Å²	115.7	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-101.3	-16.5	-179.8	-61	177	-168.7	122.9	10.7	113.7	E465 H466 G471	E465-R469 PolarHBondContact O-N 2.84Å; E465-R469 IonicContact OE2-CZ 3.68Å; E465-R469 VanDerWaalsContact OE2-CZ 3.27Å; E465-R469 IonicContact OE2-NH1 3.76Å; E465-R469 PolarHBondContact OE2-NH1 3.27Å; E465-R469 IonicContact OE2-NH2 2.69Å; E465-R469 PolarHBondContact OE2-NH2 3.48Å; H466-R469 PolarHBondContact O-N 3.15Å; R469-G471 PolarHBondContact O-N 3.33Å
470	C	51	Low	50.4	Low	22 Å²	22	113 Å²	113	15%	0.149	61%	0.607	C	S	.	*	T	Hydrogen-bonded Turn	trans	-76	83.1	-177.5	-168.4	0	0	0	0	112	K452 H466	K452-C470 VanDerWaalsContact CB-SG 3.59Å; K452-C470 HydrophobicContact CD-CB 4.46Å; K452-C470 PolarHBondContact NZ-O 2.77Å; H466-C470 WeakPolarHBondContact O-CB 3.42Å; H466-C470 PolarHBondContact O-N 2.95Å
471	G	51.9	Low	48.8	Very low	70 Å²	70	119 Å²	119	72%	0.722	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177	-16.9	177.4	0	0	0	0	0	116.3	R469	R469-G471 PolarHBondContact O-N 3.33Å
472	E	44.6	Very low	47.8	Very low	175 Å²	175	112.6 Å²	112.6	82%	0.818	62%	0.624	S	S	*	*			trans	-96.4	136.7	178.9	-63.9	-173.9	145.9	0	0	111.7
473	P	41.6	Very low	46.3	Very low	110 Å²	110	114.3 Å²	114.3	71%	0.714	64%	0.636	S	S	*	*			trans	-75.6	125.2	173.5	31	-32.3	0	0	0	110.1	D475	P473-D475 PolarHBondContact O-N 2.81Å
474	Q	40.8	Very low	44.7	Very low	189 Å²	189	118.7 Å²	118.7	88%	0.883	67%	0.665	S	S	*	*			trans	-91.7	98.9	167.5	-77.2	175.7	-28.6	0	0	108.6	L476	Q474-L476 PolarHBondContact O-N 2.86Å
475	D	31.2	Very low	43.5	Very low	133 Å²	133	121.8 Å²	121.8	71%	0.711	68%	0.68	S	S	*	*			trans	-61.5	112	-179.7	-76.8	-46.3	0	0	0	111.4	P473 T477	P473-D475 PolarHBondContact O-N 2.81Å; D475-T477 VanDerWaalsContact C-N 3.29Å; D475-T477 PolarHBondContact O-N 3.45Å
476	L	45.9	Very low	42	Very low	180 Å²	180	128 Å²	128	94%	0.942	71%	0.709	S	S	*	*			trans	-74.1	81.5	169.9	-72.1	172.3	0	0	0	110.1	Q474	Q474-L476 PolarHBondContact O-N 2.86Å
477	T	35.6	Very low	40.1	Very low	124 Å²	124	134.8 Å²	134.8	76%	0.761	74%	0.738	S	S	*	*			trans	-125.5	148.9	168.9	55.8	0	0	0	0	111.7	D475	D475-T477 VanDerWaalsContact C-N 3.29Å; D475-T477 PolarHBondContact O-N 3.45Å
478	M	39.8	Very low	38.4	Very low	158 Å²	158	138 Å²	138	78%	0.778	74%	0.743	S	S	*	*			trans	-72.2	146.4	-157.6	-66.4	-175	68.2	0	0	116.3
479	N	34.7	Very low	36.6	Very low	168 Å²	168	136.9 Å²	136.9	90%	0.898	74%	0.742	S	S	*	*				-143.1	139.1	116.3	-70.8	-67	0	0	0	105.9
480	G	26.8	Very low	35.2	Very low	56 Å²	56	135.1 Å²	135.1	58%	0.577	74%	0.744	S	S	*	*			cis	90.4	125.8	21.6	0	0	0	0	0	109.9
481	L	31.3	Very low	34.1	Very low	168 Å²	168	141.3 Å²	141.3	88%	0.88	77%	0.771	S	S	*	*			cis	-156.8	168.4	1.8	-103.9	166.2	0	0	0	108.5
482	G	28.6	Very low	32.9	Very low	64 Å²	64	145.8 Å²	145.8	66%	0.66	77%	0.773	S	S	*	*			trans	134.1	71.7	176.4	0	0	0	0	0	113.4
483	N	29.5	Very low	32	Very low	136 Å²	136	144.8 Å²	144.8	73%	0.727	77%	0.773	S	S	*	*				69.9	103.4	79.3	-59.6	10.9	0	0	0	113.7
484	T	28.5	Very low	32	Very low	142 Å²	142	143.7 Å²	143.7	87%	0.871	77%	0.766	S	S	*	*				-166.5	121.9	104.1	32.1	0	0	0	0	109.5
485	E	34.5	Very low	31.2	Very low	194 Å²	194	141.8 Å²	141.8	91%	0.907	76%	0.762	S	S	*	*			trans	-88.6	134.4	159.1	-62.7	177.4	146	0	0	108
486	E	31.3	Very low	31.1	Very low	196 Å²	196	143 Å²	143	92%	0.916	76%	0.763	S	S	*	*			trans	-125.9	166.2	154	-76.2	-158.7	139.6	0	0	109.5
487	K	28.3	Very low	30.1	Very low	170 Å²	170	141.5 Å²	141.5	74%	0.739	75%	0.752	S	S	*	*			trans	-149	162.1	-148	-173.6	-151.2	169.3	-150.9	0	108.9
488	M	27.6	Very low	29.8	Very low	134 Å²	134	140.1 Å²	140.1	66%	0.66	75%	0.747	S	S	*	*			trans	81.5	145.6	171.9	-56.9	174	-50.1	0	0	113.3
489	D	24.4	Very low	29.2	Very low	121 Å²	121	140.7 Å²	140.7	65%	0.647	75%	0.748	S	S	*	*			cis	-166.7	162.6	-7.4	-106.1	-10.2	0	0	0	109.9
490	L	30.5	Very low	28.9	Very low	128 Å²	128	140.1 Å²	140.1	67%	0.67	74%	0.743	S	S	*	*			trans	53.3	149.8	148.6	-83	74.8	0	0	0	120.6
491	E	28.7	Very low	28.7	Very low	152 Å²	152	147 Å²	147	71%	0.71	75%	0.752	S	S	*	*			cis	-164.1	173.2	-12.9	-125.3	168.5	-161.3	0	0	111.9
492	E	26.4	Very low	28.4	Very low	164 Å²	164	144.7 Å²	144.7	77%	0.766	74%	0.74	S	S	*	*			trans	30.5	120.4	156.9	-55.7	-160.1	140.7	0	0	124.8
493	N	25.4	Very low	28.3	Very low	153 Å²	153	148.4 Å²	148.4	82%	0.818	74%	0.742	S	S	*	*				38.7	167.6	111.1	-89.5	-2.9	0	0	0	123.1
494	P	42.3	Very low	28	Very low	88 Å²	88	150.3 Å²	150.3	57%	0.571	74%	0.744	S	S	*	*			cis	-138.8	-168.1	-36.8	40.8	-22.7	0	0	0	113.2
495	D	23.5	Very low	28.1	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	73%	0.728	S	S	*	*			trans	57	143.5	155.1	-54.9	-38.2	0	0	0	119.6
496	E	29.1	Very low	27.7	Very low	157 Å²	157	146.7 Å²	146.7	73%	0.734	72%	0.723	S	S	*	*			cis	-157.2	144.6	46.3	-81.6	-167.6	127.7	0	0	114.1
497	Q	26	Very low	27.6	Very low	150 Å²	150	144.5 Å²	144.5	70%	0.701	72%	0.715	S	S	*	*			trans	53.4	122.7	131.1	-56.1	177.3	48.9	0	0	122.9
498	S	28.4	Very low	27.8	Very low	94 Å²	94	143 Å²	143	66%	0.657	72%	0.715	S	S	*	*				-0.5	154.4	121.6	52.7	0	0	0	0	118.6
499	E	27.6	Very low	27.7	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.794	72%	0.718	S	S	*	*			cis	-171.3	-169.9	48.1	-155	175	-124.4	0	0	112.7
500	I	27.6	Very low	27.8	Very low	157 Å²	157	142.8 Å²	142.8	81%	0.805	72%	0.716	S	S	*	*			trans	92.5	148.8	160.6	-61.5	154.8	0	0	0	116.9
501	R	24.1	Very low	27.8	Very low	200 Å²	200	145.8 Å²	145.8	76%	0.755	72%	0.724	S	S	*	*			trans	-154.9	149.7	-155.4	135.5	-156.2	-97.7	-91.8	11.7	108.8
502	D	24.9	Very low	27.8	Very low	120 Å²	120	147.9 Å²	147.9	64%	0.642	73%	0.725	S	S	*	*			trans	61.5	164.9	170.8	-53.7	-31.7	0	0	0	114.6
503	M	26	Very low	27.7	Very low	141 Å²	141	147 Å²	147	70%	0.695	73%	0.726	S	S	*	*			cis	-163.3	158.6	16.9	-151.7	173.6	65.1	0	0	112.4
504	F	23.4	Very low	27.9	Very low	176 Å²	176	144.4 Å²	144.4	77%	0.772	72%	0.72	S	S	*	*			trans	72.9	151	153	-93.8	-150.3	0	0	0	120.6
505	V	29.6	Very low	27.3	Very low	89 Å²	89	148.9 Å²	148.9	54%	0.539	73%	0.732	S	S	.	*			cis	-162.2	-175.2	-12.8	91.4	0	0	0	0	113
506	E	27.2	Very low	27.6	Very low	171 Å²	171	151.2 Å²	151.2	80%	0.799	73%	0.732	S	S	*	*			trans	82.8	118.8	173.8	-87.3	149.4	-127.6	0	0	116.7
507	M	28.3	Very low	27.6	Very low	151 Å²	151	153.2 Å²	153.2	74%	0.744	74%	0.741	S	S	*	*			cis	72.7	136.6	20.4	-130.7	-153.8	-54	0	0	113.4
508	L	31.9	Very low	27.6	Very low	139 Å²	139	152.5 Å²	152.5	73%	0.728	74%	0.74	S	S	*	*			cis	-124.4	-174.9	-0	-78.7	163.6	0	0	0	108.8
509	D	27.1	Very low	27.4	Very low	136 Å²	136	154.8 Å²	154.8	73%	0.727	75%	0.745	S	S	*	*			cis	-150.7	-162.3	-1.9	-129	-32.1	0	0	0	106.5
510	D	25.6	Very low	27.4	Very low	114 Å²	114	150.9 Å²	150.9	61%	0.61	74%	0.737	S	S	*	*			cis	-144.4	173.7	5.4	174.8	35	0	0	0	107.7
511	F	30.7	Very low	27.6	Very low	190 Å²	190	150 Å²	150	83%	0.833	73%	0.732	S	S	*	*			trans	-137.9	137.6	174	-106.3	-98.4	0	0	0	111.5
512	R	27.9	Very low	28	Very low	197 Å²	197	147.8 Å²	147.8	74%	0.743	73%	0.73	S	S	*	*			trans	-152.5	107.5	159.5	-153.8	163	-62.6	-88.5	-7.3	116.8
513	D	26	Very low	28.5	Very low	146 Å²	146	151.2 Å²	151.2	78%	0.781	74%	0.74	S	S	*	*			trans	58.2	151.6	145.7	-62.4	-42.8	0	0	0	122.7
514	S	29.4	Very low	29.1	Very low	98 Å²	98	152.2 Å²	152.2	69%	0.685	74%	0.74	S	S	*	*			trans	-109.8	157.1	-176.7	65.1	0	0	0	0	111.5
515	H	28.5	Very low	29.6	Very low	181 Å²	181	151.5 Å²	151.5	84%	0.838	74%	0.739	S	S	*	*				-166.1	158.5	116.5	-124.2	-95.2	0	0	0	114.6
516	Y	29.5	Very low	30.5	Very low	199 Å²	199	154.4 Å²	154.4	78%	0.78	75%	0.751	S	S	*	*			trans	-63.5	144.3	168.4	-93.4	-119.9	0	0	0	113
517	Q	29.1	Very low	30.9	Very low	199 Å²	199	153.5 Å²	153.5	93%	0.93	74%	0.744	S	S	*	*				-159	163.2	125.6	-115.9	172.2	48.3	0	0	114.2
518	I	26.9	Very low	31.7	Very low	135 Å²	135	155 Å²	155	69%	0.692	75%	0.747	S	S	*	*			trans	-113.7	134.4	-168.7	-66	163.7	0	0	0	110.1
519	N	24.4	Very low	32.3	Very low	142 Å²	142	155.2 Å²	155.2	76%	0.759	74%	0.744	S	S	*	*			trans	-175.6	132.1	144.8	-93.8	-50.5	0	0	0	107.5
520	S	27.2	Very low	33.3	Very low	88 Å²	88	154 Å²	154	62%	0.615	75%	0.746	S	S	*	*				65.9	134.9	62.4	103.6	0	0	0	0	112.8
521	I	32.2	Very low	34.7	Very low	137 Å²	137	152.8 Å²	152.8	70%	0.703	75%	0.752	S	S	*	*			cis	-158.6	150.7	-3.8	-133.7	168	0	0	0	110.4
522	Q	32.5	Very low	35.9	Very low	154 Å²	154	145 Å²	145	72%	0.72	72%	0.721	S	S	*	*			trans	50.9	132.4	162.8	-63.2	172.3	16.9	0	0	121.4
523	K	35.8	Very low	37.5	Very low	193 Å²	193	140.4 Å²	140.4	84%	0.839	72%	0.717	S	S	*	*				-166.3	112.6	111.4	-104.3	156.2	-169.8	169.2	0	114.8
524	K	37.2	Very low	39.2	Very low	162 Å²	162	137 Å²	137	70%	0.704	70%	0.695	S	S	*	*			trans	33.9	113	134.1	-55.9	179.5	-179.4	-175.9	0	118.2
525	Q	35.1	Very low	41.2	Very low	160 Å²	160	139.9 Å²	139.9	75%	0.748	69%	0.691	S	S	*	*				-121.4	124.3	122.4	-80.8	-62.4	0.2	0	0	109.9	F527	Q525-F527 HydrophobicContact CB-CD2 4.08Å; Q525-F527 HydrophobicContact CB-CE2 3.88Å; Q525-F527 HydrophobicContact CG-CE2 3.96Å
526	L	47.1	Very low	43.5	Very low	151 Å²	151	131.2 Å²	131.2	79%	0.791	65%	0.651	S	S	*	*			trans	-122.1	88.5	-174.4	-129.9	172.7	0	0	0	106.3
527	F	37.5	Very low	45.2	Very low	151 Å²	151	126.2 Å²	126.2	66%	0.662	64%	0.642	S	S	*	*			trans	-94	120.9	-177.8	-81	-72.4	0	0	0	112	Q525	Q525-F527 HydrophobicContact CB-CD2 4.08Å; Q525-F527 HydrophobicContact CB-CE2 3.88Å; Q525-F527 HydrophobicContact CG-CE2 3.96Å
528	K	44.3	Very low	47	Very low	182 Å²	182	121.1 Å²	121.1	79%	0.791	62%	0.621	S	S	*	*			trans	-81.8	122.6	159.8	-68.8	178	174.6	179.6	0	107.7
529	H	43.7	Very low	49.2	Very low	144 Å²	144	117.3 Å²	117.3	67%	0.667	61%	0.607	S	S	*	*				171.9	123.7	109.8	-104.3	-83.2	0	0	0	112.9	A531	H529-A531 VanDerWaalsContact C-N 3.25Å; H529-A531 PolarHBondContact O-N 3.21Å
530	S	49.5	Very low	51.1	Low	112 Å²	112	111.5 Å²	111.5	78%	0.783	58%	0.58	S	S	*	*	S	Bend	trans	41.6	0.3	140.3	44.6	0	0	0	0	124
531	A	53.6	Low	53.2	Low	88 Å²	88	111.7 Å²	111.7	73%	0.727	57%	0.571	S	S	*	*			trans	-116.5	-13.2	-171.9	0	0	0	0	0	115.3	H529 P533	H529-A531 VanDerWaalsContact C-N 3.25Å; H529-A531 PolarHBondContact O-N 3.21Å; A531-P533 WeakPolarHBondContact O-CD 3.4Å
532	C	56.2	Low	54.9	Low	26 Å²	26	112.9 Å²	112.9	18%	0.176	57%	0.567	C	S	.	*			trans	-66.8	119.8	-177.8	-51.7	0	0	0	0	111.8	R542 F543	C532-R542 HydrophobicContact CB-CB 3.87Å; C532-R542 PolarHBondContact O-NH1 2.87Å; C532-F543 WeakPolarHBondContact CB-O 3.33Å
533	P	60.9	Low	57	Low	101 Å²	101	107.1 Å²	107.1	66%	0.656	54%	0.539	S	S	*	.			trans	-82.8	-29	-178.1	32.1	-32.9	0	0	0	112.6	A531	A531-P533 WeakPolarHBondContact O-CD 3.4Å
534	F	62.9	Low	58	Low	75 Å²	75	104.1 Å²	104.1	33%	0.329	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	144.1	-176.9	-49.9	-79	0	0	0	112.5	R542 F543 E546 V549	F534-R542 WeakPolarHBondContact O-CA 3.3Å; F534-F543 PolarHBondContact O-N 3.06Å; F534-E546 HydrophobicContact CD1-CB 4.34Å; F534-E546 HydrophobicContact CE1-CB 3.99Å; F534-E546 HydrophobicContact CE1-CG 4.37Å; F534-E546 HydrophobicContact CE2-CB 4.31Å; F534-E546 HydrophobicContact CZ-CB 3.98Å; F534-V549 HydrophobicContact CB-CG2 3.38Å; F534-V549 HydrophobicContact CG-CG2 4.15Å
535	R	70.4	Confident	59.1	Low	157 Å²	157	99.7 Å²	99.7	59%	0.592	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	129.8	-176.2	-177.9	-179.5	179.5	-114.5	-1	111	P537 G540 Q541	R535-P537 WeakPolarHBondContact O-CD 3.32Å; R535-G540 PolarHBondContact NE-O 2.67Å; R535-Q541 CarbonylContact C-O 3.56Å; R535-Q541 WeakPolarHBondContact CA-O 3.15Å
536	C	77.6	Confident	60.3	Low	0 Å²	0	97.8 Å²	97.8	0%	0	51%	0.506	C	S	.	.			trans	-63.2	126	172.3	175	0	0	0	0	110.7	N538 C539 G540 Q541 F543 H552	C536-N538 VanDerWaalsContact C-N 3.29Å; C536-N538 PolarHBondContact O-N 3.39Å; C536-N538 PolarHBondContact SG-N 3.48Å; C536-N538 VanDerWaalsContact SG-N 3.42Å; C536-C539 VanDerWaalsContact SG-SG 3.62Å; C536-G540 WeakPolarHBondContact O-CA 3.5Å; C536-G540 PolarHBondContact O-N 2.85Å; C536-Q541 PolarHBondContact N-O 3.38Å; C536-F543 HydrophobicContact CB-CE2 3.93Å; C536-H552 PolarHBondContact SG-CD2 3.35Å; C536-H552 PolarHBondContact SG-NE2 3.22Å; C536-H552 VanDerWaalsContact SG-NE2 3.41Å
537	P	65.7	Low	61.4	Low	93 Å²	93	96.9 Å²	96.9	60%	0.604	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-30.4	177.2	-23.9	35	0	0	0	114.2	R535	R535-P537 WeakPolarHBondContact O-CD 3.32Å
538	N	65.3	Low	62.9	Low	92 Å²	92	93.3 Å²	93.3	49%	0.492	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-46.8	-169.5	-70.1	-13.4	0	0	0	113.4	C536	C536-N538 VanDerWaalsContact C-N 3.29Å; C536-N538 PolarHBondContact O-N 3.39Å; C536-N538 PolarHBondContact SG-N 3.48Å; C536-N538 VanDerWaalsContact SG-N 3.42Å
539	C	74	Confident	64.2	Low	56 Å²	56	85.2 Å²	85.2	38%	0.378	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-12.1	-179.5	72.7	0	0	0	0	113.9	C536 Q541 H552	C536-C539 VanDerWaalsContact SG-SG 3.62Å; C539-Q541 VanDerWaalsContact C-N 3.3Å; C539-Q541 PolarHBondContact O-N 2.9Å; C539-Q541 VanDerWaalsContact SG-CB 3.56Å; C539-Q541 WeakPolarHBondContact SG-CG 3.49Å; C539-Q541 PolarHBondContact SG-N 2.89Å; C539-Q541 VanDerWaalsContact SG-N 3.37Å; C539-H552 PolarHBondContact SG-NE2 2.86Å
540	G	63.4	Low	65.5	Low	19 Å²	19	82.7 Å²	82.7	20%	0.196	45%	0.45	C	S	.	.			trans	77.1	2.3	-179	0	0	0	0	0	116.7	R535 C536	R535-G540 PolarHBondContact NE-O 2.67Å; C536-G540 WeakPolarHBondContact O-CA 3.5Å; C536-G540 PolarHBondContact O-N 2.85Å
541	Q	72.4	Confident	66.5	Low	93 Å²	93	83.8 Å²	83.8	44%	0.435	44%	0.442	S	S	.	.			trans	-59.3	152	172.2	-69.4	176.1	25.5	0	0	111.3	R535 C536 C539 F543 H552	R535-Q541 CarbonylContact C-O 3.56Å; R535-Q541 WeakPolarHBondContact CA-O 3.15Å; C536-Q541 PolarHBondContact N-O 3.38Å; C539-Q541 VanDerWaalsContact C-N 3.3Å; C539-Q541 PolarHBondContact O-N 2.9Å; C539-Q541 VanDerWaalsContact SG-CB 3.56Å; C539-Q541 WeakPolarHBondContact SG-CG 3.49Å; C539-Q541 PolarHBondContact SG-N 2.89Å; C539-Q541 VanDerWaalsContact SG-N 3.37Å; Q541-F543 HydrophobicContact CB-CE2 3.66Å; Q541-F543 HydrophobicContact CB-CZ 3.69Å; Q541-H552 PolarHBondContact OE1-CE1 2.9Å
542	R	68.3	Low	67.6	Low	161 Å²	161	80.5 Å²	80.5	61%	0.608	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.9	-178.6	-66.3	-173.7	178.7	-137.9	8.3	110.9	C532 F534	C532-R542 HydrophobicContact CB-CB 3.87Å; C532-R542 PolarHBondContact O-NH1 2.87Å; F534-R542 WeakPolarHBondContact O-CA 3.3Å
543	F	75.4	Confident	68	Low	34 Å²	34	82.9 Å²	82.9	15%	0.149	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.5	-175.2	-58.1	-87.5	0	0	0	110.7	C532 F534 C536 Q541 L548 V549 H552	C532-F543 WeakPolarHBondContact CB-O 3.33Å; F534-F543 PolarHBondContact O-N 3.06Å; C536-F543 HydrophobicContact CB-CE2 3.93Å; Q541-F543 HydrophobicContact CB-CE2 3.66Å; Q541-F543 HydrophobicContact CB-CZ 3.69Å; F543-L548 HydrophobicContact CB-CB 4.12Å; F543-L548 HydrophobicContact CD1-CB 4.03Å; F543-L548 HydrophobicContact CG-CB 4.37Å; F543-V549 HydrophobicContact CB-CG2 3.78Å; F543-V549 HydrophobicContact CD2-CB 4.37Å; F543-V549 HydrophobicContact CD2-CG1 4.38Å; F543-V549 HydrophobicContact CD2-CG2 4.04Å; F543-V549 HydrophobicContact CG-CG2 4.18Å; F543-H552 HydrophobicContact CE1-CB 3.88Å; F543-H552 AromaticContact CE1-CG 3.93Å; F543-H552 HydrophobicContact CE2-CB 4.14Å; F543-H552 AromaticContact CE2-CD2 3.59Å; F543-H552 AromaticContact CE2-CG 3.79Å; F543-H552 HydrophobicContact CZ-CB 3.62Å; F543-H552 AromaticContact CZ-CD2 3.48Å; F543-H552 VanDerWaalsContact CZ-CD2 3.48Å; F543-H552 WeakPolarHBondContact CZ-CD2 3.4Å; F543-H552 AromaticContact CZ-CG 3.23Å; F543-H552 AromaticContact CZ-ND1 3.62Å; F543-H552 AromaticContact CZ-NE2 3.96Å
544	E	58.1	Low	68.1	Low	130 Å²	130	81.5 Å²	81.5	61%	0.607	41%	0.414	S	S	*	.	S	Bend	trans	-76.5	-30.2	-175.6	-66.5	173.4	178.9	0	0	112.2
545	T	60.2	Low	68.2	Low	69 Å²	69	80.2 Å²	80.2	42%	0.423	42%	0.415	S	S	.	.	S	Bend	trans	-131.1	153.6	179.1	63.8	0	0	0	0	111.5	N547 L548	T545-N547 PolarHBondContact O-N 2.81Å; T545-L548 PolarHBondContact O-N 3.16Å; T545-L548 WeakPolarHBondContact OG1-CD1 3.2Å; T545-L548 WeakPolarHBondContact OG1-CG 3.4Å
546	E	59.9	Low	67.9	Low	119 Å²	119	73.1 Å²	73.1	56%	0.556	39%	0.389	S	S	*	.	H	α-helix	trans	-61.3	-41.4	-178.4	-172.3	166.1	-171.3	0	0	112.6	F534 L548 V549 V550	F534-E546 HydrophobicContact CD1-CB 4.34Å; F534-E546 HydrophobicContact CE1-CB 3.99Å; F534-E546 HydrophobicContact CE1-CG 4.37Å; F534-E546 HydrophobicContact CE2-CB 4.31Å; F534-E546 HydrophobicContact CZ-CB 3.98Å; E546-L548 VanDerWaalsContact C-N 3.28Å; E546-L548 PolarHBondContact O-N 3.24Å; E546-V549 WeakPolarHBondContact O-CA 3.28Å; E546-V549 VanDerWaalsContact O-CB 3.24Å; E546-V549 WeakPolarHBondContact O-CB 3.43Å; E546-V549 PolarHBondContact O-N 2.73Å; E546-V550 PolarHBondContact O-N 2.86Å; E546-V550 VanDerWaalsContact O-N 3.07Å
547	N	71.1	Confident	67	Low	132 Å²	132	77.9 Å²	77.9	71%	0.706	41%	0.414	S	S	*	.	H	α-helix	trans	-55.5	-41.9	178.5	-61.9	2	0	0	0	112.4	T545 V549 V550 E551	T545-N547 PolarHBondContact O-N 2.81Å; N547-V549 VanDerWaalsContact C-N 3.27Å; N547-V549 PolarHBondContact O-N 3.24Å; N547-V550 PolarHBondContact O-N 3.43Å; N547-V550 VanDerWaalsContact O-N 3.14Å; N547-E551 PolarHBondContact O-N 2.87Å
548	L	68.4	Low	66.4	Low	77 Å²	77	80 Å²	80	40%	0.403	42%	0.42	S	S	.	.	H	α-helix	trans	-67.1	-28	176.9	-68.5	172.9	0	0	0	112.2	F543 T545 E546 H552	F543-L548 HydrophobicContact CB-CB 4.12Å; F543-L548 HydrophobicContact CD1-CB 4.03Å; F543-L548 HydrophobicContact CG-CB 4.37Å; T545-L548 PolarHBondContact O-N 3.16Å; T545-L548 WeakPolarHBondContact OG1-CD1 3.2Å; T545-L548 WeakPolarHBondContact OG1-CG 3.4Å; E546-L548 VanDerWaalsContact C-N 3.28Å; E546-L548 PolarHBondContact O-N 3.24Å; L548-H552 WeakPolarHBondContact O-CB 3.4Å; L548-H552 PolarHBondContact O-N 3.24Å
549	V	71.3	Confident	65.9	Low	12 Å²	12	80.7 Å²	80.7	7%	0.073	42%	0.42	C	S	.	.	H	α-helix	trans	-69.9	-39.8	171.8	-164.9	0	0	0	0	110.4	F534 F543 E546 N547 H552 M553	F534-V549 HydrophobicContact CB-CG2 3.38Å; F534-V549 HydrophobicContact CG-CG2 4.15Å; F543-V549 HydrophobicContact CB-CG2 3.78Å; F543-V549 HydrophobicContact CD2-CB 4.37Å; F543-V549 HydrophobicContact CD2-CG1 4.38Å; F543-V549 HydrophobicContact CD2-CG2 4.04Å; F543-V549 HydrophobicContact CG-CG2 4.18Å; E546-V549 WeakPolarHBondContact O-CA 3.28Å; E546-V549 VanDerWaalsContact O-CB 3.24Å; E546-V549 WeakPolarHBondContact O-CB 3.43Å; E546-V549 PolarHBondContact O-N 2.73Å; N547-V549 VanDerWaalsContact C-N 3.27Å; N547-V549 PolarHBondContact O-N 3.24Å; V549-H552 CarbonylContact O-C 3.54Å; V549-H552 PolarHBondContact O-N 2.97Å; V549-M553 HydrophobicContact CG1-CG 4.32Å; V549-M553 HydrophobicContact CG1-SD 4.02Å; V549-M553 WeakPolarHBondContact O-CA 3.39Å; V549-M553 VanDerWaalsContact O-CB 3.23Å; V549-M553 WeakPolarHBondContact O-CB 3.3Å; V549-M553 VanDerWaalsContact O-CG 3.22Å; V549-M553 WeakPolarHBondContact O-CG 3.41Å; V549-M553 PolarHBondContact O-N 3.13Å
550	V	71.2	Confident	64.6	Low	91 Å²	91	80.8 Å²	80.8	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-71.2	-45.7	-177.4	177.4	0	0	0	0	111.2	E546 N547 H552 M553 S554	E546-V550 PolarHBondContact O-N 2.86Å; E546-V550 VanDerWaalsContact O-N 3.07Å; N547-V550 PolarHBondContact O-N 3.43Å; N547-V550 VanDerWaalsContact O-N 3.14Å; V550-H552 VanDerWaalsContact C-N 3.3Å; V550-H552 PolarHBondContact O-N 2.85Å; V550-M553 PolarHBondContact O-N 2.93Å; V550-S554 PolarHBondContact O-N 3.08Å; V550-S554 VanDerWaalsContact O-N 3.15Å
551	E	69.5	Low	63.8	Low	134 Å²	134	86.6 Å²	86.6	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-63.5	-36.2	172.9	-175.2	-178.9	-168.4	0	0	112	N547 S554 S555	N547-E551 PolarHBondContact O-N 2.87Å; E551-S554 PolarHBondContact O-OG 3.22Å; E551-S555 PolarHBondContact O-OG 3.45Å
552	H	77.1	Confident	62.4	Low	19 Å²	19	90.4 Å²	90.4	9%	0.088	46%	0.456	C	S	.	.	H	α-helix	trans	-69.8	-35.1	169.2	175.6	74.6	0	0	0	112.3	C536 C539 Q541 F543 L548 V549 V550 S554 S555 C556	C536-H552 PolarHBondContact SG-CD2 3.35Å; C536-H552 PolarHBondContact SG-NE2 3.22Å; C536-H552 VanDerWaalsContact SG-NE2 3.41Å; C539-H552 PolarHBondContact SG-NE2 2.86Å; Q541-H552 PolarHBondContact OE1-CE1 2.9Å; F543-H552 HydrophobicContact CE1-CB 3.88Å; F543-H552 AromaticContact CE1-CG 3.93Å; F543-H552 HydrophobicContact CE2-CB 4.14Å; F543-H552 AromaticContact CE2-CD2 3.59Å; F543-H552 AromaticContact CE2-CG 3.79Å; F543-H552 HydrophobicContact CZ-CB 3.62Å; F543-H552 AromaticContact CZ-CD2 3.48Å; F543-H552 VanDerWaalsContact CZ-CD2 3.48Å; F543-H552 WeakPolarHBondContact CZ-CD2 3.4Å; F543-H552 AromaticContact CZ-CG 3.23Å; F543-H552 AromaticContact CZ-ND1 3.62Å; F543-H552 AromaticContact CZ-NE2 3.96Å; L548-H552 WeakPolarHBondContact O-CB 3.4Å; L548-H552 PolarHBondContact O-N 3.24Å; V549-H552 CarbonylContact O-C 3.54Å; V549-H552 PolarHBondContact O-N 2.97Å; V550-H552 VanDerWaalsContact C-N 3.3Å; V550-H552 PolarHBondContact O-N 2.85Å; H552-S554 PolarHBondContact O-N 3.04Å; H552-S555 WeakPolarHBondContact CA-OG 3.34Å; H552-S555 PolarHBondContact O-N 3.39Å; H552-S555 PolarHBondContact O-OG 2.95Å; H552-C556 WeakPolarHBondContact NE2-CB 3.44Å; H552-C556 WeakPolarHBondContact O-CA 3.2Å; H552-C556 WeakPolarHBondContact O-CB 3.36Å; H552-C556 PolarHBondContact O-N 3.25Å
553	M	65.1	Low	61.3	Low	76 Å²	76	87.5 Å²	87.5	37%	0.374	45%	0.448	S	S	.	.	H	α-helix	trans	-69.1	-33.6	-176.7	-90	175.9	55.6	0	0	112.8	V549 V550 L557	V549-M553 HydrophobicContact CG1-CG 4.32Å; V549-M553 HydrophobicContact CG1-SD 4.02Å; V549-M553 WeakPolarHBondContact O-CA 3.39Å; V549-M553 VanDerWaalsContact O-CB 3.23Å; V549-M553 WeakPolarHBondContact O-CB 3.3Å; V549-M553 VanDerWaalsContact O-CG 3.22Å; V549-M553 WeakPolarHBondContact O-CG 3.41Å; V549-M553 PolarHBondContact O-N 3.13Å; V550-M553 PolarHBondContact O-N 2.93Å; M553-L557 WeakPolarHBondContact O-CG 3.49Å
554	S	63.1	Low	59.8	Low	72 Å²	72	88.3 Å²	88.3	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-64.5	-54.3	170.1	53.9	0	0	0	0	110.8	V550 E551 H552 C556 L557	V550-S554 PolarHBondContact O-N 3.08Å; V550-S554 VanDerWaalsContact O-N 3.15Å; E551-S554 PolarHBondContact O-OG 3.22Å; H552-S554 PolarHBondContact O-N 3.04Å; S554-C556 VanDerWaalsContact C-N 3.31Å; S554-C556 PolarHBondContact O-N 2.98Å; S554-L557 PolarHBondContact O-N 3.48Å
555	S	65.1	Low	59.2	Low	49 Å²	49	85.5 Å²	85.5	34%	0.343	46%	0.457	S	S	.	.	H	α-helix	trans	-69.9	-19.6	-178.9	55.4	0	0	0	0	115	E551 H552 D558	E551-S555 PolarHBondContact O-OG 3.45Å; H552-S555 WeakPolarHBondContact CA-OG 3.34Å; H552-S555 PolarHBondContact O-N 3.39Å; H552-S555 PolarHBondContact O-OG 2.95Å; S555-D558 PolarHBondContact O-N 2.76Å
556	C	64.1	Low	58.6	Low	8 Å²	8	88 Å²	88	5%	0.054	47%	0.467	C	S	.	.	H	α-helix	trans	-77	-20.2	175.5	-174.8	0	0	0	0	112.8	H552 S554 D558	H552-C556 WeakPolarHBondContact NE2-CB 3.44Å; H552-C556 WeakPolarHBondContact O-CA 3.2Å; H552-C556 WeakPolarHBondContact O-CB 3.36Å; H552-C556 PolarHBondContact O-N 3.25Å; S554-C556 VanDerWaalsContact C-N 3.31Å; S554-C556 PolarHBondContact O-N 2.98Å; C556-D558 VanDerWaalsContact C-N 3.32Å
557	L	57.7	Low	58.2	Low	99 Å²	99	88.5 Å²	88.5	52%	0.518	47%	0.471	S	S	.	.	H	α-helix	trans	-70.7	-32.6	172	-67.2	165.7	0	0	0	111	M553 S554 Q559	M553-L557 WeakPolarHBondContact O-CG 3.49Å; S554-L557 PolarHBondContact O-N 3.48Å; L557-Q559 VanDerWaalsContact C-N 3.33Å
558	D	54.2	Low	57.2	Low	137 Å²	137	89.5 Å²	89.5	73%	0.733	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-15	177.8	-58.7	-40.2	0	0	0	113.3	S555 C556 D560	S555-D558 PolarHBondContact O-N 2.76Å; C556-D558 VanDerWaalsContact C-N 3.32Å; D558-D560 PolarHBondContact O-N 2.83Å
559	Q	53.5	Low	56.2	Low	107 Å²	107	92.8 Å²	92.8	50%	0.5	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	23.5	176.8	-68.9	-171	7.4	0	0	114	L557 M561 F562	L557-Q559 VanDerWaalsContact C-N 3.33Å; Q559-M561 PolarHBondContact O-N 3.37Å; Q559-F562 PolarHBondContact O-N 2.8Å
560	D	47.4	Very low	55.2	Low	59 Å²	59	96.8 Å²	96.8	32%	0.316	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	0.3	179.5	-93.6	11.2	0	0	0	115.3	D558 F562 K563 S564	D558-D560 PolarHBondContact O-N 2.83Å; D560-F562 PolarHBondContact O-N 2.81Å; D560-F562 VanDerWaalsContact O-N 3.14Å; D560-K563 WeakPolarHBondContact O-CA 3.16Å; D560-K563 WeakPolarHBondContact O-CB 3.41Å; D560-K563 PolarHBondContact O-N 3.35Å; D560-K563 WeakPolarHBondContact OD1-CD 3.22Å; D560-K563 WeakPolarHBondContact OD1-CE 3.27Å; D560-K563 IonicContact OD1-NZ 3.2Å; D560-K563 PolarHBondContact OD1-NZ 2.81Å; D560-K563 WeakPolarHBondContact OD2-CD 3.49Å; D560-K563 IonicContact OD2-NZ 3.27Å; D560-K563 PolarHBondContact OD2-NZ 3.43Å; D560-S564 PolarHBondContact O-N 3.48Å; D560-S564 VanDerWaalsContact O-N 3.12Å; D560-S564 PolarHBondContact O-OG 3.43Å
561	M	47	Very low	54	Low	141 Å²	141	99.5 Å²	99.5	70%	0.695	51%	0.512	S	S	*	.	H	α-helix	trans	-48.5	-33.9	164.3	-64.1	-67.4	96.1	0	0	113.4	Q559	Q559-M561 PolarHBondContact O-N 3.37Å
562	F	43.6	Very low	53.3	Low	172 Å²	172	102.9 Å²	102.9	75%	0.754	52%	0.519	S	S	*	.	H	α-helix	trans	-79	-15.3	174.8	-80.7	-76.8	0	0	0	114.5	Q559 D560	Q559-F562 PolarHBondContact O-N 2.8Å; D560-F562 PolarHBondContact O-N 2.81Å; D560-F562 VanDerWaalsContact O-N 3.14Å
563	K	43.4	Very low	51.8	Low	100 Å²	100	104.2 Å²	104.2	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-80.5	-39.9	168.1	-64.2	-172.1	-170.1	135	0	111.2	D560 A565 I566 M567	D560-K563 WeakPolarHBondContact O-CA 3.16Å; D560-K563 WeakPolarHBondContact O-CB 3.41Å; D560-K563 PolarHBondContact O-N 3.35Å; D560-K563 WeakPolarHBondContact OD1-CD 3.22Å; D560-K563 WeakPolarHBondContact OD1-CE 3.27Å; D560-K563 IonicContact OD1-NZ 3.2Å; D560-K563 PolarHBondContact OD1-NZ 2.81Å; D560-K563 WeakPolarHBondContact OD2-CD 3.49Å; D560-K563 IonicContact OD2-NZ 3.27Å; D560-K563 PolarHBondContact OD2-NZ 3.43Å; K563-A565 VanDerWaalsContact C-N 3.3Å; K563-A565 PolarHBondContact O-N 2.93Å; K563-I566 PolarHBondContact O-N 3.09Å; K563-M567 WeakPolarHBondContact O-CG 3.25Å; K563-M567 PolarHBondContact O-N 3.42Å; K563-M567 VanDerWaalsContact O-N 3.07Å
564	S	44.3	Very low	51.6	Low	52 Å²	52	108.5 Å²	108.5	36%	0.364	55%	0.546	S	S	.	.	H	α-helix	trans	-52.3	-46.8	178.1	-57.7	0	0	0	0	112.2	D560 I566 M567 E568	D560-S564 PolarHBondContact O-N 3.48Å; D560-S564 VanDerWaalsContact O-N 3.12Å; D560-S564 PolarHBondContact O-OG 3.43Å; S564-I566 PolarHBondContact O-N 2.81Å; S564-I566 VanDerWaalsContact O-N 3.07Å; S564-M567 PolarHBondContact O-N 3.5Å; S564-E568 PolarHBondContact O-N 3.05Å
565	A	45.6	Very low	51.3	Low	71 Å²	71	114.6 Å²	114.6	59%	0.587	56%	0.557	S	S	*	*	H	α-helix	trans	-61.5	-16.9	178.3	0	0	0	0	0	115.2	K563	K563-A565 VanDerWaalsContact C-N 3.3Å; K563-A565 PolarHBondContact O-N 2.93Å
566	I	49.2	Very low	51.1	Low	122 Å²	122	117 Å²	117	63%	0.626	56%	0.559	S	S	*	*	H	α-helix	trans	-100.8	-17.2	175.1	-59.9	177.2	0	0	0	111.1	K563 S564 N570	K563-I566 PolarHBondContact O-N 3.09Å; S564-I566 PolarHBondContact O-N 2.81Å; S564-I566 VanDerWaalsContact O-N 3.07Å; I566-N570 PolarHBondContact O-ND2 3.09Å
567	M	50	Low	51.3	Low	129 Å²	129	124.5 Å²	124.5	64%	0.635	59%	0.591	S	S	*	*	H	α-helix	trans	-88.9	-31.5	178.9	-72.4	-178.4	59.1	0	0	113.5	K563 S564 E569 N570 E571	K563-M567 WeakPolarHBondContact O-CG 3.25Å; K563-M567 PolarHBondContact O-N 3.42Å; K563-M567 VanDerWaalsContact O-N 3.07Å; S564-M567 PolarHBondContact O-N 3.5Å; M567-E569 VanDerWaalsContact C-N 3.33Å; M567-E569 PolarHBondContact O-N 3.36Å; M567-N570 CarbonylContact O-C 3.36Å; M567-N570 WeakPolarHBondContact O-CA 3.35Å; M567-N570 PolarHBondContact O-N 2.9Å; M567-E571 PolarHBondContact O-N 3.39Å
568	E	49.5	Very low	52.3	Low	152 Å²	152	122.2 Å²	122.2	71%	0.71	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-57.6	-37.6	-178.5	-75.3	-178.2	153.1	0	0	113.4	S564 N570	S564-E568 PolarHBondContact O-N 3.05Å; E568-N570 VanDerWaalsContact C-N 3.25Å; E568-N570 PolarHBondContact O-N 3.27Å
569	E	48.8	Very low	53.6	Low	147 Å²	147	120.7 Å²	120.7	69%	0.687	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-72.4	-19.8	176.3	-146	-154.3	147.6	0	0	113.6	M567 R572	M567-E569 VanDerWaalsContact C-N 3.33Å; M567-E569 PolarHBondContact O-N 3.36Å; E569-R572 PolarHBondContact O-NH2 3.36Å; E569-R572 VanDerWaalsContact O-NH2 3.16Å; E569-R572 IonicContact OE1-NH2 2.76Å
570	N	50.5	Low	54.9	Low	95 Å²	95	115.7 Å²	115.7	51%	0.508	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-97.3	2.8	-174.7	-84.3	-66.9	0	0	0	114.3	I566 M567 E568 R572 D573	I566-N570 PolarHBondContact O-ND2 3.09Å; M567-N570 CarbonylContact O-C 3.36Å; M567-N570 WeakPolarHBondContact O-CA 3.35Å; M567-N570 PolarHBondContact O-N 2.9Å; E568-N570 VanDerWaalsContact C-N 3.25Å; E568-N570 PolarHBondContact O-N 3.27Å; N570-R572 PolarHBondContact O-N 2.77Å; N570-D573 PolarHBondContact O-N 2.95Å
571	E	45	Very low	56.3	Low	149 Å²	149	119.9 Å²	119.9	70%	0.696	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-5	-176.7	-154.8	177.5	-144.4	0	0	114.5	M567	M567-E571 PolarHBondContact O-N 3.39Å
572	R	54.2	Low	57.5	Low	205 Å²	205	118.7 Å²	118.7	77%	0.774	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-5.9	-176.8	-71.4	175.3	-74.6	174.4	-4.2	116.3	E569 N570	E569-R572 PolarHBondContact O-NH2 3.36Å; E569-R572 VanDerWaalsContact O-NH2 3.16Å; E569-R572 IonicContact OE1-NH2 2.76Å; N570-R572 PolarHBondContact O-N 2.77Å
573	D	46.9	Very low	59.1	Low	47 Å²	47	113 Å²	113	25%	0.251	54%	0.541	S	S	.	.			trans	-148.4	65	-174.3	-151.4	-14.1	0	0	0	115.8	N570 R575 R576 Y588	N570-D573 PolarHBondContact O-N 2.95Å; D573-R575 PolarHBondContact O-N 3.42Å; D573-R576 HydrophobicContact CB-CG 4.4Å; D573-R576 PolarHBondContact O-N 3.29Å; D573-R576 VanDerWaalsContact O-N 3.08Å; D573-R576 IonicContact OD2-CZ 2.69Å; D573-R576 VanDerWaalsContact OD2-CZ 3.23Å; D573-R576 IonicContact OD2-NE 2.89Å; D573-R576 PolarHBondContact OD2-NE 2.91Å; D573-R576 IonicContact OD2-NH2 3.84Å; D573-R576 PolarHBondContact OD2-NH2 3.41Å; D573-Y588 PolarHBondContact OD2-OH 3.47Å
574	H	60.5	Low	60.6	Low	166 Å²	166	110.5 Å²	110.5	77%	0.769	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-8.5	176.4	-83	69.8	0	0	0	116
575	R	57.8	Low	62.1	Low	199 Å²	199	114.3 Å²	114.3	75%	0.751	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-15.5	175	-63.4	-174.8	-170.7	-108	8.1	113.5	D573 K577 Y588	D573-R575 PolarHBondContact O-N 3.42Å; R575-K577 PolarHBondContact O-N 3.38Å; R575-Y588 HydrophobicContact CB-CD1 3.63Å; R575-Y588 HydrophobicContact CB-CE1 3.74Å
576	R	59.5	Low	63.8	Low	99 Å²	99	111.4 Å²	111.4	37%	0.374	53%	0.53	S	S	.	.			trans	-85	86.4	-173.8	-63.8	-177.3	-167.9	-154.2	13.5	112.4	D573 H578 F579 F587 Y588	D573-R576 HydrophobicContact CB-CG 4.4Å; D573-R576 PolarHBondContact O-N 3.29Å; D573-R576 VanDerWaalsContact O-N 3.08Å; D573-R576 IonicContact OD2-CZ 2.69Å; D573-R576 VanDerWaalsContact OD2-CZ 3.23Å; D573-R576 IonicContact OD2-NE 2.89Å; D573-R576 PolarHBondContact OD2-NE 2.91Å; D573-R576 IonicContact OD2-NH2 3.84Å; D573-R576 PolarHBondContact OD2-NH2 3.41Å; R576-H578 PolarHBondContact O-N 2.89Å; R576-F579 WeakPolarHBondContact O-CE2 3.3Å; R576-F579 WeakPolarHBondContact O-CZ 3.43Å; R576-F587 CarbonylContact C-O 3.39Å; R576-Y588 HydrophobicContact CB-CD1 4.49Å; R576-Y588 HydrophobicContact CG-CD1 3.61Å; R576-Y588 HydrophobicContact CG-CE1 3.36Å; R576-Y588 HydrophobicContact CG-CG 4.32Å; R576-Y588 PolarHBondContact NE-OH 3.2Å; R576-Y588 PolarHBondContact NH2-OH 3.26Å; R576-Y588 VanDerWaalsContact NH2-OH 3.16Å
577	K	69.5	Low	65.4	Low	166 Å²	166	107.7 Å²	107.7	72%	0.722	51%	0.509	S	S	*	.			trans	-82.6	-1.1	-175	-61.4	-169.8	177.6	-172.1	0	116	R575 F587	R575-K577 PolarHBondContact O-N 3.38Å; K577-F587 PolarHBondContact N-O 3.44Å
578	H	77.7	Confident	66.9	Low	52 Å²	52	107 Å²	107	24%	0.241	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	109.9	-171.3	-59.9	-56.8	0	0	0	112.4	R576 G586 F587 R590 L593	R576-H578 PolarHBondContact O-N 2.89Å; H578-G586 CarbonylContact O-C 3.47Å; H578-F587 PolarHBondContact N-O 3.33Å; H578-F587 PolarHBondContact O-N 2.89Å; H578-R590 PolarHBondContact CD2-N 3.28Å; H578-L593 HydrophobicContact CB-CB 4.15Å; H578-L593 HydrophobicContact CB-CD2 3.84Å
579	F	81	Confident	68.3	Low	105 Å²	105	104.9 Å²	104.9	46%	0.461	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	152.8	-175.8	-61.6	-89.9	0	0	0	112.6	R576 K585 G586 L593	R576-F579 WeakPolarHBondContact O-CE2 3.3Å; R576-F579 WeakPolarHBondContact O-CZ 3.43Å; F579-K585 WeakPolarHBondContact CA-O 3.5Å; F579-G586 VanDerWaalsContact CD1-CA 3.43Å; F579-L593 WeakPolarHBondContact O-CD1 3.5Å; F579-L593 VanDerWaalsContact O-CD2 3.26Å; F579-L593 WeakPolarHBondContact O-CD2 3.3Å
580	C	81.7	Confident	69.6	Low	2 Å²	2	106.5 Å²	106.5	1%	0.014	49%	0.49	C	S	.	.			trans	-92.8	117.2	173.4	-173.7	0	0	0	0	111.5	L582 C583 G584 K585 F587 L593 H596 Y597 H600	C580-L582 PolarHBondContact O-N 3.35Å; C580-C583 PolarHBondContact O-N 3.45Å; C580-G584 WeakPolarHBondContact O-CA 3.44Å; C580-G584 PolarHBondContact O-N 2.84Å; C580-K585 PolarHBondContact N-O 3.39Å; C580-F587 HydrophobicContact CB-CE2 4.46Å; C580-L593 HydrophobicContact CB-CD1 3.76Å; C580-H596 VanDerWaalsContact SG-CD2 3.59Å; C580-Y597 VanDerWaalsContact SG-CE1 3.54Å; C580-H600 PolarHBondContact SG-NE2 2.91Å; C580-H600 VanDerWaalsContact SG-NE2 3.44Å
581	N	76.1	Confident	70.9	Confident	146 Å²	146	105.3 Å²	105.3	78%	0.781	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.2	-177.1	-60.1	14.9	0	0	0	113.2	Y597	N581-Y597 PolarHBondContact N-OH 3.41Å; N581-Y597 VanDerWaalsContact N-OH 3.12Å
582	L	72.9	Confident	72.5	Confident	116 Å²	116	102.2 Å²	102.2	61%	0.607	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-18.6	-179.7	-60.6	175.6	0	0	0	113.9	C580 Y597 H600	C580-L582 PolarHBondContact O-N 3.35Å; L582-Y597 HydrophobicContact CD1-CD1 4Å; L582-Y597 HydrophobicContact CD1-CE1 3.99Å; L582-Y597 HydrophobicContact CG-CE1 4.14Å; L582-H600 HydrophobicContact CD1-CB 3.61Å
583	C	76.1	Confident	73.9	Confident	54 Å²	54	93.4 Å²	93.4	37%	0.365	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	20.4	-178.5	78.8	0	0	0	0	115.4	C580 K585 H596 H600	C580-C583 PolarHBondContact O-N 3.45Å; C583-K585 PolarHBondContact O-N 3.2Å; C583-H596 PolarHBondContact SG-NE2 3.18Å; C583-H600 VanDerWaalsContact SG-CE1 3.57Å; C583-H600 PolarHBondContact SG-NE2 3.05Å
584	G	75.6	Confident	75.4	Confident	47 Å²	47	100.4 Å²	100.4	49%	0.485	47%	0.465	S	S	.	.			trans	67.6	-8.7	174.6	0	0	0	0	0	117	C580 G586	C580-G584 WeakPolarHBondContact O-CA 3.44Å; C580-G584 PolarHBondContact O-N 2.84Å; G584-G586 PolarHBondContact O-N 2.89Å
585	K	76.1	Confident	76	Confident	131 Å²	131	95.6 Å²	95.6	57%	0.57	44%	0.443	S	S	*	.			trans	-66	122.2	-172.2	-73.2	-179.5	-178.6	178.2	0	111.9	F579 C580 C583 F587	F579-K585 WeakPolarHBondContact CA-O 3.5Å; C580-K585 PolarHBondContact N-O 3.39Å; C583-K585 PolarHBondContact O-N 3.2Å; K585-F587 HydrophobicContact CB-CE2 3.86Å; K585-F587 HydrophobicContact CB-CZ 4.14Å; K585-F587 VanDerWaalsContact O-CD2 3.28Å; K585-F587 WeakPolarHBondContact O-CD2 3.38Å; K585-F587 WeakPolarHBondContact O-CE2 3.4Å
586	G	80.9	Confident	77.2	Confident	10 Å²	10	87.3 Å²	87.3	10%	0.103	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.9	175.8	0	0	0	0	0	113.6	H578 F579 G584	H578-G586 CarbonylContact O-C 3.47Å; F579-G586 VanDerWaalsContact CD1-CA 3.43Å; G584-G586 PolarHBondContact O-N 2.89Å
587	F	83	Confident	78	Confident	45 Å²	45	86 Å²	86	20%	0.197	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.8	-179.3	-62	-89.8	0	0	0	111.1	R576 K577 H578 C580 K585 H592 L593 H596	R576-F587 CarbonylContact C-O 3.39Å; K577-F587 PolarHBondContact N-O 3.44Å; H578-F587 PolarHBondContact N-O 3.33Å; H578-F587 PolarHBondContact O-N 2.89Å; C580-F587 HydrophobicContact CB-CE2 4.46Å; K585-F587 HydrophobicContact CB-CE2 3.86Å; K585-F587 HydrophobicContact CB-CZ 4.14Å; K585-F587 VanDerWaalsContact O-CD2 3.28Å; K585-F587 WeakPolarHBondContact O-CD2 3.38Å; K585-F587 WeakPolarHBondContact O-CE2 3.4Å; F587-H592 HydrophobicContact CB-CB 4.32Å; F587-H592 HydrophobicContact CD1-CB 3.92Å; F587-H592 HydrophobicContact CG-CB 4.41Å; F587-L593 HydrophobicContact CB-CB 4.45Å; F587-L593 HydrophobicContact CD2-CB 4.23Å; F587-L593 HydrophobicContact CD2-CD1 3.98Å; F587-L593 HydrophobicContact CE2-CD1 4.24Å; F587-L593 HydrophobicContact CG-CB 4.49Å; F587-H596 HydrophobicContact CE1-CB 4.06Å; F587-H596 HydrophobicContact CE2-CB 3.92Å; F587-H596 AromaticContact CE2-CD2 3.38Å; F587-H596 WeakPolarHBondContact CE2-CD2 3.23Å; F587-H596 AromaticContact CE2-CG 3.69Å; F587-H596 HydrophobicContact CZ-CB 3.51Å; F587-H596 AromaticContact CZ-CD2 3.46Å; F587-H596 VanDerWaalsContact CZ-CD2 3.46Å; F587-H596 WeakPolarHBondContact CZ-CD2 3.19Å; F587-H596 AromaticContact CZ-CG 3.31Å; F587-H596 AromaticContact CZ-ND1 3.9Å
588	Y	81.2	Confident	78.2	Confident	114 Å²	114	78.7 Å²	78.7	45%	0.447	38%	0.378	S	S	.	.	S	Bend	trans	-75.6	-20.7	179.8	-52.2	-74.1	0	0	0	114.2	D573 R575 R576	D573-Y588 PolarHBondContact OD2-OH 3.47Å; R575-Y588 HydrophobicContact CB-CD1 3.63Å; R575-Y588 HydrophobicContact CB-CE1 3.74Å; R576-Y588 HydrophobicContact CB-CD1 4.49Å; R576-Y588 HydrophobicContact CG-CD1 3.61Å; R576-Y588 HydrophobicContact CG-CE1 3.36Å; R576-Y588 HydrophobicContact CG-CG 4.32Å; R576-Y588 PolarHBondContact NE-OH 3.2Å; R576-Y588 PolarHBondContact NH2-OH 3.26Å; R576-Y588 VanDerWaalsContact NH2-OH 3.16Å
589	Q	79.2	Confident	78	Confident	107 Å²	107	80.1 Å²	80.1	50%	0.5	39%	0.39	S	S	.	.	S	Bend	trans	-142.8	143.8	-175.3	-62.5	-179.5	-7.5	0	0	111.8	C591 H592 L593	Q589-C591 VanDerWaalsContact CB-SG 3.51Å; Q589-C591 PolarHBondContact O-N 3.36Å; Q589-C591 PolarHBondContact OE1-SG 2.89Å; Q589-C591 VanDerWaalsContact OE1-SG 3.33Å; Q589-H592 PolarHBondContact O-N 2.94Å; Q589-H592 VanDerWaalsContact O-N 3.14Å; Q589-H592 PolarHBondContact OE1-CE1 2.87Å; Q589-L593 PolarHBondContact O-N 3.37Å
590	R	76.8	Confident	77.7	Confident	182 Å²	182	78.3 Å²	78.3	69%	0.687	38%	0.383	S	S	*	.	H	α-helix	trans	-63.7	-25.3	-176.6	-164.2	175.8	-179.3	117	-3.4	113.5	H578 R594	H578-R590 PolarHBondContact CD2-N 3.28Å; R590-R594 PolarHBondContact O-N 3.42Å
591	C	77	Confident	77	Confident	70 Å²	70	81.7 Å²	81.7	47%	0.473	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-46.3	172.3	53	0	0	0	0	112.3	Q589 L593 R594 E595	Q589-C591 VanDerWaalsContact CB-SG 3.51Å; Q589-C591 PolarHBondContact O-N 3.36Å; Q589-C591 PolarHBondContact OE1-SG 2.89Å; Q589-C591 VanDerWaalsContact OE1-SG 3.33Å; C591-L593 VanDerWaalsContact C-N 3.33Å; C591-L593 PolarHBondContact O-N 3Å; C591-R594 PolarHBondContact O-N 3.17Å; C591-E595 WeakPolarHBondContact O-CB 3.48Å; C591-E595 PolarHBondContact O-N 2.9Å
592	H	79	Confident	76.4	Confident	84 Å²	84	83 Å²	83	39%	0.389	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-35	176.9	-60.3	133.6	0	0	0	112	F587 Q589 H596	F587-H592 HydrophobicContact CB-CB 4.32Å; F587-H592 HydrophobicContact CD1-CB 3.92Å; F587-H592 HydrophobicContact CG-CB 4.41Å; Q589-H592 PolarHBondContact O-N 2.94Å; Q589-H592 VanDerWaalsContact O-N 3.14Å; Q589-H592 PolarHBondContact OE1-CE1 2.87Å; H592-H596 VanDerWaalsContact O-CB 3.31Å; H592-H596 WeakPolarHBondContact O-CB 3.46Å; H592-H596 PolarHBondContact O-N 2.77Å
593	L	82.6	Confident	75.6	Confident	19 Å²	19	82.6 Å²	82.6	10%	0.099	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-46.4	171.2	175.4	60.7	0	0	0	111.9	H578 F579 C580 F587 Q589 C591 E595 H596 Y597	H578-L593 HydrophobicContact CB-CB 4.15Å; H578-L593 HydrophobicContact CB-CD2 3.84Å; F579-L593 WeakPolarHBondContact O-CD1 3.5Å; F579-L593 VanDerWaalsContact O-CD2 3.26Å; F579-L593 WeakPolarHBondContact O-CD2 3.3Å; C580-L593 HydrophobicContact CB-CD1 3.76Å; F587-L593 HydrophobicContact CB-CB 4.45Å; F587-L593 HydrophobicContact CD2-CB 4.23Å; F587-L593 HydrophobicContact CD2-CD1 3.98Å; F587-L593 HydrophobicContact CE2-CD1 4.24Å; F587-L593 HydrophobicContact CG-CB 4.49Å; Q589-L593 PolarHBondContact O-N 3.37Å; C591-L593 VanDerWaalsContact C-N 3.33Å; C591-L593 PolarHBondContact O-N 3Å; L593-E595 VanDerWaalsContact C-N 3.32Å; L593-E595 PolarHBondContact O-N 3.36Å; L593-H596 PolarHBondContact O-N 3.04Å; L593-Y597 HydrophobicContact CD1-CD2 4.06Å; L593-Y597 HydrophobicContact CD1-CE2 3.54Å; L593-Y597 HydrophobicContact CD2-CE2 4.16Å; L593-Y597 HydrophobicContact CG-CD2 4.11Å; L593-Y597 HydrophobicContact CG-CE2 3.67Å; L593-Y597 VanDerWaalsContact O-CD2 3.24Å; L593-Y597 WeakPolarHBondContact O-CD2 3.5Å; L593-Y597 PolarHBondContact O-N 3.47Å; L593-Y597 VanDerWaalsContact O-N 3.11Å
594	R	78.9	Confident	74.9	Confident	195 Å²	195	85 Å²	85	74%	0.736	40%	0.401	S	S	*	.	H	α-helix	trans	-59	-44.1	176	-179.2	-175.7	-72.9	170.5	-4.4	111.5	R590 C591 Y597	R590-R594 PolarHBondContact O-N 3.42Å; C591-R594 PolarHBondContact O-N 3.17Å; R594-Y597 PolarHBondContact O-N 3.35Å
595	E	74.6	Confident	74.4	Confident	64 Å²	64	88.5 Å²	88.5	30%	0.299	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-43.4	175.8	-172.6	-173.6	-115.9	0	0	111.4	C591 L593 Y597 T598 R617	C591-E595 WeakPolarHBondContact O-CB 3.48Å; C591-E595 PolarHBondContact O-N 2.9Å; L593-E595 VanDerWaalsContact C-N 3.32Å; L593-E595 PolarHBondContact O-N 3.36Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 PolarHBondContact O-N 3.21Å; E595-T598 WeakPolarHBondContact O-CB 3.22Å; E595-T598 PolarHBondContact O-N 3.32Å; E595-T598 VanDerWaalsContact O-N 3.12Å; E595-T598 PolarHBondContact O-OG1 2.85Å; E595-R617 HydrophobicContact CG-CG 4.47Å; E595-R617 WeakPolarHBondContact OE1-CD 3.41Å; E595-R617 WeakPolarHBondContact OE1-CG 3.31Å; E595-R617 IonicContact OE1-CZ 2.86Å; E595-R617 IonicContact OE1-NE 2.79Å; E595-R617 PolarHBondContact OE1-NE 3.09Å; E595-R617 IonicContact OE1-NH2 2.74Å; E595-R617 IonicContact OE2-CZ 2.75Å; E595-R617 IonicContact OE2-NE 3.14Å; E595-R617 PolarHBondContact OE2-NE 3.4Å; E595-R617 IonicContact OE2-NH2 2.64Å; E595-R617 PolarHBondContact OE2-NH2 3.22Å
596	H	82.2	Confident	74.3	Confident	25 Å²	25	85.2 Å²	85.2	12%	0.116	39%	0.391	C	S	.	.	H	α-helix	trans	-62.5	-32.4	178.3	175.7	55.4	0	0	0	113.5	C580 C583 F587 H592 L593 T598 V599 H600	C580-H596 VanDerWaalsContact SG-CD2 3.59Å; C583-H596 PolarHBondContact SG-NE2 3.18Å; F587-H596 HydrophobicContact CE1-CB 4.06Å; F587-H596 HydrophobicContact CE2-CB 3.92Å; F587-H596 AromaticContact CE2-CD2 3.38Å; F587-H596 WeakPolarHBondContact CE2-CD2 3.23Å; F587-H596 AromaticContact CE2-CG 3.69Å; F587-H596 HydrophobicContact CZ-CB 3.51Å; F587-H596 AromaticContact CZ-CD2 3.46Å; F587-H596 VanDerWaalsContact CZ-CD2 3.46Å; F587-H596 WeakPolarHBondContact CZ-CD2 3.19Å; F587-H596 AromaticContact CZ-CG 3.31Å; F587-H596 AromaticContact CZ-ND1 3.9Å; H592-H596 VanDerWaalsContact O-CB 3.31Å; H592-H596 WeakPolarHBondContact O-CB 3.46Å; H592-H596 PolarHBondContact O-N 2.77Å; L593-H596 PolarHBondContact O-N 3.04Å; H596-T598 PolarHBondContact O-N 3.17Å; H596-V599 VanDerWaalsContact O-CB 3.29Å; H596-V599 WeakPolarHBondContact O-CB 3.43Å; H596-V599 WeakPolarHBondContact O-CG2 3.21Å; H596-V599 PolarHBondContact O-N 3.26Å; H596-H600 AromaticContact CD2-NE2 3.86Å; H596-H600 AromaticContact CE1-NE2 3.4Å; H596-H600 PolarHBondContact CE1-NE2 3.37Å; H596-H600 AromaticContact NE2-CD2 3.85Å; H596-H600 AromaticContact NE2-NE2 3.04Å; H596-H600 PolarHBondContact NE2-NE2 3.19Å
597	Y	76.1	Confident	74.3	Confident	71 Å²	71	88.1 Å²	88.1	28%	0.278	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-28.4	174.5	-82.3	-67.8	0	0	0	113.4	C580 N581 L582 L593 R594 E595 V599 H600 T601	C580-Y597 VanDerWaalsContact SG-CE1 3.54Å; N581-Y597 PolarHBondContact N-OH 3.41Å; N581-Y597 VanDerWaalsContact N-OH 3.12Å; L582-Y597 HydrophobicContact CD1-CD1 4Å; L582-Y597 HydrophobicContact CD1-CE1 3.99Å; L582-Y597 HydrophobicContact CG-CE1 4.14Å; L593-Y597 HydrophobicContact CD1-CD2 4.06Å; L593-Y597 HydrophobicContact CD1-CE2 3.54Å; L593-Y597 HydrophobicContact CD2-CE2 4.16Å; L593-Y597 HydrophobicContact CG-CD2 4.11Å; L593-Y597 HydrophobicContact CG-CE2 3.67Å; L593-Y597 VanDerWaalsContact O-CD2 3.24Å; L593-Y597 WeakPolarHBondContact O-CD2 3.5Å; L593-Y597 PolarHBondContact O-N 3.47Å; L593-Y597 VanDerWaalsContact O-N 3.11Å; R594-Y597 PolarHBondContact O-N 3.35Å; E595-Y597 VanDerWaalsContact C-N 3.3Å; E595-Y597 PolarHBondContact O-N 3.21Å; Y597-V599 PolarHBondContact O-N 3.08Å; Y597-H600 PolarHBondContact O-N 3.48Å; Y597-T601 PolarHBondContact O-N 2.93Å; Y597-T601 VanDerWaalsContact O-N 3.14Å
598	T	74.7	Confident	74.5	Confident	14 Å²	14	86 Å²	86	9%	0.086	40%	0.397	C	S	.	.	H	α-helix	trans	-64.5	-21.6	174.9	70.3	0	0	0	0	113.4	E595 H596 H600 K602	E595-T598 WeakPolarHBondContact O-CB 3.22Å; E595-T598 PolarHBondContact O-N 3.32Å; E595-T598 VanDerWaalsContact O-N 3.12Å; E595-T598 PolarHBondContact O-OG1 2.85Å; H596-T598 PolarHBondContact O-N 3.17Å; T598-H600 VanDerWaalsContact C-N 3.34Å; T598-K602 WeakPolarHBondContact O-CA 3.45Å; T598-K602 PolarHBondContact O-N 3.19Å
599	V	73.1	Confident	74.4	Confident	82 Å²	82	90 Å²	90	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-71.4	-33.2	174.9	-174.8	0	0	0	0	110.7	H596 Y597	H596-V599 VanDerWaalsContact O-CB 3.29Å; H596-V599 WeakPolarHBondContact O-CB 3.43Å; H596-V599 WeakPolarHBondContact O-CG2 3.21Å; H596-V599 PolarHBondContact O-N 3.26Å; Y597-V599 PolarHBondContact O-N 3.08Å
600	H	74.2	Confident	74.4	Confident	66 Å²	66	89.6 Å²	89.6	31%	0.306	43%	0.425	S	S	.	.	H	α-helix	trans	-81.2	-43	179.4	-64	-64.7	0	0	0	112.2	C580 L582 C583 H596 Y597 T598 K602	C580-H600 PolarHBondContact SG-NE2 2.91Å; C580-H600 VanDerWaalsContact SG-NE2 3.44Å; L582-H600 HydrophobicContact CD1-CB 3.61Å; C583-H600 VanDerWaalsContact SG-CE1 3.57Å; C583-H600 PolarHBondContact SG-NE2 3.05Å; H596-H600 AromaticContact CD2-NE2 3.86Å; H596-H600 AromaticContact CE1-NE2 3.4Å; H596-H600 PolarHBondContact CE1-NE2 3.37Å; H596-H600 AromaticContact NE2-CD2 3.85Å; H596-H600 AromaticContact NE2-NE2 3.04Å; H596-H600 PolarHBondContact NE2-NE2 3.19Å; Y597-H600 PolarHBondContact O-N 3.48Å; T598-H600 VanDerWaalsContact C-N 3.34Å; H600-K602 PolarHBondContact O-N 3.31Å
601	T	65.9	Low	74.8	Confident	74 Å²	74	83.5 Å²	83.5	45%	0.454	41%	0.41	S	S	.	.	H	α-helix	trans	-73.5	-18.1	175.6	67.4	0	0	0	0	112.8	Y597 E603	Y597-T601 PolarHBondContact O-N 2.93Å; Y597-T601 VanDerWaalsContact O-N 3.14Å; T601-E603 VanDerWaalsContact CB-OE2 3.24Å; T601-E603 WeakPolarHBondContact CB-OE2 3.45Å; T601-E603 PolarHBondContact O-N 3.04Å; T601-E603 VanDerWaalsContact O-N 3.14Å; T601-E603 WeakPolarHBondContact OG1-CB 3.34Å; T601-E603 WeakPolarHBondContact OG1-CG 3.49Å; T601-E603 PolarHBondContact OG1-N 3.28Å; T601-E603 PolarHBondContact OG1-OE2 3.43Å
602	K	63.7	Low	75	Confident	172 Å²	172	82.5 Å²	82.5	75%	0.748	41%	0.411	S	S	*	.			trans	60.4	9.8	-172.8	-56.9	176.4	-179	172.6	0	114.1	T598 H600 K604	T598-K602 WeakPolarHBondContact O-CA 3.45Å; T598-K602 PolarHBondContact O-N 3.19Å; H600-K602 PolarHBondContact O-N 3.31Å; K602-K604 PolarHBondContact O-N 3.14Å; K602-K604 VanDerWaalsContact O-N 3.11Å
603	E	56.7	Low	75	Confident	109 Å²	109	84.6 Å²	84.6	51%	0.509	42%	0.419	S	S	.	.			trans	-72.1	102.7	-178.1	-66.6	166.9	140.2	0	0	110.9	T601 Q605	T601-E603 VanDerWaalsContact CB-OE2 3.24Å; T601-E603 WeakPolarHBondContact CB-OE2 3.45Å; T601-E603 PolarHBondContact O-N 3.04Å; T601-E603 VanDerWaalsContact O-N 3.14Å; T601-E603 WeakPolarHBondContact OG1-CB 3.34Å; T601-E603 WeakPolarHBondContact OG1-CG 3.49Å; T601-E603 PolarHBondContact OG1-N 3.28Å; T601-E603 PolarHBondContact OG1-OE2 3.43Å; E603-Q605 HydrophobicContact CB-CG 4.42Å; E603-Q605 PolarHBondContact O-N 3.02Å
604	K	60.8	Low	75	Confident	104 Å²	104	88.9 Å²	88.9	45%	0.452	44%	0.439	S	S	.	.			trans	-81.6	82.9	175	-63.7	179.8	177.5	-177.8	0	110.7	K602 F606 Q614 F615 L616	K602-K604 PolarHBondContact O-N 3.14Å; K602-K604 VanDerWaalsContact O-N 3.11Å; K604-F606 PolarHBondContact O-N 3.38Å; K604-F606 VanDerWaalsContact O-N 3.15Å; K604-Q614 HydrophobicContact CB-CB 3.58Å; K604-Q614 HydrophobicContact CD-CB 3.68Å; K604-Q614 HydrophobicContact CG-CB 4.32Å; K604-F615 CarbonylContact C-O 3.58Å; K604-L616 HydrophobicContact CG-CD2 3.89Å; K604-L616 HydrophobicContact CG-CG 4.28Å
605	Q	66.2	Low	75.1	Confident	120 Å²	120	81.5 Å²	81.5	56%	0.561	41%	0.412	S	S	*	.			trans	-63.5	-17.7	-171.7	-65.9	174.3	-2.1	0	0	115.1	E603	E603-Q605 HydrophobicContact CB-CG 4.42Å; E603-Q605 PolarHBondContact O-N 3.02Å
606	F	74.1	Confident	75.2	Confident	63 Å²	63	81.1 Å²	81.1	28%	0.276	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	102.7	-171.6	-61.2	-78.5	0	0	0	112.3	K604 Q614 F615 E618 L621	K604-F606 PolarHBondContact O-N 3.38Å; K604-F606 VanDerWaalsContact O-N 3.15Å; F606-Q614 CarbonylContact O-C 3.57Å; F606-F615 HydrophobicContact CB-CB 4.3Å; F606-F615 PolarHBondContact N-O 3.41Å; F606-F615 VanDerWaalsContact N-O 3.12Å; F606-F615 PolarHBondContact O-N 3.05Å; F606-E618 HydrophobicContact CD1-CB 3.96Å; F606-E618 HydrophobicContact CD1-CG 3.94Å; F606-E618 HydrophobicContact CE1-CB 3.68Å; F606-E618 HydrophobicContact CE1-CG 3.73Å; F606-E618 HydrophobicContact CE2-CB 4.37Å; F606-E618 HydrophobicContact CG-CB 4.43Å; F606-E618 HydrophobicContact CZ-CB 3.91Å; F606-E618 HydrophobicContact CZ-CG 4.42Å; F606-L621 HydrophobicContact CB-CB 4.1Å; F606-L621 HydrophobicContact CB-CD2 3.88Å
607	V	79.7	Confident	74.9	Confident	70 Å²	70	85.3 Å²	85.3	42%	0.424	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.8	-177.6	-166.1	0	0	0	0	111.8	Q609 Q614	V607-Q609 PolarHBondContact O-N 2.89Å; V607-Q614 HydrophobicContact CG1-CG 4.2Å; V607-Q614 HydrophobicContact CG2-CG 4.08Å
608	C	86.9	Confident	75.1	Confident	0 Å²	0	86.1 Å²	86.1	0%	0	43%	0.433	C	S	.	.			trans	-76.5	114.6	170.2	-179.7	0	0	0	0	110.7	T610 C611 G612 K613 F615 L621 N625	C608-T610 PolarHBondContact O-N 3.33Å; C608-C611 PolarHBondContact O-N 2.97Å; C608-G612 VanDerWaalsContact O-CA 3.31Å; C608-G612 WeakPolarHBondContact O-CA 3.31Å; C608-G612 PolarHBondContact O-N 3.15Å; C608-K613 WeakPolarHBondContact CB-O 3.48Å; C608-K613 PolarHBondContact N-O 3.12Å; C608-F615 HydrophobicContact CB-CE2 4.19Å; C608-L621 HydrophobicContact CB-CD1 3.69Å; C608-N625 PolarHBondContact SG-OD1 3.12Å
609	Q	81.1	Confident	75.5	Confident	198 Å²	198	94.9 Å²	94.9	93%	0.925	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.1	177.8	-65.8	178	-6.3	0	0	112.6	V607	V607-Q609 PolarHBondContact O-N 2.89Å
610	T	78.9	Confident	76	Confident	99 Å²	99	94.6 Å²	94.6	61%	0.607	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-26	-178.1	-39.7	0	0	0	0	114	C608 H628	C608-T610 PolarHBondContact O-N 3.33Å; T610-H628 HydrophobicContact CG2-CB 4.44Å
611	C	84.6	Confident	76.6	Confident	55 Å²	55	92.6 Å²	92.6	37%	0.372	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.9	14.6	-175.5	71.8	0	0	0	0	115.8	C608 K613 H624 H628	C608-C611 PolarHBondContact O-N 2.97Å; C611-K613 PolarHBondContact O-N 3.5Å; C611-H624 PolarHBondContact SG-NE2 3.35Å; C611-H628 PolarHBondContact SG-NE2 2.98Å; C611-H628 VanDerWaalsContact SG-NE2 3.43Å
612	G	80.8	Confident	77.5	Confident	49 Å²	49	95.8 Å²	95.8	51%	0.505	45%	0.453	S	S	.	.			trans	68.8	-5.9	177.6	0	0	0	0	0	116.2	C608 Q614	C608-G612 VanDerWaalsContact O-CA 3.31Å; C608-G612 WeakPolarHBondContact O-CA 3.31Å; C608-G612 PolarHBondContact O-N 3.15Å; G612-Q614 PolarHBondContact O-N 3.01Å
613	K	80.4	Confident	78.5	Confident	128 Å²	128	92.9 Å²	92.9	56%	0.557	45%	0.445	S	S	*	.			trans	-63.9	128	-177.4	-72.8	-178	-179.7	178.5	0	111.4	C608 C611 F615	C608-K613 WeakPolarHBondContact CB-O 3.48Å; C608-K613 PolarHBondContact N-O 3.12Å; C611-K613 PolarHBondContact O-N 3.5Å; K613-F615 HydrophobicContact CB-CE2 3.81Å; K613-F615 HydrophobicContact CB-CZ 3.95Å; K613-F615 WeakPolarHBondContact O-CD2 3.48Å; K613-F615 VanDerWaalsContact O-CE2 3.26Å; K613-F615 WeakPolarHBondContact O-CE2 3.4Å
614	Q	81.7	Confident	80	Confident	108 Å²	108	88.9 Å²	88.9	51%	0.505	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.3	-177.3	-51.2	-179.4	-19.4	0	0	111.5	K604 F606 V607 G612	K604-Q614 HydrophobicContact CB-CB 3.58Å; K604-Q614 HydrophobicContact CD-CB 3.68Å; K604-Q614 HydrophobicContact CG-CB 4.32Å; F606-Q614 CarbonylContact O-C 3.57Å; V607-Q614 HydrophobicContact CG1-CG 4.2Å; V607-Q614 HydrophobicContact CG2-CG 4.08Å; G612-Q614 PolarHBondContact O-N 3.01Å
615	F	81.2	Confident	81.2	Confident	41 Å²	41	86.2 Å²	86.2	18%	0.18	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.6	-176.1	-59.5	-86.8	0	0	0	111.4	K604 F606 C608 K613 Q620 L621 H624	K604-F615 CarbonylContact C-O 3.58Å; F606-F615 HydrophobicContact CB-CB 4.3Å; F606-F615 PolarHBondContact N-O 3.41Å; F606-F615 VanDerWaalsContact N-O 3.12Å; F606-F615 PolarHBondContact O-N 3.05Å; C608-F615 HydrophobicContact CB-CE2 4.19Å; K613-F615 HydrophobicContact CB-CE2 3.81Å; K613-F615 HydrophobicContact CB-CZ 3.95Å; K613-F615 WeakPolarHBondContact O-CD2 3.48Å; K613-F615 VanDerWaalsContact O-CE2 3.26Å; K613-F615 WeakPolarHBondContact O-CE2 3.4Å; F615-Q620 HydrophobicContact CB-CB 4.17Å; F615-Q620 HydrophobicContact CD1-CB 3.81Å; F615-Q620 HydrophobicContact CG-CB 4.22Å; F615-L621 HydrophobicContact CD2-CB 4.19Å; F615-L621 HydrophobicContact CD2-CD1 4.11Å; F615-L621 HydrophobicContact CE2-CD1 4.32Å; F615-H624 HydrophobicContact CE1-CB 4.24Å; F615-H624 HydrophobicContact CE2-CB 4.08Å; F615-H624 AromaticContact CE2-CD2 3.4Å; F615-H624 WeakPolarHBondContact CE2-CD2 3.46Å; F615-H624 AromaticContact CE2-CG 3.82Å; F615-H624 HydrophobicContact CZ-CB 3.67Å; F615-H624 AromaticContact CZ-CD2 3.39Å; F615-H624 WeakPolarHBondContact CZ-CD2 3.37Å; F615-H624 AromaticContact CZ-CG 3.38Å
616	L	75.5	Confident	82.1	Confident	55 Å²	55	84.2 Å²	84.2	29%	0.288	41%	0.41	S	S	.	.	S	Bend	trans	-84.7	-22.1	175.4	-66.1	168.3	0	0	0	112.3	K604	K604-L616 HydrophobicContact CG-CD2 3.89Å; K604-L616 HydrophobicContact CG-CG 4.28Å
617	R	77.2	Confident	82.3	Confident	113 Å²	113	86.6 Å²	86.6	43%	0.426	42%	0.423	S	S	.	.			trans	-125	134.8	-175.4	-60.2	175.9	157.6	143.7	-2.5	111.9	E595 R619 Q620 L621	E595-R617 HydrophobicContact CG-CG 4.47Å; E595-R617 WeakPolarHBondContact OE1-CD 3.41Å; E595-R617 WeakPolarHBondContact OE1-CG 3.31Å; E595-R617 IonicContact OE1-CZ 2.86Å; E595-R617 IonicContact OE1-NE 2.79Å; E595-R617 PolarHBondContact OE1-NE 3.09Å; E595-R617 IonicContact OE1-NH2 2.74Å; E595-R617 IonicContact OE2-CZ 2.75Å; E595-R617 IonicContact OE2-NE 3.14Å; E595-R617 PolarHBondContact OE2-NE 3.4Å; E595-R617 IonicContact OE2-NH2 2.64Å; E595-R617 PolarHBondContact OE2-NH2 3.22Å; R617-R619 VanDerWaalsContact C-N 3.26Å; R617-R619 PolarHBondContact O-N 3.36Å; R617-Q620 HydrophobicContact CB-CB 4.25Å; R617-Q620 HydrophobicContact CB-CG 3.92Å; R617-Q620 WeakPolarHBondContact O-CB 3.32Å; R617-Q620 PolarHBondContact O-N 3.05Å; R617-L621 PolarHBondContact O-N 3.16Å; R617-L621 VanDerWaalsContact O-N 3.16Å
618	E	80.6	Confident	82.2	Confident	89 Å²	89	86 Å²	86	42%	0.416	42%	0.416	S	S	.	.	H	α-helix	trans	-56.4	-39	173.6	-157	-132.5	136.1	0	0	112.3	F606 Q620 L621 R622	F606-E618 HydrophobicContact CD1-CB 3.96Å; F606-E618 HydrophobicContact CD1-CG 3.94Å; F606-E618 HydrophobicContact CE1-CB 3.68Å; F606-E618 HydrophobicContact CE1-CG 3.73Å; F606-E618 HydrophobicContact CE2-CB 4.37Å; F606-E618 HydrophobicContact CG-CB 4.43Å; F606-E618 HydrophobicContact CZ-CB 3.91Å; F606-E618 HydrophobicContact CZ-CG 4.42Å; E618-Q620 VanDerWaalsContact C-N 3.3Å; E618-Q620 PolarHBondContact O-N 3.31Å; E618-L621 WeakPolarHBondContact O-CB 3.41Å; E618-L621 PolarHBondContact O-N 3.48Å; E618-R622 PolarHBondContact O-N 2.96Å; E618-R622 IonicContact OE1-CZ 2.76Å; E618-R622 IonicContact OE1-NE 3.23Å; E618-R622 PolarHBondContact OE1-NE 2.79Å; E618-R622 IonicContact OE1-NH2 2.81Å; E618-R622 PolarHBondContact OE1-NH2 3.1Å; E618-R622 IonicContact OE2-CZ 2.84Å; E618-R622 IonicContact OE2-NE 2.65Å; E618-R622 IonicContact OE2-NH2 2.74Å; E618-R622 PolarHBondContact OE2-NH2 2.8Å
619	R	82.4	Confident	81.5	Confident	197 Å²	197	92.8 Å²	92.8	74%	0.743	45%	0.445	S	S	*	.	H	α-helix	trans	-60.3	-36.6	174.6	-171.6	-171.6	-68.5	-172.1	-0.3	112.7	R617 R622 L623	R617-R619 VanDerWaalsContact C-N 3.26Å; R617-R619 PolarHBondContact O-N 3.36Å; R619-R622 PolarHBondContact O-N 2.96Å; R619-L623 HydrophobicContact CG-CD1 4.33Å; R619-L623 WeakPolarHBondContact O-CG 3.47Å; R619-L623 PolarHBondContact O-N 3.22Å; R619-L623 VanDerWaalsContact O-N 3.08Å
620	Q	82.5	Confident	80.4	Confident	76 Å²	76	86 Å²	86	36%	0.355	43%	0.428	S	S	.	.	H	α-helix	trans	-69.2	-40.9	176.7	-69.4	169	-31	0	0	110.5	F615 R617 E618 H624	F615-Q620 HydrophobicContact CB-CB 4.17Å; F615-Q620 HydrophobicContact CD1-CB 3.81Å; F615-Q620 HydrophobicContact CG-CB 4.22Å; R617-Q620 HydrophobicContact CB-CB 4.25Å; R617-Q620 HydrophobicContact CB-CG 3.92Å; R617-Q620 WeakPolarHBondContact O-CB 3.32Å; R617-Q620 PolarHBondContact O-N 3.05Å; E618-Q620 VanDerWaalsContact C-N 3.3Å; E618-Q620 PolarHBondContact O-N 3.31Å; Q620-H624 VanDerWaalsContact O-CB 3.24Å; Q620-H624 WeakPolarHBondContact O-CB 3.42Å; Q620-H624 PolarHBondContact O-N 3.42Å
621	L	86.9	Confident	79.1	Confident	24 Å²	24	87.5 Å²	87.5	13%	0.126	43%	0.43	C	S	.	.	H	α-helix	trans	-61.9	-43.1	173	174.8	60.4	0	0	0	111.9	F606 C608 F615 R617 E618 H624 N625	F606-L621 HydrophobicContact CB-CB 4.1Å; F606-L621 HydrophobicContact CB-CD2 3.88Å; C608-L621 HydrophobicContact CB-CD1 3.69Å; F615-L621 HydrophobicContact CD2-CB 4.19Å; F615-L621 HydrophobicContact CD2-CD1 4.11Å; F615-L621 HydrophobicContact CE2-CD1 4.32Å; R617-L621 PolarHBondContact O-N 3.16Å; R617-L621 VanDerWaalsContact O-N 3.16Å; E618-L621 WeakPolarHBondContact O-CB 3.41Å; E618-L621 PolarHBondContact O-N 3.48Å; L621-H624 PolarHBondContact O-N 3.49Å; L621-N625 WeakPolarHBondContact CD1-OD1 3.5Å; L621-N625 WeakPolarHBondContact O-CB 3.4Å; L621-N625 PolarHBondContact O-N 2.88Å; L621-N625 PolarHBondContact O-ND2 3.37Å; L621-N625 PolarHBondContact O-OD1 3.05Å
622	R	85.4	Confident	77.4	Confident	142 Å²	142	89 Å²	89	54%	0.536	45%	0.447	S	S	.	.	H	α-helix	trans	-59.2	-55.7	175.6	-67.2	-169	-150.7	164.5	8.3	111.7	E618 R619 H624 N625 D626	E618-R622 PolarHBondContact O-N 2.96Å; E618-R622 IonicContact OE1-CZ 2.76Å; E618-R622 IonicContact OE1-NE 3.23Å; E618-R622 PolarHBondContact OE1-NE 2.79Å; E618-R622 IonicContact OE1-NH2 2.81Å; E618-R622 PolarHBondContact OE1-NH2 3.1Å; E618-R622 IonicContact OE2-CZ 2.84Å; E618-R622 IonicContact OE2-NE 2.65Å; E618-R622 IonicContact OE2-NH2 2.74Å; E618-R622 PolarHBondContact OE2-NH2 2.8Å; R619-R622 PolarHBondContact O-N 2.96Å; R622-H624 PolarHBondContact O-N 2.8Å; R622-N625 CarbonylContact O-C 3.6Å; R622-N625 WeakPolarHBondContact O-CA 3.31Å; R622-N625 WeakPolarHBondContact O-CB 3.35Å; R622-N625 PolarHBondContact O-N 3.12Å; R622-D626 VanDerWaalsContact O-CG 3.27Å; R622-D626 PolarHBondContact O-N 3.46Å
623	L	85.4	Confident	75.7	Confident	111 Å²	111	92.3 Å²	92.3	58%	0.581	46%	0.462	S	S	*	.	H	α-helix	trans	-55.5	-38.6	178.3	-71.2	170.1	0	0	0	112.1	R619 D626 M627	R619-L623 HydrophobicContact CG-CD1 4.33Å; R619-L623 WeakPolarHBondContact O-CG 3.47Å; R619-L623 PolarHBondContact O-N 3.22Å; R619-L623 VanDerWaalsContact O-N 3.08Å; L623-D626 PolarHBondContact O-N 2.76Å; L623-M627 WeakPolarHBondContact O-CG 3.34Å; L623-M627 PolarHBondContact O-N 3.32Å
624	H	87.9	Confident	74	Confident	25 Å²	25	88.5 Å²	88.5	12%	0.116	46%	0.459	C	S	.	.	H	α-helix	trans	-69.3	-39.9	175.7	-179.8	57.9	0	0	0	113.3	C611 F615 Q620 L621 R622 D626 M627 H628	C611-H624 PolarHBondContact SG-NE2 3.35Å; F615-H624 HydrophobicContact CE1-CB 4.24Å; F615-H624 HydrophobicContact CE2-CB 4.08Å; F615-H624 AromaticContact CE2-CD2 3.4Å; F615-H624 WeakPolarHBondContact CE2-CD2 3.46Å; F615-H624 AromaticContact CE2-CG 3.82Å; F615-H624 HydrophobicContact CZ-CB 3.67Å; F615-H624 AromaticContact CZ-CD2 3.39Å; F615-H624 WeakPolarHBondContact CZ-CD2 3.37Å; F615-H624 AromaticContact CZ-CG 3.38Å; Q620-H624 VanDerWaalsContact O-CB 3.24Å; Q620-H624 WeakPolarHBondContact O-CB 3.42Å; Q620-H624 PolarHBondContact O-N 3.42Å; L621-H624 PolarHBondContact O-N 3.49Å; R622-H624 PolarHBondContact O-N 2.8Å; H624-D626 VanDerWaalsContact C-N 3.26Å; H624-D626 PolarHBondContact O-N 3.07Å; H624-M627 WeakPolarHBondContact O-CB 3.48Å; H624-M627 PolarHBondContact O-N 3.33Å; H624-H628 AromaticContact CD2-NE2 3.72Å; H624-H628 AromaticContact CE1-NE2 3.33Å; H624-H628 PolarHBondContact CE1-NE2 2.93Å; H624-H628 VanDerWaalsContact CE1-NE2 3.33Å; H624-H628 AromaticContact NE2-CD2 3.76Å; H624-H628 AromaticContact NE2-NE2 3Å; H624-H628 PolarHBondContact NE2-NE2 2.92Å; H624-H628 PolarHBondContact O-CD2 2.93Å; H624-H628 PolarHBondContact O-N 2.94Å
625	N	85.9	Confident	72.4	Confident	48 Å²	48	93 Å²	93	26%	0.257	48%	0.481	S	S	.	.	H	α-helix	trans	-65.5	-31.4	172.7	-69.7	-12	0	0	0	111.9	C608 L621 R622 H628 K629	C608-N625 PolarHBondContact SG-OD1 3.12Å; L621-N625 WeakPolarHBondContact CD1-OD1 3.5Å; L621-N625 WeakPolarHBondContact O-CB 3.4Å; L621-N625 PolarHBondContact O-N 2.88Å; L621-N625 PolarHBondContact O-ND2 3.37Å; L621-N625 PolarHBondContact O-OD1 3.05Å; R622-N625 CarbonylContact O-C 3.6Å; R622-N625 WeakPolarHBondContact O-CA 3.31Å; R622-N625 WeakPolarHBondContact O-CB 3.35Å; R622-N625 PolarHBondContact O-N 3.12Å; N625-H628 WeakPolarHBondContact O-CB 3.31Å; N625-H628 PolarHBondContact O-N 3.03Å; N625-K629 WeakPolarHBondContact O-CG 3.43Å; N625-K629 PolarHBondContact O-N 2.65Å; N625-K629 VanDerWaalsContact O-N 3.14Å
626	D	84.8	Confident	70.7	Confident	78 Å²	78	98.8 Å²	98.8	42%	0.417	51%	0.511	S	S	.	.	H	α-helix	trans	-75.8	-25	175.1	-61	-35.2	0	0	0	112	R622 L623 H624 K629 G630	R622-D626 VanDerWaalsContact O-CG 3.27Å; R622-D626 PolarHBondContact O-N 3.46Å; L623-D626 PolarHBondContact O-N 2.76Å; H624-D626 VanDerWaalsContact C-N 3.26Å; H624-D626 PolarHBondContact O-N 3.07Å; D626-K629 PolarHBondContact O-N 3.33Å; D626-K629 IonicContact OD1-NZ 2.92Å; D626-K629 PolarHBondContact OD1-NZ 2.9Å; D626-G630 PolarHBondContact O-N 3.28Å
627	M	78.3	Confident	69	Low	113 Å²	113	98.9 Å²	98.9	56%	0.557	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-42	164.5	-65.9	178	73.2	0	0	112.1	L623 H624 K629 G630 M631	L623-M627 WeakPolarHBondContact O-CG 3.34Å; L623-M627 PolarHBondContact O-N 3.32Å; H624-M627 WeakPolarHBondContact O-CB 3.48Å; H624-M627 PolarHBondContact O-N 3.33Å; M627-K629 VanDerWaalsContact C-N 3.32Å; M627-K629 PolarHBondContact O-N 3.5Å; M627-G630 PolarHBondContact O-N 2.98Å; M627-M631 WeakPolarHBondContact O-CG 3.43Å; M627-M631 PolarHBondContact O-N 3.42Å; M627-M631 VanDerWaalsContact O-N 3.17Å
628	H	78.6	Confident	67.4	Low	58 Å²	58	99.8 Å²	99.8	27%	0.269	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-40.6	175	-71.3	-70.9	0	0	0	111.7	T610 C611 H624 N625	T610-H628 HydrophobicContact CG2-CB 4.44Å; C611-H628 PolarHBondContact SG-NE2 2.98Å; C611-H628 VanDerWaalsContact SG-NE2 3.43Å; H624-H628 AromaticContact CD2-NE2 3.72Å; H624-H628 AromaticContact CE1-NE2 3.33Å; H624-H628 PolarHBondContact CE1-NE2 2.93Å; H624-H628 VanDerWaalsContact CE1-NE2 3.33Å; H624-H628 AromaticContact NE2-CD2 3.76Å; H624-H628 AromaticContact NE2-NE2 3Å; H624-H628 PolarHBondContact NE2-NE2 2.92Å; H624-H628 PolarHBondContact O-CD2 2.93Å; H624-H628 PolarHBondContact O-N 2.94Å; N625-H628 WeakPolarHBondContact O-CB 3.31Å; N625-H628 PolarHBondContact O-N 3.03Å
629	K	70.5	Confident	65.4	Low	141 Å²	141	101 Å²	101	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-68.5	-38.4	173.6	-64.1	172.5	-164.3	157.1	0	112.6	N625 D626 M627 M631 A632	N625-K629 WeakPolarHBondContact O-CG 3.43Å; N625-K629 PolarHBondContact O-N 2.65Å; N625-K629 VanDerWaalsContact O-N 3.14Å; D626-K629 PolarHBondContact O-N 3.33Å; D626-K629 IonicContact OD1-NZ 2.92Å; D626-K629 PolarHBondContact OD1-NZ 2.9Å; M627-K629 VanDerWaalsContact C-N 3.32Å; M627-K629 PolarHBondContact O-N 3.5Å; K629-M631 PolarHBondContact O-N 3.09Å; K629-A632 VanDerWaalsContact O-CB 3.27Å; K629-A632 WeakPolarHBondContact O-CB 3.45Å; K629-A632 PolarHBondContact O-N 2.95Å
630	G	57.9	Low	63.2	Low	55 Å²	55	100.4 Å²	100.4	57%	0.567	57%	0.567	S	S	*	*	H	α-helix	trans	-65.7	-19.7	179.4	0	0	0	0	0	114.2	D626 M627	D626-G630 PolarHBondContact O-N 3.28Å; M627-G630 PolarHBondContact O-N 2.98Å
631	M	52	Low	61.5	Low	131 Å²	131	102.5 Å²	102.5	65%	0.645	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-10	172.9	-68.6	177	-179.7	0	0	113.5	M627 K629 S633 G634	M627-M631 WeakPolarHBondContact O-CG 3.43Å; M627-M631 PolarHBondContact O-N 3.42Å; M627-M631 VanDerWaalsContact O-N 3.17Å; K629-M631 PolarHBondContact O-N 3.09Å; M631-S633 PolarHBondContact O-N 3.29Å; M631-G634 PolarHBondContact O-N 3.45Å; M631-G634 VanDerWaalsContact O-N 3.15Å
632	A	50.1	Low	59.6	Low	88 Å²	88	108.1 Å²	108.1	73%	0.727	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	20	-177.9	0	0	0	0	0	114.8	K629	K629-A632 VanDerWaalsContact O-CB 3.27Å; K629-A632 WeakPolarHBondContact O-CB 3.45Å; K629-A632 PolarHBondContact O-N 2.95Å
633	S	44.4	Very low	57.3	Low	117 Å²	117	109.9 Å²	109.9	82%	0.818	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	-0.4	168.7	57.4	0	0	0	0	113.2	M631	M631-S633 PolarHBondContact O-N 3.29Å
634	G	45.1	Very low	55.4	Low	49 Å²	49	117.9 Å²	117.9	51%	0.505	67%	0.667	S	S	.	*	S	Bend	trans	-101.1	124.8	163.4	0	0	0	0	0	110.1	M631 I636	M631-G634 PolarHBondContact O-N 3.45Å; M631-G634 VanDerWaalsContact O-N 3.15Å; G634-I636 PolarHBondContact O-N 3.28Å
635	E	48.5	Very low	53.8	Low	203 Å²	203	122.6 Å²	122.6	95%	0.949	70%	0.695	S	S	*	*			trans	-66.5	119.6	-179.7	-63.1	-175.3	147.3	0	0	111.6
636	I	44.8	Very low	52.1	Low	161 Å²	161	126.5 Å²	126.5	83%	0.826	72%	0.718	S	S	*	*			trans	-127.4	109.7	161.1	-58.5	-177.9	0	0	0	107	G634	G634-I636 PolarHBondContact O-N 3.28Å
637	G	38.6	Very low	50.3	Low	57 Å²	57	129.2 Å²	129.2	59%	0.588	73%	0.734	S	S	*	*			trans	-67.7	163.3	-179	0	0	0	0	0	113.2	S639	G637-S639 PolarHBondContact O-N 3.05Å
638	P	44.3	Very low	48.7	Very low	133 Å²	133	130.1 Å²	130.1	86%	0.864	75%	0.745	S	S	*	*			trans	-68.9	104.6	-173.7	27.8	-35	0	0	0	112.2	K640	P638-K640 PolarHBondContact O-N 3.41Å
639	S	37.9	Very low	46.8	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.8	162.5	42.7	0	0	0	0	109.4	G637	G637-S639 PolarHBondContact O-N 3.05Å
640	K	37.7	Very low	45.2	Very low	184 Å²	184	134.2 Å²	134.2	80%	0.8	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65.3	152.7	-179.7	-68.3	-179.3	178.8	180	0	111.3	P638	P638-K640 PolarHBondContact O-N 3.41Å
641	P	45.6	Very low	44.3	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.6	141.7	165.2	28.7	-35	0	0	0	110
642	V	46.8	Very low	43.7	Very low	141 Å²	141	140.5 Å²	140.5	86%	0.855	81%	0.813	S	S	*	*			trans	-99.7	107.9	168.3	176.9	0	0	0	0	107.4
643	E	37.5	Very low	43.2	Very low	180 Å²	180	144.9 Å²	144.9	84%	0.841	82%	0.82	S	S	*	*			trans	-78.6	123.1	163.3	-65.6	179.8	130.3	0	0	109.4
644	K	47.1	Very low	43.1	Very low	279 Å²	279	147.5 Å²	147.5	100%	1.213	82%	0.82	S	S	*	*			trans	-173.4	0	140.9	-106.5	166.1	-174.7	-179.6	0	111.9

Retrieved 644 of 644 residues in 144.7 ms (Link to these results)

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