A0A077YZV5_TRITR Loading...

Zf-H2C2 2 and zf-C2H2 6 and zf-C2H2 and zf-C2H2 4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZV5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 855 aa.

						>A0A077YZV5_TRITR|A0A077YZV5
MESESNPTVMEDDAHVLDIDPRQLARILSGVEPAAEFVDQHGVTLQITAEQLIEAGLTLDALEGAGVVQFEEGSFQESNGSQFYLINGSEEPMLQQEYSSVTEQKSEQAESAPVLKSDDGAPPPPVLSASVPISSLSRIVPTEEDLNDPEKLRILIDETRREIQEKDKRSEEIAKRKELWERRNKLISTALVKTMSFENEKVLPVCLPEAPDIPVANVIVKRISKGTSPPEDATVINLENDDQCYVQVERLTEQQSSPSYPNKDVSGQVVCDRCPRRFPNPGQLKQHQEMVHPHKGAFYCRFCEREVFFPSEANFQSHIRLCHKGMMEREAAIQGVDEIEEEPDWETICANSETDHECIHKCSICRKDFASALLSRQHVQEDHGISDVQRALSLIKPTQAVTYEHRCAHCGKAYSKAEMLEKHSIIHRKPESGYMPFTCRFCGKTFRWNENLQKHLTSHDSQEPVQCPECSQMFSNSTRLDVHYKARHATRGHQFPCTFCLKSFAVKDALTKHMLSHGQWRCNECGKRFADELFLRRHQSTHSAQDFVCDVCEKVYCRPENLSAHRNLHTGEKPYTCTFCSMRFTSRPNWKAHMKWHSSEKQFACPDCNTRFKTKENLDTHVEVHRQRKPFGCNLCHRFFDRLEYLYTHSEGRRPAGRFACTKCDKSFFAEKALQSHARSHERSNPFVCTVCDRSFPTEQRIQVHMKSHVERPELSHLVVVRNSRTKNFVKIIYLESGEQPVDVQVDHLGELTGKMISKAFPPVVKTREEVAEATAQAGELEAADDKATETTTIEESKAEESKSATDAVAESGEPAQTVGQAERGDSSSNEIVDKEAATPAQMEMEIVEEGAEMF
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	34.3	Very low	223 Å²	223	149.4 Å²	149.4	100%	1.099	81%	0.81	S	S	*	*				0	141.1	0	-71	167.2	173.5	0	0	105.5
2	E	36	Very low	34.4	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	81%	0.805	S	S	*	*			trans	57.2	119.9	-169.5	-65.6	97.5	-119.3	0	0	114
3	S	32.5	Very low	34.5	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	80%	0.802	S	S	*	*			cis	57.3	110	47.9	77.5	0	0	0	0	111.4
4	E	36.3	Very low	35	Very low	185 Å²	185	143.1 Å²	143.1	86%	0.864	79%	0.79	S	S	*	*				-157.6	172.4	68.6	-76.5	154.9	173.8	0	0	109.3
5	S	36.2	Very low	35.6	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	77%	0.769	S	S	*	*			cis	-165	167.3	-26	55	0	0	0	0	108.2
6	N	36.6	Very low	36.3	Very low	145 Å²	145	136.4 Å²	136.4	78%	0.775	75%	0.75	S	S	*	*			trans	-73	176.3	-178.1	-134.1	30	0	0	0	112
7	P	37.1	Very low	37.2	Very low	107 Å²	107	130.2 Å²	130.2	70%	0.695	72%	0.715	S	S	*	*			cis	-144.8	-179	15.1	44.1	-23.8	0	0	0	119.2
8	T	31.1	Very low	38.2	Very low	118 Å²	118	131.1 Å²	131.1	72%	0.724	72%	0.719	S	S	*	*			trans	-52.7	147.4	161.8	-18.1	0	0	0	0	114.8
9	V	30.1	Very low	39.5	Very low	131 Å²	131	124.7 Å²	124.7	79%	0.794	68%	0.684	S	S	*	*			trans	-133.6	154.9	153	-177	0	0	0	0	107.2
10	M	30.8	Very low	40.8	Very low	153 Å²	153	121.7 Å²	121.7	75%	0.754	67%	0.666	S	S	*	*			trans	-90.3	163.4	-180	-55.1	-164.2	-49.4	0	0	111.4
11	E	31.5	Very low	42	Very low	199 Å²	199	117.4 Å²	117.4	93%	0.93	65%	0.645	S	S	*	*			trans	-86.8	109.8	173	-64	170.7	147.3	0	0	108
12	D	35.6	Very low	43.5	Very low	140 Å²	140	115.6 Å²	115.6	75%	0.749	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-94	131.7	175.3	-70.1	-47.5	0	0	0	110
13	D	36.2	Very low	45.2	Very low	144 Å²	144	110.8 Å²	110.8	77%	0.77	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-74.1	122.3	-175	-74.7	-56.5	0	0	0	112.5
14	A	40.5	Very low	47.1	Very low	76 Å²	76	106 Å²	106	63%	0.628	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-87.4	127.5	177.7	0	0	0	0	0	112.5	V16 Q40	A14-V16 PolarHBondContact O-N 3.46Å; A14-Q40 PolarHBondContact O-NE2 2.93Å
15	H	45.4	Very low	49	Very low	105 Å²	105	98.6 Å²	98.6	49%	0.486	54%	0.54	S	S	.	.			trans	-77.8	103.7	177.3	-70.6	-111.3	0	0	0	111.3	D39 H41	H15-D39 IonicContact CE1-OD2 3.2Å; H15-D39 PolarHBondContact CE1-OD2 3.21Å; H15-D39 IonicContact CG-OD2 3.08Å; H15-D39 IonicContact ND1-OD2 2.74Å; H15-D39 PolarHBondContact ND1-OD2 3.26Å; H15-H41 AromaticContact CE1-CD2 3.51Å; H15-H41 AromaticContact ND1-CD2 3.43Å; H15-H41 PolarHBondContact ND1-CD2 2.98Å
16	V	45.7	Very low	50.9	Low	75 Å²	75	97.7 Å²	97.7	46%	0.455	52%	0.52	S	S	.	.			trans	-88.8	130.9	176.9	-174.6	0	0	0	0	110.9	A14	A14-V16 PolarHBondContact O-N 3.46Å
17	L	52.8	Low	52.9	Low	31 Å²	31	90.8 Å²	90.8	16%	0.162	48%	0.483	C	S	.	.			trans	-120.4	96.4	178.5	-76.5	167.7	0	0	0	110.7	I19 D39 L45	L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 HydrophobicContact CB-CD1 4.21Å; L17-I19 HydrophobicContact CB-CG1 4.16Å; L17-I19 PolarHBondContact O-N 2.78Å; L17-D39 HydrophobicContact CD2-CB 3.84Å; L17-L45 HydrophobicContact CD1-CD1 3.95Å
18	D	53.7	Low	54.6	Low	145 Å²	145	86.9 Å²	86.9	78%	0.775	46%	0.456	S	S	*	.			trans	-72.8	82.5	172.3	-86.7	-32.2	0	0	0	110.8
19	I	64.1	Low	56.7	Low	11 Å²	11	84.3 Å²	84.3	6%	0.056	44%	0.443	C	S	.	.			trans	-96.8	124.1	178.4	-57.5	176.7	0	0	0	110.8	L17 Q23 L24 F37 I47	L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 HydrophobicContact CB-CD1 4.21Å; L17-I19 HydrophobicContact CB-CG1 4.16Å; L17-I19 PolarHBondContact O-N 2.78Å; I19-Q23 HydrophobicContact CG2-CB 4.4Å; I19-L24 HydrophobicContact CG2-CD1 4.2Å; I19-L24 HydrophobicContact CG2-CD2 3.84Å; I19-L24 HydrophobicContact CG2-CG 3.68Å; I19-F37 HydrophobicContact CB-CE1 4.32Å; I19-F37 HydrophobicContact CD1-CD1 3.8Å; I19-F37 HydrophobicContact CD1-CD2 4.2Å; I19-F37 HydrophobicContact CD1-CE1 3.97Å; I19-F37 HydrophobicContact CD1-CE2 4.32Å; I19-F37 HydrophobicContact CD1-CG 3.92Å; I19-F37 HydrophobicContact CD1-CZ 4.21Å; I19-F37 HydrophobicContact CG1-CD1 3.77Å; I19-F37 HydrophobicContact CG1-CE1 3.92Å; I19-F37 HydrophobicContact CG1-CG 4.35Å; I19-F37 HydrophobicContact CG2-CD1 4.25Å; I19-F37 HydrophobicContact CG2-CE1 3.51Å; I19-F37 HydrophobicContact CG2-CZ 3.87Å; I19-I47 HydrophobicContact CD1-CD1 4.12Å
20	D	65.5	Low	58.7	Low	63 Å²	63	81 Å²	81	34%	0.337	44%	0.436	S	S	.	.			trans	-59.9	123.8	171.1	173.5	6.8	0	0	0	110.2	R22 Q23 L24	D20-R22 PolarHBondContact O-N 3.11Å; D20-R22 VanDerWaalsContact OD1-CB 3.25Å; D20-R22 WeakPolarHBondContact OD1-CB 3.42Å; D20-R22 WeakPolarHBondContact OD1-CG 3.43Å; D20-R22 PolarHBondContact OD1-N 3.16Å; D20-Q23 HydrophobicContact CB-CG 4.09Å; D20-Q23 WeakPolarHBondContact O-CA 3.15Å; D20-Q23 WeakPolarHBondContact O-CB 3.26Å; D20-Q23 PolarHBondContact O-N 3.47Å; D20-L24 PolarHBondContact O-N 3.3Å
21	P	66.6	Low	60.8	Low	33 Å²	33	78.4 Å²	78.4	21%	0.214	43%	0.428	C	S	.	.	H	α-helix	trans	-58.9	-20.6	177.4	23.1	-33.3	0	0	0	113.1	Q23 A25 L62	P21-Q23 VanDerWaalsContact C-N 3.27Å; P21-Q23 PolarHBondContact O-N 3.37Å; P21-A25 VanDerWaalsContact O-CB 3.24Å; P21-A25 WeakPolarHBondContact O-CB 3.45Å; P21-A25 PolarHBondContact O-N 3.05Å; P21-L62 HydrophobicContact CB-CD2 4.08Å
22	R	70.2	Confident	62.6	Low	185 Å²	185	71.7 Å²	71.7	70%	0.698	40%	0.396	S	S	*	.	H	α-helix	trans	-75.6	-9.1	172.1	-54.9	169.6	165.5	-160.5	-5.6	114.1	D20 R26	D20-R22 PolarHBondContact O-N 3.11Å; D20-R22 VanDerWaalsContact OD1-CB 3.25Å; D20-R22 WeakPolarHBondContact OD1-CB 3.42Å; D20-R22 WeakPolarHBondContact OD1-CG 3.43Å; D20-R22 PolarHBondContact OD1-N 3.16Å; R22-R26 PolarHBondContact O-NE 3.4Å
23	Q	71	Confident	64.2	Low	70 Å²	70	70.5 Å²	70.5	33%	0.327	40%	0.396	S	S	.	.	H	α-helix	trans	-89.8	-48.7	167.9	-65.9	-179.5	27.8	0	0	109.7	I19 D20 P21 A25 R26 I27 F37	I19-Q23 HydrophobicContact CG2-CB 4.4Å; D20-Q23 HydrophobicContact CB-CG 4.09Å; D20-Q23 WeakPolarHBondContact O-CA 3.15Å; D20-Q23 WeakPolarHBondContact O-CB 3.26Å; D20-Q23 PolarHBondContact O-N 3.47Å; P21-Q23 VanDerWaalsContact C-N 3.27Å; P21-Q23 PolarHBondContact O-N 3.37Å; Q23-A25 VanDerWaalsContact C-N 3.27Å; Q23-A25 PolarHBondContact O-N 3.34Å; Q23-R26 WeakPolarHBondContact O-CB 3.45Å; Q23-R26 PolarHBondContact O-N 3.02Å; Q23-I27 PolarHBondContact O-N 3.11Å; Q23-I27 VanDerWaalsContact O-N 3.15Å; Q23-F37 HydrophobicContact CB-CE1 4.46Å; Q23-F37 HydrophobicContact CB-CZ 4.47Å
24	L	72.8	Confident	65.9	Low	0 Å²	0	65.5 Å²	65.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-55.2	-42.6	172.9	-62.4	176.7	0	0	0	112	I19 D20 R26 I27 L28 L52 L57 L62 V68	I19-L24 HydrophobicContact CG2-CD1 4.2Å; I19-L24 HydrophobicContact CG2-CD2 3.84Å; I19-L24 HydrophobicContact CG2-CG 3.68Å; D20-L24 PolarHBondContact O-N 3.3Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 2.9Å; L24-I27 PolarHBondContact O-N 3.03Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 PolarHBondContact O-N 3.5Å; L24-L52 HydrophobicContact CD2-CD1 4Å; L24-L52 HydrophobicContact CD2-CD2 3.9Å; L24-L57 HydrophobicContact CD1-CD2 4.18Å; L24-L62 HydrophobicContact CB-CD1 3.75Å; L24-L62 HydrophobicContact CB-CD2 4.32Å; L24-L62 HydrophobicContact CD1-CD2 4.13Å; L24-V68 HydrophobicContact CD1-CB 4.25Å; L24-V68 HydrophobicContact CD1-CG2 3.93Å
25	A	75.9	Confident	67.3	Low	29 Å²	29	62.7 Å²	62.7	24%	0.24	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-25.6	175.6	0	0	0	0	0	113.9	P21 Q23 S29 L59 L62	P21-A25 VanDerWaalsContact O-CB 3.24Å; P21-A25 WeakPolarHBondContact O-CB 3.45Å; P21-A25 PolarHBondContact O-N 3.05Å; Q23-A25 VanDerWaalsContact C-N 3.27Å; Q23-A25 PolarHBondContact O-N 3.34Å; A25-S29 VanDerWaalsContact O-CB 3.24Å; A25-S29 WeakPolarHBondContact O-CB 3.44Å; A25-S29 PolarHBondContact O-N 3.47Å; A25-S29 PolarHBondContact O-OG 3.25Å; A25-L59 HydrophobicContact CB-CD2 4.14Å; A25-L62 HydrophobicContact CB-CD1 4.14Å
26	R	76.9	Confident	68.7	Low	92 Å²	92	64 Å²	64	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-77.3	-34.2	174.4	-89	-177	-77	148.8	-12	112.7	R22 Q23 L24 S29 G30 V31 E32	R22-R26 PolarHBondContact O-NE 3.4Å; Q23-R26 WeakPolarHBondContact O-CB 3.45Å; Q23-R26 PolarHBondContact O-N 3.02Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 2.9Å; R26-S29 WeakPolarHBondContact CA-OG 3.19Å; R26-S29 PolarHBondContact O-OG 3.06Å; R26-G30 PolarHBondContact O-N 2.85Å; R26-V31 HydrophobicContact CB-CB 4.46Å; R26-V31 HydrophobicContact CG-CB 4.43Å; R26-V31 PolarHBondContact O-N 2.94Å; R26-E32 WeakPolarHBondContact CD-OE1 3.1Å; R26-E32 IonicContact CZ-OE1 3.12Å; R26-E32 IonicContact NE-OE1 3.34Å; R26-E32 IonicContact NH1-OE1 3.59Å; R26-E32 PolarHBondContact NH1-OE1 3.14Å; R26-E32 IonicContact NH1-OE2 2.94Å; R26-E32 PolarHBondContact NH1-OE2 2.93Å; R26-E32 PolarHBondContact O-N 2.81Å
27	I	78.1	Confident	69.9	Low	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69	-51.1	173.3	-54.2	164.7	0	0	0	109.2	Q23 L24 S29 G30 E32 A35 F37 A49 L52	Q23-I27 PolarHBondContact O-N 3.11Å; Q23-I27 VanDerWaalsContact O-N 3.15Å; L24-I27 PolarHBondContact O-N 3.03Å; I27-S29 VanDerWaalsContact C-N 3.3Å; I27-S29 PolarHBondContact O-N 3.34Å; I27-G30 PolarHBondContact O-N 2.6Å; I27-E32 WeakPolarHBondContact CA-O 3.29Å; I27-A35 HydrophobicContact CD1-CB 3.7Å; I27-A35 HydrophobicContact CG1-CB 4.1Å; I27-F37 HydrophobicContact CD1-CE2 3.87Å; I27-F37 HydrophobicContact CD1-CZ 3.91Å; I27-A49 HydrophobicContact CG2-CB 3.97Å; I27-A49 WeakPolarHBondContact O-CB 3.32Å; I27-L52 HydrophobicContact CB-CD1 3.85Å; I27-L52 HydrophobicContact CD1-CD1 4.13Å; I27-L52 HydrophobicContact CG2-CD1 3.75Å
28	L	73.4	Confident	70.7	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.131	36%	0.36	C	S	.	.	H	α-helix	trans	-66	-23.7	179.2	-76	167	0	0	0	114.9	L24 G30 L52 I53 L57 L59 L62	L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 PolarHBondContact O-N 3.5Å; L28-G30 VanDerWaalsContact C-N 3.32Å; L28-L52 HydrophobicContact CD1-CB 4.45Å; L28-L52 HydrophobicContact CD1-CD1 4.48Å; L28-L52 HydrophobicContact CD2-CB 3.7Å; L28-L52 HydrophobicContact CG-CB 4.06Å; L28-L52 HydrophobicContact CG-CD1 4.01Å; L28-I53 HydrophobicContact CD2-CD1 4.45Å; L28-I53 HydrophobicContact CD2-CG1 3.72Å; L28-L57 HydrophobicContact CD1-CB 3.99Å; L28-L57 WeakPolarHBondContact CD2-O 3.49Å; L28-L59 HydrophobicContact CB-CD2 4.28Å; L28-L59 HydrophobicContact CB-CG 4.22Å; L28-L62 HydrophobicContact CD1-CD1 3.71Å
29	S	74	Confident	71.4	Confident	64 Å²	64	58 Å²	58	45%	0.448	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.6	171.9	56.4	0	0	0	0	114	A25 R26 I27 V31	A25-S29 VanDerWaalsContact O-CB 3.24Å; A25-S29 WeakPolarHBondContact O-CB 3.44Å; A25-S29 PolarHBondContact O-N 3.47Å; A25-S29 PolarHBondContact O-OG 3.25Å; R26-S29 WeakPolarHBondContact CA-OG 3.19Å; R26-S29 PolarHBondContact O-OG 3.06Å; I27-S29 VanDerWaalsContact C-N 3.3Å; I27-S29 PolarHBondContact O-N 3.34Å; S29-V31 VanDerWaalsContact C-N 3.26Å; S29-V31 PolarHBondContact O-N 3.45Å
30	G	72.6	Confident	70.9	Confident	62 Å²	62	62.6 Å²	62.6	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	18.7	177.7	0	0	0	0	0	114.6	R26 I27 L28	R26-G30 PolarHBondContact O-N 2.85Å; I27-G30 PolarHBondContact O-N 2.6Å; L28-G30 VanDerWaalsContact C-N 3.32Å
31	V	73.9	Confident	70.8	Confident	97 Å²	97	64.6 Å²	64.6	59%	0.588	35%	0.354	S	S	*	.	S	Bend	trans	-77.4	-34.3	176.2	178.4	0	0	0	0	110.7	R26 S29	R26-V31 HydrophobicContact CB-CB 4.46Å; R26-V31 HydrophobicContact CG-CB 4.43Å; R26-V31 PolarHBondContact O-N 2.94Å; S29-V31 VanDerWaalsContact C-N 3.26Å; S29-V31 PolarHBondContact O-N 3.45Å
32	E	70	Confident	70.6	Confident	59 Å²	59	65.6 Å²	65.6	28%	0.276	37%	0.37	S	S	.	.	S	Bend	trans	-127.2	119.4	176.1	-72.7	161.2	-154.3	0	0	107.7	R26 I27 A34	R26-E32 WeakPolarHBondContact CD-OE1 3.1Å; R26-E32 IonicContact CZ-OE1 3.12Å; R26-E32 IonicContact NE-OE1 3.34Å; R26-E32 IonicContact NH1-OE1 3.59Å; R26-E32 PolarHBondContact NH1-OE1 3.14Å; R26-E32 IonicContact NH1-OE2 2.94Å; R26-E32 PolarHBondContact NH1-OE2 2.93Å; R26-E32 PolarHBondContact O-N 2.81Å; I27-E32 WeakPolarHBondContact CA-O 3.29Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.16Å
33	P	68.4	Low	70.7	Confident	115 Å²	115	60.2 Å²	60.2	75%	0.747	36%	0.358	S	S	*	.	S	Bend	trans	-71.8	-27.9	-171.6	28.1	-35	0	0	0	113.3
34	A	73	Confident	70.6	Confident	39 Å²	39	61.5 Å²	61.5	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.2	168.4	0	0	0	0	0	108.2	E32 I47 T48	E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.16Å; A34-I47 VanDerWaalsContact CA-O 3.24Å; A34-I47 WeakPolarHBondContact CA-O 3.46Å; A34-T48 HydrophobicContact CB-CG2 4.18Å
35	A	70	Confident	70.4	Confident	16 Å²	16	64.9 Å²	64.9	13%	0.132	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.1	170.8	0	0	0	0	0	110.9	I27 F37 Q46 I47	I27-A35 HydrophobicContact CD1-CB 3.7Å; I27-A35 HydrophobicContact CG1-CB 4.1Å; A35-F37 HydrophobicContact CB-CD2 4.46Å; A35-F37 HydrophobicContact CB-CE2 3.7Å; A35-F37 HydrophobicContact CB-CZ 3.88Å; A35-Q46 WeakPolarHBondContact O-CA 3.16Å; A35-I47 PolarHBondContact N-O 2.64Å; A35-I47 VanDerWaalsContact N-O 3.07Å; A35-I47 PolarHBondContact O-N 2.78Å
36	E	75.2	Confident	70.3	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.621	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.1	176	-75.5	175	178.7	0	0	109.8	L45 Q46	E36-L45 WeakPolarHBondContact CA-O 3.27Å; E36-Q46 HydrophobicContact CG-CG 3.56Å; E36-Q46 PolarHBondContact OE1-NE2 2.99Å
37	F	69.8	Low	70.2	Confident	16 Å²	16	66.2 Å²	66.2	7%	0.07	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.3	174.3	-63.6	-78.2	0	0	0	109.8	I19 Q23 I27 A35 T44 L45 I47	I19-F37 HydrophobicContact CB-CE1 4.32Å; I19-F37 HydrophobicContact CD1-CD1 3.8Å; I19-F37 HydrophobicContact CD1-CD2 4.2Å; I19-F37 HydrophobicContact CD1-CE1 3.97Å; I19-F37 HydrophobicContact CD1-CE2 4.32Å; I19-F37 HydrophobicContact CD1-CG 3.92Å; I19-F37 HydrophobicContact CD1-CZ 4.21Å; I19-F37 HydrophobicContact CG1-CD1 3.77Å; I19-F37 HydrophobicContact CG1-CE1 3.92Å; I19-F37 HydrophobicContact CG1-CG 4.35Å; I19-F37 HydrophobicContact CG2-CD1 4.25Å; I19-F37 HydrophobicContact CG2-CE1 3.51Å; I19-F37 HydrophobicContact CG2-CZ 3.87Å; Q23-F37 HydrophobicContact CB-CE1 4.46Å; Q23-F37 HydrophobicContact CB-CZ 4.47Å; I27-F37 HydrophobicContact CD1-CE2 3.87Å; I27-F37 HydrophobicContact CD1-CZ 3.91Å; A35-F37 HydrophobicContact CB-CD2 4.46Å; A35-F37 HydrophobicContact CB-CE2 3.7Å; A35-F37 HydrophobicContact CB-CZ 3.88Å; F37-T44 CarbonylContact O-C 3.51Å; F37-T44 WeakPolarHBondContact O-CA 3.21Å; F37-L45 PolarHBondContact N-O 3.48Å; F37-L45 PolarHBondContact O-N 2.97Å; F37-I47 HydrophobicContact CD2-CB 4.13Å; F37-I47 HydrophobicContact CD2-CD1 3.6Å; F37-I47 HydrophobicContact CD2-CG1 3.84Å; F37-I47 HydrophobicContact CE2-CB 4.01Å; F37-I47 HydrophobicContact CE2-CD1 3.92Å; F37-I47 HydrophobicContact CE2-CG1 4.19Å; F37-I47 HydrophobicContact CG-CD1 4.46Å
38	V	69.9	Low	70.3	Confident	97 Å²	97	68 Å²	68	59%	0.588	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.7	174.5	-175.5	0	0	0	0	107.6	V43 T44	V38-V43 WeakPolarHBondContact CA-O 3.33Å; V38-T44 HydrophobicContact CG2-CG2 4.21Å
39	D	67.5	Low	70.5	Confident	12 Å²	12	68 Å²	68	6%	0.064	41%	0.408	C	S	.	.			trans	-75.8	175.5	177.1	85.3	-17.6	0	0	0	112.5	H15 L17 H41 G42 V43	H15-D39 IonicContact CE1-OD2 3.2Å; H15-D39 PolarHBondContact CE1-OD2 3.21Å; H15-D39 IonicContact CG-OD2 3.08Å; H15-D39 IonicContact ND1-OD2 2.74Å; H15-D39 PolarHBondContact ND1-OD2 3.26Å; L17-D39 HydrophobicContact CD2-CB 3.84Å; D39-H41 PolarHBondContact O-N 3.39Å; D39-H41 VanDerWaalsContact OD1-C 3.31Å; D39-H41 WeakPolarHBondContact OD1-CA 3.28Å; D39-H41 WeakPolarHBondContact OD1-CB 3.44Å; D39-H41 PolarHBondContact OD1-N 3.36Å; D39-H41 IonicContact OD2-CD2 2.64Å; D39-H41 PolarHBondContact OD2-CD2 2.68Å; D39-G42 PolarHBondContact O-N 3.44Å; D39-G42 VanDerWaalsContact O-N 3.09Å; D39-G42 PolarHBondContact OD1-N 3.01Å; D39-V43 PolarHBondContact N-O 2.85Å; D39-V43 WeakPolarHBondContact OD1-CB 3.38Å; D39-V43 PolarHBondContact OD1-N 2.8Å
40	Q	54.7	Low	70.5	Confident	107 Å²	107	72 Å²	72	50%	0.5	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.5	177.7	73.1	-166.5	6.2	0	0	114.6	A14	A14-Q40 PolarHBondContact O-NE2 2.93Å
41	H	63.2	Low	70.4	Confident	106 Å²	106	72.8 Å²	72.8	49%	0.491	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-3.7	178.9	-56.2	-82.7	0	0	0	113.2	H15 D39 V43	H15-H41 AromaticContact CE1-CD2 3.51Å; H15-H41 AromaticContact ND1-CD2 3.43Å; H15-H41 PolarHBondContact ND1-CD2 2.98Å; D39-H41 PolarHBondContact O-N 3.39Å; D39-H41 VanDerWaalsContact OD1-C 3.31Å; D39-H41 WeakPolarHBondContact OD1-CA 3.28Å; D39-H41 WeakPolarHBondContact OD1-CB 3.44Å; D39-H41 PolarHBondContact OD1-N 3.36Å; D39-H41 IonicContact OD2-CD2 2.64Å; D39-H41 PolarHBondContact OD2-CD2 2.68Å; H41-V43 HydrophobicContact CB-CG2 4.46Å
42	G	63	Low	70.3	Confident	53 Å²	53	68.3 Å²	68.3	55%	0.546	38%	0.38	S	S	.	.	S	Bend	trans	89.4	12.4	-178.8	0	0	0	0	0	115	D39	D39-G42 PolarHBondContact O-N 3.44Å; D39-G42 VanDerWaalsContact O-N 3.09Å; D39-G42 PolarHBondContact OD1-N 3.01Å
43	V	71.7	Confident	70.3	Confident	72 Å²	72	70.8 Å²	70.8	44%	0.436	39%	0.394	S	S	.	.			trans	-80.3	125.4	176.8	-175.1	0	0	0	0	109.7	V38 D39 H41 L45	V38-V43 WeakPolarHBondContact CA-O 3.33Å; D39-V43 PolarHBondContact N-O 2.85Å; D39-V43 WeakPolarHBondContact OD1-CB 3.38Å; D39-V43 PolarHBondContact OD1-N 2.8Å; H41-V43 HydrophobicContact CB-CG2 4.46Å; V43-L45 HydrophobicContact CG1-CD2 4.25Å
44	T	67.6	Low	70.5	Confident	98 Å²	98	73.2 Å²	73.2	60%	0.601	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.4	174.2	50.1	0	0	0	0	111	F37 V38	F37-T44 CarbonylContact O-C 3.51Å; F37-T44 WeakPolarHBondContact O-CA 3.21Å; V38-T44 HydrophobicContact CG2-CG2 4.21Å
45	L	69.1	Low	70	Confident	71 Å²	71	72.1 Å²	72.1	37%	0.372	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.8	175.1	-61.8	172.2	0	0	0	109.7	L17 E36 F37 V43	L17-L45 HydrophobicContact CD1-CD1 3.95Å; E36-L45 WeakPolarHBondContact CA-O 3.27Å; F37-L45 PolarHBondContact N-O 3.48Å; F37-L45 PolarHBondContact O-N 2.97Å; V43-L45 HydrophobicContact CG1-CD2 4.25Å
46	Q	74.4	Confident	69.8	Low	124 Å²	124	73.6 Å²	73.6	58%	0.579	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.1	168.9	-78.8	-176.2	-5.8	0	0	109.6	A35 E36	A35-Q46 WeakPolarHBondContact O-CA 3.16Å; E36-Q46 HydrophobicContact CG-CG 3.56Å; E36-Q46 PolarHBondContact OE1-NE2 2.99Å
47	I	74.4	Confident	69.3	Low	24 Å²	24	67.5 Å²	67.5	12%	0.123	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.9	175.4	-57.8	-179.8	0	0	0	109	I19 A34 A35 F37 L52	I19-I47 HydrophobicContact CD1-CD1 4.12Å; A34-I47 VanDerWaalsContact CA-O 3.24Å; A34-I47 WeakPolarHBondContact CA-O 3.46Å; A35-I47 PolarHBondContact N-O 2.64Å; A35-I47 VanDerWaalsContact N-O 3.07Å; A35-I47 PolarHBondContact O-N 2.78Å; F37-I47 HydrophobicContact CD2-CB 4.13Å; F37-I47 HydrophobicContact CD2-CD1 3.6Å; F37-I47 HydrophobicContact CD2-CG1 3.84Å; F37-I47 HydrophobicContact CE2-CB 4.01Å; F37-I47 HydrophobicContact CE2-CD1 3.92Å; F37-I47 HydrophobicContact CE2-CG1 4.19Å; F37-I47 HydrophobicContact CG-CD1 4.46Å; I47-L52 HydrophobicContact CG2-CD1 4.16Å; I47-L52 HydrophobicContact CG2-CD2 3.79Å; I47-L52 HydrophobicContact CG2-CG 3.73Å
48	T	80.1	Confident	69.3	Low	39 Å²	39	70.1 Å²	70.1	24%	0.239	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	162.8	178.8	76.4	0	0	0	0	112.3	A34 E50 Q51 L52	A34-T48 HydrophobicContact CB-CG2 4.18Å; T48-E50 PolarHBondContact O-N 2.75Å; T48-E50 PolarHBondContact OG1-N 2.97Å; T48-Q51 PolarHBondContact O-N 3.48Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.43Å; T48-Q51 PolarHBondContact OG1-N 2.89Å; T48-Q51 PolarHBondContact OG1-OE1 2.99Å; T48-L52 PolarHBondContact O-N 3.05Å
49	A	78	Confident	69.2	Low	23 Å²	23	69.4 Å²	69.4	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-34.5	172.5	0	0	0	0	0	112.6	I27 L52 I53	I27-A49 HydrophobicContact CG2-CB 3.97Å; I27-A49 WeakPolarHBondContact O-CB 3.32Å; A49-L52 PolarHBondContact O-N 3.43Å; A49-I53 WeakPolarHBondContact O-CD1 3.44Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.27Å; A49-I53 PolarHBondContact O-N 3.35Å; A49-I53 VanDerWaalsContact O-N 3.1Å
50	E	74.4	Confident	69	Low	148 Å²	148	75.2 Å²	75.2	69%	0.692	42%	0.415	S	S	*	.	H	α-helix	trans	-64.4	-46.3	178.3	-61.9	174.8	151.4	0	0	110.7	T48 L52 I53 E54	T48-E50 PolarHBondContact O-N 2.75Å; T48-E50 PolarHBondContact OG1-N 2.97Å; E50-L52 VanDerWaalsContact C-N 3.35Å; E50-L52 PolarHBondContact O-N 2.8Å; E50-I53 PolarHBondContact O-N 3.3Å; E50-E54 WeakPolarHBondContact O-CG 3.43Å; E50-E54 PolarHBondContact O-N 3.49Å
51	Q	70.6	Confident	69.3	Low	79 Å²	79	72.6 Å²	72.6	37%	0.369	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-37.6	177.2	-71.1	167.5	-35.2	0	0	112.9	T48 E54 A55	T48-Q51 PolarHBondContact O-N 3.48Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.43Å; T48-Q51 PolarHBondContact OG1-N 2.89Å; T48-Q51 PolarHBondContact OG1-OE1 2.99Å; Q51-E54 PolarHBondContact O-N 3.23Å; Q51-A55 VanDerWaalsContact O-CB 3.27Å; Q51-A55 WeakPolarHBondContact O-CB 3.29Å; Q51-A55 PolarHBondContact O-N 3.06Å
52	L	70.7	Confident	69.1	Low	4 Å²	4	68.5 Å²	68.5	2%	0.021	39%	0.394	C	S	.	.	H	α-helix	trans	-68.3	-35.4	176.1	-68.1	174.2	0	0	0	112.3	L24 I27 L28 I47 T48 A49 E50 G56 L57	L24-L52 HydrophobicContact CD2-CD1 4Å; L24-L52 HydrophobicContact CD2-CD2 3.9Å; I27-L52 HydrophobicContact CB-CD1 3.85Å; I27-L52 HydrophobicContact CD1-CD1 4.13Å; I27-L52 HydrophobicContact CG2-CD1 3.75Å; L28-L52 HydrophobicContact CD1-CB 4.45Å; L28-L52 HydrophobicContact CD1-CD1 4.48Å; L28-L52 HydrophobicContact CD2-CB 3.7Å; L28-L52 HydrophobicContact CG-CB 4.06Å; L28-L52 HydrophobicContact CG-CD1 4.01Å; I47-L52 HydrophobicContact CG2-CD1 4.16Å; I47-L52 HydrophobicContact CG2-CD2 3.79Å; I47-L52 HydrophobicContact CG2-CG 3.73Å; T48-L52 PolarHBondContact O-N 3.05Å; A49-L52 PolarHBondContact O-N 3.43Å; E50-L52 VanDerWaalsContact C-N 3.35Å; E50-L52 PolarHBondContact O-N 2.8Å; L52-G56 PolarHBondContact O-N 2.96Å; L52-L57 HydrophobicContact CD2-CD1 4.3Å; L52-L57 WeakPolarHBondContact O-CB 3.33Å; L52-L57 PolarHBondContact O-N 3.44Å
53	I	71.6	Confident	68.5	Low	110 Å²	110	74.6 Å²	74.6	56%	0.564	41%	0.408	S	S	*	.	H	α-helix	trans	-71.6	-40.5	175.4	-67.6	165	0	0	0	110.7	L28 A49 E50 A55 G56	L28-I53 HydrophobicContact CD2-CD1 4.45Å; L28-I53 HydrophobicContact CD2-CG1 3.72Å; A49-I53 WeakPolarHBondContact O-CD1 3.44Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.27Å; A49-I53 PolarHBondContact O-N 3.35Å; A49-I53 VanDerWaalsContact O-N 3.1Å; E50-I53 PolarHBondContact O-N 3.3Å; I53-A55 VanDerWaalsContact C-N 3.31Å; I53-A55 PolarHBondContact O-N 3.35Å; I53-G56 PolarHBondContact O-N 2.95Å
54	E	71.4	Confident	67.5	Low	166 Å²	166	74.8 Å²	74.8	78%	0.776	43%	0.425	S	S	*	.	H	α-helix	trans	-65.3	-32.6	173.9	-72.1	-177.7	159	0	0	112.5	E50 Q51 G56	E50-E54 WeakPolarHBondContact O-CG 3.43Å; E50-E54 PolarHBondContact O-N 3.49Å; Q51-E54 PolarHBondContact O-N 3.23Å; E54-G56 PolarHBondContact O-N 3.19Å
55	A	63.2	Low	66.6	Low	16 Å²	16	71.7 Å²	71.7	13%	0.132	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-1	169.4	0	0	0	0	0	114.3	Q51 I53 L57 F83	Q51-A55 VanDerWaalsContact O-CB 3.27Å; Q51-A55 WeakPolarHBondContact O-CB 3.29Å; Q51-A55 PolarHBondContact O-N 3.06Å; I53-A55 VanDerWaalsContact C-N 3.31Å; I53-A55 PolarHBondContact O-N 3.35Å; A55-L57 HydrophobicContact CB-CD1 3.76Å; A55-L57 PolarHBondContact O-N 3.29Å; A55-F83 HydrophobicContact CB-CB 3.9Å; A55-F83 HydrophobicContact CB-CD2 4.14Å; A55-F83 HydrophobicContact CB-CG 4.45Å
56	G	65.4	Low	65.3	Low	47 Å²	47	71.7 Å²	71.7	49%	0.485	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	11.6	177.3	0	0	0	0	0	115.6	L52 I53 E54 T58	L52-G56 PolarHBondContact O-N 2.96Å; I53-G56 PolarHBondContact O-N 2.95Å; E54-G56 PolarHBondContact O-N 3.19Å; G56-T58 PolarHBondContact O-N 3.02Å
57	L	63.8	Low	63.8	Low	5 Å²	5	70 Å²	70	3%	0.026	42%	0.424	C	S	.	.			trans	-75.9	115.9	172.8	-73.1	93.6	0	0	0	110.5	L24 L28 L52 A55 L62 V68 F70 L85	L24-L57 HydrophobicContact CD1-CD2 4.18Å; L28-L57 HydrophobicContact CD1-CB 3.99Å; L28-L57 WeakPolarHBondContact CD2-O 3.49Å; L52-L57 HydrophobicContact CD2-CD1 4.3Å; L52-L57 WeakPolarHBondContact O-CB 3.33Å; L52-L57 PolarHBondContact O-N 3.44Å; A55-L57 HydrophobicContact CB-CD1 3.76Å; A55-L57 PolarHBondContact O-N 3.29Å; L57-L62 HydrophobicContact CD2-CD2 4.15Å; L57-V68 HydrophobicContact CD2-CG1 4.44Å; L57-F70 HydrophobicContact CD1-CE1 4.23Å; L57-F70 HydrophobicContact CD1-CZ 4.43Å; L57-L85 HydrophobicContact CD1-CD1 4.49Å; L57-L85 HydrophobicContact CG-CD1 4.36Å
58	T	70.6	Confident	62.4	Low	72 Å²	72	69.3 Å²	69.3	44%	0.442	42%	0.421	S	S	.	.			trans	-96.8	162.1	165.8	64.1	0	0	0	0	110.6	G56 D60 A61 L62	G56-T58 PolarHBondContact O-N 3.02Å; T58-D60 PolarHBondContact O-N 2.83Å; T58-A61 PolarHBondContact O-N 2.92Å; T58-A61 VanDerWaalsContact O-N 3.17Å; T58-A61 WeakPolarHBondContact OG1-CB 3.38Å; T58-A61 PolarHBondContact OG1-N 3.12Å; T58-A61 VanDerWaalsContact OG1-N 3.1Å; T58-L62 PolarHBondContact O-N 3.38Å
59	L	66.8	Low	60.7	Low	82 Å²	82	74.6 Å²	74.6	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-57.8	-41.1	169.8	-81.4	159.2	0	0	0	111.1	A25 L28 A61 L62 E63	A25-L59 HydrophobicContact CB-CD2 4.14Å; L28-L59 HydrophobicContact CB-CD2 4.28Å; L28-L59 HydrophobicContact CB-CG 4.22Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 3.44Å; L59-L62 PolarHBondContact O-N 3.04Å; L59-E63 PolarHBondContact O-N 3.5Å
60	D	64.8	Low	59.1	Low	133 Å²	133	75.2 Å²	75.2	71%	0.711	44%	0.442	S	S	*	.	H	α-helix	trans	-60.2	-32.9	176.5	-49.8	-12.2	0	0	0	112.7	T58 L62 E63	T58-D60 PolarHBondContact O-N 2.83Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.26Å; D60-E63 PolarHBondContact O-N 3.15Å
61	A	60.4	Low	57.3	Low	53 Å²	53	74.8 Å²	74.8	44%	0.438	44%	0.44	S	S	.	.	H	α-helix	trans	-73.7	-18.6	177.3	0	0	0	0	0	113.4	T58 L59	T58-A61 PolarHBondContact O-N 2.92Å; T58-A61 VanDerWaalsContact O-N 3.17Å; T58-A61 WeakPolarHBondContact OG1-CB 3.38Å; T58-A61 PolarHBondContact OG1-N 3.12Å; T58-A61 VanDerWaalsContact OG1-N 3.1Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 3.44Å
62	L	59.4	Low	55.7	Low	19 Å²	19	78.3 Å²	78.3	10%	0.099	46%	0.456	C	S	.	.	H	α-helix	trans	-88.3	-13.1	174.2	-68.6	173.1	0	0	0	113	P21 L24 A25 L28 L57 T58 L59 D60 G64 V68	P21-L62 HydrophobicContact CB-CD2 4.08Å; L24-L62 HydrophobicContact CB-CD1 3.75Å; L24-L62 HydrophobicContact CB-CD2 4.32Å; L24-L62 HydrophobicContact CD1-CD2 4.13Å; A25-L62 HydrophobicContact CB-CD1 4.14Å; L28-L62 HydrophobicContact CD1-CD1 3.71Å; L57-L62 HydrophobicContact CD2-CD2 4.15Å; T58-L62 PolarHBondContact O-N 3.38Å; L59-L62 PolarHBondContact O-N 3.04Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.26Å; L62-G64 PolarHBondContact O-N 3.32Å; L62-V68 HydrophobicContact CD2-CG2 4.15Å
63	E	49.8	Very low	54	Low	181 Å²	181	81.8 Å²	81.8	85%	0.846	49%	0.493	S	S	*	.	S	Bend	trans	-75.4	64.7	174.4	-67.7	-149.5	136.1	0	0	112.5	L59 D60	L59-E63 PolarHBondContact O-N 3.5Å; D60-E63 PolarHBondContact O-N 3.15Å
64	G	51.4	Low	51.9	Low	76 Å²	76	81.7 Å²	81.7	78%	0.784	50%	0.502	S	S	*	.	S	Bend	trans	147.5	-11.6	174.3	0	0	0	0	0	115.2	L62 G66	L62-G64 PolarHBondContact O-N 3.32Å; G64-G66 PolarHBondContact O-N 3.09Å
65	A	47.6	Very low	49.7	Very low	34 Å²	34	82.9 Å²	82.9	28%	0.281	51%	0.505	S	S	.	.			trans	-69.2	121.3	175.5	0	0	0	0	0	111	V68	A65-V68 HydrophobicContact CB-CG2 4.41Å
66	G	42.6	Very low	48	Very low	71 Å²	71	90.3 Å²	90.3	73%	0.732	54%	0.537	S	S	*	.	S	Bend	trans	-83.1	-29	177.3	0	0	0	0	0	114	G64	G64-G66 PolarHBondContact O-N 3.09Å
67	V	42	Very low	46.1	Very low	88 Å²	88	96.7 Å²	96.7	53%	0.533	55%	0.554	S	S	.	*			trans	-149.4	147.2	175.9	-177.4	0	0	0	0	106.5	Q69	V67-Q69 HydrophobicContact CG1-CG 4.28Å
68	V	45.2	Very low	44.4	Very low	10 Å²	10	101.6 Å²	101.6	6%	0.061	59%	0.589	C	S	.	*			trans	-113.9	134.7	168.5	-178.2	0	0	0	0	107.8	L24 L57 L62 A65 F70 L85	L24-V68 HydrophobicContact CD1-CB 4.25Å; L24-V68 HydrophobicContact CD1-CG2 3.93Å; L57-V68 HydrophobicContact CD2-CG1 4.44Å; L62-V68 HydrophobicContact CD2-CG2 4.15Å; A65-V68 HydrophobicContact CB-CG2 4.41Å; V68-F70 HydrophobicContact CG1-CD2 4.41Å; V68-F70 HydrophobicContact CG1-CE1 4.24Å; V68-F70 HydrophobicContact CG1-CE2 3.75Å; V68-F70 HydrophobicContact CG1-CZ 3.66Å; V68-L85 HydrophobicContact CG1-CD2 4.02Å
69	Q	44.9	Very low	42.5	Very low	150 Å²	150	106.6 Å²	106.6	70%	0.701	61%	0.613	S	S	*	*			trans	-119	147.8	177.9	-67.6	-177.4	-42.5	0	0	109.8	V67	V67-Q69 HydrophobicContact CG1-CG 4.28Å
70	F	44.5	Very low	40.7	Very low	35 Å²	35	106.1 Å²	106.1	15%	0.154	63%	0.627	C	S	.	*			trans	-132.6	136.8	-179.3	-63.6	-76.4	0	0	0	109.1	L57 V68 F83	L57-F70 HydrophobicContact CD1-CE1 4.23Å; L57-F70 HydrophobicContact CD1-CZ 4.43Å; V68-F70 HydrophobicContact CG1-CD2 4.41Å; V68-F70 HydrophobicContact CG1-CE1 4.24Å; V68-F70 HydrophobicContact CG1-CE2 3.75Å; V68-F70 HydrophobicContact CG1-CZ 3.66Å; F70-F83 HydrophobicContact CB-CD1 4.16Å; F70-F83 HydrophobicContact CD1-CB 3.98Å; F70-F83 AromaticContact CD1-CD1 3.73Å; F70-F83 HydrophobicContact CD1-CD1 3.73Å; F70-F83 HydrophobicContact CD1-CE1 4.5Å; F70-F83 HydrophobicContact CD1-CG 4.01Å; F70-F83 HydrophobicContact CE1-CB 4.33Å; F70-F83 HydrophobicContact CE1-CD1 4.5Å; F70-F83 HydrophobicContact CE1-CG 4.42Å; F70-F83 HydrophobicContact CG-CD1 4.26Å
71	E	37.3	Very low	39.2	Very low	139 Å²	139	103.8 Å²	103.8	65%	0.65	62%	0.622	S	S	*	*			trans	-127.3	137.6	173.9	-64.7	-176.5	158.4	0	0	109
72	E	36.4	Very low	37.7	Very low	154 Å²	154	108.3 Å²	108.3	72%	0.72	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-97.2	117.1	170.7	-74.8	-161.1	132.1	0	0	110.9
73	G	34.3	Very low	36.5	Very low	77 Å²	77	110.5 Å²	110.5	79%	0.794	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-88.3	144.4	171.8	0	0	0	0	0	112.2
74	S	28.1	Very low	35.7	Very low	107 Å²	107	109.3 Å²	109.3	75%	0.748	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-91.8	152.7	-164.3	63.1	0	0	0	0	116.2
75	F	24.5	Very low	34.7	Very low	192 Å²	192	109.9 Å²	109.9	84%	0.842	62%	0.616	S	S	*	*			trans	66.5	141.8	179.7	-72.6	-99.9	0	0	0	115.2
76	Q	28	Very low	34.1	Very low	171 Å²	171	114.3 Å²	114.3	80%	0.799	63%	0.634	S	S	*	*			cis	-145.8	166.7	14.5	-164	165.8	4.1	0	0	111.7	S78	Q76-S78 PolarHBondContact O-N 2.89Å
77	E	26.2	Very low	33.7	Very low	182 Å²	182	117.8 Å²	117.8	85%	0.85	64%	0.636	S	S	*	*			trans	-50.5	101.1	-172.3	-58.1	173	127.7	0	0	116.4
78	S	28	Very low	33.2	Very low	108 Å²	108	117.6 Å²	117.6	76%	0.755	65%	0.651	S	S	*	*	S	Bend		171.5	127.6	125.3	42.2	0	0	0	0	113.3	Q76 G80	Q76-S78 PolarHBondContact O-N 2.89Å; S78-G80 PolarHBondContact O-N 2.19Å
79	N	30.1	Very low	32.6	Very low	177 Å²	177	122.2 Å²	122.2	95%	0.947	68%	0.684	S	S	*	*	S	Bend	trans	37.1	72.9	162.2	-62.3	4.8	0	0	0	118
80	G	29.8	Very low	31.8	Very low	71 Å²	71	124.3 Å²	124.3	73%	0.732	69%	0.694	S	S	*	*			trans	164.7	122	162.2	0	0	0	0	0	113.8	S78	S78-G80 PolarHBondContact O-N 2.19Å
81	S	32.7	Very low	31.1	Very low	84 Å²	84	131.5 Å²	131.5	59%	0.587	73%	0.728	S	S	*	*			trans	-91.9	117.3	168	-63	0	0	0	0	108.9
82	Q	29.8	Very low	30.8	Very low	148 Å²	148	130.6 Å²	130.6	69%	0.692	73%	0.734	S	S	*	*			trans	-96.6	130.6	171	-68.6	-163.7	-71.9	0	0	110.3	Y84	Q82-Y84 HydrophobicContact CB-CE2 4.32Å
83	F	34.1	Very low	30.2	Very low	66 Å²	66	131.4 Å²	131.4	29%	0.289	74%	0.74	S	S	.	*			trans	-106	147.7	173.4	-62.6	-76.9	0	0	0	110.2	A55 F70	A55-F83 HydrophobicContact CB-CB 3.9Å; A55-F83 HydrophobicContact CB-CD2 4.14Å; A55-F83 HydrophobicContact CB-CG 4.45Å; F70-F83 HydrophobicContact CB-CD1 4.16Å; F70-F83 HydrophobicContact CD1-CB 3.98Å; F70-F83 AromaticContact CD1-CD1 3.73Å; F70-F83 HydrophobicContact CD1-CD1 3.73Å; F70-F83 HydrophobicContact CD1-CE1 4.5Å; F70-F83 HydrophobicContact CD1-CG 4.01Å; F70-F83 HydrophobicContact CE1-CB 4.33Å; F70-F83 HydrophobicContact CE1-CD1 4.5Å; F70-F83 HydrophobicContact CE1-CG 4.42Å; F70-F83 HydrophobicContact CG-CD1 4.26Å
84	Y	32.6	Very low	30	Very low	155 Å²	155	135.8 Å²	135.8	61%	0.608	75%	0.745	S	S	*	*			trans	-125.9	139.8	178	-66.1	-80.1	0	0	0	111.6	Q82	Q82-Y84 HydrophobicContact CB-CE2 4.32Å
85	L	29.6	Very low	29.9	Very low	88 Å²	88	138.9 Å²	138.9	46%	0.461	75%	0.747	S	S	.	*			trans	-98.1	114.2	175	-74.5	165.1	0	0	0	110.3	L57 V68	L57-L85 HydrophobicContact CD1-CD1 4.49Å; L57-L85 HydrophobicContact CG-CD1 4.36Å; V68-L85 HydrophobicContact CG1-CD2 4.02Å
86	I	36.3	Very low	30.2	Very low	127 Å²	127	139.1 Å²	139.1	65%	0.651	75%	0.751	S	S	*	*			trans	-94.7	107.2	176.1	-56.9	178.5	0	0	0	109.7	G88	I86-G88 PolarHBondContact O-N 2.64Å
87	N	34.3	Very low	30.2	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	75%	0.751	S	S	*	*			trans	-77.7	104	170.6	-89.8	-42.8	0	0	0	110.3	S89	N87-S89 VanDerWaalsContact C-N 3.27Å; N87-S89 PolarHBondContact O-N 3.27Å
88	G	30.6	Very low	30.4	Very low	84 Å²	84	141.6 Å²	141.6	87%	0.866	75%	0.754	S	S	*	*	S	Bend	trans	-70	65.7	-177.9	0	0	0	0	0	115.5	I86	I86-G88 PolarHBondContact O-N 2.64Å
89	S	32	Very low	30.4	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	75%	0.751	S	S	*	*			trans	-156.1	66.1	168.9	69.5	0	0	0	0	113.8	N87	N87-S89 VanDerWaalsContact C-N 3.27Å; N87-S89 PolarHBondContact O-N 3.27Å
90	E	29.1	Very low	30.3	Very low	193 Å²	193	137.9 Å²	137.9	90%	0.902	74%	0.742	S	S	*	*			trans	-101.1	121.1	165.9	-65.7	-160.3	149	0	0	111.6
91	E	30.1	Very low	30.4	Very low	186 Å²	186	141.5 Å²	141.5	87%	0.869	75%	0.75	S	S	*	*			trans	-133.6	141.3	151.5	-95	-161.9	128.8	0	0	108.4
92	P	30.8	Very low	30.2	Very low	121 Å²	121	143.1 Å²	143.1	79%	0.786	76%	0.756	S	S	*	*			trans	-82.5	131.5	-160	30.4	-35.9	0	0	0	114.2	L94	P92-L94 PolarHBondContact O-N 3.43Å
93	M	24.3	Very low	30.5	Very low	171 Å²	171	143.5 Å²	143.5	84%	0.842	76%	0.758	S	S	*	*			trans	-77.9	110.1	163.1	-78.2	-155.4	71.2	0	0	111.3	Q95	M93-Q95 PolarHBondContact O-N 2.78Å
94	L	28.9	Very low	30.5	Very low	169 Å²	169	146.2 Å²	146.2	89%	0.885	77%	0.771	S	S	*	*			trans	-83.4	107.1	160.1	-81.5	172.3	0	0	0	110	P92	P92-L94 PolarHBondContact O-N 3.43Å
95	Q	25.9	Very low	30.7	Very low	171 Å²	171	146.7 Å²	146.7	80%	0.799	78%	0.777	S	S	*	*			trans	-76.6	134.2	168.6	-64.5	167	-72.2	0	0	110.1	M93	M93-Q95 PolarHBondContact O-N 2.78Å
96	Q	31.4	Very low	31	Very low	198 Å²	198	147.2 Å²	147.2	93%	0.925	79%	0.788	S	S	*	*			trans	-140.9	117.7	152.2	-107.8	178.4	8.5	0	0	109.6
97	E	27	Very low	31.1	Very low	173 Å²	173	147.9 Å²	147.9	81%	0.808	79%	0.788	S	S	*	*			trans	-73.2	153.6	167.4	-52.6	175.7	128.8	0	0	109.4
98	Y	32.2	Very low	31.2	Very low	231 Å²	231	148.7 Å²	148.7	91%	0.906	79%	0.787	S	S	*	*				-172.6	155.4	126.4	-105.6	-66.3	0	0	0	111.6
99	S	26.4	Very low	31.5	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	78%	0.775	S	S	*	*			trans	-98.4	156.5	-163.1	-53.8	0	0	0	0	114.9
100	S	27.6	Very low	31.7	Very low	108 Å²	108	151.8 Å²	151.8	76%	0.755	78%	0.78	S	S	*	*			trans	48	114.4	141.2	61.9	0	0	0	0	120.3
101	V	33	Very low	32.1	Very low	146 Å²	146	147.3 Å²	147.3	89%	0.885	77%	0.77	S	S	*	*			trans	-134.1	136.3	147.1	-178.7	0	0	0	0	108.9
102	T	29	Very low	32.5	Very low	119 Å²	119	142.2 Å²	142.2	73%	0.73	76%	0.759	S	S	*	*			trans	-106.7	-165.5	179.8	44.6	0	0	0	0	111.2
103	E	36.2	Very low	33	Very low	156 Å²	156	142.3 Å²	142.3	73%	0.729	76%	0.76	S	S	*	*			trans	90.4	143.5	164.3	-49.3	-151.1	123.4	0	0	118.1
104	Q	34.5	Very low	33.5	Very low	122 Å²	122	140.2 Å²	140.2	57%	0.57	76%	0.757	S	S	*	*			cis	-164.4	163.9	-20.1	-114.8	-167.9	45.2	0	0	110.2
105	K	35.1	Very low	34	Very low	166 Å²	166	139.6 Å²	139.6	72%	0.722	75%	0.753	S	S	*	*			trans	66.4	152.2	157.2	-76.8	166.6	176.5	158.2	0	117.2
106	S	36.7	Very low	34.6	Very low	98 Å²	98	139.1 Å²	139.1	69%	0.685	75%	0.749	S	S	*	*			cis	-168	167.3	-6.4	42.8	0	0	0	0	107.9
107	E	37.9	Very low	34.9	Very low	141 Å²	141	133 Å²	133	66%	0.659	73%	0.728	S	S	*	*			cis	-166.9	-175.8	-16.3	-100	164	-116	0	0	105.4
108	Q	37.1	Very low	35.4	Very low	162 Å²	162	130.5 Å²	130.5	76%	0.757	72%	0.72	S	S	*	*			cis	-157.1	-159.5	12.9	-143.4	167.4	67.3	0	0	111.1
109	A	36	Very low	35.5	Very low	74 Å²	74	127.6 Å²	127.6	61%	0.612	72%	0.72	S	S	*	*			trans	-25.7	152	165	0	0	0	0	0	119.7
110	E	37.8	Very low	35.9	Very low	183 Å²	183	126.5 Å²	126.5	86%	0.855	72%	0.724	S	S	*	*			cis	-166.9	179.7	3.7	-125.8	-173.1	-84.8	0	0	109.7
111	S	37.2	Very low	36.4	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	73%	0.731	S	S	*	*			cis	-154.6	-159.9	-0.2	64.8	0	0	0	0	111.2
112	A	36.8	Very low	36.7	Very low	79 Å²	79	125.1 Å²	125.1	65%	0.653	73%	0.725	S	S	*	*			trans	-152.5	176.8	173.7	0	0	0	0	0	111.6
113	P	41.7	Very low	37	Very low	123 Å²	123	124.9 Å²	124.9	80%	0.799	73%	0.725	S	S	*	*				-144.2	139.1	90.7	30.6	-11	0	0	0	115.1
114	V	35.7	Very low	36.7	Very low	127 Å²	127	123.1 Å²	123.1	77%	0.77	73%	0.727	S	S	*	*				92.4	141.5	65	172.5	0	0	0	0	115.7
115	L	39.4	Very low	36.6	Very low	156 Å²	156	123.5 Å²	123.5	82%	0.817	74%	0.741	S	S	*	*			trans	103.3	151.6	180	-61.5	179	0	0	0	113.5
116	K	38.5	Very low	36.1	Very low	161 Å²	161	121.4 Å²	121.4	70%	0.7	74%	0.742	S	S	*	*			cis	-174	150.6	-40.1	-116.9	-147.5	141.9	-106.5	0	105.4	D118	K116-D118 IonicContact NZ-OD1 2.72Å; K116-D118 PolarHBondContact NZ-OD1 2.77Å; K116-D118 IonicContact NZ-OD2 2.73Å; K116-D118 PolarHBondContact NZ-OD2 3.48Å
117	S	36.8	Very low	35.7	Very low	71 Å²	71	125.2 Å²	125.2	50%	0.497	75%	0.753	S	S	.	*			cis	172.7	-176.8	-14	45.3	0	0	0	0	111.9
118	D	39.1	Very low	35.1	Very low	119 Å²	119	123.2 Å²	123.2	64%	0.636	76%	0.755	S	S	*	*			trans	81.5	108.5	155.5	-45.7	-45.3	0	0	0	119.5	K116	K116-D118 IonicContact NZ-OD1 2.72Å; K116-D118 PolarHBondContact NZ-OD1 2.77Å; K116-D118 IonicContact NZ-OD2 2.73Å; K116-D118 PolarHBondContact NZ-OD2 3.48Å
119	D	33.3	Very low	34.5	Very low	171 Å²	171	120.9 Å²	120.9	91%	0.914	76%	0.763	S	S	*	*			trans	54.6	133.5	146	-60.2	-31.5	0	0	0	125.3
120	G	34.1	Very low	34	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	77%	0.77	S	S	*	*			trans	134	98.8	154.3	0	0	0	0	0	115.9
121	A	38.3	Very low	33.4	Very low	107 Å²	107	119.8 Å²	119.8	88%	0.884	77%	0.766	S	S	*	*			trans	-111.7	123.4	178.8	0	0	0	0	0	113.4
122	P	39	Very low	32.8	Very low	118 Å²	118	120.1 Å²	120.1	77%	0.766	77%	0.765	S	S	*	*			trans	-107.1	170.3	163.4	1	21.4	0	0	0	113.4
123	P	36.7	Very low	32.3	Very low	114 Å²	114	124 Å²	124	74%	0.74	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-82	169.3	-168.7	-10.7	29.1	0	0	0	115.1
124	P	28.4	Very low	31.8	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.8	140	174	28.9	-35.2	0	0	0	112
125	P	32.4	Very low	31.5	Very low	130 Å²	130	121.9 Å²	121.9	84%	0.844	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-74.8	138.8	-177.2	29.5	-34.5	0	0	0	112.8
126	V	25.8	Very low	31.1	Very low	123 Å²	123	118.9 Å²	118.9	75%	0.745	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-82.1	147.5	178.5	177.5	0	0	0	0	110.9	S128	V126-S128 PolarHBondContact O-N 3.36Å; V126-S128 PolarHBondContact O-OG 3.31Å
127	L	27.7	Very low	30.9	Very low	177 Å²	177	117.3 Å²	117.3	93%	0.927	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-48.2	119.7	173.3	-68.5	172.4	0	0	0	111.6
128	S	24.8	Very low	31.2	Very low	100 Å²	100	120.8 Å²	120.8	70%	0.699	76%	0.763	S	S	*	*			trans	-133.9	117.5	177.7	-61.5	0	0	0	0	109.4	V126 S130	V126-S128 PolarHBondContact O-N 3.36Å; V126-S128 PolarHBondContact O-OG 3.31Å; S128-S130 PolarHBondContact O-N 3.16Å
129	A	25.7	Very low	31.3	Very low	112 Å²	112	122.2 Å²	122.2	93%	0.926	77%	0.77	S	S	*	*			trans	-83.2	103.2	-178.1	0	0	0	0	0	111.1
130	S	25.3	Very low	32	Very low	107 Å²	107	119.7 Å²	119.7	75%	0.748	76%	0.76	S	S	*	*			trans	-122	107.2	173.7	-65.8	0	0	0	0	109.5	S128 P132	S128-S130 PolarHBondContact O-N 3.16Å; S130-P132 VanDerWaalsContact O-CD 3.3Å; S130-P132 WeakPolarHBondContact O-CD 3.5Å
131	V	25.4	Very low	32.7	Very low	128 Å²	128	118.2 Å²	118.2	78%	0.776	74%	0.736	S	S	*	*			trans	-75.3	118.5	176.9	177.1	0	0	0	0	109.5	I133	V131-I133 HydrophobicContact CG1-CG1 4.32Å; V131-I133 PolarHBondContact O-N 2.78Å; V131-I133 VanDerWaalsContact O-N 3.16Å
132	P	24.3	Very low	33.6	Very low	104 Å²	104	116.3 Å²	116.3	68%	0.675	71%	0.714	S	S	*	*			trans	-76.3	104	171.3	-7.4	25.6	0	0	0	108.6	S130 S134	S130-P132 VanDerWaalsContact O-CD 3.3Å; S130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-S134 PolarHBondContact O-N 3.3Å
133	I	27	Very low	34.5	Very low	161 Å²	161	118.5 Å²	118.5	83%	0.826	71%	0.714	S	S	*	*			trans	-77.4	67	167.1	-52.3	-179.8	0	0	0	107.8	V131	V131-I133 HydrophobicContact CG1-CG1 4.32Å; V131-I133 PolarHBondContact O-N 2.78Å; V131-I133 VanDerWaalsContact O-N 3.16Å
134	S	29.6	Very low	35.6	Very low	105 Å²	105	120.4 Å²	120.4	73%	0.734	71%	0.713	S	S	*	*			trans	-116.2	49.9	-173	-57.5	0	0	0	0	111.4	P132	P132-S134 PolarHBondContact O-N 3.3Å
135	S	29.8	Very low	36.9	Very low	101 Å²	101	116.5 Å²	116.5	71%	0.706	69%	0.685	S	S	*	*			trans	-75.6	162.5	150.8	-62.6	0	0	0	0	109.1
136	L	31.6	Very low	38.1	Very low	92 Å²	92	114.5 Å²	114.5	48%	0.482	67%	0.667	S	S	.	*			trans	82	65.5	170.1	-44	177.6	0	0	0	116.6	R138	L136-R138 HydrophobicContact CB-CB 4.49Å; L136-R138 HydrophobicContact CB-CG 4.01Å; L136-R138 HydrophobicContact CD2-CG 4.08Å; L136-R138 HydrophobicContact CG-CG 4.46Å; L136-R138 PolarHBondContact O-N 3Å
137	S	33.3	Very low	40.2	Very low	129 Å²	129	115.2 Å²	115.2	90%	0.902	67%	0.667	S	S	*	*			trans	-66.8	61.3	137.1	44.6	0	0	0	0	110	I139	S137-I139 PolarHBondContact O-N 3.39Å
138	R	43.9	Very low	42.6	Very low	144 Å²	144	109.5 Å²	109.5	54%	0.543	64%	0.637	S	S	.	*			trans	-65.3	127.5	174.8	-92.2	174.5	178	164.7	1.5	108.7	L136 V140	L136-R138 HydrophobicContact CB-CB 4.49Å; L136-R138 HydrophobicContact CB-CG 4.01Å; L136-R138 HydrophobicContact CD2-CG 4.08Å; L136-R138 HydrophobicContact CG-CG 4.46Å; L136-R138 PolarHBondContact O-N 3Å; R138-V140 VanDerWaalsContact C-N 3.32Å; R138-V140 PolarHBondContact O-N 3.1Å
139	I	42.1	Very low	44.9	Very low	149 Å²	149	109 Å²	109	76%	0.764	63%	0.632	S	S	*	*			trans	-58.7	105.1	151.4	-60	173.9	0	0	0	105.3	S137 P141	S137-I139 PolarHBondContact O-N 3.39Å; I139-P141 WeakPolarHBondContact O-CD 3.48Å
140	V	46.8	Very low	47.3	Very low	118 Å²	118	109 Å²	109	72%	0.715	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-68.6	119.1	170.4	178.6	0	0	0	0	105.7	R138 T142	R138-V140 VanDerWaalsContact C-N 3.32Å; R138-V140 PolarHBondContact O-N 3.1Å; V140-T142 PolarHBondContact O-N 3.06Å
141	P	48.5	Very low	49.4	Very low	44 Å²	44	107.6 Å²	107.6	29%	0.286	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-56.7	127.9	179.4	-25.5	35.7	0	0	0	109.8	I139 D145 L146 L155	I139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-D145 HydrophobicContact CB-CB 4.21Å; P141-L146 HydrophobicContact CB-CD1 4.48Å; P141-L146 HydrophobicContact CB-CD2 3.84Å; P141-L146 HydrophobicContact CB-CG 3.89Å; P141-L146 HydrophobicContact CG-CD2 4.47Å; P141-L155 HydrophobicContact CB-CD1 3.93Å; P141-L155 HydrophobicContact CG-CD1 3.89Å; P141-L155 HydrophobicContact CG-CD2 4.14Å
142	T	56.9	Low	51.3	Low	68 Å²	68	104.7 Å²	104.7	42%	0.417	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-68.3	163.7	172.8	66.4	0	0	0	0	109.7	V140 E144 D145 L146	V140-T142 PolarHBondContact O-N 3.06Å; T142-E144 PolarHBondContact O-N 3.07Å; T142-E144 PolarHBondContact OG1-N 3.39Å; T142-D145 WeakPolarHBondContact CB-OD2 3.43Å; T142-D145 WeakPolarHBondContact CG2-OD2 3.41Å; T142-D145 PolarHBondContact N-OD2 3.06Å; T142-D145 PolarHBondContact O-N 3.03Å; T142-D145 PolarHBondContact OG1-N 3.1Å; T142-D145 VanDerWaalsContact OG1-N 3.11Å; T142-D145 PolarHBondContact OG1-OD2 2.85Å; T142-L146 WeakPolarHBondContact O-CG 3.24Å; T142-L146 PolarHBondContact O-N 3.43Å; T142-L146 VanDerWaalsContact O-N 3.08Å
143	E	58	Low	53.6	Low	164 Å²	164	106.8 Å²	106.8	77%	0.766	57%	0.567	S	S	*	*	H	α-helix	trans	-58.4	-27.6	171.1	-65.1	-168.3	145.6	0	0	111.5	N147	E143-N147 PolarHBondContact O-N 3.16Å; E143-N147 PolarHBondContact O-ND2 2.79Å
144	E	61.3	Low	55.7	Low	154 Å²	154	104 Å²	104	72%	0.72	55%	0.553	S	S	*	*	H	α-helix	trans	-70.6	-37.7	174.1	-55.6	-172.9	165.3	0	0	112.3	T142 L146 N147 D148	T142-E144 PolarHBondContact O-N 3.07Å; T142-E144 PolarHBondContact OG1-N 3.39Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-N147 PolarHBondContact O-N 2.87Å; E144-D148 PolarHBondContact O-N 3.25Å
145	D	54.3	Low	57.5	Low	36 Å²	36	101.5 Å²	101.5	19%	0.193	53%	0.531	C	S	.	.	H	α-helix	trans	-72.3	-25.6	176.9	-55.7	-52.3	0	0	0	113.2	P141 T142 K151 L155	P141-D145 HydrophobicContact CB-CB 4.21Å; T142-D145 WeakPolarHBondContact CB-OD2 3.43Å; T142-D145 WeakPolarHBondContact CG2-OD2 3.41Å; T142-D145 PolarHBondContact N-OD2 3.06Å; T142-D145 PolarHBondContact O-N 3.03Å; T142-D145 PolarHBondContact OG1-N 3.1Å; T142-D145 VanDerWaalsContact OG1-N 3.11Å; T142-D145 PolarHBondContact OG1-OD2 2.85Å; D145-K151 HydrophobicContact CB-CD 4.13Å; D145-K151 VanDerWaalsContact OD1-CD 3.28Å; D145-K151 WeakPolarHBondContact OD1-CD 3.43Å; D145-K151 WeakPolarHBondContact OD1-CE 3.04Å; D145-K151 IonicContact OD1-NZ 3.45Å; D145-K151 PolarHBondContact OD1-NZ 2.6Å; D145-L155 HydrophobicContact CB-CD1 4.47Å
146	L	59.1	Low	59.5	Low	89 Å²	89	101.3 Å²	101.3	47%	0.466	52%	0.521	S	S	.	.	H	α-helix	trans	-82	-23.8	176.2	-67.4	172.5	0	0	0	113.2	P141 T142 E144 L152	P141-L146 HydrophobicContact CB-CD1 4.48Å; P141-L146 HydrophobicContact CB-CD2 3.84Å; P141-L146 HydrophobicContact CB-CG 3.89Å; P141-L146 HydrophobicContact CG-CD2 4.47Å; T142-L146 WeakPolarHBondContact O-CG 3.24Å; T142-L146 PolarHBondContact O-N 3.43Å; T142-L146 VanDerWaalsContact O-N 3.08Å; E144-L146 VanDerWaalsContact C-N 3.33Å; L146-L152 HydrophobicContact CD2-CD1 4.02Å
147	N	69.4	Low	61.5	Low	138 Å²	138	100.8 Å²	100.8	74%	0.738	52%	0.519	S	S	*	.	H	α-helix	trans	-88.7	-17.4	178.8	-80.9	-63.7	0	0	0	113.7	E143 E144	E143-N147 PolarHBondContact O-N 3.16Å; E143-N147 PolarHBondContact O-ND2 2.79Å; E144-N147 PolarHBondContact O-N 2.87Å
148	D	76.9	Confident	63.2	Low	57 Å²	57	98.9 Å²	98.9	31%	0.305	50%	0.496	S	S	.	.			trans	-85.2	116.1	174.8	179.8	-26.6	0	0	0	110.5	E144 E150 K151 L152	E144-D148 PolarHBondContact O-N 3.25Å; D148-E150 VanDerWaalsContact C-N 3.26Å; D148-E150 PolarHBondContact O-N 3.41Å; D148-E150 WeakPolarHBondContact OD1-CA 3.47Å; D148-E150 WeakPolarHBondContact OD1-CB 3.5Å; D148-E150 PolarHBondContact OD1-N 3.5Å; D148-K151 HydrophobicContact CB-CB 3.98Å; D148-K151 HydrophobicContact CB-CD 3.86Å; D148-K151 HydrophobicContact CB-CG 4Å; D148-K151 PolarHBondContact O-N 3.31Å; D148-K151 PolarHBondContact OD1-N 2.75Å; D148-K151 VanDerWaalsContact OD1-N 3.16Å; D148-K151 WeakPolarHBondContact OD2-CG 3.48Å; D148-L152 VanDerWaalsContact O-CB 3.29Å; D148-L152 WeakPolarHBondContact O-CB 2.82Å; D148-L152 PolarHBondContact O-N 3Å
149	P	73.1	Confident	64.3	Low	89 Å²	89	95 Å²	95	58%	0.578	49%	0.488	S	S	*	.	H	α-helix	trans	-70.4	-18.4	-176.1	30.4	-36.3	0	0	0	113.9	R153	P149-R153 WeakPolarHBondContact O-CD 3.25Å; P149-R153 VanDerWaalsContact O-CG 3.25Å; P149-R153 WeakPolarHBondContact O-CG 3.25Å; P149-R153 PolarHBondContact O-N 2.91Å
150	E	75.8	Confident	65.9	Low	112 Å²	112	95.1 Å²	95.1	52%	0.523	48%	0.479	S	S	.	.	H	α-helix	trans	-81.9	-46.5	176.1	-142.6	69.7	-112.9	0	0	109.8	D148 L152 R153 I154	D148-E150 VanDerWaalsContact C-N 3.26Å; D148-E150 PolarHBondContact O-N 3.41Å; D148-E150 WeakPolarHBondContact OD1-CA 3.47Å; D148-E150 WeakPolarHBondContact OD1-CB 3.5Å; D148-E150 PolarHBondContact OD1-N 3.5Å; E150-L152 PolarHBondContact O-N 2.82Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 3.07Å; E150-R153 IonicContact OE1-NH1 2.63Å; E150-R153 PolarHBondContact OE1-NH1 3.18Å; E150-R153 IonicContact OE2-NH1 3.13Å; E150-I154 WeakPolarHBondContact O-CG1 3.49Å; E150-I154 PolarHBondContact O-N 3.39Å; E150-I154 VanDerWaalsContact O-N 3.11Å
151	K	70.3	Confident	67.3	Low	78 Å²	78	95.3 Å²	95.3	34%	0.339	47%	0.467	S	S	.	.	H	α-helix	trans	-61	-42.4	172.5	-69.1	-179.7	-177.8	-177.6	0	112.4	D145 D148 R153 I154 L155	D145-K151 HydrophobicContact CB-CD 4.13Å; D145-K151 VanDerWaalsContact OD1-CD 3.28Å; D145-K151 WeakPolarHBondContact OD1-CD 3.43Å; D145-K151 WeakPolarHBondContact OD1-CE 3.04Å; D145-K151 IonicContact OD1-NZ 3.45Å; D145-K151 PolarHBondContact OD1-NZ 2.6Å; D148-K151 HydrophobicContact CB-CB 3.98Å; D148-K151 HydrophobicContact CB-CD 3.86Å; D148-K151 HydrophobicContact CB-CG 4Å; D148-K151 PolarHBondContact O-N 3.31Å; D148-K151 PolarHBondContact OD1-N 2.75Å; D148-K151 VanDerWaalsContact OD1-N 3.16Å; D148-K151 WeakPolarHBondContact OD2-CG 3.48Å; K151-R153 VanDerWaalsContact C-N 3.29Å; K151-R153 PolarHBondContact O-N 3.22Å; K151-I154 PolarHBondContact O-N 2.9Å; K151-I154 VanDerWaalsContact O-N 3.13Å; K151-L155 WeakPolarHBondContact O-CG 3.36Å; K151-L155 PolarHBondContact O-N 3.49Å
152	L	65.9	Low	68.3	Low	67 Å²	67	96.4 Å²	96.4	35%	0.351	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-37.3	178.9	-171.9	68.9	0	0	0	111.8	L146 D148 E150 I156	L146-L152 HydrophobicContact CD2-CD1 4.02Å; D148-L152 VanDerWaalsContact O-CB 3.29Å; D148-L152 WeakPolarHBondContact O-CB 2.82Å; D148-L152 PolarHBondContact O-N 3Å; E150-L152 PolarHBondContact O-N 2.82Å; L152-I156 HydrophobicContact CG-CD1 4.26Å; L152-I156 WeakPolarHBondContact O-CD1 3.33Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.85Å; L152-I156 VanDerWaalsContact O-N 3.08Å
153	R	72	Confident	69.2	Low	148 Å²	148	97.7 Å²	97.7	56%	0.558	47%	0.472	S	S	*	.	H	α-helix	trans	-64.5	-45.8	172	-75.5	166.9	176.7	171.5	-0.2	112.2	P149 E150 K151 L155 I156 D157	P149-R153 WeakPolarHBondContact O-CD 3.25Å; P149-R153 VanDerWaalsContact O-CG 3.25Å; P149-R153 WeakPolarHBondContact O-CG 3.25Å; P149-R153 PolarHBondContact O-N 2.91Å; E150-R153 WeakPolarHBondContact O-CB 3.36Å; E150-R153 PolarHBondContact O-N 3.07Å; E150-R153 IonicContact OE1-NH1 2.63Å; E150-R153 PolarHBondContact OE1-NH1 3.18Å; E150-R153 IonicContact OE2-NH1 3.13Å; K151-R153 VanDerWaalsContact C-N 3.29Å; K151-R153 PolarHBondContact O-N 3.22Å; R153-L155 VanDerWaalsContact C-N 3.33Å; R153-L155 PolarHBondContact O-N 3.23Å; R153-I156 PolarHBondContact O-N 3.01Å; R153-I156 VanDerWaalsContact O-N 3.13Å; R153-D157 PolarHBondContact O-N 3Å
154	I	72	Confident	70.2	Confident	101 Å²	101	95.3 Å²	95.3	52%	0.518	46%	0.46	S	S	.	.	H	α-helix	trans	-58	-47.6	177.8	-66.4	164.6	0	0	0	109.8	E150 K151 I156 D157 E158	E150-I154 WeakPolarHBondContact O-CG1 3.49Å; E150-I154 PolarHBondContact O-N 3.39Å; E150-I154 VanDerWaalsContact O-N 3.11Å; K151-I154 PolarHBondContact O-N 2.9Å; K151-I154 VanDerWaalsContact O-N 3.13Å; I154-I156 VanDerWaalsContact C-N 3.31Å; I154-I156 PolarHBondContact O-N 3.11Å; I154-D157 PolarHBondContact O-N 3.41Å; I154-E158 WeakPolarHBondContact O-CB 3.49Å; I154-E158 PolarHBondContact O-N 3.19Å
155	L	66.7	Low	70.9	Confident	54 Å²	54	93 Å²	93	28%	0.283	45%	0.45	S	S	.	.	H	α-helix	trans	-58.4	-38.5	175.4	-73.9	165.6	0	0	0	113.1	P141 D145 K151 R153 T159	P141-L155 HydrophobicContact CB-CD1 3.93Å; P141-L155 HydrophobicContact CG-CD1 3.89Å; P141-L155 HydrophobicContact CG-CD2 4.14Å; D145-L155 HydrophobicContact CB-CD1 4.47Å; K151-L155 WeakPolarHBondContact O-CG 3.36Å; K151-L155 PolarHBondContact O-N 3.49Å; R153-L155 VanDerWaalsContact C-N 3.33Å; R153-L155 PolarHBondContact O-N 3.23Å; L155-T159 WeakPolarHBondContact O-CB 3.35Å; L155-T159 WeakPolarHBondContact O-CG2 3.2Å; L155-T159 PolarHBondContact O-N 3.22Å; L155-T159 PolarHBondContact O-OG1 2.81Å
156	I	72.1	Confident	71.8	Confident	96 Å²	96	96.4 Å²	96.4	49%	0.492	46%	0.463	S	S	.	.	H	α-helix	trans	-67.9	-43.6	176.1	-71.1	164.3	0	0	0	111.4	L152 R153 I154 T159 R160	L152-I156 HydrophobicContact CG-CD1 4.26Å; L152-I156 WeakPolarHBondContact O-CD1 3.33Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 2.85Å; L152-I156 VanDerWaalsContact O-N 3.08Å; R153-I156 PolarHBondContact O-N 3.01Å; R153-I156 VanDerWaalsContact O-N 3.13Å; I154-I156 VanDerWaalsContact C-N 3.31Å; I154-I156 PolarHBondContact O-N 3.11Å; I156-T159 PolarHBondContact O-OG1 2.85Å; I156-T159 VanDerWaalsContact O-OG1 3.11Å; I156-R160 WeakPolarHBondContact O-CB 3.44Å; I156-R160 PolarHBondContact O-N 3.11Å
157	D	72.8	Confident	72.8	Confident	82 Å²	82	96.5 Å²	96.5	44%	0.439	46%	0.463	S	S	.	.	H	α-helix	trans	-75.7	-27.7	179.1	-82	-31.5	0	0	0	113.3	R153 I154 R161	R153-D157 PolarHBondContact O-N 3Å; I154-D157 PolarHBondContact O-N 3.41Å; D157-R161 PolarHBondContact O-N 3.31Å; D157-R161 PolarHBondContact O-NE 3.06Å
158	E	69.8	Low	73.3	Confident	89 Å²	89	96 Å²	96	42%	0.416	46%	0.455	S	S	.	.	H	α-helix	trans	-66.7	-51.4	171	-150.6	70.4	-119.5	0	0	110.6	I154 R160 R161 E162	I154-E158 WeakPolarHBondContact O-CB 3.49Å; I154-E158 PolarHBondContact O-N 3.19Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.02Å; E158-R161 PolarHBondContact O-N 3.07Å; E158-R161 VanDerWaalsContact O-N 3.13Å; E158-R161 IonicContact OE1-CZ 3.49Å; E158-R161 IonicContact OE1-NH1 3.57Å; E158-R161 PolarHBondContact OE1-NH1 3.44Å; E158-R161 IonicContact OE1-NH2 3.91Å; E158-R161 PolarHBondContact OE1-NH2 3.02Å; E158-R161 VanDerWaalsContact OE1-NH2 3.11Å; E158-R161 IonicContact OE2-CZ 2.89Å; E158-R161 IonicContact OE2-NH1 3.47Å; E158-R161 IonicContact OE2-NH2 2.72Å; E158-R161 PolarHBondContact OE2-NH2 3.24Å; E158-E162 PolarHBondContact O-N 3.31Å
159	T	66.4	Low	73.2	Confident	63 Å²	63	100.6 Å²	100.6	39%	0.387	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-31.8	177.4	51.4	0	0	0	0	112.7	L155 I156 E162 I163	L155-T159 WeakPolarHBondContact O-CB 3.35Å; L155-T159 WeakPolarHBondContact O-CG2 3.2Å; L155-T159 PolarHBondContact O-N 3.22Å; L155-T159 PolarHBondContact O-OG1 2.81Å; I156-T159 PolarHBondContact O-OG1 2.85Å; I156-T159 VanDerWaalsContact O-OG1 3.11Å; T159-E162 WeakPolarHBondContact O-CB 3.13Å; T159-E162 PolarHBondContact O-N 3.41Å; T159-I163 WeakPolarHBondContact O-CD1 3.32Å; T159-I163 VanDerWaalsContact O-CG1 3.31Å; T159-I163 WeakPolarHBondContact O-CG1 3.38Å; T159-I163 PolarHBondContact O-N 2.93Å; T159-I163 VanDerWaalsContact O-N 3.09Å
160	R	75.6	Confident	73.2	Confident	151 Å²	151	99.5 Å²	99.5	57%	0.57	46%	0.463	S	S	*	.	H	α-helix	trans	-65.7	-39.9	171.1	-171.1	179.4	-173.8	-173.2	3.8	112.6	I156 E158 I163 Q164	I156-R160 WeakPolarHBondContact O-CB 3.44Å; I156-R160 PolarHBondContact O-N 3.11Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.02Å; R160-I163 PolarHBondContact O-N 3.26Å; R160-Q164 WeakPolarHBondContact O-CG 3.39Å; R160-Q164 PolarHBondContact O-N 3.06Å; R160-Q164 VanDerWaalsContact O-N 3.09Å
161	R	76.7	Confident	73.5	Confident	121 Å²	121	99.2 Å²	99.2	46%	0.457	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-42.5	172.6	-88	-179.2	-76.3	123.4	6.3	112	D157 E158 I163 Q164 E165	D157-R161 PolarHBondContact O-N 3.31Å; D157-R161 PolarHBondContact O-NE 3.06Å; E158-R161 PolarHBondContact O-N 3.07Å; E158-R161 VanDerWaalsContact O-N 3.13Å; E158-R161 IonicContact OE1-CZ 3.49Å; E158-R161 IonicContact OE1-NH1 3.57Å; E158-R161 PolarHBondContact OE1-NH1 3.44Å; E158-R161 IonicContact OE1-NH2 3.91Å; E158-R161 PolarHBondContact OE1-NH2 3.02Å; E158-R161 VanDerWaalsContact OE1-NH2 3.11Å; E158-R161 IonicContact OE2-CZ 2.89Å; E158-R161 IonicContact OE2-NH1 3.47Å; E158-R161 IonicContact OE2-NH2 2.72Å; E158-R161 PolarHBondContact OE2-NH2 3.24Å; R161-I163 VanDerWaalsContact C-N 3.31Å; R161-I163 PolarHBondContact O-N 2.6Å; R161-Q164 PolarHBondContact O-N 3.05Å; R161-E165 PolarHBondContact O-N 3.25Å
162	E	70	Confident	73.8	Confident	68 Å²	68	100.5 Å²	100.5	32%	0.318	47%	0.469	S	S	.	.	H	α-helix	trans	-54	-45.8	172.7	-93.4	-162.4	-140.9	0	0	112.4	E158 T159 E165 K166	E158-E162 PolarHBondContact O-N 3.31Å; T159-E162 WeakPolarHBondContact O-CB 3.13Å; T159-E162 PolarHBondContact O-N 3.41Å; E162-E165 PolarHBondContact O-N 3.32Å; E162-K166 WeakPolarHBondContact O-CB 3.47Å; E162-K166 WeakPolarHBondContact O-CD 3.31Å; E162-K166 VanDerWaalsContact O-CG 3.3Å; E162-K166 WeakPolarHBondContact O-CG 3.5Å; E162-K166 PolarHBondContact O-N 3.05Å; E162-K166 IonicContact OE2-NZ 3.39Å; E162-K166 PolarHBondContact OE2-NZ 3.25Å
163	I	75.4	Confident	74	Confident	95 Å²	95	103.2 Å²	103.2	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-65	-48.9	-179.8	-68.8	163.5	0	0	0	109.9	T159 R160 R161 E165 K166 D167	T159-I163 WeakPolarHBondContact O-CD1 3.32Å; T159-I163 VanDerWaalsContact O-CG1 3.31Å; T159-I163 WeakPolarHBondContact O-CG1 3.38Å; T159-I163 PolarHBondContact O-N 2.93Å; T159-I163 VanDerWaalsContact O-N 3.09Å; R160-I163 PolarHBondContact O-N 3.26Å; R161-I163 VanDerWaalsContact C-N 3.31Å; R161-I163 PolarHBondContact O-N 2.6Å; I163-E165 VanDerWaalsContact C-N 3.29Å; I163-E165 PolarHBondContact O-N 3.1Å; I163-K166 PolarHBondContact O-N 3.37Å; I163-D167 VanDerWaalsContact O-CG 3.28Å; I163-D167 PolarHBondContact O-N 3.19Å
164	Q	77.7	Confident	74.4	Confident	114 Å²	114	99 Å²	99	53%	0.533	48%	0.478	S	S	.	.	H	α-helix	trans	-59.8	-36.6	177.8	-72.7	179.3	-18.4	0	0	113.1	R160 R161 K168	R160-Q164 WeakPolarHBondContact O-CG 3.39Å; R160-Q164 PolarHBondContact O-N 3.06Å; R160-Q164 VanDerWaalsContact O-N 3.09Å; R161-Q164 PolarHBondContact O-N 3.05Å; Q164-K168 VanDerWaalsContact O-CB 3.26Å; Q164-K168 WeakPolarHBondContact O-CB 3.45Å; Q164-K168 PolarHBondContact O-N 2.85Å
165	E	76.5	Confident	74.7	Confident	106 Å²	106	99.2 Å²	99.2	50%	0.495	48%	0.476	S	S	.	.	H	α-helix	trans	-69.2	-39.5	172.7	-80.2	-151.6	-162.6	0	0	113.1	R161 E162 I163 R169	R161-E165 PolarHBondContact O-N 3.25Å; E162-E165 PolarHBondContact O-N 3.32Å; I163-E165 VanDerWaalsContact C-N 3.29Å; I163-E165 PolarHBondContact O-N 3.1Å; E165-R169 WeakPolarHBondContact O-CB 3.47Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.08Å; E165-R169 IonicContact OE2-CZ 2.6Å; E165-R169 IonicContact OE2-NE 2.67Å; E165-R169 IonicContact OE2-NH2 2.74Å; E165-R169 PolarHBondContact OE2-NH2 2.74Å
166	K	73.2	Confident	74.8	Confident	106 Å²	106	105.2 Å²	105.2	46%	0.461	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-44.9	176.6	-76.1	162.8	-179.2	165.7	0	111.3	E162 I163 R169 S170	E162-K166 WeakPolarHBondContact O-CB 3.47Å; E162-K166 WeakPolarHBondContact O-CD 3.31Å; E162-K166 VanDerWaalsContact O-CG 3.3Å; E162-K166 WeakPolarHBondContact O-CG 3.5Å; E162-K166 PolarHBondContact O-N 3.05Å; E162-K166 IonicContact OE2-NZ 3.39Å; E162-K166 PolarHBondContact OE2-NZ 3.25Å; I163-K166 PolarHBondContact O-N 3.37Å; K166-R169 PolarHBondContact O-N 2.99Å; K166-S170 WeakPolarHBondContact O-CB 3.46Å; K166-S170 PolarHBondContact O-N 2.98Å
167	D	80.2	Confident	74.8	Confident	91 Å²	91	106.7 Å²	106.7	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-50.6	175.5	-66.3	-19.4	0	0	0	110.4	I163 R169 S170 E171	I163-D167 VanDerWaalsContact O-CG 3.28Å; I163-D167 PolarHBondContact O-N 3.19Å; D167-R169 PolarHBondContact O-N 3.43Å; D167-S170 WeakPolarHBondContact O-CA 3.38Å; D167-S170 WeakPolarHBondContact O-CB 3.38Å; D167-S170 PolarHBondContact O-N 2.91Å; D167-S170 VanDerWaalsContact O-N 3.09Å; D167-S170 PolarHBondContact O-OG 3.24Å; D167-E171 PolarHBondContact O-N 2.78Å
168	K	80.7	Confident	74.9	Confident	129 Å²	129	107.9 Å²	107.9	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-59.9	-44.4	177.2	-178.6	-178.3	169.3	-171.8	0	112.9	Q164 S170 E171 E172	Q164-K168 VanDerWaalsContact O-CB 3.26Å; Q164-K168 WeakPolarHBondContact O-CB 3.45Å; Q164-K168 PolarHBondContact O-N 2.85Å; K168-S170 VanDerWaalsContact C-N 3.28Å; K168-S170 PolarHBondContact O-N 3.03Å; K168-E171 PolarHBondContact O-N 2.73Å; K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 IonicContact NZ-OE1 3.04Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 2.89Å
169	R	74.2	Confident	74.9	Confident	152 Å²	152	109.1 Å²	109.1	57%	0.574	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-37.3	175.2	-71.4	170.8	-163.9	-154.4	8.5	110.8	E165 K166 D167 E172 I173	E165-R169 WeakPolarHBondContact O-CB 3.47Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.08Å; E165-R169 IonicContact OE2-CZ 2.6Å; E165-R169 IonicContact OE2-NE 2.67Å; E165-R169 IonicContact OE2-NH2 2.74Å; E165-R169 PolarHBondContact OE2-NH2 2.74Å; K166-R169 PolarHBondContact O-N 2.99Å; D167-R169 PolarHBondContact O-N 3.43Å; R169-E172 PolarHBondContact O-N 2.83Å; R169-I173 WeakPolarHBondContact O-CD1 3.45Å; R169-I173 VanDerWaalsContact O-CG1 3.26Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 2.89Å
170	S	73.9	Confident	74.9	Confident	67 Å²	67	110 Å²	110	47%	0.469	51%	0.506	S	S	.	.	H	α-helix	trans	-66.7	-41.6	175.9	84.8	0	0	0	0	112.4	K166 D167 K168 I173 A174	K166-S170 WeakPolarHBondContact O-CB 3.46Å; K166-S170 PolarHBondContact O-N 2.98Å; D167-S170 WeakPolarHBondContact O-CA 3.38Å; D167-S170 WeakPolarHBondContact O-CB 3.38Å; D167-S170 PolarHBondContact O-N 2.91Å; D167-S170 VanDerWaalsContact O-N 3.09Å; D167-S170 PolarHBondContact O-OG 3.24Å; K168-S170 VanDerWaalsContact C-N 3.28Å; K168-S170 PolarHBondContact O-N 3.03Å; S170-I173 PolarHBondContact O-N 3.18Å; S170-A174 WeakPolarHBondContact O-CB 3.46Å; S170-A174 PolarHBondContact O-N 3.33Å
171	E	82.1	Confident	74.6	Confident	106 Å²	106	107 Å²	107	50%	0.495	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-42.9	173.1	-80.7	-166.1	-156.6	0	0	112.2	D167 K168 A174 K175	D167-E171 PolarHBondContact O-N 2.78Å; K168-E171 PolarHBondContact O-N 2.73Å; E171-A174 PolarHBondContact O-N 2.67Å; E171-K175 WeakPolarHBondContact O-CB 3.34Å; E171-K175 WeakPolarHBondContact O-CD 3.45Å; E171-K175 WeakPolarHBondContact O-CG 3.32Å; E171-K175 PolarHBondContact O-N 3.12Å; E171-K175 IonicContact OE2-NZ 2.68Å; E171-K175 PolarHBondContact OE2-NZ 2.99Å
172	E	74.8	Confident	74.3	Confident	105 Å²	105	109.1 Å²	109.1	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-39.5	178.4	-74.5	176.7	-173.2	0	0	111.4	K168 R169 R176	K168-E172 WeakPolarHBondContact CE-OE1 3.49Å; K168-E172 IonicContact NZ-OE1 3.04Å; K168-E172 WeakPolarHBondContact O-CG 3.48Å; K168-E172 PolarHBondContact O-N 2.89Å; R169-E172 PolarHBondContact O-N 2.83Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.03Å; E172-R176 PolarHBondContact O-N 3.17Å
173	I	71.5	Confident	73.8	Confident	123 Å²	123	107.6 Å²	107.6	63%	0.631	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-45.2	172.5	-69.5	165.2	0	0	0	111	R169 S170 R176 K177	R169-I173 WeakPolarHBondContact O-CD1 3.45Å; R169-I173 VanDerWaalsContact O-CG1 3.26Å; R169-I173 WeakPolarHBondContact O-CG1 3.33Å; R169-I173 PolarHBondContact O-N 2.89Å; S170-I173 PolarHBondContact O-N 3.18Å; I173-R176 PolarHBondContact O-N 2.85Å; I173-K177 PolarHBondContact O-N 3.09Å
174	A	79.1	Confident	73.3	Confident	59 Å²	59	103.7 Å²	103.7	49%	0.488	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-47.8	179	0	0	0	0	0	112.1	S170 E171 R176 K177 E178	S170-A174 WeakPolarHBondContact O-CB 3.46Å; S170-A174 PolarHBondContact O-N 3.33Å; E171-A174 PolarHBondContact O-N 2.67Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.81Å; A174-K177 WeakPolarHBondContact O-CB 3.3Å; A174-K177 PolarHBondContact O-N 3.28Å; A174-K177 VanDerWaalsContact O-N 3.11Å; A174-E178 PolarHBondContact O-N 2.99Å
175	K	78.7	Confident	72.8	Confident	106 Å²	106	105.1 Å²	105.1	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-60	-38.4	175.2	-69.4	161	-168.1	167.2	0	111.6	E171 E178 L179	E171-K175 WeakPolarHBondContact O-CB 3.34Å; E171-K175 WeakPolarHBondContact O-CD 3.45Å; E171-K175 WeakPolarHBondContact O-CG 3.32Å; E171-K175 PolarHBondContact O-N 3.12Å; E171-K175 IonicContact OE2-NZ 2.68Å; E171-K175 PolarHBondContact OE2-NZ 2.99Å; K175-E178 PolarHBondContact O-N 3.01Å; K175-L179 WeakPolarHBondContact O-CB 3.4Å; K175-L179 VanDerWaalsContact O-CG 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.43Å; K175-L179 PolarHBondContact O-N 2.99Å
176	R	69.5	Low	72.1	Confident	181 Å²	181	105.6 Å²	105.6	68%	0.683	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-31.2	176.7	-156.2	170.2	-164.7	158.2	4.5	112.5	E172 I173 A174 W180	E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.03Å; E172-R176 PolarHBondContact O-N 3.17Å; I173-R176 PolarHBondContact O-N 2.85Å; A174-R176 VanDerWaalsContact C-N 3.29Å; A174-R176 PolarHBondContact O-N 2.81Å; R176-W180 WeakPolarHBondContact O-CB 3.34Å; R176-W180 PolarHBondContact O-N 3.01Å
177	K	71.6	Confident	71.5	Confident	126 Å²	126	101.2 Å²	101.2	55%	0.548	47%	0.469	S	S	.	.	H	α-helix	trans	-70	-47.6	171.5	-168.8	179.6	-172.7	-96	0	111.7	I173 A174 L179 W180 E181	I173-K177 PolarHBondContact O-N 3.09Å; A174-K177 WeakPolarHBondContact O-CB 3.3Å; A174-K177 PolarHBondContact O-N 3.28Å; A174-K177 VanDerWaalsContact O-N 3.11Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.02Å; K177-W180 WeakPolarHBondContact O-CB 3.44Å; K177-W180 PolarHBondContact O-N 3.49Å; K177-W180 VanDerWaalsContact O-N 3.08Å; K177-E181 VanDerWaalsContact CE-OE1 3.31Å; K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 WeakPolarHBondContact CG-OE1 3.39Å; K177-E181 IonicContact NZ-OE1 3.41Å; K177-E181 PolarHBondContact NZ-OE1 3.43Å; K177-E181 WeakPolarHBondContact O-CG 3.45Å; K177-E181 PolarHBondContact O-N 3.4Å
178	E	75.9	Confident	70.4	Confident	107 Å²	107	96.9 Å²	96.9	50%	0.5	45%	0.446	S	S	.	.	H	α-helix	trans	-57.6	-45.2	177	-168.3	-154.5	143.5	0	0	111.6	A174 K175 W180 E181 R182	A174-E178 PolarHBondContact O-N 2.99Å; K175-E178 PolarHBondContact O-N 3.01Å; E178-W180 VanDerWaalsContact C-N 3.31Å; E178-W180 PolarHBondContact O-N 3.07Å; E178-E181 PolarHBondContact O-N 3.33Å; E178-R182 WeakPolarHBondContact O-CB 3.45Å; E178-R182 PolarHBondContact O-N 3.29Å
179	L	70.1	Confident	69.4	Low	116 Å²	116	93.8 Å²	93.8	61%	0.607	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-36.1	176	-73.4	169.8	0	0	0	112.7	K175 K177 R183	K175-L179 WeakPolarHBondContact O-CB 3.4Å; K175-L179 VanDerWaalsContact O-CG 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.43Å; K175-L179 PolarHBondContact O-N 2.99Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.02Å; L179-R183 VanDerWaalsContact O-CB 3.23Å; L179-R183 WeakPolarHBondContact O-CB 3.24Å; L179-R183 PolarHBondContact O-N 3.25Å
180	W	65.1	Low	68.4	Low	80 Å²	80	89.2 Å²	89.2	30%	0.303	43%	0.432	S	S	.	.	H	α-helix	trans	-69.9	-47.8	176.1	-178.6	79.2	0	0	0	111.8	R176 K177 E178 R182 R183 N184	R176-W180 WeakPolarHBondContact O-CB 3.34Å; R176-W180 PolarHBondContact O-N 3.01Å; K177-W180 WeakPolarHBondContact O-CB 3.44Å; K177-W180 PolarHBondContact O-N 3.49Å; K177-W180 VanDerWaalsContact O-N 3.08Å; E178-W180 VanDerWaalsContact C-N 3.31Å; E178-W180 PolarHBondContact O-N 3.07Å; W180-R182 VanDerWaalsContact C-N 3.34Å; W180-R182 PolarHBondContact O-N 3Å; W180-R183 PolarHBondContact O-N 3.48Å; W180-N184 VanDerWaalsContact CE2-ND2 3.26Å; W180-N184 VanDerWaalsContact CH2-ND2 3.29Å; W180-N184 WeakPolarHBondContact CH2-ND2 3.46Å; W180-N184 WeakPolarHBondContact CZ2-ND2 3.26Å; W180-N184 PolarHBondContact O-N 3.38Å; W180-N184 PolarHBondContact O-OD1 3.47Å
181	E	70.1	Confident	67.7	Low	90 Å²	90	86.9 Å²	86.9	42%	0.421	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-43.8	176.1	-70.3	173	-171.8	0	0	111.7	K177 E178 N184 K185	K177-E181 VanDerWaalsContact CE-OE1 3.31Å; K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 WeakPolarHBondContact CG-OE1 3.39Å; K177-E181 IonicContact NZ-OE1 3.41Å; K177-E181 PolarHBondContact NZ-OE1 3.43Å; K177-E181 WeakPolarHBondContact O-CG 3.45Å; K177-E181 PolarHBondContact O-N 3.4Å; E178-E181 PolarHBondContact O-N 3.33Å; E181-N184 PolarHBondContact O-N 2.67Å; E181-K185 WeakPolarHBondContact O-CB 3.46Å; E181-K185 PolarHBondContact O-N 3.36Å
182	R	69.4	Low	66.5	Low	164 Å²	164	83.6 Å²	83.6	62%	0.619	40%	0.402	S	S	*	.	H	α-helix	trans	-65.6	-37.4	176.8	-169.7	173.6	-177.1	168.9	0.3	112.4	E178 W180 L186	E178-R182 WeakPolarHBondContact O-CB 3.45Å; E178-R182 PolarHBondContact O-N 3.29Å; W180-R182 VanDerWaalsContact C-N 3.34Å; W180-R182 PolarHBondContact O-N 3Å; R182-L186 WeakPolarHBondContact O-CG 3.36Å; R182-L186 PolarHBondContact O-N 3.4Å
183	R	60.4	Low	65.6	Low	36 Å²	36	86.9 Å²	86.9	14%	0.136	41%	0.414	C	S	.	.	H	α-helix	trans	-67.8	-45.1	174.2	179.3	176.1	171.7	117	-24.5	111.4	L179 W180 K185 L186 I187 L207 A210	L179-R183 VanDerWaalsContact O-CB 3.23Å; L179-R183 WeakPolarHBondContact O-CB 3.24Å; L179-R183 PolarHBondContact O-N 3.25Å; W180-R183 PolarHBondContact O-N 3.48Å; R183-K185 PolarHBondContact O-N 3.17Å; R183-L186 WeakPolarHBondContact O-CB 3.46Å; R183-L186 PolarHBondContact O-N 2.88Å; R183-I187 HydrophobicContact CG-CD1 4.06Å; R183-I187 WeakPolarHBondContact O-CG1 3.45Å; R183-I187 PolarHBondContact O-N 3.08Å; R183-L207 HydrophobicContact CG-CD1 3.87Å; R183-A210 VanDerWaalsContact NH1-CB 3.27Å; R183-A210 PolarHBondContact NH2-O 3.39Å
184	N	64.1	Low	64.6	Low	13 Å²	13	86.2 Å²	86.2	7%	0.07	42%	0.416	C	S	.	.	H	α-helix	trans	-58.8	-48.5	175.8	-72	1.9	0	0	0	110.9	W180 E181 L186 I187 S188	W180-N184 VanDerWaalsContact CE2-ND2 3.26Å; W180-N184 VanDerWaalsContact CH2-ND2 3.29Å; W180-N184 WeakPolarHBondContact CH2-ND2 3.46Å; W180-N184 WeakPolarHBondContact CZ2-ND2 3.26Å; W180-N184 PolarHBondContact O-N 3.38Å; W180-N184 PolarHBondContact O-OD1 3.47Å; E181-N184 PolarHBondContact O-N 2.67Å; N184-L186 PolarHBondContact O-N 2.76Å; N184-I187 WeakPolarHBondContact O-CB 3.47Å; N184-I187 PolarHBondContact O-N 3.4Å; N184-S188 PolarHBondContact O-N 3.1Å; N184-S188 PolarHBondContact O-OG 2.82Å
185	K	66.8	Low	63.2	Low	144 Å²	144	85.7 Å²	85.7	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-57.7	-36.3	177.4	-168.5	166.2	-173.9	166.3	0	112.8	E181 R183 T189	E181-K185 WeakPolarHBondContact O-CB 3.46Å; E181-K185 PolarHBondContact O-N 3.36Å; R183-K185 PolarHBondContact O-N 3.17Å; K185-T189 WeakPolarHBondContact O-CB 3.5Å; K185-T189 PolarHBondContact O-N 2.8Å; K185-T189 VanDerWaalsContact O-N 3.1Å; K185-T189 PolarHBondContact O-OG1 3.03Å
186	L	62.9	Low	61.9	Low	116 Å²	116	85.1 Å²	85.1	61%	0.607	41%	0.413	S	S	*	.	H	α-helix	trans	-69.5	-41.8	173.5	-73.5	167.2	0	0	0	112.7	R182 R183 N184 T189 A190	R182-L186 WeakPolarHBondContact O-CG 3.36Å; R182-L186 PolarHBondContact O-N 3.4Å; R183-L186 WeakPolarHBondContact O-CB 3.46Å; R183-L186 PolarHBondContact O-N 2.88Å; N184-L186 PolarHBondContact O-N 2.76Å; L186-T189 PolarHBondContact O-N 3Å; L186-A190 WeakPolarHBondContact O-CB 3.49Å; L186-A190 PolarHBondContact O-N 2.88Å
187	I	60.2	Low	60.9	Low	15 Å²	15	80.7 Å²	80.7	8%	0.077	40%	0.399	C	S	.	.	H	α-helix	trans	-60.4	-52.4	175.3	-67.3	165.5	0	0	0	110.3	R183 N184 T189 A190 L191 V205 L207 V218	R183-I187 HydrophobicContact CG-CD1 4.06Å; R183-I187 WeakPolarHBondContact O-CG1 3.45Å; R183-I187 PolarHBondContact O-N 3.08Å; N184-I187 WeakPolarHBondContact O-CB 3.47Å; N184-I187 PolarHBondContact O-N 3.4Å; I187-T189 VanDerWaalsContact C-N 3.31Å; I187-T189 PolarHBondContact O-N 3.09Å; I187-A190 PolarHBondContact O-N 2.88Å; I187-L191 HydrophobicContact CG2-CD1 3.8Å; I187-L191 HydrophobicContact CG2-CG 4.32Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 2.83Å; I187-V205 HydrophobicContact CG1-CG1 4.43Å; I187-V205 HydrophobicContact CG2-CG1 4.32Å; I187-V205 HydrophobicContact CG2-CG2 4.2Å; I187-L207 HydrophobicContact CD1-CD1 3.84Å; I187-L207 HydrophobicContact CG1-CD1 3.68Å; I187-L207 HydrophobicContact CG1-CG 4.34Å; I187-V218 HydrophobicContact CG2-CG2 4.03Å
188	S	57.5	Low	59.4	Low	0 Å²	0	81 Å²	81	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-59.9	-40.5	-180	-47.4	0	0	0	0	111.9	N184 A190 V192 V246	N184-S188 PolarHBondContact O-N 3.1Å; N184-S188 PolarHBondContact O-OG 2.82Å; S188-A190 VanDerWaalsContact C-N 3.33Å; S188-A190 PolarHBondContact O-N 3.38Å; S188-V192 WeakPolarHBondContact O-CG2 3.33Å; S188-V192 PolarHBondContact O-N 3.35Å; S188-V246 WeakPolarHBondContact OG-CG1 3.49Å
189	T	58.6	Low	58.2	Low	64 Å²	64	83.2 Å²	83.2	39%	0.393	42%	0.418	S	S	.	.	H	α-helix	trans	-67.1	-30.9	175.6	-54.7	0	0	0	0	112.9	K185 L186 I187 K193	K185-T189 WeakPolarHBondContact O-CB 3.5Å; K185-T189 PolarHBondContact O-N 2.8Å; K185-T189 VanDerWaalsContact O-N 3.1Å; K185-T189 PolarHBondContact O-OG1 3.03Å; L186-T189 PolarHBondContact O-N 3Å; I187-T189 VanDerWaalsContact C-N 3.31Å; I187-T189 PolarHBondContact O-N 3.09Å; T189-K193 WeakPolarHBondContact O-CG 3.36Å
190	A	54.1	Low	57.3	Low	55 Å²	55	84.3 Å²	84.3	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-77.4	-41.1	177.7	0	0	0	0	0	112.2	L186 I187 S188 K193 T194	L186-A190 WeakPolarHBondContact O-CB 3.49Å; L186-A190 PolarHBondContact O-N 2.88Å; I187-A190 PolarHBondContact O-N 2.88Å; S188-A190 VanDerWaalsContact C-N 3.33Å; S188-A190 PolarHBondContact O-N 3.38Å; A190-K193 PolarHBondContact O-N 3.16Å; A190-T194 WeakPolarHBondContact O-CG2 3.14Å; A190-T194 PolarHBondContact O-N 3.14Å; A190-T194 PolarHBondContact O-OG1 3.11Å
191	L	58.4	Low	56.7	Low	19 Å²	19	84.9 Å²	84.9	10%	0.099	43%	0.425	C	S	.	.	H	α-helix	trans	-62.9	-49.1	178.1	-70.4	172.2	0	0	0	111.7	I187 K193 T194 M195 L203 V218	I187-L191 HydrophobicContact CG2-CD1 3.8Å; I187-L191 HydrophobicContact CG2-CG 4.32Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 2.83Å; L191-K193 PolarHBondContact O-N 2.79Å; L191-K193 VanDerWaalsContact O-N 3.09Å; L191-T194 PolarHBondContact O-N 3.22Å; L191-T194 PolarHBondContact O-OG1 3.33Å; L191-T194 VanDerWaalsContact O-OG1 3.1Å; L191-M195 HydrophobicContact CB-SD 4.32Å; L191-M195 HydrophobicContact CD2-SD 4.13Å; L191-M195 WeakPolarHBondContact O-CG 3.43Å; L191-M195 PolarHBondContact O-N 2.96Å; L191-M195 VanDerWaalsContact O-N 3.16Å; L191-L203 HydrophobicContact CD2-CD1 3.67Å; L191-V218 HydrophobicContact CD1-CB 4.01Å; L191-V218 HydrophobicContact CD1-CG1 3.48Å; L191-V218 VanDerWaalsContact CD1-CG1 3.48Å; L191-V218 HydrophobicContact CD1-CG2 4.41Å
192	V	58.5	Low	55.9	Low	37 Å²	37	84.5 Å²	84.5	22%	0.224	43%	0.428	C	S	.	.	H	α-helix	trans	-58.7	-26.1	177.6	171.6	0	0	0	0	112.8	S188 F197 I236 L238	S188-V192 WeakPolarHBondContact O-CG2 3.33Å; S188-V192 PolarHBondContact O-N 3.35Å; V192-F197 HydrophobicContact CG1-CZ 4.4Å; V192-I236 HydrophobicContact CG2-CD1 3.9Å; V192-I236 HydrophobicContact CG2-CG2 4.44Å; V192-L238 HydrophobicContact CG1-CD2 4.06Å
193	K	55.8	Low	55	Low	174 Å²	174	79.6 Å²	79.6	76%	0.757	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.1	176.6	-71	-175.3	178.2	-171	0	115	T189 A190 L191	T189-K193 WeakPolarHBondContact O-CG 3.36Å; A190-K193 PolarHBondContact O-N 3.16Å; L191-K193 PolarHBondContact O-N 2.79Å; L191-K193 VanDerWaalsContact O-N 3.09Å
194	T	48.9	Very low	54.4	Low	109 Å²	109	82 Å²	82	67%	0.669	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	-9.9	-172.6	50.7	0	0	0	0	114.7	A190 L191	A190-T194 WeakPolarHBondContact O-CG2 3.14Å; A190-T194 PolarHBondContact O-N 3.14Å; A190-T194 PolarHBondContact O-OG1 3.11Å; L191-T194 PolarHBondContact O-N 3.22Å; L191-T194 PolarHBondContact O-OG1 3.33Å; L191-T194 VanDerWaalsContact O-OG1 3.1Å
195	M	50.8	Low	53.8	Low	47 Å²	47	83.2 Å²	83.2	23%	0.232	44%	0.442	C	S	.	.			trans	-109.5	128	-174.9	-62.4	-174.4	72.9	0	0	112.6	L191 K201 L203	L191-M195 HydrophobicContact CB-SD 4.32Å; L191-M195 HydrophobicContact CD2-SD 4.13Å; L191-M195 WeakPolarHBondContact O-CG 3.43Å; L191-M195 PolarHBondContact O-N 2.96Å; L191-M195 VanDerWaalsContact O-N 3.16Å; M195-K201 HydrophobicContact CE-CB 3.77Å; M195-K201 HydrophobicContact CE-CD 3.75Å; M195-K201 HydrophobicContact CE-CG 4.39Å; M195-L203 HydrophobicContact CE-CD1 3.69Å; M195-L203 HydrophobicContact SD-CD1 3.56Å; M195-L203 VanDerWaalsContact SD-CD1 3.56Å
196	S	50.2	Low	52.7	Low	94 Å²	94	81.2 Å²	81.2	66%	0.657	45%	0.445	S	S	*	.			trans	-70.6	130.7	156.8	44.9	0	0	0	0	109.2	E198	S196-E198 VanDerWaalsContact C-N 3.3Å; S196-E198 PolarHBondContact O-N 3.27Å
197	F	48.6	Very low	51.9	Low	88 Å²	88	78.3 Å²	78.3	39%	0.386	43%	0.43	S	S	.	.			trans	-81.7	68.1	-171.2	-75.1	-89	0	0	0	113	V192 V220 L238	V192-F197 HydrophobicContact CG1-CZ 4.4Å; F197-V220 HydrophobicContact CE1-CG1 4.49Å; F197-L238 HydrophobicContact CE2-CD2 4.29Å; F197-L238 HydrophobicContact CZ-CD1 4.48Å; F197-L238 HydrophobicContact CZ-CD2 4.03Å
198	E	41.4	Very low	51.1	Low	133 Å²	133	82.6 Å²	82.6	62%	0.621	46%	0.459	S	S	*	.			trans	-122.8	122.2	165.4	-68.4	-170.9	140.3	0	0	110.6	S196 K201	S196-E198 VanDerWaalsContact C-N 3.3Å; S196-E198 PolarHBondContact O-N 3.27Å; E198-K201 WeakPolarHBondContact O-CE 3.09Å; E198-K201 PolarHBondContact O-NZ 3.15Å
199	N	50	Low	50.4	Low	154 Å²	154	91.1 Å²	91.1	82%	0.824	50%	0.498	S	S	*	.	S	Bend	trans	64.1	151.1	173.1	-54.9	-7.1	0	0	0	117.2	K201	N199-K201 PolarHBondContact O-N 3.2Å
200	E	51.2	Low	49.8	Very low	138 Å²	138	89.3 Å²	89.3	65%	0.645	49%	0.49	S	S	*	.			trans	-59.5	129.7	176.5	-58.9	-164.8	162.1	0	0	111.1	K221	E200-K221 WeakPolarHBondContact OE1-CE 3.46Å; E200-K221 IonicContact OE1-NZ 2.87Å
201	K	52.4	Low	49.3	Very low	92 Å²	92	91.8 Å²	91.8	40%	0.4	50%	0.502	S	S	.	.			trans	-136.9	100.8	-175.6	-82.8	162.3	-179.6	153.2	0	110.6	M195 E198 N199 L203	M195-K201 HydrophobicContact CE-CB 3.77Å; M195-K201 HydrophobicContact CE-CD 3.75Å; M195-K201 HydrophobicContact CE-CG 4.39Å; E198-K201 WeakPolarHBondContact O-CE 3.09Å; E198-K201 PolarHBondContact O-NZ 3.15Å; N199-K201 PolarHBondContact O-N 3.2Å; K201-L203 PolarHBondContact O-N 3.41Å
202	V	54.4	Low	48.8	Very low	82 Å²	82	96.5 Å²	96.5	50%	0.497	53%	0.527	S	S	.	.			trans	-68.9	113.5	167.1	179.5	0	0	0	0	108.5	N217 I219	V202-N217 HydrophobicContact CG1-CB 3.71Å; V202-I219 HydrophobicContact CG2-CG1 4.42Å
203	L	50.5	Low	47.9	Very low	62 Å²	62	97.8 Å²	97.8	33%	0.325	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.4	179	-73.1	173	0	0	0	111.5	L191 M195 K201 V205 V218	L191-L203 HydrophobicContact CD2-CD1 3.67Å; M195-L203 HydrophobicContact CE-CD1 3.69Å; M195-L203 HydrophobicContact SD-CD1 3.56Å; M195-L203 VanDerWaalsContact SD-CD1 3.56Å; K201-L203 PolarHBondContact O-N 3.41Å; L203-V205 HydrophobicContact CB-CG2 4.37Å; L203-V205 PolarHBondContact O-N 3.49Å; L203-V218 PolarHBondContact N-O 3.06Å; L203-V218 PolarHBondContact O-N 3.3Å
204	P	46.6	Very low	47.3	Very low	87 Å²	87	94.3 Å²	94.3	57%	0.565	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	97.8	173.8	29.5	-32.6	0	0	0	110.7	C206 V215	P204-C206 PolarHBondContact O-N 3.01Å; P204-V215 HydrophobicContact CB-CG1 3.42Å; P204-V215 VanDerWaalsContact CB-CG1 3.42Å
205	V	51.7	Low	47.4	Very low	38 Å²	38	91.7 Å²	91.7	23%	0.23	51%	0.511	C	S	.	.			trans	-88.9	90	-172.7	-171.6	0	0	0	0	112.5	I187 L203 L207 V218	I187-V205 HydrophobicContact CG1-CG1 4.43Å; I187-V205 HydrophobicContact CG2-CG1 4.32Å; I187-V205 HydrophobicContact CG2-CG2 4.2Å; L203-V205 HydrophobicContact CB-CG2 4.37Å; L203-V205 PolarHBondContact O-N 3.49Å; V205-L207 HydrophobicContact CG1-CD2 4.27Å; V205-L207 HydrophobicContact CG1-CG 4.12Å; V205-L207 PolarHBondContact O-N 3.06Å; V205-V218 HydrophobicContact CG2-CG2 3.81Å
206	C	44.3	Very low	47.4	Very low	101 Å²	101	90.5 Å²	90.5	68%	0.682	51%	0.508	S	S	*	.			trans	-76.3	93.4	167.4	-74.7	0	0	0	0	111.7	P204 P208	P204-C206 PolarHBondContact O-N 3.01Å; C206-P208 WeakPolarHBondContact O-CD 3.47Å
207	L	45.3	Very low	47.5	Very low	56 Å²	56	87.9 Å²	87.9	29%	0.293	49%	0.487	S	S	.	.			trans	-78.2	118.2	170.6	-75.1	-178.6	0	0	0	111.5	R183 I187 V205 E209 A210	R183-L207 HydrophobicContact CG-CD1 3.87Å; I187-L207 HydrophobicContact CD1-CD1 3.84Å; I187-L207 HydrophobicContact CG1-CD1 3.68Å; I187-L207 HydrophobicContact CG1-CG 4.34Å; V205-L207 HydrophobicContact CG1-CD2 4.27Å; V205-L207 HydrophobicContact CG1-CG 4.12Å; V205-L207 PolarHBondContact O-N 3.06Å; L207-E209 PolarHBondContact O-N 2.72Å; L207-A210 PolarHBondContact O-N 2.78Å
208	P	44.3	Very low	47.8	Very low	104 Å²	104	83.8 Å²	83.8	68%	0.675	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-4	-179.2	29.9	-36.3	0	0	0	114.4	C206	C206-P208 WeakPolarHBondContact O-CD 3.47Å
209	E	43.5	Very low	48.7	Very low	179 Å²	179	78.7 Å²	78.7	84%	0.836	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.7	-176.5	-61	-173	153.9	0	0	114.2	L207	L207-E209 PolarHBondContact O-N 2.72Å
210	A	45.9	Very low	49.2	Very low	26 Å²	26	72.7 Å²	72.7	22%	0.215	42%	0.415	C	S	.	.			trans	-154.1	119	156.8	0	0	0	0	0	110.4	R183 L207	R183-A210 VanDerWaalsContact NH1-CB 3.27Å; R183-A210 PolarHBondContact NH2-O 3.39Å; L207-A210 PolarHBondContact O-N 2.78Å
211	P	43.4	Very low	49.8	Very low	108 Å²	108	69.5 Å²	69.5	70%	0.701	40%	0.399	S	S	*	.	S	Bend	trans	-80.6	-22.7	-179.8	31.1	-31.2	0	0	0	113.3	I213	P211-I213 PolarHBondContact O-N 3.13Å
212	D	47.1	Very low	50.3	Low	117 Å²	117	71.9 Å²	71.9	63%	0.626	41%	0.405	S	S	*	.	S	Bend	trans	-68.2	8.8	-173.3	-41.8	-5.6	0	0	0	115.3
213	I	39.4	Very low	50.8	Low	65 Å²	65	69.7 Å²	69.7	33%	0.333	39%	0.39	S	S	.	.	S	Bend	trans	-126.1	118.3	-173.6	-62	174.2	0	0	0	107.5	P211	P211-I213 PolarHBondContact O-N 3.13Å
214	P	43.9	Very low	51.2	Low	100 Å²	100	70 Å²	70	65%	0.649	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-62.3	159.8	-179.2	27.7	-35.3	0	0	0	111.4	A216	P214-A216 PolarHBondContact O-N 3.13Å; P214-A216 VanDerWaalsContact O-N 3.16Å
215	V	50.4	Low	51.4	Low	54 Å²	54	76.5 Å²	76.5	33%	0.327	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-52.7	122.5	173.5	-175.6	0	0	0	0	108.9	P204 L251	P204-V215 HydrophobicContact CB-CG1 3.42Å; P204-V215 VanDerWaalsContact CB-CG1 3.42Å; V215-L251 HydrophobicContact CB-CD1 4.3Å; V215-L251 WeakPolarHBondContact O-CD1 3.49Å; V215-L251 WeakPolarHBondContact O-CG 3.4Å
216	A	50.7	Low	51.8	Low	22 Å²	22	78.9 Å²	78.9	18%	0.182	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.8	173.1	0	0	0	0	0	109.1	P214 V218 V248 E249	P214-A216 PolarHBondContact O-N 3.13Å; P214-A216 VanDerWaalsContact O-N 3.16Å; A216-V218 PolarHBondContact O-N 3.17Å; A216-V248 HydrophobicContact CB-CG1 3.61Å; A216-E249 WeakPolarHBondContact CA-O 3.33Å
217	N	52.1	Low	52.5	Low	39 Å²	39	77.3 Å²	77.3	21%	0.209	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119	167.2	-71.2	-15.3	0	0	0	107.4	V202 E249	V202-N217 HydrophobicContact CG1-CB 3.71Å; N217-E249 HydrophobicContact CB-CB 4.19Å; N217-E249 WeakPolarHBondContact CB-OE2 3.25Å; N217-E249 PolarHBondContact N-O 2.86Å; N217-E249 PolarHBondContact ND2-OE2 3.06Å; N217-E249 VanDerWaalsContact ND2-OE2 3.17Å; N217-E249 PolarHBondContact O-N 3.33Å
218	V	55.5	Low	53.3	Low	2 Å²	2	79.6 Å²	79.6	1%	0.012	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.1	170.8	-169.8	0	0	0	0	108.6	I187 L191 L203 V205 A216 V220 V246 Q247	I187-V218 HydrophobicContact CG2-CG2 4.03Å; L191-V218 HydrophobicContact CD1-CB 4.01Å; L191-V218 HydrophobicContact CD1-CG1 3.48Å; L191-V218 VanDerWaalsContact CD1-CG1 3.48Å; L191-V218 HydrophobicContact CD1-CG2 4.41Å; L203-V218 PolarHBondContact N-O 3.06Å; L203-V218 PolarHBondContact O-N 3.3Å; V205-V218 HydrophobicContact CG2-CG2 3.81Å; A216-V218 PolarHBondContact O-N 3.17Å; V218-V220 HydrophobicContact CG1-CG2 4.43Å; V218-V246 HydrophobicContact CG1-CG1 3.35Å; V218-Q247 WeakPolarHBondContact CA-O 3.45Å
219	I	60.8	Low	54.1	Low	26 Å²	26	77 Å²	77	13%	0.133	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.5	174.8	-60.1	173.4	0	0	0	107.5	V202 K221 V246 Q247 E249	V202-I219 HydrophobicContact CG2-CG1 4.42Å; I219-K221 HydrophobicContact CG2-CD 4.07Å; I219-K221 HydrophobicContact CG2-CG 4.06Å; I219-V246 CarbonylContact O-C 3.32Å; I219-V246 WeakPolarHBondContact O-CA 3.45Å; I219-Q247 HydrophobicContact CB-CB 4.4Å; I219-Q247 PolarHBondContact N-O 3.48Å; I219-Q247 PolarHBondContact O-N 3.11Å; I219-E249 HydrophobicContact CD1-CG 3.95Å
220	V	59.6	Low	55.3	Low	28 Å²	28	70.5 Å²	70.5	17%	0.17	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119	174.9	-176.2	0	0	0	0	108.3	F197 V218 V246	F197-V220 HydrophobicContact CE1-CG1 4.49Å; V218-V220 HydrophobicContact CG1-CG2 4.43Å; V220-V246 HydrophobicContact CG1-CG2 4.37Å; V220-V246 HydrophobicContact CG2-CG1 4.28Å; V220-V246 HydrophobicContact CG2-CG2 4.2Å
221	K	64.2	Low	56	Low	71 Å²	71	79.3 Å²	79.3	31%	0.309	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.3	-178.6	-83.5	176.9	162.6	173.2	0	111.1	E200 I219 C244 Y245	E200-K221 WeakPolarHBondContact OE1-CE 3.46Å; E200-K221 IonicContact OE1-NZ 2.87Å; I219-K221 HydrophobicContact CG2-CD 4.07Å; I219-K221 HydrophobicContact CG2-CG 4.06Å; K221-C244 CarbonylContact O-C 3.23Å; K221-C244 VanDerWaalsContact O-CA 3.26Å; K221-C244 WeakPolarHBondContact O-CA 3.47Å; K221-Y245 HydrophobicContact CB-CD1 4.01Å; K221-Y245 HydrophobicContact CB-CD2 4.49Å; K221-Y245 HydrophobicContact CB-CE1 3.58Å; K221-Y245 HydrophobicContact CB-CE2 4.11Å; K221-Y245 HydrophobicContact CB-CG 4.48Å; K221-Y245 HydrophobicContact CD-CE1 4.41Å; K221-Y245 HydrophobicContact CD-CE2 4.31Å; K221-Y245 VanDerWaalsContact CD-OH 3.26Å; K221-Y245 WeakPolarHBondContact CD-OH 3.49Å; K221-Y245 PolarHBondContact N-O 3.19Å; K221-Y245 PolarHBondContact O-N 2.86Å
222	R	62.7	Low	56.7	Low	142 Å²	142	78.6 Å²	78.6	54%	0.536	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.2	166.4	-100.2	-178.9	168.2	135	-9.4	109.4	S224 D242	R222-S224 PolarHBondContact O-N 3.1Å; R222-D242 IonicContact CZ-OD2 2.69Å; R222-D242 IonicContact NE-OD2 2.66Å; R222-D242 PolarHBondContact NE-OD2 2.99Å; R222-D242 IonicContact NH2-OD2 2.85Å; R222-D242 PolarHBondContact NH2-OD2 3.46Å
223	I	65.3	Low	57.6	Low	37 Å²	37	73.9 Å²	73.9	19%	0.19	42%	0.418	C	S	.	.			trans	-85.6	102.8	171.6	-66.4	176.5	0	0	0	108.1	P229 V235 Q243 Y245	I223-P229 HydrophobicContact CD1-CB 4.17Å; I223-P229 HydrophobicContact CD1-CG 4.15Å; I223-V235 HydrophobicContact CD1-CG1 3.98Å; I223-V235 HydrophobicContact CD1-CG2 4.26Å; I223-Q243 HydrophobicContact CB-CB 4.13Å; I223-Q243 WeakPolarHBondContact CB-O 3.24Å; I223-Q243 HydrophobicContact CD1-CB 3.85Å; I223-Q243 HydrophobicContact CG1-CB 4.34Å; I223-Q243 PolarHBondContact N-O 3.04Å; I223-Y245 HydrophobicContact CD1-CD1 4.48Å; I223-Y245 HydrophobicContact CG1-CD1 3.77Å
224	S	58.4	Low	58.7	Low	69 Å²	69	72.7 Å²	72.7	48%	0.483	41%	0.414	S	S	.	.			trans	-65.2	142.3	168.7	32.2	0	0	0	0	111.2	R222 G226 T227	R222-S224 PolarHBondContact O-N 3.1Å; S224-G226 PolarHBondContact O-N 2.88Å; S224-G226 VanDerWaalsContact O-N 3.08Å; S224-T227 PolarHBondContact O-N 2.94Å; S224-T227 WeakPolarHBondContact OG-CB 3.44Å; S224-T227 PolarHBondContact OG-OG1 3.43Å
225	K	51.3	Low	59.8	Low	222 Å²	222	70.9 Å²	70.9	97%	0.965	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	115.5	175.1	-73.6	-178.8	178.2	175	0	109.8
226	G	59.1	Low	60.3	Low	88 Å²	88	70 Å²	70	91%	0.907	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.3	-6.8	-177.5	0	0	0	0	0	115.1	S224	S224-G226 PolarHBondContact O-N 2.88Å; S224-G226 VanDerWaalsContact O-N 3.08Å
227	T	60	Low	61	Low	69 Å²	69	74.3 Å²	74.3	42%	0.423	41%	0.414	S	S	.	.			trans	-104.1	119.2	179.2	-45.2	0	0	0	0	111.2	S224	S224-T227 PolarHBondContact O-N 2.94Å; S224-T227 WeakPolarHBondContact OG-CB 3.44Å; S224-T227 PolarHBondContact OG-OG1 3.43Å
228	S	60.8	Low	61.5	Low	103 Å²	103	74.2 Å²	74.2	72%	0.72	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-75.2	134.7	170.3	52	0	0	0	0	110.9
229	P	63	Low	61.5	Low	50 Å²	50	83.6 Å²	83.6	33%	0.325	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-66.6	151.9	172.2	29	-34.3	0	0	0	111.1	I223 V235 Y245	I223-P229 HydrophobicContact CD1-CB 4.17Å; I223-P229 HydrophobicContact CD1-CG 4.15Å; P229-V235 HydrophobicContact CB-CG2 3.98Å; P229-V235 HydrophobicContact CG-CG2 3.73Å; P229-Y245 HydrophobicContact CB-CD1 4.27Å; P229-Y245 HydrophobicContact CB-CG 4.21Å
230	P	66.9	Low	61.4	Low	42 Å²	42	88.7 Å²	88.7	27%	0.273	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-58.6	150.3	173	-23.8	33.4	0	0	0	113.2	D232 A233 Y245	P230-D232 WeakPolarHBondContact CB-OD1 3.36Å; P230-D232 PolarHBondContact O-N 3.16Å; P230-A233 HydrophobicContact CB-CB 4.05Å; P230-A233 HydrophobicContact CG-CB 4.21Å; P230-A233 WeakPolarHBondContact O-CB 3.48Å; P230-A233 PolarHBondContact O-N 2.95Å; P230-Y245 HydrophobicContact CG-CE2 4.03Å
231	E	61.7	Low	61.4	Low	211 Å²	211	94.9 Å²	94.9	99%	0.986	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-25	179.3	-62.1	-170.5	155.6	0	0	113.3
232	D	59	Low	61.3	Low	94 Å²	94	94.2 Å²	94.2	50%	0.503	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.8	177.3	62.2	-57.5	0	0	0	114	P230 Q247	P230-D232 WeakPolarHBondContact CB-OD1 3.36Å; P230-D232 PolarHBondContact O-N 3.16Å; D232-Q247 PolarHBondContact OD1-NE2 2.94Å; D232-Q247 WeakPolarHBondContact OD2-CG 3.37Å; D232-Q247 PolarHBondContact OD2-NE2 3.34Å
233	A	64	Low	61.4	Low	18 Å²	18	91.7 Å²	91.7	15%	0.149	51%	0.511	C	S	.	.			trans	-91.6	139.8	-173.2	0	0	0	0	0	114	P230 V235 Y245	P230-A233 HydrophobicContact CB-CB 4.05Å; P230-A233 HydrophobicContact CG-CB 4.21Å; P230-A233 WeakPolarHBondContact O-CB 3.48Å; P230-A233 PolarHBondContact O-N 2.95Å; A233-V235 PolarHBondContact O-N 3.28Å; A233-Y245 HydrophobicContact CB-CD2 3.67Å; A233-Y245 HydrophobicContact CB-CG 4.2Å
234	T	62.8	Low	61.4	Low	40 Å²	40	90 Å²	90	25%	0.245	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.3	176.7	-49.3	0	0	0	0	110.2	Y245 V246	T234-Y245 WeakPolarHBondContact O-CA 3.39Å; T234-V246 PolarHBondContact N-O 3.39Å; T234-V246 PolarHBondContact O-N 2.93Å
235	V	67.5	Low	61.8	Low	62 Å²	62	88 Å²	88	38%	0.376	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.1	174.6	-175.9	0	0	0	0	111	I223 P229 A233 C244	I223-V235 HydrophobicContact CD1-CG1 3.98Å; I223-V235 HydrophobicContact CD1-CG2 4.26Å; P229-V235 HydrophobicContact CB-CG2 3.98Å; P229-V235 HydrophobicContact CG-CG2 3.73Å; A233-V235 PolarHBondContact O-N 3.28Å; V235-C244 CarbonylContact C-O 3.57Å; V235-C244 WeakPolarHBondContact CA-O 3.36Å
236	I	62	Low	62.4	Low	34 Å²	34	77.5 Å²	77.5	17%	0.174	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.3	177.3	-60.8	-179.6	0	0	0	108.6	V192 C244 V246	V192-I236 HydrophobicContact CG2-CD1 3.9Å; V192-I236 HydrophobicContact CG2-CG2 4.44Å; I236-C244 PolarHBondContact N-O 3.45Å; I236-C244 PolarHBondContact O-N 3.15Å; I236-V246 HydrophobicContact CD1-CG2 4.16Å
237	N	65.2	Low	62.6	Low	113 Å²	113	75.3 Å²	75.3	60%	0.604	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	134	171.1	-57.9	-1.2	0	0	0	108.9
238	L	61.8	Low	62.6	Low	37 Å²	37	72.7 Å²	72.7	19%	0.194	39%	0.388	C	S	.	.			trans	-86.4	168.2	170.8	-65.2	175.8	0	0	0	110.6	V192 F197 N240 D242	V192-L238 HydrophobicContact CG1-CD2 4.06Å; F197-L238 HydrophobicContact CE2-CD2 4.29Å; F197-L238 HydrophobicContact CZ-CD1 4.48Å; F197-L238 HydrophobicContact CZ-CD2 4.03Å; L238-N240 PolarHBondContact O-N 3.44Å; L238-N240 VanDerWaalsContact O-N 3.11Å; L238-D242 HydrophobicContact CB-CB 4.18Å; L238-D242 WeakPolarHBondContact CB-O 3.44Å; L238-D242 HydrophobicContact CD1-CB 3.89Å; L238-D242 HydrophobicContact CG-CB 4.44Å; L238-D242 PolarHBondContact N-O 2.82Å
239	E	55.5	Low	62.3	Low	200 Å²	200	71.2 Å²	71.2	94%	0.935	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-3.9	178.1	-61.8	179.3	159.4	0	0	113.3
240	N	58.5	Low	61.7	Low	132 Å²	132	77.9 Å²	77.9	71%	0.706	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	24.5	-175.9	-60.2	0.1	0	0	0	113	L238 D242	L238-N240 PolarHBondContact O-N 3.44Å; L238-N240 VanDerWaalsContact O-N 3.11Å; N240-D242 PolarHBondContact O-N 3.04Å
241	D	59.5	Low	60.7	Low	159 Å²	159	79.5 Å²	79.5	85%	0.85	40%	0.395	S	S	*	.	S	Bend	trans	58.4	-10.7	-170.4	-77.2	-36.5	0	0	0	117
242	D	62.4	Low	59.8	Low	56 Å²	56	73.5 Å²	73.5	30%	0.299	37%	0.373	S	S	.	.			trans	-54.2	136.5	166.8	-93.5	-11.6	0	0	0	111.6	R222 L238 N240	R222-D242 IonicContact CZ-OD2 2.69Å; R222-D242 IonicContact NE-OD2 2.66Å; R222-D242 PolarHBondContact NE-OD2 2.99Å; R222-D242 IonicContact NH2-OD2 2.85Å; R222-D242 PolarHBondContact NH2-OD2 3.46Å; L238-D242 HydrophobicContact CB-CB 4.18Å; L238-D242 WeakPolarHBondContact CB-O 3.44Å; L238-D242 HydrophobicContact CD1-CB 3.89Å; L238-D242 HydrophobicContact CG-CB 4.44Å; L238-D242 PolarHBondContact N-O 2.82Å; N240-D242 PolarHBondContact O-N 3.04Å
243	Q	65.2	Low	58.9	Low	90 Å²	90	77.1 Å²	77.1	42%	0.421	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.9	170	-56.2	-177.8	-1.7	0	0	110.3	I223	I223-Q243 HydrophobicContact CB-CB 4.13Å; I223-Q243 WeakPolarHBondContact CB-O 3.24Å; I223-Q243 HydrophobicContact CD1-CB 3.85Å; I223-Q243 HydrophobicContact CG1-CB 4.34Å; I223-Q243 PolarHBondContact N-O 3.04Å
244	C	65.4	Low	57.8	Low	1 Å²	1	85.2 Å²	85.2	1%	0.007	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.5	171.5	-70.4	0	0	0	0	109.7	K221 V235 I236	K221-C244 CarbonylContact O-C 3.23Å; K221-C244 VanDerWaalsContact O-CA 3.26Å; K221-C244 WeakPolarHBondContact O-CA 3.47Å; V235-C244 CarbonylContact C-O 3.57Å; V235-C244 WeakPolarHBondContact CA-O 3.36Å; I236-C244 PolarHBondContact N-O 3.45Å; I236-C244 PolarHBondContact O-N 3.15Å
245	Y	66.9	Low	56.5	Low	28 Å²	28	89.2 Å²	89.2	11%	0.11	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.3	166.7	74.2	-94.9	0	0	0	111.5	K221 I223 P229 P230 A233 T234 Q247	K221-Y245 HydrophobicContact CB-CD1 4.01Å; K221-Y245 HydrophobicContact CB-CD2 4.49Å; K221-Y245 HydrophobicContact CB-CE1 3.58Å; K221-Y245 HydrophobicContact CB-CE2 4.11Å; K221-Y245 HydrophobicContact CB-CG 4.48Å; K221-Y245 HydrophobicContact CD-CE1 4.41Å; K221-Y245 HydrophobicContact CD-CE2 4.31Å; K221-Y245 VanDerWaalsContact CD-OH 3.26Å; K221-Y245 WeakPolarHBondContact CD-OH 3.49Å; K221-Y245 PolarHBondContact N-O 3.19Å; K221-Y245 PolarHBondContact O-N 2.86Å; I223-Y245 HydrophobicContact CD1-CD1 4.48Å; I223-Y245 HydrophobicContact CG1-CD1 3.77Å; P229-Y245 HydrophobicContact CB-CD1 4.27Å; P229-Y245 HydrophobicContact CB-CG 4.21Å; P230-Y245 HydrophobicContact CG-CE2 4.03Å; A233-Y245 HydrophobicContact CB-CD2 3.67Å; A233-Y245 HydrophobicContact CB-CG 4.2Å; T234-Y245 WeakPolarHBondContact O-CA 3.39Å; Y245-Q247 HydrophobicContact CD2-CB 4.44Å; Y245-Q247 HydrophobicContact CE2-CB 4.45Å
246	V	63.5	Low	54.9	Low	1 Å²	1	91.2 Å²	91.2	1%	0.006	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.1	177.1	-174.6	0	0	0	0	109	S188 V218 I219 V220 T234 I236	S188-V246 WeakPolarHBondContact OG-CG1 3.49Å; V218-V246 HydrophobicContact CG1-CG1 3.35Å; I219-V246 CarbonylContact O-C 3.32Å; I219-V246 WeakPolarHBondContact O-CA 3.45Å; V220-V246 HydrophobicContact CG1-CG2 4.37Å; V220-V246 HydrophobicContact CG2-CG1 4.28Å; V220-V246 HydrophobicContact CG2-CG2 4.2Å; T234-V246 PolarHBondContact N-O 3.39Å; T234-V246 PolarHBondContact O-N 2.93Å; I236-V246 HydrophobicContact CD1-CG2 4.16Å
247	Q	63.7	Low	53.5	Low	41 Å²	41	94.5 Å²	94.5	19%	0.192	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.7	177.6	-166	170	19	0	0	109.7	V218 I219 D232 Y245	V218-Q247 WeakPolarHBondContact CA-O 3.45Å; I219-Q247 HydrophobicContact CB-CB 4.4Å; I219-Q247 PolarHBondContact N-O 3.48Å; I219-Q247 PolarHBondContact O-N 3.11Å; D232-Q247 PolarHBondContact OD1-NE2 2.94Å; D232-Q247 WeakPolarHBondContact OD2-CG 3.37Å; D232-Q247 PolarHBondContact OD2-NE2 3.34Å; Y245-Q247 HydrophobicContact CD2-CB 4.44Å; Y245-Q247 HydrophobicContact CE2-CB 4.45Å
248	V	58.4	Low	52.1	Low	14 Å²	14	93.9 Å²	93.9	9%	0.085	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	87.8	-173	-177.3	0	0	0	0	108.8	A216	A216-V248 HydrophobicContact CB-CG1 3.61Å
249	E	55.9	Low	50.7	Low	73 Å²	73	97.9 Å²	97.9	34%	0.341	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	137.1	-176.7	-53	-179.1	130	0	0	111.2	A216 N217 I219	A216-E249 WeakPolarHBondContact CA-O 3.33Å; N217-E249 HydrophobicContact CB-CB 4.19Å; N217-E249 WeakPolarHBondContact CB-OE2 3.25Å; N217-E249 PolarHBondContact N-O 2.86Å; N217-E249 PolarHBondContact ND2-OE2 3.06Å; N217-E249 VanDerWaalsContact ND2-OE2 3.17Å; N217-E249 PolarHBondContact O-N 3.33Å; I219-E249 HydrophobicContact CD1-CG 3.95Å
250	R	49.8	Very low	49.7	Very low	190 Å²	190	97.4 Å²	97.4	72%	0.717	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.5	164.5	-70.1	179.7	172.4	-172.9	-1.6	108.6	T252	R250-T252 PolarHBondContact O-N 2.62Å
251	L	45.6	Very low	48.6	Very low	76 Å²	76	97 Å²	97	40%	0.398	51%	0.509	S	S	.	.			trans	-56.6	112.6	167.4	-68.4	177.3	0	0	0	109.7	V215	V215-L251 HydrophobicContact CB-CD1 4.3Å; V215-L251 WeakPolarHBondContact O-CD1 3.49Å; V215-L251 WeakPolarHBondContact O-CG 3.4Å
252	T	42.5	Very low	47.4	Very low	85 Å²	85	93.4 Å²	93.4	52%	0.521	49%	0.49	S	S	.	.			trans	-85.4	154.4	169.8	57	0	0	0	0	109.7	R250 Q254 Q255	R250-T252 PolarHBondContact O-N 2.62Å; T252-Q254 PolarHBondContact O-N 2.93Å; T252-Q255 PolarHBondContact O-N 3.23Å
253	E	39.9	Very low	46.2	Very low	170 Å²	170	100.5 Å²	100.5	79%	0.794	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	11.3	-164.7	-61.8	-179.5	154.5	0	0	115	R301	E253-R301 IonicContact OE1-NH1 3.9Å; E253-R301 PolarHBondContact OE1-NH1 3.4Å
254	Q	40.8	Very low	44.8	Very low	188 Å²	188	101.9 Å²	101.9	88%	0.879	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-11.6	178.5	-66.9	-175.3	-17.6	0	0	114.9	T252	T252-Q254 PolarHBondContact O-N 2.93Å
255	Q	36.7	Very low	44	Very low	123 Å²	123	109.3 Å²	109.3	58%	0.575	57%	0.573	S	S	*	*			trans	-100.3	14.7	-171.1	-70.9	-177.2	-28.5	0	0	115	T252 S257	T252-Q255 PolarHBondContact O-N 3.23Å; Q255-S257 PolarHBondContact O-N 3.4Å
256	S	33.3	Very low	43.4	Very low	104 Å²	104	110.9 Å²	110.9	73%	0.727	59%	0.589	S	S	*	*			trans	-77.9	48.6	-175	68	0	0	0	0	114.1
257	S	32.2	Very low	43.2	Very low	103 Å²	103	114 Å²	114	72%	0.72	62%	0.621	S	S	*	*			trans	-153.6	85.8	177.5	-70.3	0	0	0	0	111.5	Q255 S259	Q255-S257 PolarHBondContact O-N 3.4Å; S257-S259 PolarHBondContact O-N 3.43Å; S257-S259 VanDerWaalsContact O-N 3.16Å
258	P	37.6	Very low	43	Very low	101 Å²	101	116.5 Å²	116.5	66%	0.656	63%	0.633	S	S	*	*			trans	-70.4	109.3	174.5	29.1	-33.4	0	0	0	110.3	Y260	P258-Y260 HydrophobicContact CB-CD2 4.16Å; P258-Y260 HydrophobicContact CB-CE2 3.74Å; P258-Y260 HydrophobicContact CG-CD2 4.39Å; P258-Y260 HydrophobicContact CG-CE2 3.92Å; P258-Y260 WeakPolarHBondContact O-CD2 3.43Å; P258-Y260 PolarHBondContact O-N 3.38Å; P258-Y260 VanDerWaalsContact O-N 3.08Å
259	S	30.5	Very low	43.5	Very low	121 Å²	121	117.5 Å²	117.5	85%	0.846	64%	0.639	S	S	*	*			trans	-74.8	90.2	175.6	174	0	0	0	0	110.8	S257	S257-S259 PolarHBondContact O-N 3.43Å; S257-S259 VanDerWaalsContact O-N 3.16Å
260	Y	34.8	Very low	44.2	Very low	189 Å²	189	116.2 Å²	116.2	74%	0.741	64%	0.636	S	S	*	*			trans	-78.6	130.7	171.9	-74.9	-82.5	0	0	0	111.2	P258 N262	P258-Y260 HydrophobicContact CB-CD2 4.16Å; P258-Y260 HydrophobicContact CB-CE2 3.74Å; P258-Y260 HydrophobicContact CG-CD2 4.39Å; P258-Y260 HydrophobicContact CG-CE2 3.92Å; P258-Y260 WeakPolarHBondContact O-CD2 3.43Å; P258-Y260 PolarHBondContact O-N 3.38Å; P258-Y260 VanDerWaalsContact O-N 3.08Å; Y260-N262 PolarHBondContact O-N 3.03Å
261	P	35.9	Very low	45.4	Very low	125 Å²	125	107.5 Å²	107.5	81%	0.812	60%	0.604	S	S	*	*			trans	-66.2	120.6	174.8	26.9	-33	0	0	0	110.4	K263	P261-K263 PolarHBondContact O-N 3.39Å
262	N	35.4	Very low	46.3	Very low	82 Å²	82	109.4 Å²	109.4	44%	0.439	62%	0.615	S	S	.	*			trans	-98.7	79.6	-166.6	-158.1	-17.3	0	0	0	110.9	Y260	Y260-N262 PolarHBondContact O-N 3.03Å
263	K	36.4	Very low	47.3	Very low	206 Å²	206	111.8 Å²	111.8	90%	0.896	61%	0.614	S	S	*	*			trans	-152.9	117.6	169.3	-103.7	174.3	-177.2	-179.4	0	110.4	P261	P261-K263 PolarHBondContact O-N 3.39Å
264	D	35.4	Very low	48.6	Very low	118 Å²	118	105.2 Å²	105.2	63%	0.631	59%	0.586	S	S	*	*			trans	-137.6	148.7	178.1	-152.4	-4.6	0	0	0	107.9	S266	D264-S266 PolarHBondContact O-N 2.95Å
265	V	49.7	Very low	49.6	Very low	157 Å²	157	102.7 Å²	102.7	95%	0.952	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	34.2	-156.3	-159.2	0	0	0	0	114.5
266	S	54.4	Low	50.9	Low	62 Å²	62	104.4 Å²	104.4	43%	0.434	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.9	13.6	-170.5	58.3	0	0	0	0	115.5	D264 Q268	D264-S266 PolarHBondContact O-N 2.95Å; S266-Q268 PolarHBondContact O-N 3.22Å
267	G	58.4	Low	52.9	Low	67 Å²	67	105.8 Å²	105.8	69%	0.691	58%	0.577	S	S	*	*	S	Bend	trans	64.4	11.2	170.4	0	0	0	0	0	116
268	Q	58.6	Low	55.1	Low	92 Å²	92	102 Å²	102	43%	0.43	55%	0.547	S	S	.	.			trans	-111.4	128.7	-177.8	-69.7	177	19.7	0	0	111.2	S266 R277 F278	S266-Q268 PolarHBondContact O-N 3.22Å; Q268-R277 HydrophobicContact CB-CB 4.36Å; Q268-R277 VanDerWaalsContact OE1-CD 3.32Å; Q268-F278 CarbonylContact C-O 3.59Å; Q268-F278 WeakPolarHBondContact CA-O 3.26Å
269	V	70.3	Confident	56.8	Low	35 Å²	35	101.2 Å²	101.2	21%	0.212	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130	178.1	-148.7	0	0	0	0	109.6	F278 P281 L284	V269-F278 PolarHBondContact N-O 2.98Å; V269-F278 PolarHBondContact O-N 3.48Å; V269-P281 HydrophobicContact CG2-CG 4.09Å; V269-L284 HydrophobicContact CB-CD2 3.97Å; V269-L284 HydrophobicContact CG1-CD2 3.46Å; V269-L284 VanDerWaalsContact CG1-CD2 3.46Å
270	V	69.3	Low	59	Low	47 Å²	47	98.6 Å²	98.6	29%	0.285	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	147.4	179.7	-168.3	0	0	0	0	110.1	R277	V270-R277 HydrophobicContact CG2-CG 4.35Å
271	C	75.1	Confident	61	Low	6 Å²	6	94 Å²	94	4%	0.041	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.9	173	-173.4	0	0	0	0	112.5	R273 C274 R276 F278 L284 H287	C271-R273 PolarHBondContact O-N 3.19Å; C271-C274 PolarHBondContact O-N 3.21Å; C271-R276 PolarHBondContact N-O 2.89Å; C271-R276 VanDerWaalsContact N-O 3.13Å; C271-F278 HydrophobicContact CB-CE2 4.21Å; C271-L284 HydrophobicContact CB-CD1 3.58Å; C271-H287 PolarHBondContact SG-NE2 3.39Å
272	D	66.2	Low	63	Low	117 Å²	117	90.3 Å²	90.3	63%	0.626	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.9	176.6	-11.4	-72.8	0	0	0	114.1	Q288	D272-Q288 PolarHBondContact OD2-NE2 2.63Å
273	R	61.7	Low	65	Low	134 Å²	134	90.5 Å²	90.5	51%	0.506	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-6.6	-176.7	-63.7	-179.9	172.6	-154.8	-12	114.6	C271 H292 H294	C271-R273 PolarHBondContact O-N 3.19Å; R273-H292 VanDerWaalsContact CB-CE1 3.49Å; R273-H292 WeakPolarHBondContact CB-CE1 3.43Å; R273-H292 PolarHBondContact NH1-O 2.6Å; R273-H294 PolarHBondContact NH1-O 3.33Å
274	C	67.8	Low	66.9	Low	32 Å²	32	81.4 Å²	81.4	22%	0.216	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	155	171.2	87.9	0	0	0	0	112.4	C271 R276 H287	C271-C274 PolarHBondContact O-N 3.21Å; C274-R276 PolarHBondContact O-N 3.04Å; C274-H287 VanDerWaalsContact SG-CE1 3.59Å; C274-H287 PolarHBondContact SG-NE2 3.4Å
275	P	62.3	Low	68.8	Low	135 Å²	135	81.8 Å²	81.8	88%	0.877	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	33.2	-174.4	32.7	-38.2	0	0	0	114.8
276	R	63.6	Low	70	Confident	159 Å²	159	79.3 Å²	79.3	60%	0.6	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.5	173	-71.7	-175.3	175.7	-141.1	0.1	110.8	C271 C274 F278	C271-R276 PolarHBondContact N-O 2.89Å; C271-R276 VanDerWaalsContact N-O 3.13Å; C274-R276 PolarHBondContact O-N 3.04Å; R276-F278 HydrophobicContact CB-CD2 4.47Å; R276-F278 HydrophobicContact CB-CE2 3.51Å; R276-F278 HydrophobicContact CB-CZ 3.7Å
277	R	75.7	Confident	71.1	Confident	134 Å²	134	76.8 Å²	76.8	51%	0.506	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.7	172.2	-59	-174.9	174	-113.6	-2.7	109.3	Q268 V270	Q268-R277 HydrophobicContact CB-CB 4.36Å; Q268-R277 VanDerWaalsContact OE1-CD 3.32Å; V270-R277 HydrophobicContact CG2-CG 4.35Å
278	F	78.2	Confident	71.7	Confident	23 Å²	23	76.6 Å²	76.6	10%	0.101	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.5	-178.7	-65.1	-84.5	0	0	0	110.7	Q268 V269 C271 R276 N280 Q283 L284 H287	Q268-F278 CarbonylContact C-O 3.59Å; Q268-F278 WeakPolarHBondContact CA-O 3.26Å; V269-F278 PolarHBondContact N-O 2.98Å; V269-F278 PolarHBondContact O-N 3.48Å; C271-F278 HydrophobicContact CB-CE2 4.21Å; R276-F278 HydrophobicContact CB-CD2 4.47Å; R276-F278 HydrophobicContact CB-CE2 3.51Å; R276-F278 HydrophobicContact CB-CZ 3.7Å; F278-N280 PolarHBondContact O-N 2.8Å; F278-Q283 HydrophobicContact CB-CB 4.34Å; F278-Q283 HydrophobicContact CD1-CB 3.91Å; F278-Q283 HydrophobicContact CG-CB 4.49Å; F278-L284 HydrophobicContact CB-CB 4.27Å; F278-L284 HydrophobicContact CD2-CB 4.26Å; F278-L284 HydrophobicContact CD2-CD1 4.03Å; F278-L284 HydrophobicContact CE2-CD1 4.33Å; F278-L284 HydrophobicContact CG-CB 4.35Å; F278-H287 HydrophobicContact CE1-CB 3.76Å; F278-H287 AromaticContact CE1-CG 3.99Å; F278-H287 HydrophobicContact CE2-CB 4.07Å; F278-H287 AromaticContact CE2-CD2 3.19Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.42Å; F278-H287 AromaticContact CE2-CG 3.69Å; F278-H287 AromaticContact CE2-NE2 3.83Å; F278-H287 HydrophobicContact CZ-CB 3.48Å; F278-H287 VanDerWaalsContact CZ-CB 3.48Å; F278-H287 AromaticContact CZ-CD2 3.23Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.28Å; F278-H287 AromaticContact CZ-CG 3.21Å; F278-H287 AromaticContact CZ-ND1 3.84Å; F278-H287 AromaticContact CZ-NE2 3.84Å
279	P	73.6	Confident	72.2	Confident	84 Å²	84	77.8 Å²	77.8	55%	0.545	40%	0.398	S	S	.	.	S	Bend	trans	-74.1	-7.4	-177.5	31.4	-37.2	0	0	0	114.1	Q283	P279-Q283 VanDerWaalsContact CD-OE1 3.29Å
280	N	77.4	Confident	71.7	Confident	67 Å²	67	82 Å²	82	36%	0.358	42%	0.417	S	S	.	.	S	Bend	trans	-155.3	161.2	172.1	63.2	31.2	0	0	0	112.6	F278 G282 Q283 L284	F278-N280 PolarHBondContact O-N 2.8Å; N280-G282 PolarHBondContact O-N 2.88Å; N280-G282 PolarHBondContact OD1-N 3.19Å; N280-Q283 PolarHBondContact O-N 3.1Å; N280-Q283 WeakPolarHBondContact OD1-CB 3.22Å; N280-Q283 WeakPolarHBondContact OD1-CG 3.26Å; N280-Q283 PolarHBondContact OD1-N 3Å; N280-L284 PolarHBondContact O-N 2.91Å
281	P	76.4	Confident	71.4	Confident	91 Å²	91	83.8 Å²	83.8	59%	0.591	43%	0.428	S	S	*	.	H	α-helix	trans	-61.8	-27.8	176.8	-24	34.1	0	0	0	113.9	V269 L284 K285	V269-P281 HydrophobicContact CG2-CG 4.09Å; P281-L284 PolarHBondContact O-N 3.42Å; P281-K285 WeakPolarHBondContact O-CB 3.46Å; P281-K285 PolarHBondContact O-N 2.96Å
282	G	77.9	Confident	70.8	Confident	49 Å²	49	85.5 Å²	85.5	51%	0.505	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-47.2	178.9	0	0	0	0	0	112.7	N280 K285 Q286	N280-G282 PolarHBondContact O-N 2.88Å; N280-G282 PolarHBondContact OD1-N 3.19Å; G282-K285 PolarHBondContact O-N 3.4Å; G282-Q286 WeakPolarHBondContact O-CB 3.46Å; G282-Q286 PolarHBondContact O-N 3.4Å
283	Q	76.3	Confident	70.2	Confident	86 Å²	86	83.9 Å²	83.9	40%	0.402	43%	0.431	S	S	.	.	H	α-helix	trans	-69.7	-32	175.4	-70.7	179.8	15	0	0	112.3	F278 P279 N280 H287	F278-Q283 HydrophobicContact CB-CB 4.34Å; F278-Q283 HydrophobicContact CD1-CB 3.91Å; F278-Q283 HydrophobicContact CG-CB 4.49Å; P279-Q283 VanDerWaalsContact CD-OE1 3.29Å; N280-Q283 PolarHBondContact O-N 3.1Å; N280-Q283 WeakPolarHBondContact OD1-CB 3.22Å; N280-Q283 WeakPolarHBondContact OD1-CG 3.26Å; N280-Q283 PolarHBondContact OD1-N 3Å; Q283-H287 WeakPolarHBondContact O-CB 3.23Å; Q283-H287 PolarHBondContact O-N 3.2Å
284	L	77.5	Confident	69.7	Low	15 Å²	15	82.8 Å²	82.8	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-62.4	-48	170.4	172.2	59.9	0	0	0	111.2	V269 C271 F278 N280 P281 H287 Q288	V269-L284 HydrophobicContact CB-CD2 3.97Å; V269-L284 HydrophobicContact CG1-CD2 3.46Å; V269-L284 VanDerWaalsContact CG1-CD2 3.46Å; C271-L284 HydrophobicContact CB-CD1 3.58Å; F278-L284 HydrophobicContact CB-CB 4.27Å; F278-L284 HydrophobicContact CD2-CB 4.26Å; F278-L284 HydrophobicContact CD2-CD1 4.03Å; F278-L284 HydrophobicContact CE2-CD1 4.33Å; F278-L284 HydrophobicContact CG-CB 4.35Å; N280-L284 PolarHBondContact O-N 2.91Å; P281-L284 PolarHBondContact O-N 3.42Å; L284-H287 CarbonylContact O-C 3.43Å; L284-H287 WeakPolarHBondContact O-CB 3.37Å; L284-H287 PolarHBondContact O-N 2.83Å; L284-Q288 HydrophobicContact CD1-CG 4.07Å; L284-Q288 WeakPolarHBondContact O-CG 3.4Å; L284-Q288 PolarHBondContact O-N 2.93Å
285	K	75.1	Confident	68.8	Low	125 Å²	125	91.2 Å²	91.2	54%	0.543	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-46.4	177.6	-178.2	173.1	174.2	178.4	0	111.4	P281 G282 H287 Q288 E289	P281-K285 WeakPolarHBondContact O-CB 3.46Å; P281-K285 PolarHBondContact O-N 2.96Å; G282-K285 PolarHBondContact O-N 3.4Å; K285-H287 VanDerWaalsContact C-N 3.26Å; K285-H287 PolarHBondContact O-N 3.04Å; K285-Q288 PolarHBondContact O-N 3.08Å; K285-Q288 VanDerWaalsContact O-N 3.16Å; K285-E289 WeakPolarHBondContact CE-OE1 3.12Å; K285-E289 HydrophobicContact CG-CG 4.49Å; K285-E289 IonicContact NZ-OE1 3.27Å; K285-E289 WeakPolarHBondContact O-CB 3.48Å; K285-E289 WeakPolarHBondContact O-CG 3.31Å; K285-E289 PolarHBondContact O-N 2.86Å
286	Q	75	Confident	68.2	Low	106 Å²	106	86.8 Å²	86.8	50%	0.495	44%	0.443	S	S	.	.	H	α-helix	trans	-59.5	-37.6	175	-157.7	-168.9	7.5	0	0	111.6	G282 M290	G282-Q286 WeakPolarHBondContact O-CB 3.46Å; G282-Q286 PolarHBondContact O-N 3.4Å; Q286-M290 HydrophobicContact CG-CE 3.82Å; Q286-M290 HydrophobicContact CG-SD 4.19Å; Q286-M290 VanDerWaalsContact O-CB 3.29Å; Q286-M290 WeakPolarHBondContact O-CB 3.35Å; Q286-M290 WeakPolarHBondContact O-CG 3.2Å; Q286-M290 PolarHBondContact O-N 3.01Å
287	H	76.6	Confident	67.8	Low	8 Å²	8	83.1 Å²	83.1	4%	0.037	45%	0.447	C	S	.	.	H	α-helix	trans	-67.9	-44	173.7	165.3	56.8	0	0	0	112.8	C271 C274 F278 Q283 L284 K285 E289 M290 V291 H292	C271-H287 PolarHBondContact SG-NE2 3.39Å; C274-H287 VanDerWaalsContact SG-CE1 3.59Å; C274-H287 PolarHBondContact SG-NE2 3.4Å; F278-H287 HydrophobicContact CE1-CB 3.76Å; F278-H287 AromaticContact CE1-CG 3.99Å; F278-H287 HydrophobicContact CE2-CB 4.07Å; F278-H287 AromaticContact CE2-CD2 3.19Å; F278-H287 WeakPolarHBondContact CE2-CD2 3.42Å; F278-H287 AromaticContact CE2-CG 3.69Å; F278-H287 AromaticContact CE2-NE2 3.83Å; F278-H287 HydrophobicContact CZ-CB 3.48Å; F278-H287 VanDerWaalsContact CZ-CB 3.48Å; F278-H287 AromaticContact CZ-CD2 3.23Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.28Å; F278-H287 AromaticContact CZ-CG 3.21Å; F278-H287 AromaticContact CZ-ND1 3.84Å; F278-H287 AromaticContact CZ-NE2 3.84Å; Q283-H287 WeakPolarHBondContact O-CB 3.23Å; Q283-H287 PolarHBondContact O-N 3.2Å; L284-H287 CarbonylContact O-C 3.43Å; L284-H287 WeakPolarHBondContact O-CB 3.37Å; L284-H287 PolarHBondContact O-N 2.83Å; K285-H287 VanDerWaalsContact C-N 3.26Å; K285-H287 PolarHBondContact O-N 3.04Å; H287-E289 VanDerWaalsContact C-N 3.32Å; H287-E289 PolarHBondContact O-N 3.48Å; H287-M290 PolarHBondContact O-N 3.41Å; H287-V291 VanDerWaalsContact ND1-CG2 3.3Å; H287-V291 WeakPolarHBondContact ND1-CG2 3.38Å; H287-V291 WeakPolarHBondContact O-CA 3.45Å; H287-V291 VanDerWaalsContact O-CB 3.26Å; H287-V291 WeakPolarHBondContact O-CB 3.39Å; H287-V291 PolarHBondContact O-N 2.91Å; H287-H292 AromaticContact CE1-CD2 3.96Å; H287-H292 AromaticContact CE1-NE2 3.7Å; H287-H292 AromaticContact NE2-CD2 3.84Å; H287-H292 AromaticContact NE2-NE2 3.6Å
288	Q	72.2	Confident	66.7	Low	64 Å²	64	79.6 Å²	79.6	30%	0.299	44%	0.436	S	S	.	.	H	α-helix	trans	-60.6	-42.3	175	-74.3	168.8	-26.1	0	0	110.8	D272 L284 K285 H292	D272-Q288 PolarHBondContact OD2-NE2 2.63Å; L284-Q288 HydrophobicContact CD1-CG 4.07Å; L284-Q288 WeakPolarHBondContact O-CG 3.4Å; L284-Q288 PolarHBondContact O-N 2.93Å; K285-Q288 PolarHBondContact O-N 3.08Å; K285-Q288 VanDerWaalsContact O-N 3.16Å; Q288-H292 CarbonylContact O-C 3.46Å; Q288-H292 WeakPolarHBondContact O-CA 3.42Å; Q288-H292 WeakPolarHBondContact O-CB 3.36Å; Q288-H292 PolarHBondContact O-N 3.18Å
289	E	67.6	Low	65.6	Low	116 Å²	116	85.4 Å²	85.4	54%	0.542	46%	0.458	S	S	.	.	H	α-helix	trans	-68.9	-39.7	177.4	-71.1	170.3	175.3	0	0	112.9	K285 H287	K285-E289 WeakPolarHBondContact CE-OE1 3.12Å; K285-E289 HydrophobicContact CG-CG 4.49Å; K285-E289 IonicContact NZ-OE1 3.27Å; K285-E289 WeakPolarHBondContact O-CB 3.48Å; K285-E289 WeakPolarHBondContact O-CG 3.31Å; K285-E289 PolarHBondContact O-N 2.86Å; H287-E289 VanDerWaalsContact C-N 3.32Å; H287-E289 PolarHBondContact O-N 3.48Å
290	M	59.6	Low	65	Low	124 Å²	124	81.4 Å²	81.4	61%	0.611	43%	0.432	S	S	*	.	H	α-helix	trans	-84.4	-28.4	-178.8	-67.7	-172.6	-52.9	0	0	114.7	Q286 H287	Q286-M290 HydrophobicContact CG-CE 3.82Å; Q286-M290 HydrophobicContact CG-SD 4.19Å; Q286-M290 VanDerWaalsContact O-CB 3.29Å; Q286-M290 WeakPolarHBondContact O-CB 3.35Å; Q286-M290 WeakPolarHBondContact O-CG 3.2Å; Q286-M290 PolarHBondContact O-N 3.01Å; H287-M290 PolarHBondContact O-N 3.41Å
291	V	63.2	Low	63.9	Low	84 Å²	84	86.6 Å²	86.6	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-115.4	-23.9	-171.7	-173.3	0	0	0	0	112.7	H287	H287-V291 VanDerWaalsContact ND1-CG2 3.3Å; H287-V291 WeakPolarHBondContact ND1-CG2 3.38Å; H287-V291 WeakPolarHBondContact O-CA 3.45Å; H287-V291 VanDerWaalsContact O-CB 3.26Å; H287-V291 WeakPolarHBondContact O-CB 3.39Å; H287-V291 PolarHBondContact O-N 2.91Å
292	H	63.8	Low	62.9	Low	42 Å²	42	84.8 Å²	84.8	19%	0.194	43%	0.43	C	S	.	.			trans	-125.1	42	179.6	-57.4	-68.8	0	0	0	114.3	R273 H287 Q288 H294	R273-H292 VanDerWaalsContact CB-CE1 3.49Å; R273-H292 WeakPolarHBondContact CB-CE1 3.43Å; R273-H292 PolarHBondContact NH1-O 2.6Å; H287-H292 AromaticContact CE1-CD2 3.96Å; H287-H292 AromaticContact CE1-NE2 3.7Å; H287-H292 AromaticContact NE2-CD2 3.84Å; H287-H292 AromaticContact NE2-NE2 3.6Å; Q288-H292 CarbonylContact O-C 3.46Å; Q288-H292 WeakPolarHBondContact O-CA 3.42Å; Q288-H292 WeakPolarHBondContact O-CB 3.36Å; Q288-H292 PolarHBondContact O-N 3.18Å; H292-H294 PolarHBondContact O-N 2.89Å
293	P	52.5	Low	62.1	Low	83 Å²	83	84.4 Å²	84.4	54%	0.539	42%	0.419	S	S	.	.			trans	-64.2	-7.9	-167.2	25.5	-36.4	0	0	0	116.8
294	H	51.1	Low	60.9	Low	111 Å²	111	88 Å²	88	51%	0.514	44%	0.436	S	S	.	.			trans	-110.6	135	-177.3	-63.7	-71.8	0	0	0	112.1	R273 H292	R273-H294 PolarHBondContact NH1-O 3.33Å; H292-H294 PolarHBondContact O-N 2.89Å
295	K	48.8	Very low	59.5	Low	209 Å²	209	94.6 Å²	94.6	91%	0.909	46%	0.46	S	S	*	.	S	Bend	trans	-86.8	-9.9	177	-79.3	-170	173.4	-174.7	0	114.5
296	G	50.5	Low	58.2	Low	42 Å²	42	95.5 Å²	95.5	43%	0.433	47%	0.466	S	S	.	.			trans	-114.4	124.5	175.6	0	0	0	0	0	111.8
297	A	54.2	Low	57.3	Low	82 Å²	82	92.5 Å²	92.5	68%	0.678	45%	0.454	S	S	*	.			trans	-113.8	115.9	169.9	0	0	0	0	0	108.4
298	F	53.7	Low	56.1	Low	61 Å²	61	99.3 Å²	99.3	27%	0.268	48%	0.484	S	S	.	.			trans	-92.1	119.4	-176.6	-62.6	-87.1	0	0	0	111.1	F309 E312 F315	F298-F309 HydrophobicContact CB-CB 4.47Å; F298-F309 HydrophobicContact CB-CD2 4.37Å; F298-E312 HydrophobicContact CE1-CB 3.97Å; F298-E312 HydrophobicContact CE1-CG 3.75Å; F298-E312 HydrophobicContact CE2-CB 4.09Å; F298-E312 HydrophobicContact CZ-CB 3.53Å; F298-E312 HydrophobicContact CZ-CG 3.87Å; F298-F315 HydrophobicContact CB-CB 3.72Å; F298-F315 HydrophobicContact CB-CD1 3.7Å; F298-F315 HydrophobicContact CB-CD2 3.53Å; F298-F315 HydrophobicContact CB-CE1 4.08Å; F298-F315 HydrophobicContact CB-CE2 3.92Å; F298-F315 HydrophobicContact CB-CG 3.38Å; F298-F315 HydrophobicContact CB-CZ 4.17Å; F298-F315 HydrophobicContact CD1-CB 4.28Å; F298-F315 AromaticContact CD1-CD1 3.5Å; F298-F315 HydrophobicContact CD1-CD1 3.5Å; F298-F315 VanDerWaalsContact CD1-CD1 3.5Å; F298-F315 AromaticContact CD1-CE1 3.92Å; F298-F315 HydrophobicContact CD1-CE1 3.92Å; F298-F315 HydrophobicContact CD1-CG 4.01Å; F298-F315 HydrophobicContact CD2-CB 4.27Å; F298-F315 HydrophobicContact CE1-CD1 4.39Å; F298-F315 HydrophobicContact CG-CB 3.84Å; F298-F315 AromaticContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CD2 4.44Å; F298-F315 HydrophobicContact CG-CE1 4.4Å; F298-F315 AromaticContact CG-CG 3.81Å; F298-F315 HydrophobicContact CG-CG 3.81Å
299	Y	55	Low	55.6	Low	144 Å²	144	97.6 Å²	97.6	57%	0.565	48%	0.476	S	S	*	.			trans	-92.1	126.4	179.2	171	-105.3	0	0	0	111.4	R301 F315	Y299-R301 HydrophobicContact CE1-CB 4.08Å; Y299-R301 PolarHBondContact O-N 2.99Å; Y299-F315 WeakPolarHBondContact O-CE2 3.14Å; Y299-F315 VanDerWaalsContact O-CZ 3.31Å; Y299-F315 WeakPolarHBondContact O-CZ 3.42Å
300	C	61.4	Low	54.9	Low	1 Å²	1	95.9 Å²	95.9	1%	0.007	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-95.1	99.1	174.4	-164.6	0	0	0	0	112.2	F302 C303 F309 F315 H318 H323	C300-F302 PolarHBondContact O-N 3.49Å; C300-F302 VanDerWaalsContact O-N 3.11Å; C300-C303 HydrophobicContact CB-CB 4.02Å; C300-C303 PolarHBondContact O-N 2.89Å; C300-F309 HydrophobicContact CB-CE2 4.49Å; C300-F315 HydrophobicContact CB-CE2 4.01Å; C300-H318 VanDerWaalsContact CB-NE2 3.33Å; C300-H318 WeakPolarHBondContact CB-NE2 3.49Å; C300-H318 PolarHBondContact SG-NE2 2.94Å; C300-H323 VanDerWaalsContact SG-CD2 3.55Å
301	R	53.4	Low	55	Low	175 Å²	175	92.1 Å²	92.1	66%	0.66	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-34	177.1	-173.7	176.8	179.1	120.7	-3.6	114.6	E253 Y299	E253-R301 IonicContact OE1-NH1 3.9Å; E253-R301 PolarHBondContact OE1-NH1 3.4Å; Y299-R301 HydrophobicContact CE1-CB 4.08Å; Y299-R301 PolarHBondContact O-N 2.99Å
302	F	56.7	Low	54.8	Low	53 Å²	53	93 Å²	93	23%	0.232	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.9	-177.4	-52.5	-73.9	0	0	0	114.8	C300 H323 M326 M327 E330	C300-F302 PolarHBondContact O-N 3.49Å; C300-F302 VanDerWaalsContact O-N 3.11Å; F302-H323 HydrophobicContact CB-CB 4.31Å; F302-H323 WeakPolarHBondContact CB-CE1 2.77Å; F302-H323 VanDerWaalsContact CB-CG 3.49Å; F302-H323 WeakPolarHBondContact CB-ND1 3.33Å; F302-H323 HydrophobicContact CD2-CB 3.84Å; F302-H323 AromaticContact CD2-CG 3.75Å; F302-H323 HydrophobicContact CE2-CB 4.37Å; F302-H323 HydrophobicContact CG-CB 4.18Å; F302-H323 AromaticContact CG-CG 3.86Å; F302-H323 AromaticContact CG-ND1 3.94Å; F302-H323 PolarHBondContact O-CE1 3.41Å; F302-M326 HydrophobicContact CB-SD 4.47Å; F302-M326 HydrophobicContact CD1-CE 3.72Å; F302-M326 HydrophobicContact CD1-SD 4.22Å; F302-M326 HydrophobicContact CE1-CE 4.34Å; F302-M327 HydrophobicContact CE2-SD 4.08Å; F302-M327 HydrophobicContact CZ-SD 4.24Å; F302-E330 VanDerWaalsContact CE1-OE2 3.29Å; F302-E330 WeakPolarHBondContact CE1-OE2 3.38Å; F302-E330 WeakPolarHBondContact CZ-OE2 3.41Å
303	C	59.7	Low	55	Low	42 Å²	42	94 Å²	94	28%	0.284	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-1.8	-170.4	-149.2	0	0	0	0	113.8	C300 R305	C300-C303 HydrophobicContact CB-CB 4.02Å; C300-C303 PolarHBondContact O-N 2.89Å; C303-R305 WeakPolarHBondContact O-CG 3.49Å; C303-R305 PolarHBondContact O-N 2.99Å
304	E	51.7	Low	55.5	Low	162 Å²	162	93.7 Å²	93.7	76%	0.757	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	25.6	176.2	-63.4	173.9	-172.9	0	0	114.4
305	R	48.1	Very low	56.4	Low	153 Å²	153	90.1 Å²	90.1	58%	0.577	45%	0.451	S	S	*	.	B	Isolated β-bridge	trans	-148.8	139.9	-172	-70.5	-175.9	175.1	-169.7	-3.1	111.7	C303 V307	C303-R305 WeakPolarHBondContact O-CG 3.49Å; C303-R305 PolarHBondContact O-N 2.99Å; R305-V307 VanDerWaalsContact C-N 3.34Å; R305-V307 HydrophobicContact CB-CG2 4.08Å; R305-V307 PolarHBondContact O-N 3.27Å
306	E	48	Very low	57.2	Low	144 Å²	144	84.2 Å²	84.2	67%	0.673	43%	0.427	S	S	*	.			trans	-66.8	90.7	164.7	-64.7	177.8	171.7	0	0	109.9	F308	E306-F308 HydrophobicContact CB-CE2 4.2Å
307	V	54.7	Low	58.2	Low	42 Å²	42	84.3 Å²	84.3	26%	0.255	42%	0.421	S	S	.	.			trans	-102.9	107.5	171	-173.4	0	0	0	0	107.9	R305 F309	R305-V307 VanDerWaalsContact C-N 3.34Å; R305-V307 HydrophobicContact CB-CG2 4.08Å; R305-V307 PolarHBondContact O-N 3.27Å; V307-F309 HydrophobicContact CB-CE2 3.72Å; V307-F309 HydrophobicContact CB-CZ 3.66Å; V307-F309 HydrophobicContact CG1-CE1 3.75Å; V307-F309 HydrophobicContact CG1-CE2 3.82Å; V307-F309 HydrophobicContact CG1-CZ 3.31Å; V307-F309 WeakPolarHBondContact O-CD2 3.43Å; V307-F309 WeakPolarHBondContact O-CE2 3.49Å; V307-F309 PolarHBondContact O-N 3.37Å; V307-F309 VanDerWaalsContact O-N 3.16Å
308	F	53.2	Low	59.1	Low	152 Å²	152	81.5 Å²	81.5	67%	0.667	39%	0.394	S	S	*	.			trans	-72.9	105.4	-178.5	-67.6	-90.9	0	0	0	111.1	E306	E306-F308 HydrophobicContact CB-CE2 4.2Å
309	F	60.2	Low	59.8	Low	27 Å²	27	79.9 Å²	79.9	12%	0.118	39%	0.387	C	S	.	.			trans	-88.9	123.6	174.8	-63.4	-72.1	0	0	0	111.4	F298 C300 V307 S311 N314 F315 H318	F298-F309 HydrophobicContact CB-CB 4.47Å; F298-F309 HydrophobicContact CB-CD2 4.37Å; C300-F309 HydrophobicContact CB-CE2 4.49Å; V307-F309 HydrophobicContact CB-CE2 3.72Å; V307-F309 HydrophobicContact CB-CZ 3.66Å; V307-F309 HydrophobicContact CG1-CE1 3.75Å; V307-F309 HydrophobicContact CG1-CE2 3.82Å; V307-F309 HydrophobicContact CG1-CZ 3.31Å; V307-F309 WeakPolarHBondContact O-CD2 3.43Å; V307-F309 WeakPolarHBondContact O-CE2 3.49Å; V307-F309 PolarHBondContact O-N 3.37Å; V307-F309 VanDerWaalsContact O-N 3.16Å; F309-S311 PolarHBondContact O-N 3.23Å; F309-S311 VanDerWaalsContact O-N 3.14Å; F309-N314 HydrophobicContact CB-CB 4.38Å; F309-N314 HydrophobicContact CD1-CB 4.34Å; F309-F315 HydrophobicContact CB-CB 4Å; F309-F315 HydrophobicContact CD2-CB 4.15Å; F309-F315 AromaticContact CD2-CD2 3.63Å; F309-F315 HydrophobicContact CD2-CD2 3.63Å; F309-F315 HydrophobicContact CD2-CG 4.35Å; F309-F315 AromaticContact CE2-CD2 3.94Å; F309-F315 HydrophobicContact CE2-CD2 3.94Å; F309-F315 HydrophobicContact CG-CB 4.03Å; F309-F315 HydrophobicContact CG-CD2 4.35Å; F309-H318 HydrophobicContact CD1-CB 4.22Å; F309-H318 HydrophobicContact CE1-CB 3.43Å; F309-H318 VanDerWaalsContact CE1-CB 3.43Å; F309-H318 AromaticContact CE1-CD2 3.98Å; F309-H318 AromaticContact CE1-CG 3.64Å; F309-H318 HydrophobicContact CE2-CB 4.37Å; F309-H318 AromaticContact CE2-CD2 3.5Å; F309-H318 VanDerWaalsContact CE2-CD2 3.5Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.49Å; F309-H318 HydrophobicContact CZ-CB 3.54Å; F309-H318 AromaticContact CZ-CD2 3.11Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.18Å; F309-H318 AromaticContact CZ-CG 3.21Å; F309-H318 AromaticContact CZ-ND1 3.81Å; F309-H318 AromaticContact CZ-NE2 3.65Å
310	P	53.8	Low	60.3	Low	80 Å²	80	80.2 Å²	80.2	52%	0.519	39%	0.388	S	S	.	.	S	Bend	trans	-67.3	-10	-179	-23.8	34.1	0	0	0	116
311	S	61.3	Low	60.4	Low	45 Å²	45	87.1 Å²	87.1	32%	0.315	42%	0.424	S	S	.	.	S	Bend	trans	-161.1	158.8	-178.7	64.9	0	0	0	0	110.7	F309 A313 N314 F315	F309-S311 PolarHBondContact O-N 3.23Å; F309-S311 VanDerWaalsContact O-N 3.14Å; S311-A313 VanDerWaalsContact C-N 3.29Å; S311-A313 PolarHBondContact O-N 3.21Å; S311-N314 WeakPolarHBondContact O-CB 3.45Å; S311-N314 PolarHBondContact O-N 3.04Å; S311-N314 VanDerWaalsContact O-N 3.12Å; S311-N314 VanDerWaalsContact OG-CG 3.28Å; S311-N314 PolarHBondContact OG-N 3.43Å; S311-N314 PolarHBondContact OG-ND2 2.94Å; S311-F315 PolarHBondContact O-N 3.31Å; S311-F315 VanDerWaalsContact O-N 3.09Å
312	E	58.9	Low	61	Low	104 Å²	104	82.1 Å²	82.1	49%	0.486	42%	0.415	S	S	.	.	H	α-helix	trans	-60.6	-40	174.3	-164.8	-173.6	151.4	0	0	111.6	F298 N314 F315 Q316	F298-E312 HydrophobicContact CE1-CB 3.97Å; F298-E312 HydrophobicContact CE1-CG 3.75Å; F298-E312 HydrophobicContact CE2-CB 4.09Å; F298-E312 HydrophobicContact CZ-CB 3.53Å; F298-E312 HydrophobicContact CZ-CG 3.87Å; E312-N314 PolarHBondContact O-N 3.47Å; E312-F315 CarbonylContact O-C 3.52Å; E312-F315 WeakPolarHBondContact O-CA 3.5Å; E312-F315 WeakPolarHBondContact O-CB 3.35Å; E312-F315 PolarHBondContact O-N 3.46Å; E312-Q316 HydrophobicContact CG-CG 4.3Å; E312-Q316 PolarHBondContact O-N 2.91Å; E312-Q316 PolarHBondContact OE1-NE2 3.44Å
313	A	68.6	Low	61.6	Low	61 Å²	61	80.2 Å²	80.2	50%	0.504	41%	0.407	S	S	.	.	H	α-helix	trans	-57.9	-35.5	175.4	0	0	0	0	0	112.5	S311 S317	S311-A313 VanDerWaalsContact C-N 3.29Å; S311-A313 PolarHBondContact O-N 3.21Å; A313-S317 WeakPolarHBondContact O-CB 3.3Å; A313-S317 PolarHBondContact O-N 3.49Å; A313-S317 PolarHBondContact O-OG 2.95Å
314	N	63.1	Low	61.8	Low	78 Å²	78	81.7 Å²	81.7	42%	0.417	41%	0.408	S	S	.	.	H	α-helix	trans	-72.7	-36.4	174.2	-73	-24.2	0	0	0	112	F309 S311 E312 S317 H318	F309-N314 HydrophobicContact CB-CB 4.38Å; F309-N314 HydrophobicContact CD1-CB 4.34Å; S311-N314 WeakPolarHBondContact O-CB 3.45Å; S311-N314 PolarHBondContact O-N 3.04Å; S311-N314 VanDerWaalsContact O-N 3.12Å; S311-N314 VanDerWaalsContact OG-CG 3.28Å; S311-N314 PolarHBondContact OG-N 3.43Å; S311-N314 PolarHBondContact OG-ND2 2.94Å; E312-N314 PolarHBondContact O-N 3.47Å; N314-S317 PolarHBondContact O-N 2.84Å; N314-H318 WeakPolarHBondContact O-CB 3.07Å; N314-H318 PolarHBondContact O-N 3.47Å
315	F	68.9	Low	62	Low	36 Å²	36	75.6 Å²	75.6	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-67.3	-50.2	174.9	175.9	-122.9	0	0	0	112.6	F298 Y299 C300 F309 S311 E312 S317 H318 I319	F298-F315 HydrophobicContact CB-CB 3.72Å; F298-F315 HydrophobicContact CB-CD1 3.7Å; F298-F315 HydrophobicContact CB-CD2 3.53Å; F298-F315 HydrophobicContact CB-CE1 4.08Å; F298-F315 HydrophobicContact CB-CE2 3.92Å; F298-F315 HydrophobicContact CB-CG 3.38Å; F298-F315 HydrophobicContact CB-CZ 4.17Å; F298-F315 HydrophobicContact CD1-CB 4.28Å; F298-F315 AromaticContact CD1-CD1 3.5Å; F298-F315 HydrophobicContact CD1-CD1 3.5Å; F298-F315 VanDerWaalsContact CD1-CD1 3.5Å; F298-F315 AromaticContact CD1-CE1 3.92Å; F298-F315 HydrophobicContact CD1-CE1 3.92Å; F298-F315 HydrophobicContact CD1-CG 4.01Å; F298-F315 HydrophobicContact CD2-CB 4.27Å; F298-F315 HydrophobicContact CE1-CD1 4.39Å; F298-F315 HydrophobicContact CG-CB 3.84Å; F298-F315 AromaticContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CD1 3.81Å; F298-F315 HydrophobicContact CG-CD2 4.44Å; F298-F315 HydrophobicContact CG-CE1 4.4Å; F298-F315 AromaticContact CG-CG 3.81Å; F298-F315 HydrophobicContact CG-CG 3.81Å; Y299-F315 WeakPolarHBondContact O-CE2 3.14Å; Y299-F315 VanDerWaalsContact O-CZ 3.31Å; Y299-F315 WeakPolarHBondContact O-CZ 3.42Å; C300-F315 HydrophobicContact CB-CE2 4.01Å; F309-F315 HydrophobicContact CB-CB 4Å; F309-F315 HydrophobicContact CD2-CB 4.15Å; F309-F315 AromaticContact CD2-CD2 3.63Å; F309-F315 HydrophobicContact CD2-CD2 3.63Å; F309-F315 HydrophobicContact CD2-CG 4.35Å; F309-F315 AromaticContact CE2-CD2 3.94Å; F309-F315 HydrophobicContact CE2-CD2 3.94Å; F309-F315 HydrophobicContact CG-CB 4.03Å; F309-F315 HydrophobicContact CG-CD2 4.35Å; S311-F315 PolarHBondContact O-N 3.31Å; S311-F315 VanDerWaalsContact O-N 3.09Å; E312-F315 CarbonylContact O-C 3.52Å; E312-F315 WeakPolarHBondContact O-CA 3.5Å; E312-F315 WeakPolarHBondContact O-CB 3.35Å; E312-F315 PolarHBondContact O-N 3.46Å; F315-S317 PolarHBondContact O-N 2.94Å; F315-H318 WeakPolarHBondContact O-CA 3.14Å; F315-H318 WeakPolarHBondContact O-CB 3.41Å; F315-H318 PolarHBondContact O-N 2.86Å; F315-I319 HydrophobicContact CD1-CD1 4.08Å; F315-I319 HydrophobicContact CD2-CD1 4.3Å; F315-I319 HydrophobicContact CE1-CD1 3.7Å; F315-I319 HydrophobicContact CE2-CD1 3.95Å; F315-I319 HydrophobicContact CE2-CG1 4.34Å; F315-I319 HydrophobicContact CG-CD1 4.38Å; F315-I319 HydrophobicContact CZ-CD1 3.65Å; F315-I319 PolarHBondContact O-N 2.77Å
316	Q	66.2	Low	62.4	Low	85 Å²	85	72.4 Å²	72.4	40%	0.397	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-32.6	173.5	-68	-167.9	15.7	0	0	112	E312 R320	E312-Q316 HydrophobicContact CG-CG 4.3Å; E312-Q316 PolarHBondContact O-N 2.91Å; E312-Q316 PolarHBondContact OE1-NE2 3.44Å; Q316-R320 WeakPolarHBondContact O-CB 3.49Å; Q316-R320 VanDerWaalsContact O-CG 3.27Å; Q316-R320 WeakPolarHBondContact O-CG 3.39Å; Q316-R320 PolarHBondContact O-N 2.38Å; Q316-R320 PolarHBondContact O-NE 2.77Å
317	S	70.7	Confident	62.7	Low	43 Å²	43	69.7 Å²	69.7	30%	0.301	37%	0.37	S	S	.	.	H	α-helix	trans	-68.8	-38.4	172	-61.9	0	0	0	0	112	A313 N314 F315 R320 L321	A313-S317 WeakPolarHBondContact O-CB 3.3Å; A313-S317 PolarHBondContact O-N 3.49Å; A313-S317 PolarHBondContact O-OG 2.95Å; N314-S317 PolarHBondContact O-N 2.84Å; F315-S317 PolarHBondContact O-N 2.94Å; S317-R320 PolarHBondContact O-N 3.13Å; S317-L321 VanDerWaalsContact O-CB 3.25Å; S317-L321 WeakPolarHBondContact O-CB 3.42Å; S317-L321 WeakPolarHBondContact O-CD1 3.45Å; S317-L321 WeakPolarHBondContact O-CG 3.24Å; S317-L321 PolarHBondContact O-N 2.83Å
318	H	74.4	Confident	62.6	Low	24 Å²	24	71.1 Å²	71.1	11%	0.111	37%	0.374	C	S	.	.	H	α-helix	trans	-63.3	-45.7	172.4	165.6	65.7	0	0	0	112.1	C300 F309 N314 F315 R320 L321 C322 H323	C300-H318 VanDerWaalsContact CB-NE2 3.33Å; C300-H318 WeakPolarHBondContact CB-NE2 3.49Å; C300-H318 PolarHBondContact SG-NE2 2.94Å; F309-H318 HydrophobicContact CD1-CB 4.22Å; F309-H318 HydrophobicContact CE1-CB 3.43Å; F309-H318 VanDerWaalsContact CE1-CB 3.43Å; F309-H318 AromaticContact CE1-CD2 3.98Å; F309-H318 AromaticContact CE1-CG 3.64Å; F309-H318 HydrophobicContact CE2-CB 4.37Å; F309-H318 AromaticContact CE2-CD2 3.5Å; F309-H318 VanDerWaalsContact CE2-CD2 3.5Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.49Å; F309-H318 HydrophobicContact CZ-CB 3.54Å; F309-H318 AromaticContact CZ-CD2 3.11Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.18Å; F309-H318 AromaticContact CZ-CG 3.21Å; F309-H318 AromaticContact CZ-ND1 3.81Å; F309-H318 AromaticContact CZ-NE2 3.65Å; N314-H318 WeakPolarHBondContact O-CB 3.07Å; N314-H318 PolarHBondContact O-N 3.47Å; F315-H318 WeakPolarHBondContact O-CA 3.14Å; F315-H318 WeakPolarHBondContact O-CB 3.41Å; F315-H318 PolarHBondContact O-N 2.86Å; H318-R320 PolarHBondContact O-N 3.15Å; H318-L321 PolarHBondContact O-N 3.19Å; H318-C322 PolarHBondContact ND1-SG 2.54Å; H318-C322 VanDerWaalsContact O-CB 3.3Å; H318-C322 WeakPolarHBondContact O-CB 3.49Å; H318-C322 PolarHBondContact O-N 3.49Å; H318-H323 AromaticContact CE1-NE2 3.73Å; H318-H323 AromaticContact NE2-NE2 3.71Å
319	I	67.9	Low	62.6	Low	26 Å²	26	72.5 Å²	72.5	13%	0.133	37%	0.374	C	S	.	.	I	π-helix	trans	-58.3	-50.3	174.6	-66.2	168.4	0	0	0	110.4	F315 L321 H323 K324 M327	F315-I319 HydrophobicContact CD1-CD1 4.08Å; F315-I319 HydrophobicContact CD2-CD1 4.3Å; F315-I319 HydrophobicContact CE1-CD1 3.7Å; F315-I319 HydrophobicContact CE2-CD1 3.95Å; F315-I319 HydrophobicContact CE2-CG1 4.34Å; F315-I319 HydrophobicContact CG-CD1 4.38Å; F315-I319 HydrophobicContact CZ-CD1 3.65Å; F315-I319 PolarHBondContact O-N 2.77Å; I319-L321 PolarHBondContact O-N 3.4Å; I319-H323 CarbonylContact O-C 3.43Å; I319-H323 WeakPolarHBondContact O-CA 3.27Å; I319-H323 PolarHBondContact O-N 2.93Å; I319-K324 PolarHBondContact O-N 3.36Å; I319-M327 HydrophobicContact CG2-CE 3.84Å; I319-M327 HydrophobicContact CG2-CG 3.8Å; I319-M327 HydrophobicContact CG2-SD 3.59Å; I319-M327 VanDerWaalsContact CG2-SD 3.59Å
320	R	64.5	Low	61.9	Low	151 Å²	151	75.5 Å²	75.5	57%	0.57	39%	0.389	S	S	*	.	I	π-helix	trans	-66	-18.6	179.2	-71.6	-177.9	-67.1	-175.8	-0.1	114.8	Q316 S317 H318 K324	Q316-R320 WeakPolarHBondContact O-CB 3.49Å; Q316-R320 VanDerWaalsContact O-CG 3.27Å; Q316-R320 WeakPolarHBondContact O-CG 3.39Å; Q316-R320 PolarHBondContact O-N 2.38Å; Q316-R320 PolarHBondContact O-NE 2.77Å; S317-R320 PolarHBondContact O-N 3.13Å; H318-R320 PolarHBondContact O-N 3.15Å; R320-K324 WeakPolarHBondContact O-CB 3.46Å
321	L	64.8	Low	61.7	Low	147 Å²	147	74.4 Å²	74.4	77%	0.77	39%	0.386	S	S	*	.	I	π-helix	trans	-102.9	-31.7	179.1	-69.6	171.4	0	0	0	114.1	S317 H318 I319	S317-L321 VanDerWaalsContact O-CB 3.25Å; S317-L321 WeakPolarHBondContact O-CB 3.42Å; S317-L321 WeakPolarHBondContact O-CD1 3.45Å; S317-L321 WeakPolarHBondContact O-CG 3.24Å; S317-L321 PolarHBondContact O-N 2.83Å; H318-L321 PolarHBondContact O-N 3.19Å; I319-L321 PolarHBondContact O-N 3.4Å
322	C	65.3	Low	61.2	Low	69 Å²	69	76.3 Å²	76.3	47%	0.466	41%	0.405	S	S	.	.	I	π-helix	trans	-102.5	-30.7	-176.3	-62.5	0	0	0	0	112.8	H318	H318-C322 PolarHBondContact ND1-SG 2.54Å; H318-C322 VanDerWaalsContact O-CB 3.3Å; H318-C322 WeakPolarHBondContact O-CB 3.49Å; H318-C322 PolarHBondContact O-N 3.49Å
323	H	70.2	Confident	60.9	Low	13 Å²	13	78.1 Å²	78.1	6%	0.06	42%	0.417	C	S	.	.	I	π-helix	trans	-123.1	7.4	-168.8	-55.9	-60.7	0	0	0	114	C300 F302 H318 I319 G325 M326 M327	C300-H323 VanDerWaalsContact SG-CD2 3.55Å; F302-H323 HydrophobicContact CB-CB 4.31Å; F302-H323 WeakPolarHBondContact CB-CE1 2.77Å; F302-H323 VanDerWaalsContact CB-CG 3.49Å; F302-H323 WeakPolarHBondContact CB-ND1 3.33Å; F302-H323 HydrophobicContact CD2-CB 3.84Å; F302-H323 AromaticContact CD2-CG 3.75Å; F302-H323 HydrophobicContact CE2-CB 4.37Å; F302-H323 HydrophobicContact CG-CB 4.18Å; F302-H323 AromaticContact CG-CG 3.86Å; F302-H323 AromaticContact CG-ND1 3.94Å; F302-H323 PolarHBondContact O-CE1 3.41Å; H318-H323 AromaticContact CE1-NE2 3.73Å; H318-H323 AromaticContact NE2-NE2 3.71Å; I319-H323 CarbonylContact O-C 3.43Å; I319-H323 WeakPolarHBondContact O-CA 3.27Å; I319-H323 PolarHBondContact O-N 2.93Å; H323-G325 VanDerWaalsContact C-N 3.27Å; H323-G325 PolarHBondContact O-N 3Å; H323-M326 WeakPolarHBondContact O-CA 3.29Å; H323-M326 PolarHBondContact O-N 3.25Å; H323-M327 WeakPolarHBondContact O-CG 3.48Å; H323-M327 PolarHBondContact O-N 3.37Å
324	K	62.6	Low	59.9	Low	74 Å²	74	81.9 Å²	81.9	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-48.6	-46.1	174.7	179.1	160.9	-177.3	170.8	0	112.3	I319 R320 M326 M327 E328 D387	I319-K324 PolarHBondContact O-N 3.36Å; R320-K324 WeakPolarHBondContact O-CB 3.46Å; K324-M326 PolarHBondContact O-N 2.93Å; K324-M326 VanDerWaalsContact O-N 3.1Å; K324-M327 PolarHBondContact O-N 2.81Å; K324-E328 VanDerWaalsContact C-OE2 3.25Å; K324-E328 WeakPolarHBondContact CE-OE1 3.43Å; K324-E328 VanDerWaalsContact CG-CD 3.43Å; K324-E328 HydrophobicContact CG-CG 4.08Å; K324-E328 VanDerWaalsContact CG-OE1 3.25Å; K324-E328 WeakPolarHBondContact CG-OE1 2.98Å; K324-E328 VanDerWaalsContact O-CB 3.22Å; K324-E328 WeakPolarHBondContact O-CB 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.48Å; K324-E328 PolarHBondContact O-N 2.69Å; K324-D387 WeakPolarHBondContact CE-OD2 3.48Å; K324-D387 IonicContact NZ-OD2 2.89Å; K324-D387 PolarHBondContact NZ-OD2 3.3Å
325	G	56.5	Low	58.8	Low	33 Å²	33	81.4 Å²	81.4	34%	0.34	44%	0.437	S	S	.	.	H	α-helix	trans	-71	1.5	175.6	0	0	0	0	0	117.2	H323 E328	H323-G325 VanDerWaalsContact C-N 3.27Å; H323-G325 PolarHBondContact O-N 3Å; G325-E328 WeakPolarHBondContact CA-OE2 3.12Å; G325-E328 PolarHBondContact N-OE2 2.94Å
326	M	56.6	Low	57.5	Low	87 Å²	87	85 Å²	85	43%	0.429	46%	0.462	S	S	.	.	H	α-helix	trans	-110.7	-43.1	170.4	-64.2	179.3	70.6	0	0	110.1	F302 H323 K324 E328 R329 E330	F302-M326 HydrophobicContact CB-SD 4.47Å; F302-M326 HydrophobicContact CD1-CE 3.72Å; F302-M326 HydrophobicContact CD1-SD 4.22Å; F302-M326 HydrophobicContact CE1-CE 4.34Å; H323-M326 WeakPolarHBondContact O-CA 3.29Å; H323-M326 PolarHBondContact O-N 3.25Å; K324-M326 PolarHBondContact O-N 2.93Å; K324-M326 VanDerWaalsContact O-N 3.1Å; M326-E328 VanDerWaalsContact C-N 3.27Å; M326-E328 PolarHBondContact O-N 3.46Å; M326-R329 CarbonylContact O-C 3.43Å; M326-R329 WeakPolarHBondContact O-CA 3.26Å; M326-R329 WeakPolarHBondContact O-CB 3.44Å; M326-R329 PolarHBondContact O-N 2.9Å; M326-E330 PolarHBondContact O-N 3.29Å
327	M	54.9	Low	56	Low	87 Å²	87	88.9 Å²	88.9	43%	0.429	49%	0.485	S	S	.	.	H	α-helix	trans	-55.4	-41.4	168.4	-60.7	-80.4	-68.3	0	0	111.3	F302 I319 H323 K324 R329 E330 A331	F302-M327 HydrophobicContact CE2-SD 4.08Å; F302-M327 HydrophobicContact CZ-SD 4.24Å; I319-M327 HydrophobicContact CG2-CE 3.84Å; I319-M327 HydrophobicContact CG2-CG 3.8Å; I319-M327 HydrophobicContact CG2-SD 3.59Å; I319-M327 VanDerWaalsContact CG2-SD 3.59Å; H323-M327 WeakPolarHBondContact O-CG 3.48Å; H323-M327 PolarHBondContact O-N 3.37Å; K324-M327 PolarHBondContact O-N 2.81Å; M327-R329 PolarHBondContact O-N 3.05Å; M327-E330 PolarHBondContact O-N 3.41Å; M327-A331 WeakPolarHBondContact O-CB 3.39Å; M327-A331 PolarHBondContact O-N 2.85Å
328	E	53	Low	54.3	Low	72 Å²	72	95.2 Å²	95.2	34%	0.336	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-23	174.1	-74.9	162.7	156.5	0	0	112.4	K324 G325 M326 A332 R390	K324-E328 VanDerWaalsContact C-OE2 3.25Å; K324-E328 WeakPolarHBondContact CE-OE1 3.43Å; K324-E328 VanDerWaalsContact CG-CD 3.43Å; K324-E328 HydrophobicContact CG-CG 4.08Å; K324-E328 VanDerWaalsContact CG-OE1 3.25Å; K324-E328 WeakPolarHBondContact CG-OE1 2.98Å; K324-E328 VanDerWaalsContact O-CB 3.22Å; K324-E328 WeakPolarHBondContact O-CB 3.29Å; K324-E328 WeakPolarHBondContact O-CG 3.48Å; K324-E328 PolarHBondContact O-N 2.69Å; G325-E328 WeakPolarHBondContact CA-OE2 3.12Å; G325-E328 PolarHBondContact N-OE2 2.94Å; M326-E328 VanDerWaalsContact C-N 3.27Å; M326-E328 PolarHBondContact O-N 3.46Å; E328-A332 WeakPolarHBondContact O-CB 3.49Å; E328-A332 PolarHBondContact O-N 3.46Å; E328-R390 IonicContact OE1-NH1 2.62Å; E328-R390 PolarHBondContact OE1-NH1 2.91Å; E328-R390 IonicContact OE2-NH1 2.93Å; E328-R390 PolarHBondContact OE2-NH1 2.88Å; E328-R390 VanDerWaalsContact OE2-NH1 3.08Å
329	R	51.2	Low	52.7	Low	180 Å²	180	101.8 Å²	101.8	68%	0.679	54%	0.544	S	S	*	.	H	α-helix	trans	-93	-37.4	175.1	-63.5	-179.7	-174.7	165.9	1.5	112.7	M326 M327 A332 I333	M326-R329 CarbonylContact O-C 3.43Å; M326-R329 WeakPolarHBondContact O-CA 3.26Å; M326-R329 WeakPolarHBondContact O-CB 3.44Å; M326-R329 PolarHBondContact O-N 2.9Å; M327-R329 PolarHBondContact O-N 3.05Å; R329-A332 CarbonylContact O-C 3.57Å; R329-A332 PolarHBondContact O-N 3.06Å; R329-I333 WeakPolarHBondContact O-CD1 3.41Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.26Å; R329-I333 PolarHBondContact O-N 2.9Å; R329-I333 VanDerWaalsContact O-N 3.13Å
330	E	47	Very low	51.2	Low	90 Å²	90	109.3 Å²	109.3	42%	0.421	58%	0.579	S	S	.	*	H	α-helix	trans	-71	-34.5	175.8	-72.1	178.3	149.7	0	0	111.3	F302 M326 M327 I333 Q334	F302-E330 VanDerWaalsContact CE1-OE2 3.29Å; F302-E330 WeakPolarHBondContact CE1-OE2 3.38Å; F302-E330 WeakPolarHBondContact CZ-OE2 3.41Å; M326-E330 PolarHBondContact O-N 3.29Å; M327-E330 PolarHBondContact O-N 3.41Å; E330-I333 CarbonylContact O-C 3.58Å; E330-I333 WeakPolarHBondContact O-CA 3.46Å; E330-I333 WeakPolarHBondContact O-CB 3.47Å; E330-I333 PolarHBondContact O-N 2.91Å; E330-I333 VanDerWaalsContact O-N 3.1Å; E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 WeakPolarHBondContact O-CG 3.21Å; E330-Q334 PolarHBondContact O-N 2.92Å
331	A	49.5	Very low	49.7	Very low	57 Å²	57	111.7 Å²	111.7	47%	0.471	60%	0.597	S	S	.	*	H	α-helix	trans	-67.2	-37.8	168.2	0	0	0	0	0	112.2	M327 I333 Q334	M327-A331 WeakPolarHBondContact O-CB 3.39Å; M327-A331 PolarHBondContact O-N 2.85Å; A331-I333 PolarHBondContact O-N 3.41Å; A331-I333 VanDerWaalsContact O-N 3.16Å; A331-Q334 CarbonylContact O-C 3.49Å; A331-Q334 PolarHBondContact O-N 3.48Å; A331-Q334 VanDerWaalsContact O-N 3.13Å
332	A	50.1	Low	48.3	Very low	86 Å²	86	113.3 Å²	113.3	71%	0.711	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-7.4	170.3	0	0	0	0	0	113.9	E328 R329	E328-A332 WeakPolarHBondContact O-CB 3.49Å; E328-A332 PolarHBondContact O-N 3.46Å; R329-A332 CarbonylContact O-C 3.57Å; R329-A332 PolarHBondContact O-N 3.06Å
333	I	52.9	Low	46.7	Very low	141 Å²	141	115.1 Å²	115.1	72%	0.723	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-22.4	172.2	-69.2	163.8	0	0	0	111	R329 E330 A331	R329-I333 WeakPolarHBondContact O-CD1 3.41Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.26Å; R329-I333 PolarHBondContact O-N 2.9Å; R329-I333 VanDerWaalsContact O-N 3.13Å; E330-I333 CarbonylContact O-C 3.58Å; E330-I333 WeakPolarHBondContact O-CA 3.46Å; E330-I333 WeakPolarHBondContact O-CB 3.47Å; E330-I333 PolarHBondContact O-N 2.91Å; E330-I333 VanDerWaalsContact O-N 3.1Å; A331-I333 PolarHBondContact O-N 3.41Å; A331-I333 VanDerWaalsContact O-N 3.16Å
334	Q	48.4	Very low	44.8	Very low	141 Å²	141	118.8 Å²	118.8	66%	0.659	63%	0.631	S	S	*	*	S	Bend	trans	-109.4	77.2	175.3	-66.2	179.2	-6.5	0	0	109.1	E330 A331 V336	E330-Q334 WeakPolarHBondContact O-CB 3.48Å; E330-Q334 WeakPolarHBondContact O-CG 3.21Å; E330-Q334 PolarHBondContact O-N 2.92Å; A331-Q334 CarbonylContact O-C 3.49Å; A331-Q334 PolarHBondContact O-N 3.48Å; A331-Q334 VanDerWaalsContact O-N 3.13Å; Q334-V336 PolarHBondContact O-N 3.31Å
335	G	38.6	Very low	43.3	Very low	67 Å²	67	120.2 Å²	120.2	69%	0.691	64%	0.635	S	S	*	*			trans	-58.7	98.9	-175.2	0	0	0	0	0	113.2
336	V	43.1	Very low	42.4	Very low	113 Å²	113	124.2 Å²	124.2	69%	0.685	65%	0.645	S	S	*	*			trans	-116	82.8	171.3	-179.5	0	0	0	0	106.9	Q334 E338	Q334-V336 PolarHBondContact O-N 3.31Å; V336-E338 PolarHBondContact O-N 3.17Å
337	D	33.6	Very low	41.5	Very low	166 Å²	166	124.7 Å²	124.7	89%	0.888	65%	0.652	S	S	*	*			trans	-80.2	64.6	176.1	-69.2	-53.5	0	0	0	110.8
338	E	34.5	Very low	40.6	Very low	175 Å²	175	127 Å²	127	82%	0.818	67%	0.665	S	S	*	*			trans	-132.2	98.4	168.8	-88.8	179.8	175.5	0	0	109.5	V336	V336-E338 PolarHBondContact O-N 3.17Å
339	I	41	Very low	39.7	Very low	162 Å²	162	128.3 Å²	128.3	83%	0.831	68%	0.681	S	S	*	*			trans	-125.2	112.7	169.1	-61.3	178.2	0	0	0	106.6
340	E	36.5	Very low	38.9	Very low	184 Å²	184	123.3 Å²	123.3	86%	0.86	68%	0.678	S	S	*	*			trans	-66.8	139	172.5	-65.1	-179	119.3	0	0	110.4	E342	E340-E342 PolarHBondContact O-N 3.36Å
341	E	33	Very low	38.3	Very low	202 Å²	202	125.8 Å²	125.8	94%	0.944	69%	0.694	S	S	*	*			trans	-76	104	-178.7	-62.9	-176.3	135.9	0	0	111.2
342	E	36.7	Very low	37.6	Very low	180 Å²	180	127.3 Å²	127.3	84%	0.841	70%	0.701	S	S	*	*			trans	-112.9	152.6	170.1	-90.6	-119.7	129.6	0	0	111.6	E340	E340-E342 PolarHBondContact O-N 3.36Å
343	P	30.4	Very low	37	Very low	108 Å²	108	132.8 Å²	132.8	70%	0.701	71%	0.712	S	S	*	*			trans	-80.3	153.5	-131.2	25.3	-35.4	0	0	0	117.3	W345	P343-W345 PolarHBondContact O-N 3Å
344	D	30.8	Very low	36.4	Very low	89 Å²	89	131.2 Å²	131.2	48%	0.476	71%	0.71	S	S	.	*			trans	-56.7	121.8	-180	172.1	42.7	0	0	0	113.6	E346 T347	D344-E346 WeakPolarHBondContact OD1-CB 3.5Å; D344-E346 WeakPolarHBondContact OD1-CG 3.46Å; D344-E346 PolarHBondContact OD1-N 3.35Å; D344-T347 PolarHBondContact OD2-N 3.25Å; D344-T347 PolarHBondContact OD2-OG1 3.48Å
345	W	31.4	Very low	35.8	Very low	105 Å²	105	132.1 Å²	132.1	40%	0.398	72%	0.719	S	S	.	*	S	Bend	trans	-90.6	-11.8	177.5	63.5	-86.1	0	0	0	113.2	P343 T347 I348 R376 V388	P343-W345 PolarHBondContact O-N 3Å; W345-T347 PolarHBondContact O-N 3.03Å; W345-I348 PolarHBondContact O-N 3.37Å; W345-I348 VanDerWaalsContact O-N 3.15Å; W345-R376 VanDerWaalsContact CH2-NH1 3.34Å; W345-V388 HydrophobicContact CZ2-CG1 3.8Å
346	E	36.1	Very low	36.1	Very low	117 Å²	117	136.9 Å²	136.9	55%	0.547	72%	0.723	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-28.9	177.7	-58.5	-159.7	151	0	0	111	D344 I348 R376	D344-E346 WeakPolarHBondContact OD1-CB 3.5Å; D344-E346 WeakPolarHBondContact OD1-CG 3.46Å; D344-E346 PolarHBondContact OD1-N 3.35Å; E346-I348 VanDerWaalsContact C-N 3.32Å; E346-I348 PolarHBondContact O-N 2.95Å; E346-R376 IonicContact OE1-NH1 3.11Å
347	T	39.2	Very low	36.6	Very low	96 Å²	96	140.5 Å²	140.5	59%	0.589	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-21.6	173.6	-59.8	0	0	0	0	114.6	D344 W345	D344-T347 PolarHBondContact OD2-N 3.25Å; D344-T347 PolarHBondContact OD2-OG1 3.48Å; W345-T347 PolarHBondContact O-N 3.03Å
348	I	36.1	Very low	37.6	Very low	136 Å²	136	135.6 Å²	135.6	70%	0.697	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-27	-172.4	-63.9	178.5	0	0	0	113	W345 E346	W345-I348 PolarHBondContact O-N 3.37Å; W345-I348 VanDerWaalsContact O-N 3.15Å; E346-I348 VanDerWaalsContact C-N 3.32Å; E346-I348 PolarHBondContact O-N 2.95Å
349	C	33.8	Very low	39.3	Very low	99 Å²	99	131.2 Å²	131.2	67%	0.669	69%	0.692	S	S	*	*	S	Bend	trans	-92.6	1	-175.4	-66	0	0	0	0	114.9
350	A	34.2	Very low	40.9	Very low	75 Å²	75	124.9 Å²	124.9	62%	0.62	66%	0.658	S	S	*	*	S	Bend	trans	-84	-13.4	-174.8	0	0	0	0	0	115.2
351	N	33.9	Very low	43.1	Very low	142 Å²	142	118.9 Å²	118.9	76%	0.759	63%	0.629	S	S	*	*			trans	-112.6	52.2	-162.8	-67.3	-36	0	0	0	114.4
352	S	34.7	Very low	45.6	Very low	89 Å²	89	109.2 Å²	109.2	62%	0.622	58%	0.584	S	S	*	*			trans	-147.2	96.4	169.6	62.9	0	0	0	0	112.9	T354	S352-T354 PolarHBondContact O-N 3.22Å
353	E	37.9	Very low	47.6	Very low	202 Å²	202	103.3 Å²	103.3	94%	0.944	56%	0.563	S	S	*	*			trans	-75.3	45.5	-176.5	-57.1	178	121.2	0	0	113.8
354	T	41.2	Very low	50	Low	108 Å²	108	100.9 Å²	100.9	66%	0.663	54%	0.543	S	S	*	.			trans	-128.6	72.4	-176.6	57.8	0	0	0	0	112.2	S352 H356	S352-T354 PolarHBondContact O-N 3.22Å; T354-H356 PolarHBondContact O-N 2.93Å; T354-H356 VanDerWaalsContact O-N 3.09Å
355	D	34.4	Very low	52.5	Low	160 Å²	160	99.1 Å²	99.1	86%	0.856	54%	0.537	S	S	*	.			trans	-65.1	98.9	177.3	-81.4	-47.7	0	0	0	113
356	H	45.1	Very low	54.8	Low	166 Å²	166	99.2 Å²	99.2	77%	0.769	54%	0.538	S	S	*	.			trans	-130.4	84.6	170.7	-76.6	-8	0	0	0	111.7	T354 C358	T354-H356 PolarHBondContact O-N 2.93Å; T354-H356 VanDerWaalsContact O-N 3.09Å; H356-C358 VanDerWaalsContact C-N 3.35Å; H356-C358 PolarHBondContact O-N 3.11Å; H356-C358 PolarHBondContact O-SG 2.84Å
357	E	53.3	Low	57	Low	189 Å²	189	98.7 Å²	98.7	88%	0.883	53%	0.534	S	S	*	.			trans	29.7	51.7	154	-59	-168.7	155.9	0	0	118	I359	E357-I359 PolarHBondContact O-N 3.42Å
358	C	55.8	Low	59.1	Low	64 Å²	64	98.4 Å²	98.4	43%	0.432	53%	0.528	S	S	.	.			trans	-77.3	103.3	172.2	-74.4	0	0	0	0	110.6	H356 H360	H356-C358 VanDerWaalsContact C-N 3.35Å; H356-C358 PolarHBondContact O-N 3.11Å; H356-C358 PolarHBondContact O-SG 2.84Å; C358-H360 PolarHBondContact O-CD2 3.43Å; C358-H360 PolarHBondContact O-N 2.96Å
359	I	69.6	Low	61.3	Low	83 Å²	83	93.6 Å²	93.6	43%	0.426	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.3	171.5	-61.9	177.8	0	0	0	109	E357 D368 T398	E357-I359 PolarHBondContact O-N 3.42Å; I359-D368 HydrophobicContact CG2-CB 3.75Å; I359-T398 PolarHBondContact O-N 3.46Å; I359-T398 PolarHBondContact O-OG1 3.48Å
360	H	75.2	Confident	63.2	Low	28 Å²	28	93.3 Å²	93.3	13%	0.13	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.2	178.3	-71.2	-92.3	0	0	0	110.5	C358 F369 A372 S375 I395	C358-H360 PolarHBondContact O-CD2 3.43Å; C358-H360 PolarHBondContact O-N 2.96Å; H360-F369 HydrophobicContact CB-CB 4.42Å; H360-F369 PolarHBondContact N-O 3.06Å; H360-F369 WeakPolarHBondContact O-CD2 3.41Å; H360-F369 PolarHBondContact O-N 2.85Å; H360-A372 PolarHBondContact CD2-N 2.89Å; H360-A372 PolarHBondContact NE2-N 3.09Å; H360-S375 WeakPolarHBondContact CB-OG 3.31Å; H360-I395 HydrophobicContact CB-CG2 3.87Å
361	K	81.4	Confident	65.3	Low	58 Å²	58	91.7 Å²	91.7	25%	0.252	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121	-175.5	-167.1	164.5	-159.5	63.5	0	111.9	S363 R366 D368 K396	K361-S363 PolarHBondContact O-N 3.37Å; K361-R366 PolarHBondContact NZ-O 3.3Å; K361-D368 WeakPolarHBondContact CB-OD1 3.48Å; K361-D368 VanDerWaalsContact CD-OD1 3.31Å; K361-D368 WeakPolarHBondContact CD-OD1 3.15Å; K361-D368 VanDerWaalsContact CG-OD1 3.23Å; K361-D368 WeakPolarHBondContact CG-OD1 3.27Å; K361-D368 IonicContact NZ-OD1 2.8Å; K361-D368 PolarHBondContact NZ-OD1 2.92Å; K361-D368 IonicContact NZ-OD2 3.2Å; K361-D368 PolarHBondContact NZ-OD2 3.44Å; K361-K396 PolarHBondContact N-O 3.46Å; K361-K396 PolarHBondContact O-N 3Å
362	C	85.5	Confident	67.2	Low	0 Å²	0	86.8 Å²	86.8	0%	0	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	122.4	173.1	171.7	0	0	0	0	110.1	I364 R366 K367 F369 H378 V379	C362-I364 VanDerWaalsContact C-N 3.27Å; C362-I364 PolarHBondContact O-N 3.43Å; C362-I364 PolarHBondContact SG-N 3.03Å; C362-R366 WeakPolarHBondContact O-CA 3.25Å; C362-R366 PolarHBondContact O-N 2.9Å; C362-K367 PolarHBondContact N-O 3.3Å; C362-F369 HydrophobicContact CB-CE2 3.96Å; C362-H378 PolarHBondContact SG-NE2 3.25Å; C362-V379 HydrophobicContact CB-CG2 4.45Å
363	S	79.4	Confident	69.2	Low	56 Å²	56	87.9 Å²	87.9	39%	0.392	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.1	-178.8	62.1	0	0	0	0	114.4	K361 L394	K361-S363 PolarHBondContact O-N 3.37Å; S363-L394 WeakPolarHBondContact CB-O 3.41Å; S363-L394 PolarHBondContact N-O 2.88Å; S363-L394 WeakPolarHBondContact OG-CA 3.24Å; S363-L394 WeakPolarHBondContact OG-CD2 3.25Å; S363-L394 PolarHBondContact OG-O 3.37Å
364	I	80.4	Confident	71.3	Confident	56 Å²	56	82.4 Å²	82.4	29%	0.287	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-53	-178.7	-52.1	170.3	0	0	0	111.4	C362 H383 I385 L394 N523	C362-I364 VanDerWaalsContact C-N 3.27Å; C362-I364 PolarHBondContact O-N 3.43Å; C362-I364 PolarHBondContact SG-N 3.03Å; I364-H383 HydrophobicContact CD1-CB 3.85Å; I364-H383 VanDerWaalsContact CG2-ND1 3.3Å; I364-H383 WeakPolarHBondContact CG2-ND1 3.47Å; I364-I385 HydrophobicContact CD1-CD1 3.78Å; I364-L394 HydrophobicContact CD1-CD1 4.18Å; I364-L394 HydrophobicContact CG1-CD2 4.4Å; I364-N523 WeakPolarHBondContact CG2-ND2 3.31Å
365	C	83.7	Confident	73.3	Confident	52 Å²	52	77.2 Å²	77.2	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-11.3	-176.5	75.1	0	0	0	0	114.9	K367 H378	C365-K367 PolarHBondContact O-N 2.94Å; C365-K367 VanDerWaalsContact SG-CB 3.53Å; C365-K367 WeakPolarHBondContact SG-CG 3.31Å; C365-K367 PolarHBondContact SG-N 3.47Å; C365-H378 PolarHBondContact SG-CE1 2.69Å; C365-H378 PolarHBondContact SG-NE2 3.09Å
366	R	80.4	Confident	75.6	Confident	108 Å²	108	72.1 Å²	72.1	41%	0.408	38%	0.383	S	S	.	.			trans	62	11.7	-173.3	-60.5	176.3	168.9	176.5	-1	116.8	K361 C362 D368 E532	K361-R366 PolarHBondContact NZ-O 3.3Å; C362-R366 WeakPolarHBondContact O-CA 3.25Å; C362-R366 PolarHBondContact O-N 2.9Å; R366-D368 PolarHBondContact O-N 3.09Å; R366-E532 IonicContact CZ-OE2 3.44Å; R366-E532 IonicContact NH1-OE1 2.73Å; R366-E532 PolarHBondContact NH1-OE1 2.88Å; R366-E532 IonicContact NH1-OE2 3.74Å; R366-E532 PolarHBondContact NH1-OE2 3.23Å; R366-E532 IonicContact NH2-OE2 3.77Å; R366-E532 PolarHBondContact NH2-OE2 2.91Å
367	K	81.3	Confident	77.5	Confident	105 Å²	105	68.6 Å²	68.6	46%	0.457	37%	0.367	S	S	.	.			trans	-53.2	139.4	161.5	-72.4	176.5	-174.7	179.7	0	109	C362 C365 F369 D382	C362-K367 PolarHBondContact N-O 3.3Å; C365-K367 PolarHBondContact O-N 2.94Å; C365-K367 VanDerWaalsContact SG-CB 3.53Å; C365-K367 WeakPolarHBondContact SG-CG 3.31Å; C365-K367 PolarHBondContact SG-N 3.47Å; K367-F369 HydrophobicContact CB-CD2 4.41Å; K367-F369 HydrophobicContact CB-CE1 4.45Å; K367-F369 HydrophobicContact CB-CE2 3.44Å; K367-F369 VanDerWaalsContact CB-CE2 3.44Å; K367-F369 HydrophobicContact CB-CZ 3.45Å; K367-F369 VanDerWaalsContact CB-CZ 3.45Å; K367-F369 HydrophobicContact CD-CZ 3.81Å; K367-F369 HydrophobicContact CG-CZ 4.28Å; K367-F369 WeakPolarHBondContact O-CE2 3.46Å; K367-D382 IonicContact NZ-OD2 3.79Å; K367-D382 PolarHBondContact NZ-OD2 3.3Å
368	D	83.5	Confident	79.2	Confident	90 Å²	90	60.1 Å²	60.1	48%	0.481	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.8	176.1	-69.5	-52.5	0	0	0	108.9	I359 K361 R366	I359-D368 HydrophobicContact CG2-CB 3.75Å; K361-D368 WeakPolarHBondContact CB-OD1 3.48Å; K361-D368 VanDerWaalsContact CD-OD1 3.31Å; K361-D368 WeakPolarHBondContact CD-OD1 3.15Å; K361-D368 VanDerWaalsContact CG-OD1 3.23Å; K361-D368 WeakPolarHBondContact CG-OD1 3.27Å; K361-D368 IonicContact NZ-OD1 2.8Å; K361-D368 PolarHBondContact NZ-OD1 2.92Å; K361-D368 IonicContact NZ-OD2 3.2Å; K361-D368 PolarHBondContact NZ-OD2 3.44Å; R366-D368 PolarHBondContact O-N 3.09Å
369	F	82.4	Confident	80.6	Confident	36 Å²	36	57.1 Å²	57.1	16%	0.158	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.5	-175.3	-60.7	-86.4	0	0	0	110.8	H360 C362 K367 S371 L374 H378	H360-F369 HydrophobicContact CB-CB 4.42Å; H360-F369 PolarHBondContact N-O 3.06Å; H360-F369 WeakPolarHBondContact O-CD2 3.41Å; H360-F369 PolarHBondContact O-N 2.85Å; C362-F369 HydrophobicContact CB-CE2 3.96Å; K367-F369 HydrophobicContact CB-CD2 4.41Å; K367-F369 HydrophobicContact CB-CE1 4.45Å; K367-F369 HydrophobicContact CB-CE2 3.44Å; K367-F369 VanDerWaalsContact CB-CE2 3.44Å; K367-F369 HydrophobicContact CB-CZ 3.45Å; K367-F369 VanDerWaalsContact CB-CZ 3.45Å; K367-F369 HydrophobicContact CD-CZ 3.81Å; K367-F369 HydrophobicContact CG-CZ 4.28Å; K367-F369 WeakPolarHBondContact O-CE2 3.46Å; F369-S371 VanDerWaalsContact C-N 3.26Å; F369-S371 PolarHBondContact O-N 3.44Å; F369-L374 HydrophobicContact CB-CB 4.18Å; F369-L374 HydrophobicContact CD1-CB 4.01Å; F369-L374 HydrophobicContact CG-CB 4.46Å; F369-H378 HydrophobicContact CE1-CB 3.75Å; F369-H378 AromaticContact CE1-CG 3.93Å; F369-H378 HydrophobicContact CE2-CB 4.13Å; F369-H378 AromaticContact CE2-CD2 3.41Å; F369-H378 VanDerWaalsContact CE2-CD2 3.41Å; F369-H378 WeakPolarHBondContact CE2-CD2 3.3Å; F369-H378 AromaticContact CE2-CG 3.73Å; F369-H378 HydrophobicContact CZ-CB 3.48Å; F369-H378 VanDerWaalsContact CZ-CB 3.48Å; F369-H378 AromaticContact CZ-CD2 3.34Å; F369-H378 WeakPolarHBondContact CZ-CD2 3.39Å; F369-H378 AromaticContact CZ-CG 3.16Å; F369-H378 AromaticContact CZ-ND1 3.68Å; F369-H378 AromaticContact CZ-NE2 3.95Å
370	A	74.2	Confident	81.3	Confident	92 Å²	92	55.8 Å²	55.8	76%	0.76	30%	0.299	S	S	*	.	S	Bend	trans	-74.8	-11.2	-179.2	0	0	0	0	0	114.2
371	S	77.2	Confident	81.7	Confident	41 Å²	41	60.6 Å²	60.6	29%	0.287	32%	0.321	S	S	.	.	S	Bend	trans	-150.2	157.2	178.1	73.2	0	0	0	0	112.4	F369 L373 L374 S375	F369-S371 VanDerWaalsContact C-N 3.26Å; F369-S371 PolarHBondContact O-N 3.44Å; S371-L373 VanDerWaalsContact C-N 3.27Å; S371-L373 PolarHBondContact O-N 3.38Å; S371-L374 PolarHBondContact O-N 2.95Å; S371-L374 WeakPolarHBondContact OG-CG 3.48Å; S371-L374 PolarHBondContact OG-N 3.44Å; S371-S375 PolarHBondContact O-N 3.11Å; S371-S375 PolarHBondContact O-OG 3.34Å
372	A	74	Confident	81.8	Confident	40 Å²	40	62.3 Å²	62.3	33%	0.331	33%	0.333	S	S	.	.	H	α-helix	trans	-55.8	-43.4	173.8	0	0	0	0	0	111.5	H360 S375 R376	H360-A372 PolarHBondContact CD2-N 2.89Å; H360-A372 PolarHBondContact NE2-N 3.09Å; A372-S375 WeakPolarHBondContact CA-OG 3.49Å; A372-S375 CarbonylContact O-C 3.3Å; A372-S375 PolarHBondContact O-N 3.37Å; A372-S375 PolarHBondContact O-OG 3.33Å; A372-R376 PolarHBondContact O-N 3.43Å
373	L	77.4	Confident	81.8	Confident	112 Å²	112	64.5 Å²	64.5	59%	0.586	34%	0.343	S	S	*	.	H	α-helix	trans	-59.9	-48.7	-179.3	-66.3	174.4	0	0	0	112.6	S371 S375 R376 Q377	S371-L373 VanDerWaalsContact C-N 3.27Å; S371-L373 PolarHBondContact O-N 3.38Å; L373-S375 VanDerWaalsContact C-N 3.28Å; L373-S375 PolarHBondContact O-N 3.28Å; L373-R376 WeakPolarHBondContact O-CB 3.39Å; L373-R376 PolarHBondContact O-N 3.41Å; L373-R376 VanDerWaalsContact O-N 3.09Å; L373-Q377 PolarHBondContact O-N 2.91Å
374	L	82.9	Confident	81.8	Confident	86 Å²	86	64.9 Å²	64.9	45%	0.45	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-38.5	177.3	-72	170.8	0	0	0	111.6	F369 S371 H378	F369-L374 HydrophobicContact CB-CB 4.18Å; F369-L374 HydrophobicContact CD1-CB 4.01Å; F369-L374 HydrophobicContact CG-CB 4.46Å; S371-L374 PolarHBondContact O-N 2.95Å; S371-L374 WeakPolarHBondContact OG-CG 3.48Å; S371-L374 PolarHBondContact OG-N 3.44Å; L374-H378 VanDerWaalsContact O-CB 3.28Å; L374-H378 WeakPolarHBondContact O-CB 3.41Å; L374-H378 PolarHBondContact O-N 3.21Å
375	S	82.9	Confident	81.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-71.3	-31.4	174.5	65.6	0	0	0	0	113.6	H360 S371 A372 L373 V379 I395	H360-S375 WeakPolarHBondContact CB-OG 3.31Å; S371-S375 PolarHBondContact O-N 3.11Å; S371-S375 PolarHBondContact O-OG 3.34Å; A372-S375 WeakPolarHBondContact CA-OG 3.49Å; A372-S375 CarbonylContact O-C 3.3Å; A372-S375 PolarHBondContact O-N 3.37Å; A372-S375 PolarHBondContact O-OG 3.33Å; L373-S375 VanDerWaalsContact C-N 3.28Å; L373-S375 PolarHBondContact O-N 3.28Å; S375-V379 VanDerWaalsContact O-CG2 3.3Å; S375-V379 WeakPolarHBondContact O-CG2 3.39Å; S375-V379 PolarHBondContact O-N 2.86Å; S375-I395 VanDerWaalsContact C-CD1 3.47Å; S375-I395 WeakPolarHBondContact OG-CD1 3.44Å; S375-I395 VanDerWaalsContact OG-CG2 3.3Å; S375-I395 WeakPolarHBondContact OG-CG2 3.47Å
376	R	83.3	Confident	81.5	Confident	53 Å²	53	65.6 Å²	65.6	20%	0.2	36%	0.364	C	S	.	.	H	α-helix	trans	-64.9	-54.9	174	-168.9	-167.2	82.3	-174	-3.6	109.9	W345 E346 A372 L373 H378 V379 Q380 I395	W345-R376 VanDerWaalsContact CH2-NH1 3.34Å; E346-R376 IonicContact OE1-NH1 3.11Å; A372-R376 PolarHBondContact O-N 3.43Å; L373-R376 WeakPolarHBondContact O-CB 3.39Å; L373-R376 PolarHBondContact O-N 3.41Å; L373-R376 VanDerWaalsContact O-N 3.09Å; R376-H378 VanDerWaalsContact C-N 3.31Å; R376-H378 PolarHBondContact O-N 3.42Å; R376-V379 PolarHBondContact O-N 3.02Å; R376-Q380 VanDerWaalsContact NE-OE1 3.1Å; R376-Q380 WeakPolarHBondContact O-CG 3.39Å; R376-Q380 PolarHBondContact O-N 2.87Å; R376-I395 HydrophobicContact CB-CD1 4.32Å
377	Q	84.7	Confident	81.6	Confident	92 Å²	92	62.1 Å²	62.1	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-54.7	-48.1	178	-176.6	174.3	8.3	0	0	110.8	L373 V379 Q380 E381	L373-Q377 PolarHBondContact O-N 2.91Å; Q377-V379 VanDerWaalsContact C-N 3.35Å; Q377-V379 PolarHBondContact O-N 3.21Å; Q377-Q380 PolarHBondContact O-N 2.79Å; Q377-Q380 VanDerWaalsContact O-N 3.14Å; Q377-E381 HydrophobicContact CG-CG 4.23Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.23Å; Q377-E381 PolarHBondContact NE2-OE1 3.14Å; Q377-E381 WeakPolarHBondContact O-CB 3.49Å; Q377-E381 WeakPolarHBondContact O-CG 3.48Å; Q377-E381 PolarHBondContact O-N 3.32Å
378	H	87.8	Confident	81.4	Confident	11 Å²	11	59.2 Å²	59.2	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-41	173.7	164.4	68.5	0	0	0	114	C362 C365 F369 L374 R376 Q380 D382 H383	C362-H378 PolarHBondContact SG-NE2 3.25Å; C365-H378 PolarHBondContact SG-CE1 2.69Å; C365-H378 PolarHBondContact SG-NE2 3.09Å; F369-H378 HydrophobicContact CE1-CB 3.75Å; F369-H378 AromaticContact CE1-CG 3.93Å; F369-H378 HydrophobicContact CE2-CB 4.13Å; F369-H378 AromaticContact CE2-CD2 3.41Å; F369-H378 VanDerWaalsContact CE2-CD2 3.41Å; F369-H378 WeakPolarHBondContact CE2-CD2 3.3Å; F369-H378 AromaticContact CE2-CG 3.73Å; F369-H378 HydrophobicContact CZ-CB 3.48Å; F369-H378 VanDerWaalsContact CZ-CB 3.48Å; F369-H378 AromaticContact CZ-CD2 3.34Å; F369-H378 WeakPolarHBondContact CZ-CD2 3.39Å; F369-H378 AromaticContact CZ-CG 3.16Å; F369-H378 AromaticContact CZ-ND1 3.68Å; F369-H378 AromaticContact CZ-NE2 3.95Å; L374-H378 VanDerWaalsContact O-CB 3.28Å; L374-H378 WeakPolarHBondContact O-CB 3.41Å; L374-H378 PolarHBondContact O-N 3.21Å; R376-H378 VanDerWaalsContact C-N 3.31Å; R376-H378 PolarHBondContact O-N 3.42Å; H378-Q380 VanDerWaalsContact C-N 3.35Å; H378-D382 IonicContact CE1-OD2 2.68Å; H378-D382 PolarHBondContact CE1-OD2 3.33Å; H378-D382 IonicContact ND1-OD2 2.67Å; H378-D382 PolarHBondContact ND1-OD2 2.86Å; H378-D382 WeakPolarHBondContact O-CB 3.31Å; H378-D382 PolarHBondContact O-N 3.15Å; H378-H383 AromaticContact CE1-CD2 3.69Å; H378-H383 AromaticContact CE1-NE2 3.16Å; H378-H383 PolarHBondContact CE1-NE2 3.02Å; H378-H383 AromaticContact NE2-CD2 3.52Å; H378-H383 AromaticContact NE2-NE2 3.03Å; H378-H383 PolarHBondContact NE2-NE2 3.3Å
379	V	84.9	Confident	80.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-74.2	-27.1	178.7	175	0	0	0	0	112.2	C362 S375 R376 Q377 H383 I385 A391 L394 I395	C362-V379 HydrophobicContact CB-CG2 4.45Å; S375-V379 VanDerWaalsContact O-CG2 3.3Å; S375-V379 WeakPolarHBondContact O-CG2 3.39Å; S375-V379 PolarHBondContact O-N 2.86Å; R376-V379 PolarHBondContact O-N 3.02Å; Q377-V379 VanDerWaalsContact C-N 3.35Å; Q377-V379 PolarHBondContact O-N 3.21Å; V379-H383 WeakPolarHBondContact O-CB 3.33Å; V379-I385 HydrophobicContact CG1-CB 4.14Å; V379-I385 HydrophobicContact CG1-CD1 4.05Å; V379-I385 HydrophobicContact CG1-CG1 4.45Å; V379-I385 PolarHBondContact O-N 3.18Å; V379-A391 HydrophobicContact CB-CB 4.15Å; V379-A391 HydrophobicContact CG1-CB 3.71Å; V379-L394 HydrophobicContact CG1-CB 4.41Å; V379-L394 HydrophobicContact CG1-CD1 4.19Å; V379-I395 HydrophobicContact CG2-CD1 4.48Å; V379-I395 HydrophobicContact CG2-CG1 4.18Å
380	Q	84.1	Confident	80.6	Confident	56 Å²	56	65 Å²	65	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-73.5	-48.1	172.3	-65.6	178.4	-72.2	0	0	111.1	R376 Q377 H378 G384 I385 S386 A391	R376-Q380 VanDerWaalsContact NE-OE1 3.1Å; R376-Q380 WeakPolarHBondContact O-CG 3.39Å; R376-Q380 PolarHBondContact O-N 2.87Å; Q377-Q380 PolarHBondContact O-N 2.79Å; Q377-Q380 VanDerWaalsContact O-N 3.14Å; H378-Q380 VanDerWaalsContact C-N 3.35Å; Q380-G384 WeakPolarHBondContact O-CA 3.23Å; Q380-G384 PolarHBondContact O-N 3.23Å; Q380-I385 WeakPolarHBondContact CG-O 3.45Å; Q380-I385 PolarHBondContact O-N 2.96Å; Q380-S386 PolarHBondContact NE2-O 3.35Å; Q380-A391 HydrophobicContact CG-CB 4.41Å
381	E	84.6	Confident	80.9	Confident	128 Å²	128	60.6 Å²	60.6	60%	0.598	33%	0.33	S	S	*	.	H	α-helix	trans	-81.8	-61.1	-174.1	-66.2	172.4	179.2	0	0	113.9	Q377 H383	Q377-E381 HydrophobicContact CG-CG 4.23Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.23Å; Q377-E381 PolarHBondContact NE2-OE1 3.14Å; Q377-E381 WeakPolarHBondContact O-CB 3.49Å; Q377-E381 WeakPolarHBondContact O-CG 3.48Å; Q377-E381 PolarHBondContact O-N 3.32Å; E381-H383 VanDerWaalsContact C-N 3.25Å; E381-H383 PolarHBondContact O-N 3.23Å
382	D	83.4	Confident	80.8	Confident	94 Å²	94	62 Å²	62	50%	0.503	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.6	-175.3	-82	-9.8	0	0	0	113	K367 H378	K367-D382 IonicContact NZ-OD2 3.79Å; K367-D382 PolarHBondContact NZ-OD2 3.3Å; H378-D382 IonicContact CE1-OD2 2.68Å; H378-D382 PolarHBondContact CE1-OD2 3.33Å; H378-D382 IonicContact ND1-OD2 2.67Å; H378-D382 PolarHBondContact ND1-OD2 2.86Å; H378-D382 WeakPolarHBondContact O-CB 3.31Å; H378-D382 PolarHBondContact O-N 3.15Å
383	H	84.8	Confident	80.9	Confident	46 Å²	46	64.1 Å²	64.1	21%	0.213	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-3.2	-174.4	-57.8	-83	0	0	0	114.7	I364 H378 V379 E381 I385	I364-H383 HydrophobicContact CD1-CB 3.85Å; I364-H383 VanDerWaalsContact CG2-ND1 3.3Å; I364-H383 WeakPolarHBondContact CG2-ND1 3.47Å; H378-H383 AromaticContact CE1-CD2 3.69Å; H378-H383 AromaticContact CE1-NE2 3.16Å; H378-H383 PolarHBondContact CE1-NE2 3.02Å; H378-H383 AromaticContact NE2-CD2 3.52Å; H378-H383 AromaticContact NE2-NE2 3.03Å; H378-H383 PolarHBondContact NE2-NE2 3.3Å; V379-H383 WeakPolarHBondContact O-CB 3.33Å; E381-H383 VanDerWaalsContact C-N 3.25Å; E381-H383 PolarHBondContact O-N 3.23Å; H383-I385 HydrophobicContact CB-CD1 4.31Å; H383-I385 HydrophobicContact CB-CG1 4.22Å; H383-I385 PolarHBondContact O-N 3.46Å
384	G	80.8	Confident	80.9	Confident	65 Å²	65	60.7 Å²	60.7	67%	0.67	33%	0.328	S	S	*	.			trans	64.7	34.5	175.4	0	0	0	0	0	114.6	Q380	Q380-G384 WeakPolarHBondContact O-CA 3.23Å; Q380-G384 PolarHBondContact O-N 3.23Å
385	I	81.1	Confident	80.7	Confident	25 Å²	25	57.2 Å²	57.2	13%	0.128	31%	0.31	C	S	.	.			trans	-105.6	91.7	-178.1	-55.3	-174.9	0	0	0	109.3	I364 V379 Q380 H383 R390 L394	I364-I385 HydrophobicContact CD1-CD1 3.78Å; V379-I385 HydrophobicContact CG1-CB 4.14Å; V379-I385 HydrophobicContact CG1-CD1 4.05Å; V379-I385 HydrophobicContact CG1-CG1 4.45Å; V379-I385 PolarHBondContact O-N 3.18Å; Q380-I385 WeakPolarHBondContact CG-O 3.45Å; Q380-I385 PolarHBondContact O-N 2.96Å; H383-I385 HydrophobicContact CB-CD1 4.31Å; H383-I385 HydrophobicContact CB-CG1 4.22Å; H383-I385 PolarHBondContact O-N 3.46Å; I385-R390 HydrophobicContact CG2-CB 4.17Å; I385-R390 HydrophobicContact CG2-CG 3.88Å; I385-L394 HydrophobicContact CD1-CD1 3.33Å
386	S	76.9	Confident	80.1	Confident	97 Å²	97	63.7 Å²	63.7	68%	0.678	34%	0.338	S	S	*	.			trans	-60.8	-43.7	-180	48.5	0	0	0	0	113.4	Q380 V388	Q380-S386 PolarHBondContact NE2-O 3.35Å; S386-V388 PolarHBondContact O-N 2.93Å; S386-V388 VanDerWaalsContact O-N 3.13Å
387	D	81.4	Confident	79.2	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.193	36%	0.356	C	S	.	.			trans	-56.9	109.7	179.2	174.1	-12.8	0	0	0	112.1	K324 Q389 R390 A391	K324-D387 WeakPolarHBondContact CE-OD2 3.48Å; K324-D387 IonicContact NZ-OD2 2.89Å; K324-D387 PolarHBondContact NZ-OD2 3.3Å; D387-Q389 PolarHBondContact O-N 2.96Å; D387-Q389 PolarHBondContact OD1-N 2.62Å; D387-R390 HydrophobicContact CB-CB 3.77Å; D387-R390 PolarHBondContact O-N 3.11Å; D387-R390 WeakPolarHBondContact OD1-CB 3.34Å; D387-R390 PolarHBondContact OD1-N 2.75Å; D387-R390 VanDerWaalsContact OD2-CB 3.23Å; D387-R390 WeakPolarHBondContact OD2-CB 3.3Å; D387-A391 WeakPolarHBondContact O-CB 3.45Å; D387-A391 PolarHBondContact O-N 3.37Å
388	V	77.2	Confident	78	Confident	44 Å²	44	63.7 Å²	63.7	27%	0.267	35%	0.352	S	S	.	.	H	α-helix	trans	-60.2	-43.1	-178.8	170.7	0	0	0	0	112.3	W345 S386 A391 L392	W345-V388 HydrophobicContact CZ2-CG1 3.8Å; S386-V388 PolarHBondContact O-N 2.93Å; S386-V388 VanDerWaalsContact O-N 3.13Å; V388-A391 PolarHBondContact O-N 3.27Å; V388-L392 HydrophobicContact CG1-CD1 4.03Å; V388-L392 WeakPolarHBondContact O-CB 3.5Å; V388-L392 VanDerWaalsContact O-CG 3.31Å; V388-L392 WeakPolarHBondContact O-CG 3.16Å; V388-L392 PolarHBondContact O-N 3.17Å
389	Q	73.9	Confident	76.3	Confident	161 Å²	161	70.6 Å²	70.6	75%	0.752	38%	0.384	S	S	*	.	H	α-helix	trans	-71.4	-36	-176.7	-162.6	178.6	25.6	0	0	110.9	D387 S393	D387-Q389 PolarHBondContact O-N 2.96Å; D387-Q389 PolarHBondContact OD1-N 2.62Å; Q389-S393 WeakPolarHBondContact O-CB 3.37Å; Q389-S393 PolarHBondContact O-N 3.25Å
390	R	75.1	Confident	74.3	Confident	86 Å²	86	74.8 Å²	74.8	33%	0.325	42%	0.419	S	S	.	.	H	α-helix	trans	-67.7	-42.1	171.1	-174.2	177.1	-175.2	-177.3	0.5	111.4	E328 I385 D387 S393 L394	E328-R390 IonicContact OE1-NH1 2.62Å; E328-R390 PolarHBondContact OE1-NH1 2.91Å; E328-R390 IonicContact OE2-NH1 2.93Å; E328-R390 PolarHBondContact OE2-NH1 2.88Å; E328-R390 VanDerWaalsContact OE2-NH1 3.08Å; I385-R390 HydrophobicContact CG2-CB 4.17Å; I385-R390 HydrophobicContact CG2-CG 3.88Å; D387-R390 HydrophobicContact CB-CB 3.77Å; D387-R390 PolarHBondContact O-N 3.11Å; D387-R390 WeakPolarHBondContact OD1-CB 3.34Å; D387-R390 PolarHBondContact OD1-N 2.75Å; D387-R390 VanDerWaalsContact OD2-CB 3.23Å; D387-R390 WeakPolarHBondContact OD2-CB 3.3Å; R390-S393 PolarHBondContact O-N 3.18Å; R390-S393 PolarHBondContact O-OG 3.45Å; R390-L394 HydrophobicContact CG-CD1 4.32Å; R390-L394 WeakPolarHBondContact O-CD1 3.36Å; R390-L394 VanDerWaalsContact O-CG 3.32Å; R390-L394 WeakPolarHBondContact O-CG 3.44Å; R390-L394 PolarHBondContact O-N 3.4Å
391	A	80.3	Confident	72.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-59.5	-47.3	174.8	0	0	0	0	0	111.2	V379 Q380 D387 V388 S393 L394 I395	V379-A391 HydrophobicContact CB-CB 4.15Å; V379-A391 HydrophobicContact CG1-CB 3.71Å; Q380-A391 HydrophobicContact CG-CB 4.41Å; D387-A391 WeakPolarHBondContact O-CB 3.45Å; D387-A391 PolarHBondContact O-N 3.37Å; V388-A391 PolarHBondContact O-N 3.27Å; A391-S393 PolarHBondContact O-N 3.39Å; A391-L394 WeakPolarHBondContact O-CB 3.44Å; A391-L394 PolarHBondContact O-N 3.49Å; A391-L394 VanDerWaalsContact O-N 3.15Å; A391-I395 WeakPolarHBondContact O-CD1 3.32Å; A391-I395 WeakPolarHBondContact O-CG1 3.48Å; A391-I395 PolarHBondContact O-N 3.38Å
392	L	74.5	Confident	70.5	Confident	69 Å²	69	73.6 Å²	73.6	36%	0.361	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-40.6	173.6	-69.6	170.7	0	0	0	112.5	V388 L394 I395	V388-L392 HydrophobicContact CG1-CD1 4.03Å; V388-L392 WeakPolarHBondContact O-CB 3.5Å; V388-L392 VanDerWaalsContact O-CG 3.31Å; V388-L392 WeakPolarHBondContact O-CG 3.16Å; V388-L392 PolarHBondContact O-N 3.17Å; L392-L394 PolarHBondContact O-N 2.85Å; L392-I395 HydrophobicContact CD2-CD1 4.37Å; L392-I395 PolarHBondContact O-N 3.46Å; L392-I395 VanDerWaalsContact O-N 3.08Å
393	S	76.9	Confident	68.9	Low	85 Å²	85	74.9 Å²	74.9	59%	0.594	42%	0.422	S	S	*	.	H	α-helix	trans	-63.5	-22.6	176.4	82	0	0	0	0	114.2	Q389 R390 A391	Q389-S393 WeakPolarHBondContact O-CB 3.37Å; Q389-S393 PolarHBondContact O-N 3.25Å; R390-S393 PolarHBondContact O-N 3.18Å; R390-S393 PolarHBondContact O-OG 3.45Å; A391-S393 PolarHBondContact O-N 3.39Å
394	L	76.7	Confident	67.8	Low	40 Å²	40	79.1 Å²	79.1	21%	0.209	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.7	178.5	-68.6	161.6	0	0	0	113	S363 I364 V379 I385 R390 A391 L392	S363-L394 WeakPolarHBondContact CB-O 3.41Å; S363-L394 PolarHBondContact N-O 2.88Å; S363-L394 WeakPolarHBondContact OG-CA 3.24Å; S363-L394 WeakPolarHBondContact OG-CD2 3.25Å; S363-L394 PolarHBondContact OG-O 3.37Å; I364-L394 HydrophobicContact CD1-CD1 4.18Å; I364-L394 HydrophobicContact CG1-CD2 4.4Å; V379-L394 HydrophobicContact CG1-CB 4.41Å; V379-L394 HydrophobicContact CG1-CD1 4.19Å; I385-L394 HydrophobicContact CD1-CD1 3.33Å; R390-L394 HydrophobicContact CG-CD1 4.32Å; R390-L394 WeakPolarHBondContact O-CD1 3.36Å; R390-L394 VanDerWaalsContact O-CG 3.32Å; R390-L394 WeakPolarHBondContact O-CG 3.44Å; R390-L394 PolarHBondContact O-N 3.4Å; A391-L394 WeakPolarHBondContact O-CB 3.44Å; A391-L394 PolarHBondContact O-N 3.49Å; A391-L394 VanDerWaalsContact O-N 3.15Å; L392-L394 PolarHBondContact O-N 2.85Å
395	I	78.6	Confident	67.2	Low	13 Å²	13	79 Å²	79	7%	0.067	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122	174.8	-67	156.1	0	0	0	107.6	H360 S375 R376 V379 A391 L392	H360-I395 HydrophobicContact CB-CG2 3.87Å; S375-I395 VanDerWaalsContact C-CD1 3.47Å; S375-I395 WeakPolarHBondContact OG-CD1 3.44Å; S375-I395 VanDerWaalsContact OG-CG2 3.3Å; S375-I395 WeakPolarHBondContact OG-CG2 3.47Å; R376-I395 HydrophobicContact CB-CD1 4.32Å; V379-I395 HydrophobicContact CG2-CD1 4.48Å; V379-I395 HydrophobicContact CG2-CG1 4.18Å; A391-I395 WeakPolarHBondContact O-CD1 3.32Å; A391-I395 WeakPolarHBondContact O-CG1 3.48Å; A391-I395 PolarHBondContact O-N 3.38Å; L392-I395 HydrophobicContact CD2-CD1 4.37Å; L392-I395 PolarHBondContact O-N 3.46Å; L392-I395 VanDerWaalsContact O-N 3.08Å
396	K	72	Confident	67	Low	137 Å²	137	86.1 Å²	86.1	60%	0.596	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.9	174.2	-66.1	-162.6	174.6	-168.3	0	109.4	K361 T398	K361-K396 PolarHBondContact N-O 3.46Å; K361-K396 PolarHBondContact O-N 3Å; K396-T398 PolarHBondContact O-N 3.06Å
397	P	64.5	Low	67.1	Low	88 Å²	88	81.8 Å²	81.8	57%	0.571	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	108.7	164.8	-17.7	30.8	0	0	0	108	Q399	P397-Q399 VanDerWaalsContact C-N 3.33Å; P397-Q399 PolarHBondContact O-N 2.98Å
398	T	59.4	Low	66.8	Low	57 Å²	57	85.1 Å²	85.1	35%	0.35	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	88.1	165.9	26.4	0	0	0	0	107.6	I359 K396 A400	I359-T398 PolarHBondContact O-N 3.46Å; I359-T398 PolarHBondContact O-OG1 3.48Å; K396-T398 PolarHBondContact O-N 3.06Å; T398-A400 PolarHBondContact O-N 3.16Å
399	Q	51.6	Low	66.4	Low	156 Å²	156	89.9 Å²	89.9	73%	0.729	47%	0.471	S	S	*	.			trans	-49.1	131.2	154.5	-77.5	-175.1	-16.5	0	0	107.7	P397 V401	P397-Q399 VanDerWaalsContact C-N 3.33Å; P397-Q399 PolarHBondContact O-N 2.98Å; Q399-V401 PolarHBondContact O-N 3.39Å
400	A	42.5	Very low	66.4	Low	88 Å²	88	85 Å²	85	73%	0.727	45%	0.454	S	S	*	.			trans	-70.3	77.8	177.6	0	0	0	0	0	110.1	T398 T402	T398-A400 PolarHBondContact O-N 3.16Å; A400-T402 VanDerWaalsContact C-N 3.32Å; A400-T402 PolarHBondContact O-N 3.42Å
401	V	43.6	Very low	66.4	Low	71 Å²	71	83.4 Å²	83.4	43%	0.43	46%	0.464	S	S	.	.			trans	-65.6	97.3	167.6	179.2	0	0	0	0	106.7	Q399 Y403	Q399-V401 PolarHBondContact O-N 3.39Å; V401-Y403 VanDerWaalsContact C-N 3.33Å; V401-Y403 HydrophobicContact CB-CD2 4.47Å; V401-Y403 HydrophobicContact CB-CE2 4.07Å; V401-Y403 HydrophobicContact CG1-CD1 4.25Å; V401-Y403 HydrophobicContact CG1-CD2 4.22Å; V401-Y403 HydrophobicContact CG1-CE1 3.99Å; V401-Y403 HydrophobicContact CG1-CE2 3.96Å; V401-Y403 HydrophobicContact CG1-CG 4.36Å; V401-Y403 WeakPolarHBondContact O-CD2 3.48Å; V401-Y403 PolarHBondContact O-N 3.1Å
402	T	44.6	Very low	66.1	Low	87 Å²	87	89.1 Å²	89.1	53%	0.534	49%	0.489	S	S	.	.			trans	-68.5	92.5	177.7	53.2	0	0	0	0	108.6	A400 E404	A400-T402 VanDerWaalsContact C-N 3.32Å; A400-T402 PolarHBondContact O-N 3.42Å; T402-E404 WeakPolarHBondContact CB-OE1 3.29Å; T402-E404 PolarHBondContact O-N 3.33Å; T402-E404 PolarHBondContact OG1-OE1 3.17Å
403	Y	51.3	Low	66.1	Low	121 Å²	121	87.4 Å²	87.4	48%	0.475	49%	0.485	S	S	.	.			trans	-74.5	64.1	172.1	-59.2	-88	0	0	0	110.3	V401 H405 R406 A413	V401-Y403 VanDerWaalsContact C-N 3.33Å; V401-Y403 HydrophobicContact CB-CD2 4.47Å; V401-Y403 HydrophobicContact CB-CE2 4.07Å; V401-Y403 HydrophobicContact CG1-CD1 4.25Å; V401-Y403 HydrophobicContact CG1-CD2 4.22Å; V401-Y403 HydrophobicContact CG1-CE1 3.99Å; V401-Y403 HydrophobicContact CG1-CE2 3.96Å; V401-Y403 HydrophobicContact CG1-CG 4.36Å; V401-Y403 WeakPolarHBondContact O-CD2 3.48Å; V401-Y403 PolarHBondContact O-N 3.1Å; Y403-H405 VanDerWaalsContact C-N 3.3Å; Y403-H405 PolarHBondContact O-N 2.68Å; Y403-R406 WeakPolarHBondContact O-CG 3.46Å; Y403-R406 PolarHBondContact O-NE 3.11Å; Y403-A413 HydrophobicContact CD1-CB 4.3Å; Y403-A413 HydrophobicContact CG-CB 4.08Å
404	E	61.5	Low	66.2	Low	135 Å²	135	86.1 Å²	86.1	63%	0.631	47%	0.467	S	S	*	.			trans	-62.1	-39.1	-179.5	-71.1	160	-141.1	0	0	111.1	T402 R406	T402-E404 WeakPolarHBondContact CB-OE1 3.29Å; T402-E404 PolarHBondContact O-N 3.33Å; T402-E404 PolarHBondContact OG1-OE1 3.17Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.95Å
405	H	68.8	Low	65.9	Low	63 Å²	63	88 Å²	88	29%	0.292	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	76.2	-176.2	-53.4	-59.7	0	0	0	111.3	Y403 Y414 A417 L420	Y403-H405 VanDerWaalsContact C-N 3.3Å; Y403-H405 PolarHBondContact O-N 2.68Å; H405-Y414 WeakPolarHBondContact CB-O 3.25Å; H405-Y414 PolarHBondContact O-N 3.36Å; H405-A417 PolarHBondContact CD2-N 2.99Å; H405-A417 PolarHBondContact NE2-N 2.8Å; H405-L420 HydrophobicContact CB-CB 3.79Å; H405-L420 HydrophobicContact CB-CD2 3.72Å; H405-L420 HydrophobicContact CB-CG 4.35Å
406	R	76.1	Confident	65.9	Low	174 Å²	174	93.5 Å²	93.5	66%	0.657	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.2	174.4	-60.8	-171.6	-178.8	-137.4	3.5	112.1	Y403 E404 A413	Y403-R406 WeakPolarHBondContact O-CG 3.46Å; Y403-R406 PolarHBondContact O-NE 3.11Å; E404-R406 VanDerWaalsContact C-N 3.33Å; E404-R406 PolarHBondContact O-N 2.95Å; R406-A413 HydrophobicContact CG-CB 3.87Å
407	C	78.9	Confident	66.2	Low	7 Å²	7	89.5 Å²	89.5	5%	0.047	50%	0.5	C	S	.	.			trans	-85.4	118.1	174.5	-168.1	0	0	0	0	112.2	H409 C410 G411 K412 L420 H423 H427	C407-H409 PolarHBondContact O-N 3.06Å; C407-H409 VanDerWaalsContact O-N 3.13Å; C407-C410 PolarHBondContact O-N 2.93Å; C407-G411 WeakPolarHBondContact O-CA 3.49Å; C407-G411 PolarHBondContact O-N 3.44Å; C407-K412 PolarHBondContact N-O 2.84Å; C407-L420 HydrophobicContact CB-CD1 3.64Å; C407-H423 VanDerWaalsContact CB-CD2 3.48Å; C407-H423 WeakPolarHBondContact CB-CD2 3.39Å; C407-H427 PolarHBondContact SG-CD2 2.72Å; C407-H427 PolarHBondContact SG-NE2 3.33Å
408	A	74.5	Confident	67	Low	105 Å²	105	89.9 Å²	89.9	87%	0.868	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.7	177.1	0	0	0	0	0	114.2
409	H	70.1	Confident	67.7	Low	144 Å²	144	91.5 Å²	91.5	67%	0.667	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-18.8	-174.6	-64.4	-65.8	0	0	0	115.3	C407 H427	C407-H409 PolarHBondContact O-N 3.06Å; C407-H409 VanDerWaalsContact O-N 3.13Å; H409-H427 HydrophobicContact CB-CB 3.81Å; H409-H427 VanDerWaalsContact CB-CG 3.45Å; H409-H427 VanDerWaalsContact CD2-CB 3.47Å; H409-H427 WeakPolarHBondContact CD2-CB 3.43Å; H409-H427 AromaticContact CD2-CG 3.98Å; H409-H427 AromaticContact CG-CG 3.97Å
410	C	73.4	Confident	69	Low	59 Å²	59	85.8 Å²	85.8	40%	0.399	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	18.8	177.1	81.1	0	0	0	0	115.7	C407 K412 H423 H427	C407-C410 PolarHBondContact O-N 2.93Å; C410-K412 PolarHBondContact O-N 3.13Å; C410-H423 PolarHBondContact SG-NE2 2.61Å; C410-H423 VanDerWaalsContact SG-NE2 3.36Å; C410-H427 PolarHBondContact SG-CE1 3.23Å; C410-H427 PolarHBondContact SG-NE2 3.11Å; C410-H427 VanDerWaalsContact SG-NE2 3.36Å
411	G	74.4	Confident	70.7	Confident	52 Å²	52	87.7 Å²	87.7	54%	0.536	47%	0.466	S	S	.	.			trans	67.2	-4.2	173.1	0	0	0	0	0	116.7	C407 A413	C407-G411 WeakPolarHBondContact O-CA 3.49Å; C407-G411 PolarHBondContact O-N 3.44Å; G411-A413 PolarHBondContact O-N 3.22Å
412	K	73.8	Confident	72.1	Confident	120 Å²	120	89.3 Å²	89.3	52%	0.522	47%	0.468	S	S	.	.			trans	-63.2	131.6	178.8	-72.8	-179.3	-175.5	179.2	0	110	C407 C410 Y414	C407-K412 PolarHBondContact N-O 2.84Å; C410-K412 PolarHBondContact O-N 3.13Å; K412-Y414 HydrophobicContact CB-CE2 3.67Å
413	A	76.1	Confident	73.5	Confident	34 Å²	34	85.7 Å²	85.7	28%	0.281	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.7	-168.6	0	0	0	0	0	109.9	Y403 R406 G411	Y403-A413 HydrophobicContact CD1-CB 4.3Å; Y403-A413 HydrophobicContact CG-CB 4.08Å; R406-A413 HydrophobicContact CG-CB 3.87Å; G411-A413 PolarHBondContact O-N 3.22Å
414	Y	77.5	Confident	74.4	Confident	57 Å²	57	82.1 Å²	82.1	22%	0.224	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145	-170.6	-65.7	-87.9	0	0	0	111	H405 K412 K416 M419 L420 H423	H405-Y414 WeakPolarHBondContact CB-O 3.25Å; H405-Y414 PolarHBondContact O-N 3.36Å; K412-Y414 HydrophobicContact CB-CE2 3.67Å; Y414-K416 VanDerWaalsContact C-N 3.31Å; Y414-M419 HydrophobicContact CD1-CB 3.75Å; Y414-M419 HydrophobicContact CG-CB 4.26Å; Y414-L420 HydrophobicContact CD2-CB 4.2Å; Y414-L420 HydrophobicContact CD2-CD1 4.12Å; Y414-L420 HydrophobicContact CG-CB 4.43Å; Y414-H423 HydrophobicContact CE1-CB 4.33Å; Y414-H423 HydrophobicContact CE2-CB 3.8Å; Y414-H423 AromaticContact CE2-CD2 3.36Å; Y414-H423 WeakPolarHBondContact CE2-CD2 3.44Å; Y414-H423 AromaticContact CE2-CG 3.57Å; Y414-H423 AromaticContact CZ-CD2 3.82Å; Y414-H423 AromaticContact CZ-CG 3.55Å; Y414-H423 PolarHBondContact OH-ND1 3.37Å
415	S	71.1	Confident	74.8	Confident	79 Å²	79	78.7 Å²	78.7	55%	0.552	42%	0.423	S	S	*	.	S	Bend	trans	-84.6	0.6	179.4	52.3	0	0	0	0	114.2
416	K	78.1	Confident	74.5	Confident	130 Å²	130	79.9 Å²	79.9	57%	0.565	43%	0.43	S	S	*	.	S	Bend	trans	-148.2	139.3	175.7	-65	-169.3	177.4	-171.1	0	110.7	Y414 E418 M419 L420	Y414-K416 VanDerWaalsContact C-N 3.31Å; K416-E418 VanDerWaalsContact C-N 3.28Å; K416-E418 PolarHBondContact O-N 2.93Å; K416-M419 HydrophobicContact CB-CG 4.34Å; K416-M419 PolarHBondContact O-N 3.34Å; K416-L420 PolarHBondContact O-N 3.08Å
417	A	78.8	Confident	74	Confident	53 Å²	53	74 Å²	74	44%	0.438	41%	0.411	S	S	.	.	H	α-helix	trans	-55.4	-42.6	177.5	0	0	0	0	0	112.4	H405 M419 L420 E421	H405-A417 PolarHBondContact CD2-N 2.99Å; H405-A417 PolarHBondContact NE2-N 2.8Å; A417-M419 PolarHBondContact O-N 3.13Å; A417-L420 CarbonylContact O-C 3.54Å; A417-L420 WeakPolarHBondContact O-CA 3.28Å; A417-L420 WeakPolarHBondContact O-CB 3.2Å; A417-L420 PolarHBondContact O-N 2.77Å; A417-E421 PolarHBondContact O-N 3.04Å
418	E	80.3	Confident	73.2	Confident	96 Å²	96	83 Å²	83	45%	0.449	44%	0.443	S	S	.	.	H	α-helix	trans	-54.8	-35.4	176.3	-167.5	-155.4	169.3	0	0	113.1	K416 E421 K422	K416-E418 VanDerWaalsContact C-N 3.28Å; K416-E418 PolarHBondContact O-N 2.93Å; E418-E421 PolarHBondContact O-N 3.44Å; E418-K422 WeakPolarHBondContact O-CG 3.16Å; E418-K422 PolarHBondContact O-N 2.91Å; E418-K422 VanDerWaalsContact OE1-CE 3.31Å; E418-K422 WeakPolarHBondContact OE1-CE 3.43Å; E418-K422 IonicContact OE1-NZ 3.72Å; E418-K422 PolarHBondContact OE1-NZ 3Å
419	M	74.3	Confident	72.2	Confident	90 Å²	90	86.7 Å²	86.7	44%	0.443	44%	0.44	S	S	.	.	H	α-helix	trans	-79.8	-32.8	178.2	-66.8	-66.5	179.5	0	0	111.9	Y414 K416 A417 E421 K422 H423	Y414-M419 HydrophobicContact CD1-CB 3.75Å; Y414-M419 HydrophobicContact CG-CB 4.26Å; K416-M419 HydrophobicContact CB-CG 4.34Å; K416-M419 PolarHBondContact O-N 3.34Å; A417-M419 PolarHBondContact O-N 3.13Å; M419-E421 VanDerWaalsContact C-N 3.33Å; M419-K422 HydrophobicContact SD-CD 4.37Å; M419-H423 VanDerWaalsContact O-CB 3.29Å; M419-H423 WeakPolarHBondContact O-CB 3.38Å; M419-H423 PolarHBondContact O-N 3.11Å; M419-H423 VanDerWaalsContact O-N 3.11Å
420	L	80.3	Confident	71.4	Confident	36 Å²	36	83 Å²	83	19%	0.188	43%	0.429	C	S	.	.	H	α-helix	trans	-65	-37	167.5	173.4	63.5	0	0	0	111.2	H405 C407 Y414 K416 A417 H423 S424	H405-L420 HydrophobicContact CB-CB 3.79Å; H405-L420 HydrophobicContact CB-CD2 3.72Å; H405-L420 HydrophobicContact CB-CG 4.35Å; C407-L420 HydrophobicContact CB-CD1 3.64Å; Y414-L420 HydrophobicContact CD2-CB 4.2Å; Y414-L420 HydrophobicContact CD2-CD1 4.12Å; Y414-L420 HydrophobicContact CG-CB 4.43Å; K416-L420 PolarHBondContact O-N 3.08Å; A417-L420 CarbonylContact O-C 3.54Å; A417-L420 WeakPolarHBondContact O-CA 3.28Å; A417-L420 WeakPolarHBondContact O-CB 3.2Å; A417-L420 PolarHBondContact O-N 2.77Å; L420-H423 CarbonylContact O-C 3.42Å; L420-H423 WeakPolarHBondContact O-CB 3.4Å; L420-H423 PolarHBondContact O-N 3.13Å; L420-S424 WeakPolarHBondContact O-CB 3.29Å; L420-S424 PolarHBondContact O-N 3.47Å
421	E	76.6	Confident	70.3	Confident	128 Å²	128	90 Å²	90	60%	0.598	46%	0.455	S	S	*	.	H	α-helix	trans	-68.8	-47.7	178.5	-174.3	171.2	-157.8	0	0	112	A417 E418 M419 H423 S424 I425	A417-E421 PolarHBondContact O-N 3.04Å; E418-E421 PolarHBondContact O-N 3.44Å; M419-E421 VanDerWaalsContact C-N 3.33Å; E421-H423 PolarHBondContact O-N 3.29Å; E421-H423 VanDerWaalsContact O-N 3.11Å; E421-S424 PolarHBondContact O-N 2.92Å; E421-S424 VanDerWaalsContact O-N 3.11Å; E421-S424 PolarHBondContact O-OG 2.84Å; E421-S424 VanDerWaalsContact O-OG 3.04Å; E421-I425 WeakPolarHBondContact O-CG1 3.21Å; E421-I425 PolarHBondContact O-N 3.23Å
422	K	73.2	Confident	69.1	Low	106 Å²	106	91.9 Å²	91.9	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-56.5	-28.7	170.9	-71	171.4	-171.7	175.8	0	112.3	E418 M419	E418-K422 WeakPolarHBondContact O-CG 3.16Å; E418-K422 PolarHBondContact O-N 2.91Å; E418-K422 VanDerWaalsContact OE1-CE 3.31Å; E418-K422 WeakPolarHBondContact OE1-CE 3.43Å; E418-K422 IonicContact OE1-NZ 3.72Å; E418-K422 PolarHBondContact OE1-NZ 3Å; M419-K422 HydrophobicContact SD-CD 4.37Å
423	H	73.6	Confident	67.9	Low	10 Å²	10	89.8 Å²	89.8	5%	0.046	47%	0.473	C	S	.	.	H	α-helix	trans	-83.7	-36.4	174.3	177.1	58.6	0	0	0	114.5	C407 C410 Y414 M419 L420 E421 I425 I426 H427	C407-H423 VanDerWaalsContact CB-CD2 3.48Å; C407-H423 WeakPolarHBondContact CB-CD2 3.39Å; C410-H423 PolarHBondContact SG-NE2 2.61Å; C410-H423 VanDerWaalsContact SG-NE2 3.36Å; Y414-H423 HydrophobicContact CE1-CB 4.33Å; Y414-H423 HydrophobicContact CE2-CB 3.8Å; Y414-H423 AromaticContact CE2-CD2 3.36Å; Y414-H423 WeakPolarHBondContact CE2-CD2 3.44Å; Y414-H423 AromaticContact CE2-CG 3.57Å; Y414-H423 AromaticContact CZ-CD2 3.82Å; Y414-H423 AromaticContact CZ-CG 3.55Å; Y414-H423 PolarHBondContact OH-ND1 3.37Å; M419-H423 VanDerWaalsContact O-CB 3.29Å; M419-H423 WeakPolarHBondContact O-CB 3.38Å; M419-H423 PolarHBondContact O-N 3.11Å; M419-H423 VanDerWaalsContact O-N 3.11Å; L420-H423 CarbonylContact O-C 3.42Å; L420-H423 WeakPolarHBondContact O-CB 3.4Å; L420-H423 PolarHBondContact O-N 3.13Å; E421-H423 PolarHBondContact O-N 3.29Å; E421-H423 VanDerWaalsContact O-N 3.11Å; H423-I425 PolarHBondContact O-N 3.43Å; H423-I426 WeakPolarHBondContact O-CB 3.26Å; H423-I426 WeakPolarHBondContact O-CG1 3.49Å; H423-I426 PolarHBondContact O-N 2.91Å; H423-H427 AromaticContact CD2-NE2 3.9Å; H423-H427 AromaticContact CE1-CD2 3.95Å; H423-H427 AromaticContact CE1-NE2 3.18Å; H423-H427 PolarHBondContact CE1-NE2 3.15Å; H423-H427 AromaticContact NE2-CD2 3.67Å; H423-H427 AromaticContact NE2-NE2 2.96Å; H423-H427 PolarHBondContact NE2-NE2 3.48Å
424	S	71	Confident	66.8	Low	46 Å²	46	96.5 Å²	96.5	32%	0.322	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-29.2	179.3	74.2	0	0	0	0	111.5	L420 E421 I426 H427 R428	L420-S424 WeakPolarHBondContact O-CB 3.29Å; L420-S424 PolarHBondContact O-N 3.47Å; E421-S424 PolarHBondContact O-N 2.92Å; E421-S424 VanDerWaalsContact O-N 3.11Å; E421-S424 PolarHBondContact O-OG 2.84Å; E421-S424 VanDerWaalsContact O-OG 3.04Å; S424-I426 PolarHBondContact O-N 3.3Å; S424-I426 VanDerWaalsContact O-N 3.11Å; S424-H427 PolarHBondContact O-N 2.68Å; S424-R428 PolarHBondContact O-N 2.98Å; S424-R428 VanDerWaalsContact O-N 3.11Å
425	I	70	Confident	66	Low	63 Å²	63	96.7 Å²	96.7	32%	0.323	50%	0.495	S	S	.	.	H	α-helix	trans	-57.1	-19.3	167.9	-68.2	167.3	0	0	0	112.7	E421 H423 R447	E421-I425 WeakPolarHBondContact O-CG1 3.21Å; E421-I425 PolarHBondContact O-N 3.23Å; H423-I425 PolarHBondContact O-N 3.43Å; I425-R447 VanDerWaalsContact O-CZ 3.31Å; I425-R447 PolarHBondContact O-NE 3.45Å; I425-R447 PolarHBondContact O-NH2 3.27Å
426	I	63.1	Low	65.8	Low	88 Å²	88	95.8 Å²	95.8	45%	0.451	49%	0.488	S	S	.	.	H	α-helix	trans	-76.3	-34.9	172.2	-54.1	-178.5	0	0	0	111.3	H423 S424 R447 W448	H423-I426 WeakPolarHBondContact O-CB 3.26Å; H423-I426 WeakPolarHBondContact O-CG1 3.49Å; H423-I426 PolarHBondContact O-N 2.91Å; S424-I426 PolarHBondContact O-N 3.3Å; S424-I426 VanDerWaalsContact O-N 3.11Å; I426-R447 PolarHBondContact O-NH2 3.02Å; I426-W448 HydrophobicContact CG1-CZ2 4.47Å
427	H	64.9	Low	65.4	Low	52 Å²	52	92.8 Å²	92.8	24%	0.241	48%	0.475	C	S	.	.	H	α-helix	trans	-89.5	-18.6	-175.5	-60.4	-68.4	0	0	0	114.6	C407 H409 C410 H423 S424 K429	C407-H427 PolarHBondContact SG-CD2 2.72Å; C407-H427 PolarHBondContact SG-NE2 3.33Å; H409-H427 HydrophobicContact CB-CB 3.81Å; H409-H427 VanDerWaalsContact CB-CG 3.45Å; H409-H427 VanDerWaalsContact CD2-CB 3.47Å; H409-H427 WeakPolarHBondContact CD2-CB 3.43Å; H409-H427 AromaticContact CD2-CG 3.98Å; H409-H427 AromaticContact CG-CG 3.97Å; C410-H427 PolarHBondContact SG-CE1 3.23Å; C410-H427 PolarHBondContact SG-NE2 3.11Å; C410-H427 VanDerWaalsContact SG-NE2 3.36Å; H423-H427 AromaticContact CD2-NE2 3.9Å; H423-H427 AromaticContact CE1-CD2 3.95Å; H423-H427 AromaticContact CE1-NE2 3.18Å; H423-H427 PolarHBondContact CE1-NE2 3.15Å; H423-H427 AromaticContact NE2-CD2 3.67Å; H423-H427 AromaticContact NE2-NE2 2.96Å; H423-H427 PolarHBondContact NE2-NE2 3.48Å; S424-H427 PolarHBondContact O-N 2.68Å; H427-K429 VanDerWaalsContact C-N 3.33Å; H427-K429 PolarHBondContact O-N 3.26Å
428	R	63.2	Low	65.1	Low	195 Å²	195	94.1 Å²	94.1	74%	0.736	48%	0.478	S	S	*	.			trans	-56	95.9	164.2	-102.5	-179.3	164.2	159.3	-3.5	109.3	S424 R447	S424-R428 PolarHBondContact O-N 2.98Å; S424-R428 VanDerWaalsContact O-N 3.11Å; R428-R447 PolarHBondContact O-NH2 3.41Å
429	K	51.7	Low	65.1	Low	182 Å²	182	89.7 Å²	89.7	79%	0.791	46%	0.457	S	S	*	.			trans	-55.2	127.8	160.9	-87.6	-176	173.7	179.5	0	106.6	H427 E431	H427-K429 VanDerWaalsContact C-N 3.33Å; H427-K429 PolarHBondContact O-N 3.26Å; K429-E431 PolarHBondContact O-N 3.34Å; K429-E431 VanDerWaalsContact O-N 3.12Å
430	P	53.8	Low	65.1	Low	67 Å²	67	96.7 Å²	96.7	44%	0.435	48%	0.479	S	S	.	.			trans	-72.2	108.1	172.9	32.2	-33.6	0	0	0	107	S432	P430-S432 CarbonylContact C-O 3.51Å; P430-S432 VanDerWaalsContact C-O 3.3Å; P430-S432 WeakPolarHBondContact CB-O 3.47Å; P430-S432 CarbonylContact O-C 3.55Å; P430-S432 PolarHBondContact O-N 3Å
431	E	50.5	Low	64.4	Low	206 Å²	206	102.1 Å²	102.1	96%	0.963	50%	0.501	S	S	*	.	S	Bend	trans	-68.9	-13.5	-172.3	-66.3	175.1	132.8	0	0	113.2	K429	K429-E431 PolarHBondContact O-N 3.34Å; K429-E431 VanDerWaalsContact O-N 3.12Å
432	S	49	Very low	64.2	Low	92 Å²	92	98.7 Å²	98.7	64%	0.643	49%	0.491	S	S	*	.	S	Bend	trans	-120.4	148.9	153.4	175.8	0	0	0	0	107.9	P430 Y434	P430-S432 CarbonylContact C-O 3.51Å; P430-S432 VanDerWaalsContact C-O 3.3Å; P430-S432 WeakPolarHBondContact CB-O 3.47Å; P430-S432 CarbonylContact O-C 3.55Å; P430-S432 PolarHBondContact O-N 3Å; S432-Y434 PolarHBondContact O-N 3.23Å
433	G	49.8	Very low	64.2	Low	75 Å²	75	96.2 Å²	96.2	77%	0.773	50%	0.495	S	S	*	.			trans	-65.3	18.8	-173.2	0	0	0	0	0	116.8	M435	G433-M435 PolarHBondContact O-N 3.27Å
434	Y	52.5	Low	64.2	Low	176 Å²	176	101.6 Å²	101.6	69%	0.69	52%	0.519	S	S	*	.			trans	-74.9	88.5	-175.6	-160.5	-99.2	0	0	0	111.7	S432 P436	S432-Y434 PolarHBondContact O-N 3.23Å; Y434-P436 HydrophobicContact CD1-CB 4.03Å; Y434-P436 HydrophobicContact CE1-CB 3.8Å; Y434-P436 VanDerWaalsContact O-CD 3.29Å; Y434-P436 WeakPolarHBondContact O-CD 3.22Å
435	M	59.8	Low	64.5	Low	60 Å²	60	102.9 Å²	102.9	30%	0.296	53%	0.525	S	S	.	.			trans	-79	105	162.2	-76.1	-92.3	-85.2	0	0	108	G433 F437 T445 R447	G433-M435 PolarHBondContact O-N 3.27Å; M435-F437 VanDerWaalsContact C-N 3.26Å; M435-F437 PolarHBondContact O-N 3.29Å; M435-F437 VanDerWaalsContact O-N 3.11Å; M435-T445 WeakPolarHBondContact CE-O 3.19Å; M435-R447 HydrophobicContact SD-CB 4.15Å; M435-R447 HydrophobicContact SD-CG 4.47Å
436	P	67.8	Low	64.8	Low	61 Å²	61	101.9 Å²	101.9	40%	0.396	52%	0.518	S	S	.	.	S	Bend	trans	-71.5	-13.5	-158.6	25.1	-33.5	0	0	0	115.3	Y434	Y434-P436 HydrophobicContact CD1-CB 4.03Å; Y434-P436 HydrophobicContact CE1-CB 3.8Å; Y434-P436 VanDerWaalsContact O-CD 3.29Å; Y434-P436 WeakPolarHBondContact O-CD 3.22Å
437	F	68.5	Low	65.1	Low	66 Å²	66	101.5 Å²	101.5	29%	0.289	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	87.5	-175.8	-60.2	-69.5	0	0	0	110.5	M435 F446 N449 L452	M435-F437 VanDerWaalsContact C-N 3.26Å; M435-F437 PolarHBondContact O-N 3.29Å; M435-F437 VanDerWaalsContact O-N 3.11Å; F437-F446 HydrophobicContact CB-CB 4.22Å; F437-F446 PolarHBondContact N-O 3.42Å; F437-F446 PolarHBondContact O-N 3.34Å; F437-N449 HydrophobicContact CD1-CB 3.85Å; F437-N449 HydrophobicContact CD2-CB 4.28Å; F437-N449 HydrophobicContact CE1-CB 3.61Å; F437-N449 HydrophobicContact CE2-CB 4.06Å; F437-N449 HydrophobicContact CG-CB 4.19Å; F437-N449 HydrophobicContact CZ-CB 3.73Å; F437-L452 HydrophobicContact CB-CB 3.9Å; F437-L452 HydrophobicContact CB-CD2 3.79Å; F437-L452 HydrophobicContact CB-CG 4.46Å; F437-L452 HydrophobicContact CD1-CD2 4.43Å
438	T	74	Confident	65.5	Low	81 Å²	81	104 Å²	104	50%	0.497	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.3	178.5	63	0	0	0	0	111.3	T445	T438-T445 HydrophobicContact CG2-CG2 3.82Å
439	C	79.9	Confident	65.9	Low	3 Å²	3	98.2 Å²	98.2	2%	0.02	50%	0.502	C	S	.	.			trans	-80.8	119.5	174.6	-175.7	0	0	0	0	111.1	F441 G443 K444 F446 L452 H455 H459	C439-F441 PolarHBondContact O-N 3.23Å; C439-G443 WeakPolarHBondContact O-CA 3.31Å; C439-G443 PolarHBondContact O-N 2.83Å; C439-K444 HydrophobicContact CB-CB 4.47Å; C439-K444 WeakPolarHBondContact CB-O 3.37Å; C439-K444 PolarHBondContact N-O 3.21Å; C439-F446 HydrophobicContact CB-CE2 4.35Å; C439-L452 HydrophobicContact CB-CD1 3.82Å; C439-H455 PolarHBondContact SG-NE2 3.46Å; C439-H455 VanDerWaalsContact SG-NE2 3.44Å; C439-H459 PolarHBondContact SG-CD2 3.41Å; C439-H459 PolarHBondContact SG-NE2 3.04Å
440	R	73.2	Confident	67.1	Low	237 Å²	237	95.6 Å²	95.6	89%	0.894	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28	178.1	-65.9	-177.8	177.5	178.3	-1.7	114
441	F	66.2	Low	68.2	Low	151 Å²	151	95.1 Å²	95.1	66%	0.662	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-22.1	-173.2	-60.8	-69.9	0	0	0	114.9	C439 L456 H459	C439-F441 PolarHBondContact O-N 3.23Å; F441-L456 HydrophobicContact CD2-CD2 4.09Å; F441-L456 HydrophobicContact CE2-CD2 4.14Å; F441-H459 HydrophobicContact CB-CB 4.23Å; F441-H459 WeakPolarHBondContact CB-ND1 3.35Å; F441-H459 HydrophobicContact CD2-CB 3.68Å; F441-H459 AromaticContact CD2-CG 3.8Å; F441-H459 HydrophobicContact CE2-CB 4.28Å; F441-H459 HydrophobicContact CG-CB 4.08Å; F441-H459 AromaticContact CG-CG 3.97Å
442	C	71.6	Confident	69.6	Low	55 Å²	55	86.1 Å²	86.1	37%	0.372	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	18.6	179	72.1	0	0	0	0	115.4	K444 H455 H459	C442-K444 PolarHBondContact O-N 3.2Å; C442-H455 PolarHBondContact SG-NE2 3.48Å; C442-H459 PolarHBondContact SG-CE1 3.33Å; C442-H459 PolarHBondContact SG-NE2 2.84Å
443	G	74.2	Confident	70.8	Confident	54 Å²	54	86.3 Å²	86.3	56%	0.557	44%	0.435	S	S	*	.			trans	68.5	-10.6	174.4	0	0	0	0	0	116.5	C439 T445	C439-G443 WeakPolarHBondContact O-CA 3.31Å; C439-G443 PolarHBondContact O-N 2.83Å; G443-T445 WeakPolarHBondContact O-CG2 3.37Å; G443-T445 PolarHBondContact O-N 3.44Å
444	K	73.6	Confident	71.9	Confident	124 Å²	124	88.8 Å²	88.8	54%	0.539	43%	0.425	S	S	.	.			trans	-56.4	128.1	-179.2	-71.5	176.4	-171.9	166	0	110.8	C439 C442 F446	C439-K444 HydrophobicContact CB-CB 4.47Å; C439-K444 WeakPolarHBondContact CB-O 3.37Å; C439-K444 PolarHBondContact N-O 3.21Å; C442-K444 PolarHBondContact O-N 3.2Å; K444-F446 HydrophobicContact CB-CE2 3.62Å; K444-F446 HydrophobicContact CB-CZ 3.91Å; K444-F446 WeakPolarHBondContact O-CD2 3.46Å; K444-F446 VanDerWaalsContact O-CE2 3.28Å; K444-F446 WeakPolarHBondContact O-CE2 3.45Å
445	T	78	Confident	73.1	Confident	73 Å²	73	81.2 Å²	81.2	45%	0.448	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.3	-176.3	68.7	0	0	0	0	110.7	M435 T438 G443	M435-T445 WeakPolarHBondContact CE-O 3.19Å; T438-T445 HydrophobicContact CG2-CG2 3.82Å; G443-T445 WeakPolarHBondContact O-CG2 3.37Å; G443-T445 PolarHBondContact O-N 3.44Å
446	F	76.2	Confident	73.6	Confident	41 Å²	41	80.6 Å²	80.6	18%	0.18	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.3	-174.3	-63.1	-91.1	0	0	0	111.2	F437 C439 K444 W448 N451 L452 H455	F437-F446 HydrophobicContact CB-CB 4.22Å; F437-F446 PolarHBondContact N-O 3.42Å; F437-F446 PolarHBondContact O-N 3.34Å; C439-F446 HydrophobicContact CB-CE2 4.35Å; K444-F446 HydrophobicContact CB-CE2 3.62Å; K444-F446 HydrophobicContact CB-CZ 3.91Å; K444-F446 WeakPolarHBondContact O-CD2 3.46Å; K444-F446 VanDerWaalsContact O-CE2 3.28Å; K444-F446 WeakPolarHBondContact O-CE2 3.45Å; F446-W448 VanDerWaalsContact C-N 3.34Å; F446-N451 HydrophobicContact CB-CB 4.38Å; F446-N451 HydrophobicContact CD1-CB 3.85Å; F446-N451 HydrophobicContact CG-CB 4.46Å; F446-L452 HydrophobicContact CB-CB 4.28Å; F446-L452 HydrophobicContact CD2-CB 4.16Å; F446-L452 HydrophobicContact CD2-CD1 3.98Å; F446-L452 HydrophobicContact CE2-CD1 4.25Å; F446-L452 HydrophobicContact CG-CB 4.32Å; F446-H455 HydrophobicContact CE1-CB 4.07Å; F446-H455 HydrophobicContact CE2-CB 4.09Å; F446-H455 AromaticContact CE2-CD2 3.19Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.36Å; F446-H455 AromaticContact CE2-CG 3.77Å; F446-H455 AromaticContact CE2-NE2 3.96Å; F446-H455 HydrophobicContact CZ-CB 3.61Å; F446-H455 AromaticContact CZ-CD2 3.27Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.47Å; F446-H455 AromaticContact CZ-CG 3.37Å; F446-H455 AromaticContact CZ-NE2 4Å
447	R	69.8	Low	73.7	Confident	81 Å²	81	81.4 Å²	81.4	31%	0.306	40%	0.397	S	S	.	.	S	Bend	trans	-74.1	-23.8	179.9	-160	177.9	-170.5	88.6	0.2	113.2	I425 I426 R428 M435	I425-R447 VanDerWaalsContact O-CZ 3.31Å; I425-R447 PolarHBondContact O-NE 3.45Å; I425-R447 PolarHBondContact O-NH2 3.27Å; I426-R447 PolarHBondContact O-NH2 3.02Å; R428-R447 PolarHBondContact O-NH2 3.41Å; M435-R447 HydrophobicContact SD-CB 4.15Å; M435-R447 HydrophobicContact SD-CG 4.47Å
448	W	71.3	Confident	73.5	Confident	104 Å²	104	80.6 Å²	80.6	39%	0.394	40%	0.4	S	S	.	.	S	Bend	trans	-139.5	144	-175.3	-58	-41.4	0	0	0	111.1	I426 F446 E450 N451 L452	I426-W448 HydrophobicContact CG1-CZ2 4.47Å; F446-W448 VanDerWaalsContact C-N 3.34Å; W448-E450 VanDerWaalsContact C-N 3.31Å; W448-E450 PolarHBondContact O-N 3.37Å; W448-N451 PolarHBondContact O-N 3.31Å; W448-N451 VanDerWaalsContact O-N 3.09Å; W448-L452 PolarHBondContact O-N 3.2Å
449	N	73.3	Confident	73.2	Confident	73 Å²	73	79.3 Å²	79.3	39%	0.39	39%	0.388	S	S	.	.	H	α-helix	trans	-57.8	-43.1	179.3	-169.6	10.7	0	0	0	111.4	F437 N451 L452 Q453	F437-N449 HydrophobicContact CD1-CB 3.85Å; F437-N449 HydrophobicContact CD2-CB 4.28Å; F437-N449 HydrophobicContact CE1-CB 3.61Å; F437-N449 HydrophobicContact CE2-CB 4.06Å; F437-N449 HydrophobicContact CG-CB 4.19Å; F437-N449 HydrophobicContact CZ-CB 3.73Å; N449-N451 PolarHBondContact O-N 3.3Å; N449-N451 VanDerWaalsContact O-N 3.11Å; N449-L452 CarbonylContact O-C 3.5Å; N449-L452 WeakPolarHBondContact O-CA 3.39Å; N449-L452 WeakPolarHBondContact O-CB 3.4Å; N449-L452 PolarHBondContact O-N 2.94Å; N449-Q453 WeakPolarHBondContact O-CG 3.39Å; N449-Q453 PolarHBondContact O-N 3.24Å; N449-Q453 PolarHBondContact OD1-NE2 2.9Å
450	E	77.2	Confident	72.3	Confident	127 Å²	127	85.1 Å²	85.1	59%	0.593	42%	0.419	S	S	*	.	H	α-helix	trans	-51.1	-38.5	176.1	-73	-173.6	-137.1	0	0	113.9	W448 Q453 K454	W448-E450 VanDerWaalsContact C-N 3.31Å; W448-E450 PolarHBondContact O-N 3.37Å; E450-Q453 PolarHBondContact O-N 3.23Å; E450-K454 WeakPolarHBondContact O-CB 3.43Å; E450-K454 VanDerWaalsContact O-CD 3.31Å; E450-K454 WeakPolarHBondContact O-CD 3.28Å; E450-K454 WeakPolarHBondContact O-CG 3.34Å; E450-K454 PolarHBondContact O-N 2.9Å; E450-K454 IonicContact OE2-NZ 2.59Å; E450-K454 PolarHBondContact OE2-NZ 3.44Å
451	N	76.9	Confident	71.2	Confident	57 Å²	57	77.8 Å²	77.8	31%	0.305	40%	0.404	S	S	.	.	H	α-helix	trans	-78.6	-27.8	-179.5	-69.1	-6.5	0	0	0	111.7	F446 W448 N449 H455	F446-N451 HydrophobicContact CB-CB 4.38Å; F446-N451 HydrophobicContact CD1-CB 3.85Å; F446-N451 HydrophobicContact CG-CB 4.46Å; W448-N451 PolarHBondContact O-N 3.31Å; W448-N451 VanDerWaalsContact O-N 3.09Å; N449-N451 PolarHBondContact O-N 3.3Å; N449-N451 VanDerWaalsContact O-N 3.11Å; N451-H455 WeakPolarHBondContact O-CB 3.38Å; N451-H455 PolarHBondContact O-N 3.23Å
452	L	79.3	Confident	70.7	Confident	17 Å²	17	78.1 Å²	78.1	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-68.2	-44.1	166	175.5	62	0	0	0	110.8	F437 C439 F446 W448 N449 K454 H455 L456	F437-L452 HydrophobicContact CB-CB 3.9Å; F437-L452 HydrophobicContact CB-CD2 3.79Å; F437-L452 HydrophobicContact CB-CG 4.46Å; F437-L452 HydrophobicContact CD1-CD2 4.43Å; C439-L452 HydrophobicContact CB-CD1 3.82Å; F446-L452 HydrophobicContact CB-CB 4.28Å; F446-L452 HydrophobicContact CD2-CB 4.16Å; F446-L452 HydrophobicContact CD2-CD1 3.98Å; F446-L452 HydrophobicContact CE2-CD1 4.25Å; F446-L452 HydrophobicContact CG-CB 4.32Å; W448-L452 PolarHBondContact O-N 3.2Å; N449-L452 CarbonylContact O-C 3.5Å; N449-L452 WeakPolarHBondContact O-CA 3.39Å; N449-L452 WeakPolarHBondContact O-CB 3.4Å; N449-L452 PolarHBondContact O-N 2.94Å; L452-K454 PolarHBondContact O-N 3.33Å; L452-H455 CarbonylContact O-C 3.52Å; L452-H455 WeakPolarHBondContact O-CA 3.34Å; L452-H455 WeakPolarHBondContact O-CB 3.5Å; L452-H455 PolarHBondContact O-N 2.84Å; L452-L456 HydrophobicContact CD1-CD1 4.35Å; L452-L456 HydrophobicContact CD1-CD2 4.32Å; L452-L456 HydrophobicContact CD1-CG 4.03Å; L452-L456 HydrophobicContact CG-CD1 4Å; L452-L456 HydrophobicContact CG-CG 4.17Å; L452-L456 WeakPolarHBondContact O-CG 3.33Å; L452-L456 PolarHBondContact O-N 2.88Å
453	Q	74.8	Confident	70	Confident	96 Å²	96	83.6 Å²	83.6	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-47	177	-61.7	-54.9	-35.6	0	0	111.7	N449 E450 H455 L456 T457	N449-Q453 WeakPolarHBondContact O-CG 3.39Å; N449-Q453 PolarHBondContact O-N 3.24Å; N449-Q453 PolarHBondContact OD1-NE2 2.9Å; E450-Q453 PolarHBondContact O-N 3.23Å; Q453-H455 PolarHBondContact O-N 3.09Å; Q453-L456 PolarHBondContact O-N 3.27Å; Q453-L456 VanDerWaalsContact O-N 3.15Å; Q453-T457 PolarHBondContact O-N 2.86Å; Q453-T457 PolarHBondContact O-OG1 3.1Å
454	K	71.4	Confident	69.5	Low	127 Å²	127	84.9 Å²	84.9	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-63.4	-6.2	172.7	-66.4	161.5	-163.4	164.7	0	113.8	E450 L452 T457	E450-K454 WeakPolarHBondContact O-CB 3.43Å; E450-K454 VanDerWaalsContact O-CD 3.31Å; E450-K454 WeakPolarHBondContact O-CD 3.28Å; E450-K454 WeakPolarHBondContact O-CG 3.34Å; E450-K454 PolarHBondContact O-N 2.9Å; E450-K454 IonicContact OE2-NZ 2.59Å; E450-K454 PolarHBondContact OE2-NZ 3.44Å; L452-K454 PolarHBondContact O-N 3.33Å; K454-T457 PolarHBondContact O-OG1 3.3Å
455	H	77.5	Confident	69.1	Low	17 Å²	17	81.3 Å²	81.3	8%	0.079	41%	0.414	C	S	.	.	H	α-helix	trans	-110.5	-28.4	173.7	173.3	52.5	0	0	0	113	C439 C442 F446 N451 L452 Q453 T457 S458 H459	C439-H455 PolarHBondContact SG-NE2 3.46Å; C439-H455 VanDerWaalsContact SG-NE2 3.44Å; C442-H455 PolarHBondContact SG-NE2 3.48Å; F446-H455 HydrophobicContact CE1-CB 4.07Å; F446-H455 HydrophobicContact CE2-CB 4.09Å; F446-H455 AromaticContact CE2-CD2 3.19Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.36Å; F446-H455 AromaticContact CE2-CG 3.77Å; F446-H455 AromaticContact CE2-NE2 3.96Å; F446-H455 HydrophobicContact CZ-CB 3.61Å; F446-H455 AromaticContact CZ-CD2 3.27Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.47Å; F446-H455 AromaticContact CZ-CG 3.37Å; F446-H455 AromaticContact CZ-NE2 4Å; N451-H455 WeakPolarHBondContact O-CB 3.38Å; N451-H455 PolarHBondContact O-N 3.23Å; L452-H455 CarbonylContact O-C 3.52Å; L452-H455 WeakPolarHBondContact O-CA 3.34Å; L452-H455 WeakPolarHBondContact O-CB 3.5Å; L452-H455 PolarHBondContact O-N 2.84Å; Q453-H455 PolarHBondContact O-N 3.09Å; H455-T457 PolarHBondContact O-N 3.29Å; H455-S458 PolarHBondContact ND1-OG 3.31Å; H455-S458 WeakPolarHBondContact O-CA 3.33Å; H455-S458 WeakPolarHBondContact O-CB 3.39Å; H455-S458 PolarHBondContact O-N 2.86Å; H455-S458 PolarHBondContact O-OG 3.06Å; H455-H459 AromaticContact CD2-NE2 3.9Å; H455-H459 AromaticContact CE1-CD2 3.73Å; H455-H459 AromaticContact CE1-CE1 3.99Å; H455-H459 AromaticContact CE1-NE2 3.05Å; H455-H459 PolarHBondContact CE1-NE2 3.07Å; H455-H459 AromaticContact ND1-NE2 3.99Å; H455-H459 AromaticContact NE2-CD2 3.68Å; H455-H459 AromaticContact NE2-NE2 2.98Å; H455-H459 PolarHBondContact NE2-NE2 3.15Å; H455-H459 PolarHBondContact O-CD2 3.43Å
456	L	71.1	Confident	68.8	Low	47 Å²	47	83.1 Å²	83.1	25%	0.246	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-35.1	169.5	-70.9	170.1	0	0	0	110.1	F441 L452 Q453 S458 H459 D460	F441-L456 HydrophobicContact CD2-CD2 4.09Å; F441-L456 HydrophobicContact CE2-CD2 4.14Å; L452-L456 HydrophobicContact CD1-CD1 4.35Å; L452-L456 HydrophobicContact CD1-CD2 4.32Å; L452-L456 HydrophobicContact CD1-CG 4.03Å; L452-L456 HydrophobicContact CG-CD1 4Å; L452-L456 HydrophobicContact CG-CG 4.17Å; L452-L456 WeakPolarHBondContact O-CG 3.33Å; L452-L456 PolarHBondContact O-N 2.88Å; Q453-L456 PolarHBondContact O-N 3.27Å; Q453-L456 VanDerWaalsContact O-N 3.15Å; L456-S458 PolarHBondContact O-N 3.06Å; L456-H459 PolarHBondContact O-N 3.42Å; L456-D460 WeakPolarHBondContact O-CB 3.4Å; L456-D460 PolarHBondContact O-N 3.38Å
457	T	69.8	Low	68.8	Low	78 Å²	78	81.1 Å²	81.1	48%	0.479	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	11.3	166.9	59	0	0	0	0	115.2	Q453 K454 H455 N476	Q453-T457 PolarHBondContact O-N 2.86Å; Q453-T457 PolarHBondContact O-OG1 3.1Å; K454-T457 PolarHBondContact O-OG1 3.3Å; H455-T457 PolarHBondContact O-N 3.29Å; T457-N476 PolarHBondContact O-ND2 3.26Å
458	S	64.8	Low	68.9	Low	49 Å²	49	82.3 Å²	82.3	34%	0.343	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	2.1	164.5	68.6	0	0	0	0	114	H455 L456	H455-S458 PolarHBondContact ND1-OG 3.31Å; H455-S458 WeakPolarHBondContact O-CA 3.33Å; H455-S458 WeakPolarHBondContact O-CB 3.39Å; H455-S458 PolarHBondContact O-N 2.86Å; H455-S458 PolarHBondContact O-OG 3.06Å; L456-S458 PolarHBondContact O-N 3.06Å
459	H	66.4	Low	68.7	Low	54 Å²	54	82.2 Å²	82.2	25%	0.25	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-22.8	163.6	-66.1	-71.5	0	0	0	112.2	C439 F441 C442 H455 L456 S461	C439-H459 PolarHBondContact SG-CD2 3.41Å; C439-H459 PolarHBondContact SG-NE2 3.04Å; F441-H459 HydrophobicContact CB-CB 4.23Å; F441-H459 WeakPolarHBondContact CB-ND1 3.35Å; F441-H459 HydrophobicContact CD2-CB 3.68Å; F441-H459 AromaticContact CD2-CG 3.8Å; F441-H459 HydrophobicContact CE2-CB 4.28Å; F441-H459 HydrophobicContact CG-CB 4.08Å; F441-H459 AromaticContact CG-CG 3.97Å; C442-H459 PolarHBondContact SG-CE1 3.33Å; C442-H459 PolarHBondContact SG-NE2 2.84Å; H455-H459 AromaticContact CD2-NE2 3.9Å; H455-H459 AromaticContact CE1-CD2 3.73Å; H455-H459 AromaticContact CE1-CE1 3.99Å; H455-H459 AromaticContact CE1-NE2 3.05Å; H455-H459 PolarHBondContact CE1-NE2 3.07Å; H455-H459 AromaticContact ND1-NE2 3.99Å; H455-H459 AromaticContact NE2-CD2 3.68Å; H455-H459 AromaticContact NE2-NE2 2.98Å; H455-H459 PolarHBondContact NE2-NE2 3.15Å; H455-H459 PolarHBondContact O-CD2 3.43Å; L456-H459 PolarHBondContact O-N 3.42Å; H459-S461 PolarHBondContact O-N 3.5Å
460	D	61.4	Low	68.7	Low	125 Å²	125	81.1 Å²	81.1	67%	0.668	43%	0.429	S	S	*	.	S	Bend	trans	-73.7	56.3	171.4	-154.2	12.2	0	0	0	110.2	L456 Q462	L456-D460 WeakPolarHBondContact O-CB 3.4Å; L456-D460 PolarHBondContact O-N 3.38Å; D460-Q462 PolarHBondContact O-N 3.47Å
461	S	51.4	Low	68.3	Low	83 Å²	83	78.6 Å²	78.6	58%	0.58	43%	0.425	S	S	*	.			trans	-79.5	86.1	179.1	58.1	0	0	0	0	109.5	H459	H459-S461 PolarHBondContact O-N 3.5Å
462	Q	54.3	Low	68.1	Low	159 Å²	159	81 Å²	81	74%	0.743	43%	0.434	S	S	*	.			trans	-42	142.2	134.6	-63.7	-80.8	-63.6	0	0	108.4	D460	D460-Q462 PolarHBondContact O-N 3.47Å
463	E	56.6	Low	67.7	Low	170 Å²	170	86.4 Å²	86.4	79%	0.794	46%	0.461	S	S	*	.	S	Bend	trans	-48	145.5	-166.8	-64.8	-179	120.1	0	0	113.6	V465	E463-V465 WeakPolarHBondContact O-CG2 3.41Å; E463-V465 PolarHBondContact O-N 3.05Å
464	P	63.8	Low	67.7	Low	80 Å²	80	83.5 Å²	83.5	52%	0.519	45%	0.447	S	S	.	.			trans	-56.8	103.5	-172.1	23.2	-34.6	0	0	0	111.5	Q466 M473 F474	P464-Q466 PolarHBondContact O-N 2.83Å; P464-Q466 VanDerWaalsContact O-N 3.08Å; P464-M473 HydrophobicContact CB-CB 4.48Å; P464-M473 HydrophobicContact CB-SD 4.39Å; P464-M473 HydrophobicContact CG-SD 4.4Å; P464-F474 CarbonylContact C-O 3.54Å; P464-F474 WeakPolarHBondContact CA-O 3.42Å
465	V	65.8	Low	67.6	Low	49 Å²	49	79.8 Å²	79.8	30%	0.297	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	111.4	-163.8	-153.9	0	0	0	0	109.7	E463 F474 L480	E463-V465 WeakPolarHBondContact O-CG2 3.41Å; E463-V465 PolarHBondContact O-N 3.05Å; V465-F474 PolarHBondContact N-O 2.9Å; V465-F474 PolarHBondContact O-N 3.15Å; V465-L480 HydrophobicContact CB-CD2 3.91Å; V465-L480 HydrophobicContact CG1-CD2 3.43Å; V465-L480 VanDerWaalsContact CG1-CD2 3.43Å
466	Q	71.5	Confident	67.2	Low	111 Å²	111	80.4 Å²	80.4	52%	0.519	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136	177.4	-176.6	175.6	-20.9	0	0	110.4	P464 S471	P464-Q466 PolarHBondContact O-N 2.83Å; P464-Q466 VanDerWaalsContact O-N 3.08Å; Q466-S471 PolarHBondContact NE2-OG 3.17Å
467	C	77.3	Confident	67.4	Low	0 Å²	0	82.1 Å²	82.1	0%	0	46%	0.457	C	S	.	.			trans	-68.9	125.9	168.8	177.3	0	0	0	0	110.3	E469 S471 Q472 F474 L480 H483 H488	C467-E469 PolarHBondContact O-N 3.36Å; C467-S471 WeakPolarHBondContact O-CA 3.46Å; C467-S471 PolarHBondContact O-N 3.35Å; C467-Q472 PolarHBondContact N-O 3.26Å; C467-F474 HydrophobicContact CB-CE2 4.16Å; C467-L480 HydrophobicContact CB-CD1 3.72Å; C467-H483 PolarHBondContact SG-NE2 3.35Å; C467-H483 VanDerWaalsContact SG-NE2 3.41Å; C467-H488 PolarHBondContact SG-CD2 3.35Å
468	P	71.8	Confident	67.6	Low	106 Å²	106	82.9 Å²	82.9	69%	0.688	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.1	-177	27	-35.7	0	0	0	114.1	Y484	P468-Y484 HydrophobicContact CG-CE2 4.37Å
469	E	67.2	Low	67.8	Low	102 Å²	102	87.5 Å²	87.5	48%	0.477	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-17.5	-175.4	-74.5	178.8	-127.8	0	0	114.9	C467 Y484 H488	C467-E469 PolarHBondContact O-N 3.36Å; E469-Y484 WeakPolarHBondContact OE1-CE2 3.3Å; E469-Y484 PolarHBondContact OE1-OH 3.14Å; E469-H488 WeakPolarHBondContact CB-CE1 3.37Å; E469-H488 WeakPolarHBondContact CB-ND1 3.17Å; E469-H488 VanDerWaalsContact CD-ND1 3.35Å; E469-H488 IonicContact OE2-CE1 3.86Å; E469-H488 IonicContact OE2-CG 2.61Å; E469-H488 IonicContact OE2-ND1 3Å; E469-H488 PolarHBondContact OE2-ND1 2.82Å
470	C	71.5	Confident	68.3	Low	50 Å²	50	86 Å²	86	34%	0.338	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	7.9	177.5	75.8	0	0	0	0	115.7	Q472 H483 H488	C470-Q472 PolarHBondContact O-N 2.98Å; C470-Q472 VanDerWaalsContact SG-CG 3.5Å; C470-H483 PolarHBondContact SG-CE1 2.96Å; C470-H483 PolarHBondContact SG-NE2 3.37Å; C470-H488 PolarHBondContact SG-NE2 3.17Å
471	S	69.2	Low	68.9	Low	74 Å²	74	83.1 Å²	83.1	52%	0.517	45%	0.45	S	S	.	.			trans	57.2	13	175.2	-58.7	0	0	0	0	116.8	Q466 C467 M473	Q466-S471 PolarHBondContact NE2-OG 3.17Å; C467-S471 WeakPolarHBondContact O-CA 3.46Å; C467-S471 PolarHBondContact O-N 3.35Å; S471-M473 PolarHBondContact O-N 3.14Å
472	Q	73.3	Confident	69.9	Low	106 Å²	106	83.7 Å²	83.7	50%	0.495	45%	0.449	S	S	.	.			trans	-65.9	129.6	169	-69.4	-84.5	-51.9	0	0	109.8	C467 C470 F474	C467-Q472 PolarHBondContact N-O 3.26Å; C470-Q472 PolarHBondContact O-N 2.98Å; C470-Q472 VanDerWaalsContact SG-CG 3.5Å; Q472-F474 HydrophobicContact CB-CE2 3.48Å; Q472-F474 VanDerWaalsContact CB-CE2 3.48Å; Q472-F474 HydrophobicContact CB-CZ 3.54Å; Q472-F474 HydrophobicContact CG-CZ 4.47Å; Q472-F474 WeakPolarHBondContact O-CD2 3.49Å; Q472-F474 VanDerWaalsContact O-CE2 3.23Å; Q472-F474 WeakPolarHBondContact O-CE2 3.12Å
473	M	70.2	Confident	70.8	Confident	132 Å²	132	77 Å²	77	65%	0.65	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.9	176.2	-60.8	-163.9	-53.4	0	0	111.7	P464 S471	P464-M473 HydrophobicContact CB-CB 4.48Å; P464-M473 HydrophobicContact CB-SD 4.39Å; P464-M473 HydrophobicContact CG-SD 4.4Å; S471-M473 PolarHBondContact O-N 3.14Å
474	F	75.8	Confident	71.6	Confident	34 Å²	34	73.2 Å²	73.2	15%	0.149	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.5	177.3	-63.8	-77.8	0	0	0	112.4	P464 V465 C467 Q472 N476 R479 L480 H483	P464-F474 CarbonylContact C-O 3.54Å; P464-F474 WeakPolarHBondContact CA-O 3.42Å; V465-F474 PolarHBondContact N-O 2.9Å; V465-F474 PolarHBondContact O-N 3.15Å; C467-F474 HydrophobicContact CB-CE2 4.16Å; Q472-F474 HydrophobicContact CB-CE2 3.48Å; Q472-F474 VanDerWaalsContact CB-CE2 3.48Å; Q472-F474 HydrophobicContact CB-CZ 3.54Å; Q472-F474 HydrophobicContact CG-CZ 4.47Å; Q472-F474 WeakPolarHBondContact O-CD2 3.49Å; Q472-F474 VanDerWaalsContact O-CE2 3.23Å; Q472-F474 WeakPolarHBondContact O-CE2 3.12Å; F474-N476 PolarHBondContact O-N 3.03Å; F474-N476 VanDerWaalsContact O-N 3.08Å; F474-R479 HydrophobicContact CB-CB 4.08Å; F474-R479 HydrophobicContact CD1-CB 4.06Å; F474-R479 HydrophobicContact CG-CB 4.4Å; F474-L480 HydrophobicContact CB-CB 4.1Å; F474-L480 HydrophobicContact CD2-CB 4.06Å; F474-L480 HydrophobicContact CD2-CD1 3.76Å; F474-L480 HydrophobicContact CE2-CD1 4.12Å; F474-L480 HydrophobicContact CG-CB 4.24Å; F474-H483 HydrophobicContact CD1-CB 4.38Å; F474-H483 HydrophobicContact CD2-CB 4.5Å; F474-H483 HydrophobicContact CE1-CB 3.76Å; F474-H483 AromaticContact CE1-CG 3.92Å; F474-H483 HydrophobicContact CE2-CB 3.88Å; F474-H483 AromaticContact CE2-CD2 3.34Å; F474-H483 WeakPolarHBondContact CE2-CD2 3.38Å; F474-H483 AromaticContact CE2-CG 3.44Å; F474-H483 VanDerWaalsContact CE2-CG 3.44Å; F474-H483 AromaticContact CE2-ND1 3.9Å; F474-H483 AromaticContact CE2-NE2 3.74Å; F474-H483 HydrophobicContact CZ-CB 3.5Å; F474-H483 AromaticContact CZ-CD2 3.57Å; F474-H483 AromaticContact CZ-CE1 3.73Å; F474-H483 AromaticContact CZ-CG 3.15Å; F474-H483 AromaticContact CZ-ND1 3.29Å; F474-H483 VanDerWaalsContact CZ-ND1 3.29Å; F474-H483 WeakPolarHBondContact CZ-ND1 3.07Å; F474-H483 AromaticContact CZ-NE2 3.9Å
475	S	69	Low	71.9	Confident	50 Å²	50	75 Å²	75	35%	0.35	40%	0.397	S	S	.	.	S	Bend	trans	-69	-7	-176.3	70	0	0	0	0	115	R479	S475-R479 WeakPolarHBondContact OG-CD 3.26Å; S475-R479 PolarHBondContact OG-NH1 3.03Å
476	N	69.9	Low	71.8	Confident	30 Å²	30	75.5 Å²	75.5	16%	0.16	41%	0.406	C	S	.	.	S	Bend	trans	-169	161	172.4	55	10.4	0	0	0	111	T457 F474 T478 R479 L480	T457-N476 PolarHBondContact O-ND2 3.26Å; F474-N476 PolarHBondContact O-N 3.03Å; F474-N476 VanDerWaalsContact O-N 3.08Å; N476-T478 VanDerWaalsContact C-N 3.28Å; N476-T478 PolarHBondContact ND2-OG1 3.16Å; N476-T478 PolarHBondContact O-N 2.66Å; N476-T478 PolarHBondContact OD1-OG1 3.16Å; N476-R479 PolarHBondContact O-N 3.43Å; N476-R479 VanDerWaalsContact O-N 3.08Å; N476-R479 WeakPolarHBondContact OD1-CB 3.48Å; N476-R479 WeakPolarHBondContact OD1-CD 3.46Å; N476-R479 VanDerWaalsContact OD1-CG 3.3Å; N476-R479 WeakPolarHBondContact OD1-CG 3.44Å; N476-R479 PolarHBondContact OD1-N 3.37Å; N476-L480 PolarHBondContact O-N 3.46Å; N476-L480 VanDerWaalsContact O-N 3.17Å
477	S	74.9	Confident	71.4	Confident	83 Å²	83	78.6 Å²	78.6	58%	0.58	41%	0.413	S	S	*	.	H	α-helix	trans	-56.6	-35.1	-179.6	179.2	0	0	0	0	113.5	R479 L480 D481	S477-R479 VanDerWaalsContact C-N 3.34Å; S477-R479 PolarHBondContact O-N 3.08Å; S477-L480 CarbonylContact O-C 3.29Å; S477-L480 PolarHBondContact O-N 3.17Å; S477-D481 WeakPolarHBondContact O-CB 3.47Å; S477-D481 PolarHBondContact O-N 3.31Å
478	T	73.4	Confident	71	Confident	94 Å²	94	79.7 Å²	79.7	58%	0.577	42%	0.418	S	S	*	.	H	α-helix	trans	-68.2	-28.5	177.3	43.2	0	0	0	0	113.9	N476 V482	N476-T478 VanDerWaalsContact C-N 3.28Å; N476-T478 PolarHBondContact ND2-OG1 3.16Å; N476-T478 PolarHBondContact O-N 2.66Å; N476-T478 PolarHBondContact OD1-OG1 3.16Å; T478-V482 WeakPolarHBondContact O-CG2 3.39Å; T478-V482 PolarHBondContact O-N 2.88Å
479	R	70.2	Confident	70.4	Confident	146 Å²	146	76.8 Å²	76.8	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-76.7	-35.6	169.9	-78.7	174.6	172.6	168.7	-2.8	112.2	F474 S475 N476 S477 H483	F474-R479 HydrophobicContact CB-CB 4.08Å; F474-R479 HydrophobicContact CD1-CB 4.06Å; F474-R479 HydrophobicContact CG-CB 4.4Å; S475-R479 WeakPolarHBondContact OG-CD 3.26Å; S475-R479 PolarHBondContact OG-NH1 3.03Å; N476-R479 PolarHBondContact O-N 3.43Å; N476-R479 VanDerWaalsContact O-N 3.08Å; N476-R479 WeakPolarHBondContact OD1-CB 3.48Å; N476-R479 WeakPolarHBondContact OD1-CD 3.46Å; N476-R479 VanDerWaalsContact OD1-CG 3.3Å; N476-R479 WeakPolarHBondContact OD1-CG 3.44Å; N476-R479 PolarHBondContact OD1-N 3.37Å; S477-R479 VanDerWaalsContact C-N 3.34Å; S477-R479 PolarHBondContact O-N 3.08Å; R479-H483 VanDerWaalsContact O-CB 3.29Å; R479-H483 WeakPolarHBondContact O-CB 3.3Å; R479-H483 PolarHBondContact O-N 3.11Å
480	L	77	Confident	69.7	Low	23 Å²	23	78.1 Å²	78.1	12%	0.12	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-44.6	170.6	175	59.2	0	0	0	111	V465 C467 F474 N476 S477 V482 H483 Y484	V465-L480 HydrophobicContact CB-CD2 3.91Å; V465-L480 HydrophobicContact CG1-CD2 3.43Å; V465-L480 VanDerWaalsContact CG1-CD2 3.43Å; C467-L480 HydrophobicContact CB-CD1 3.72Å; F474-L480 HydrophobicContact CB-CB 4.1Å; F474-L480 HydrophobicContact CD2-CB 4.06Å; F474-L480 HydrophobicContact CD2-CD1 3.76Å; F474-L480 HydrophobicContact CE2-CD1 4.12Å; F474-L480 HydrophobicContact CG-CB 4.24Å; N476-L480 PolarHBondContact O-N 3.46Å; N476-L480 VanDerWaalsContact O-N 3.17Å; S477-L480 CarbonylContact O-C 3.29Å; S477-L480 PolarHBondContact O-N 3.17Å; L480-V482 PolarHBondContact O-N 2.74Å; L480-H483 CarbonylContact O-C 3.58Å; L480-H483 WeakPolarHBondContact O-CB 3.45Å; L480-H483 PolarHBondContact O-N 3.1Å; L480-Y484 VanDerWaalsContact O-CB 3.24Å; L480-Y484 WeakPolarHBondContact O-CB 3.35Å; L480-Y484 PolarHBondContact O-N 2.97Å
481	D	72.5	Confident	68.7	Low	64 Å²	64	85.7 Å²	85.7	34%	0.342	44%	0.44	S	S	.	.	H	α-helix	trans	-60.1	-46.5	178	176.5	59.3	0	0	0	112.4	S477 H483 Y484 K485	S477-D481 WeakPolarHBondContact O-CB 3.47Å; S477-D481 PolarHBondContact O-N 3.31Å; D481-H483 VanDerWaalsContact C-N 3.33Å; D481-H483 PolarHBondContact O-N 3.28Å; D481-Y484 PolarHBondContact O-N 3.29Å; D481-K485 VanDerWaalsContact O-CB 3.31Å; D481-K485 WeakPolarHBondContact O-CB 3.35Å; D481-K485 WeakPolarHBondContact O-CG 3.35Å; D481-K485 PolarHBondContact O-N 3.23Å; D481-K485 WeakPolarHBondContact OD1-CD 3.41Å; D481-K485 WeakPolarHBondContact OD1-CE 3.48Å; D481-K485 IonicContact OD1-NZ 3.5Å; D481-K485 PolarHBondContact OD1-NZ 2.74Å; D481-K485 IonicContact OD2-NZ 2.74Å; D481-K485 PolarHBondContact OD2-NZ 2.95Å
482	V	72.3	Confident	67.7	Low	94 Å²	94	85 Å²	85	57%	0.57	44%	0.444	S	S	*	.	H	α-helix	trans	-63.5	-38.8	174.8	170.3	0	0	0	0	111.7	T478 L480 A486	T478-V482 WeakPolarHBondContact O-CG2 3.39Å; T478-V482 PolarHBondContact O-N 2.88Å; L480-V482 PolarHBondContact O-N 2.74Å; V482-A486 VanDerWaalsContact O-CB 3.24Å; V482-A486 WeakPolarHBondContact O-CB 3.43Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-A486 VanDerWaalsContact O-N 3.17Å
483	H	74.8	Confident	66.6	Low	19 Å²	19	86.5 Å²	86.5	9%	0.088	45%	0.451	C	S	.	.	H	α-helix	trans	-66.1	-47.6	174.6	163	82.7	0	0	0	112	C467 C470 F474 R479 L480 D481 K485 A486 R487 H488	C467-H483 PolarHBondContact SG-NE2 3.35Å; C467-H483 VanDerWaalsContact SG-NE2 3.41Å; C470-H483 PolarHBondContact SG-CE1 2.96Å; C470-H483 PolarHBondContact SG-NE2 3.37Å; F474-H483 HydrophobicContact CD1-CB 4.38Å; F474-H483 HydrophobicContact CD2-CB 4.5Å; F474-H483 HydrophobicContact CE1-CB 3.76Å; F474-H483 AromaticContact CE1-CG 3.92Å; F474-H483 HydrophobicContact CE2-CB 3.88Å; F474-H483 AromaticContact CE2-CD2 3.34Å; F474-H483 WeakPolarHBondContact CE2-CD2 3.38Å; F474-H483 AromaticContact CE2-CG 3.44Å; F474-H483 VanDerWaalsContact CE2-CG 3.44Å; F474-H483 AromaticContact CE2-ND1 3.9Å; F474-H483 AromaticContact CE2-NE2 3.74Å; F474-H483 HydrophobicContact CZ-CB 3.5Å; F474-H483 AromaticContact CZ-CD2 3.57Å; F474-H483 AromaticContact CZ-CE1 3.73Å; F474-H483 AromaticContact CZ-CG 3.15Å; F474-H483 AromaticContact CZ-ND1 3.29Å; F474-H483 VanDerWaalsContact CZ-ND1 3.29Å; F474-H483 WeakPolarHBondContact CZ-ND1 3.07Å; F474-H483 AromaticContact CZ-NE2 3.9Å; R479-H483 VanDerWaalsContact O-CB 3.29Å; R479-H483 WeakPolarHBondContact O-CB 3.3Å; R479-H483 PolarHBondContact O-N 3.11Å; L480-H483 CarbonylContact O-C 3.58Å; L480-H483 WeakPolarHBondContact O-CB 3.45Å; L480-H483 PolarHBondContact O-N 3.1Å; D481-H483 VanDerWaalsContact C-N 3.33Å; D481-H483 PolarHBondContact O-N 3.28Å; H483-K485 PolarHBondContact O-N 2.77Å; H483-A486 CarbonylContact O-C 3.6Å; H483-A486 WeakPolarHBondContact O-CA 3.15Å; H483-A486 PolarHBondContact O-N 3.34Å; H483-R487 WeakPolarHBondContact O-CB 3.17Å; H483-R487 PolarHBondContact O-N 3.05Å; H483-H488 AromaticContact NE2-CD2 3.46Å; H483-H488 PolarHBondContact NE2-CD2 2.75Å; H483-H488 AromaticContact NE2-NE2 3.52Å
484	Y	72.5	Confident	66.2	Low	90 Å²	90	86.4 Å²	86.4	35%	0.353	45%	0.449	S	S	.	.	H	α-helix	trans	-60.7	-47.3	-179.9	-166.5	-91.4	0	0	0	109.8	P468 E469 L480 D481 A486 R487 H488 A489	P468-Y484 HydrophobicContact CG-CE2 4.37Å; E469-Y484 WeakPolarHBondContact OE1-CE2 3.3Å; E469-Y484 PolarHBondContact OE1-OH 3.14Å; L480-Y484 VanDerWaalsContact O-CB 3.24Å; L480-Y484 WeakPolarHBondContact O-CB 3.35Å; L480-Y484 PolarHBondContact O-N 2.97Å; D481-Y484 PolarHBondContact O-N 3.29Å; Y484-A486 PolarHBondContact O-N 3.12Å; Y484-A486 VanDerWaalsContact O-N 3.14Å; Y484-R487 PolarHBondContact O-N 2.75Å; Y484-H488 HydrophobicContact CD1-CB 4.34Å; Y484-H488 HydrophobicContact CD2-CB 3.59Å; Y484-H488 HydrophobicContact CE1-CB 4.43Å; Y484-H488 HydrophobicContact CE2-CB 3.71Å; Y484-H488 HydrophobicContact CG-CB 3.93Å; Y484-H488 CarbonylContact O-C 3.48Å; Y484-H488 WeakPolarHBondContact O-CA 3.44Å; Y484-H488 PolarHBondContact O-N 3.36Å; Y484-A489 PolarHBondContact O-N 2.88Å
485	K	70.4	Confident	65.7	Low	119 Å²	119	87.7 Å²	87.7	52%	0.517	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-20.9	172	-73.6	166.9	176.8	157.5	0	114.5	D481 H483	D481-K485 VanDerWaalsContact O-CB 3.31Å; D481-K485 WeakPolarHBondContact O-CB 3.35Å; D481-K485 WeakPolarHBondContact O-CG 3.35Å; D481-K485 PolarHBondContact O-N 3.23Å; D481-K485 WeakPolarHBondContact OD1-CD 3.41Å; D481-K485 WeakPolarHBondContact OD1-CE 3.48Å; D481-K485 IonicContact OD1-NZ 3.5Å; D481-K485 PolarHBondContact OD1-NZ 2.74Å; D481-K485 IonicContact OD2-NZ 2.74Å; D481-K485 PolarHBondContact OD2-NZ 2.95Å; H483-K485 PolarHBondContact O-N 2.77Å
486	A	64	Low	65.7	Low	59 Å²	59	89.3 Å²	89.3	49%	0.488	46%	0.464	S	S	.	.	H	α-helix	trans	-101.9	-12.6	179.5	0	0	0	0	0	115.2	V482 H483 Y484 A505	V482-A486 VanDerWaalsContact O-CB 3.24Å; V482-A486 WeakPolarHBondContact O-CB 3.43Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-A486 VanDerWaalsContact O-N 3.17Å; H483-A486 CarbonylContact O-C 3.6Å; H483-A486 WeakPolarHBondContact O-CA 3.15Å; H483-A486 PolarHBondContact O-N 3.34Å; Y484-A486 PolarHBondContact O-N 3.12Å; Y484-A486 VanDerWaalsContact O-N 3.14Å; A486-A505 HydrophobicContact CB-CB 4Å
487	R	63	Low	65.8	Low	176 Å²	176	88.4 Å²	88.4	66%	0.664	46%	0.46	S	S	*	.	H	α-helix	trans	-131.8	-27.4	-174.2	-75.2	-76.7	173.2	84.1	-2.7	115.1	H483 Y484	H483-R487 WeakPolarHBondContact O-CB 3.17Å; H483-R487 PolarHBondContact O-N 3.05Å; Y484-R487 PolarHBondContact O-N 2.75Å
488	H	67.5	Low	65.5	Low	23 Å²	23	89.3 Å²	89.3	11%	0.106	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-8.8	-165	-65.1	-64.4	0	0	0	113.9	C467 E469 C470 H483 Y484 T490	C467-H488 PolarHBondContact SG-CD2 3.35Å; E469-H488 WeakPolarHBondContact CB-CE1 3.37Å; E469-H488 WeakPolarHBondContact CB-ND1 3.17Å; E469-H488 VanDerWaalsContact CD-ND1 3.35Å; E469-H488 IonicContact OE2-CE1 3.86Å; E469-H488 IonicContact OE2-CG 2.61Å; E469-H488 IonicContact OE2-ND1 3Å; E469-H488 PolarHBondContact OE2-ND1 2.82Å; C470-H488 PolarHBondContact SG-NE2 3.17Å; H483-H488 AromaticContact NE2-CD2 3.46Å; H483-H488 PolarHBondContact NE2-CD2 2.75Å; H483-H488 AromaticContact NE2-NE2 3.52Å; Y484-H488 HydrophobicContact CD1-CB 4.34Å; Y484-H488 HydrophobicContact CD2-CB 3.59Å; Y484-H488 HydrophobicContact CE1-CB 4.43Å; Y484-H488 HydrophobicContact CE2-CB 3.71Å; Y484-H488 HydrophobicContact CG-CB 3.93Å; Y484-H488 CarbonylContact O-C 3.48Å; Y484-H488 WeakPolarHBondContact O-CA 3.44Å; Y484-H488 PolarHBondContact O-N 3.36Å; H488-T490 PolarHBondContact O-N 2.81Å
489	A	60.5	Low	64.7	Low	44 Å²	44	88.9 Å²	88.9	36%	0.364	45%	0.452	S	S	.	.			trans	-63.1	105.1	171.9	0	0	0	0	0	111.4	Y484 R491	Y484-A489 PolarHBondContact O-N 2.88Å; A489-R491 PolarHBondContact O-N 3.42Å
490	T	52.5	Low	64.7	Low	130 Å²	130	83.3 Å²	83.3	80%	0.798	44%	0.435	S	S	*	.	S	Bend	trans	-69.9	48.5	171	43.8	0	0	0	0	112.6	H488	H488-T490 PolarHBondContact O-N 2.81Å
491	R	50	Low	64.2	Low	210 Å²	210	88.7 Å²	88.7	79%	0.792	46%	0.463	S	S	*	.	S	Bend	trans	-159.4	102	169.6	-98.6	142.6	-172.1	-170.7	2.2	107.3	A489	A489-R491 PolarHBondContact O-N 3.42Å
492	G	47.2	Very low	64	Low	59 Å²	59	91.6 Å²	91.6	61%	0.608	47%	0.473	S	S	*	.			trans	-62.4	146.5	-157.2	0	0	0	0	0	116.2	Q494	G492-Q494 VanDerWaalsContact C-N 3.34Å; G492-Q494 WeakPolarHBondContact O-CG 3.36Å; G492-Q494 PolarHBondContact O-N 2.97Å
493	H	50.5	Low	63.7	Low	138 Å²	138	89.2 Å²	89.2	64%	0.639	46%	0.461	S	S	*	.			trans	42	48.2	137.1	-68.2	-20.7	0	0	0	117.6	F495 S503	H493-F495 PolarHBondContact O-N 2.9Å; H493-S503 VanDerWaalsContact CB-CB 3.49Å; H493-S503 PolarHBondContact CD2-OG 3.08Å; H493-S503 PolarHBondContact CE1-OG 3.22Å; H493-S503 VanDerWaalsContact CG-OG 3.25Å; H493-S503 PolarHBondContact ND1-OG 3.27Å; H493-S503 VanDerWaalsContact ND1-OG 3.15Å; H493-S503 PolarHBondContact NE2-OG 3.45Å
494	Q	62.1	Low	63.8	Low	130 Å²	130	90.3 Å²	90.3	61%	0.607	47%	0.465	S	S	*	.	S	Bend	trans	-62.4	-14.2	-165.3	-60.9	-179.2	10.1	0	0	115.9	G492	G492-Q494 VanDerWaalsContact C-N 3.34Å; G492-Q494 WeakPolarHBondContact O-CG 3.36Å; G492-Q494 PolarHBondContact O-N 2.97Å
495	F	65.1	Low	63.5	Low	60 Å²	60	88.1 Å²	88.1	26%	0.263	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	81	177.6	-59.6	-74.5	0	0	0	111.4	H493 F504 K507 L510	H493-F495 PolarHBondContact O-N 2.9Å; F495-F504 HydrophobicContact CB-CB 4.25Å; F495-F504 WeakPolarHBondContact CB-O 3.43Å; F495-F504 PolarHBondContact N-O 3.44Å; F495-F504 VanDerWaalsContact N-O 3.14Å; F495-F504 PolarHBondContact O-N 3.17Å; F495-K507 HydrophobicContact CD1-CB 4.1Å; F495-K507 HydrophobicContact CD1-CG 4.23Å; F495-K507 HydrophobicContact CD2-CB 4.4Å; F495-K507 HydrophobicContact CE1-CB 3.83Å; F495-K507 HydrophobicContact CE1-CD 4.24Å; F495-K507 HydrophobicContact CE1-CG 4.03Å; F495-K507 HydrophobicContact CE2-CB 4.15Å; F495-K507 HydrophobicContact CG-CB 4.39Å; F495-K507 HydrophobicContact CZ-CB 3.86Å; F495-L510 HydrophobicContact CB-CB 3.89Å; F495-L510 HydrophobicContact CB-CD2 3.78Å; F495-L510 HydrophobicContact CB-CG 4.42Å; F495-L510 HydrophobicContact CD1-CD2 4.5Å
496	P	69.7	Low	63.6	Low	85 Å²	85	86.1 Å²	86.1	55%	0.552	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.3	173	29.9	-33.9	0	0	0	111.9
497	C	72.7	Confident	64	Low	11 Å²	11	89.7 Å²	89.7	7%	0.074	47%	0.468	C	S	.	.			trans	-65.7	129.1	165.8	169.2	0	0	0	0	110.6	F499 C500 K502 L510 H513 H517	C497-F499 VanDerWaalsContact C-N 3.32Å; C497-C500 HydrophobicContact CB-CB 4.35Å; C497-C500 WeakPolarHBondContact CB-O 3.31Å; C497-C500 WeakPolarHBondContact CB-SG 3.17Å; C497-C500 VanDerWaalsContact SG-CA 3.53Å; C497-C500 WeakPolarHBondContact SG-CB 3.45Å; C497-C500 PolarHBondContact SG-N 3Å; C497-C500 PolarHBondContact SG-O 3.43Å; C497-C500 VanDerWaalsContact SG-O 3.38Å; C497-C500 CovalentContact SG-SG 2.06Å; C497-C500 PolarHBondContact SG-SG 3.41Å; C497-K502 HydrophobicContact CB-CB 4.32Å; C497-K502 WeakPolarHBondContact CB-O 3.29Å; C497-K502 PolarHBondContact N-O 3.05Å; C497-L510 HydrophobicContact CB-CD1 4.32Å; C497-H513 PolarHBondContact SG-NE2 3.36Å; C497-H513 VanDerWaalsContact SG-NE2 3.42Å; C497-H517 PolarHBondContact SG-NE2 3.03Å
498	T	67.3	Low	64.6	Low	102 Å²	102	86.5 Å²	86.5	63%	0.626	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.2	177.2	54.4	0	0	0	0	113.7	M514	T498-M514 WeakPolarHBondContact OG1-CE 3.17Å
499	F	57.2	Low	65	Low	84 Å²	84	87.2 Å²	87.2	37%	0.368	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	0.9	-179.1	-57.7	-56.5	0	0	0	113.2	C497 M514 H517 R528	C497-F499 VanDerWaalsContact C-N 3.32Å; F499-M514 HydrophobicContact CD2-CE 3.74Å; F499-M514 HydrophobicContact CD2-SD 4.29Å; F499-M514 HydrophobicContact CE2-CE 3.5Å; F499-M514 VanDerWaalsContact CE2-CE 3.5Å; F499-H517 HydrophobicContact CB-CB 4.24Å; F499-H517 HydrophobicContact CD2-CB 3.68Å; F499-H517 AromaticContact CD2-CG 3.84Å; F499-H517 HydrophobicContact CE2-CB 4.5Å; F499-H517 HydrophobicContact CG-CB 4.25Å; F499-R528 VanDerWaalsContact CE1-NH1 3.29Å
500	C	69.4	Low	65.7	Low	30 Å²	30	86.5 Å²	86.5	20%	0.203	46%	0.464	C	S	.	.	S	Bend	trans	-171	160.6	-170	71.8	0	0	0	0	113.1	C497 K502 H513 H517	C497-C500 HydrophobicContact CB-CB 4.35Å; C497-C500 WeakPolarHBondContact CB-O 3.31Å; C497-C500 WeakPolarHBondContact CB-SG 3.17Å; C497-C500 VanDerWaalsContact SG-CA 3.53Å; C497-C500 WeakPolarHBondContact SG-CB 3.45Å; C497-C500 PolarHBondContact SG-N 3Å; C497-C500 PolarHBondContact SG-O 3.43Å; C497-C500 VanDerWaalsContact SG-O 3.38Å; C497-C500 CovalentContact SG-SG 2.06Å; C497-C500 PolarHBondContact SG-SG 3.41Å; C500-K502 PolarHBondContact O-N 3.25Å; C500-H513 PolarHBondContact SG-NE2 3.12Å; C500-H517 PolarHBondContact SG-CE1 2.94Å; C500-H517 PolarHBondContact SG-NE2 3.05Å
501	L	66.3	Low	66.8	Low	135 Å²	135	84.2 Å²	84.2	71%	0.707	45%	0.45	S	S	*	.	S	Bend	trans	-78	26.6	-179.7	-55.4	176.3	0	0	0	114.6
502	K	69	Low	68	Low	126 Å²	126	81.4 Å²	81.4	55%	0.548	44%	0.443	S	S	.	.			trans	-95.2	115.7	179	-66.1	-174.4	176.7	-179.7	0	111.1	C497 C500 F504	C497-K502 HydrophobicContact CB-CB 4.32Å; C497-K502 WeakPolarHBondContact CB-O 3.29Å; C497-K502 PolarHBondContact N-O 3.05Å; C500-K502 PolarHBondContact O-N 3.25Å; K502-F504 HydrophobicContact CB-CE2 3.71Å; K502-F504 HydrophobicContact CB-CZ 3.95Å; K502-F504 VanDerWaalsContact O-CE2 3.32Å; K502-F504 WeakPolarHBondContact O-CE2 3.43Å
503	S	66.6	Low	69.4	Low	44 Å²	44	79.6 Å²	79.6	31%	0.308	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	147.8	173.1	49.5	0	0	0	0	112	H493	H493-S503 VanDerWaalsContact CB-CB 3.49Å; H493-S503 PolarHBondContact CD2-OG 3.08Å; H493-S503 PolarHBondContact CE1-OG 3.22Å; H493-S503 VanDerWaalsContact CG-OG 3.25Å; H493-S503 PolarHBondContact ND1-OG 3.27Å; H493-S503 VanDerWaalsContact ND1-OG 3.15Å; H493-S503 PolarHBondContact NE2-OG 3.45Å
504	F	75.6	Confident	70.3	Confident	42 Å²	42	75.6 Å²	75.6	18%	0.184	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.1	178	-62.6	-89.8	0	0	0	110.6	F495 K502 V506 A509 L510 H513	F495-F504 HydrophobicContact CB-CB 4.25Å; F495-F504 WeakPolarHBondContact CB-O 3.43Å; F495-F504 PolarHBondContact N-O 3.44Å; F495-F504 VanDerWaalsContact N-O 3.14Å; F495-F504 PolarHBondContact O-N 3.17Å; K502-F504 HydrophobicContact CB-CE2 3.71Å; K502-F504 HydrophobicContact CB-CZ 3.95Å; K502-F504 VanDerWaalsContact O-CE2 3.32Å; K502-F504 WeakPolarHBondContact O-CE2 3.43Å; F504-V506 VanDerWaalsContact C-N 3.3Å; F504-A509 HydrophobicContact CB-CB 4.23Å; F504-A509 HydrophobicContact CD1-CB 3.71Å; F504-A509 HydrophobicContact CG-CB 4.31Å; F504-L510 HydrophobicContact CB-CB 4.12Å; F504-L510 HydrophobicContact CD2-CB 4.07Å; F504-L510 HydrophobicContact CD2-CD1 3.92Å; F504-L510 HydrophobicContact CE2-CD1 4.31Å; F504-L510 HydrophobicContact CG-CB 4.2Å; F504-H513 HydrophobicContact CE1-CB 3.91Å; F504-H513 HydrophobicContact CE2-CB 3.84Å; F504-H513 AromaticContact CE2-CD2 3.14Å; F504-H513 WeakPolarHBondContact CE2-CD2 3.03Å; F504-H513 AromaticContact CE2-CG 3.56Å; F504-H513 AromaticContact CE2-NE2 3.93Å; F504-H513 HydrophobicContact CZ-CB 3.44Å; F504-H513 VanDerWaalsContact CZ-CB 3.44Å; F504-H513 AromaticContact CZ-CD2 3.32Å; F504-H513 WeakPolarHBondContact CZ-CD2 3.19Å; F504-H513 AromaticContact CZ-CG 3.24Å; F504-H513 AromaticContact CZ-ND1 3.94Å
505	A	67.8	Low	70.6	Confident	43 Å²	43	73 Å²	73	36%	0.355	39%	0.391	S	S	.	.	S	Bend	trans	-79.6	-11.8	176.5	0	0	0	0	0	113.4	A486	A486-A505 HydrophobicContact CB-CB 4Å
506	V	71.8	Confident	70.6	Confident	78 Å²	78	74.1 Å²	74.1	47%	0.473	41%	0.406	S	S	.	.	S	Bend	trans	-140.7	134.4	-175.8	-172.6	0	0	0	0	110.1	F504 D508 A509 L510	F504-V506 VanDerWaalsContact C-N 3.3Å; V506-D508 VanDerWaalsContact C-N 3.27Å; V506-D508 HydrophobicContact CG1-CB 4.28Å; V506-D508 PolarHBondContact O-N 2.89Å; V506-A509 HydrophobicContact CB-CB 4.48Å; V506-A509 WeakPolarHBondContact O-CB 3.37Å; V506-A509 PolarHBondContact O-N 3.24Å; V506-L510 PolarHBondContact O-N 3.22Å
507	K	71.8	Confident	70.4	Confident	134 Å²	134	72 Å²	72	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-54	-38.6	-179.9	-169	174.5	-179.8	176.5	0	113.4	F495 A509 L510 T511	F495-K507 HydrophobicContact CD1-CB 4.1Å; F495-K507 HydrophobicContact CD1-CG 4.23Å; F495-K507 HydrophobicContact CD2-CB 4.4Å; F495-K507 HydrophobicContact CE1-CB 3.83Å; F495-K507 HydrophobicContact CE1-CD 4.24Å; F495-K507 HydrophobicContact CE1-CG 4.03Å; F495-K507 HydrophobicContact CE2-CB 4.15Å; F495-K507 HydrophobicContact CG-CB 4.39Å; F495-K507 HydrophobicContact CZ-CB 3.86Å; K507-A509 VanDerWaalsContact C-N 3.31Å; K507-A509 PolarHBondContact O-N 3.34Å; K507-L510 PolarHBondContact O-N 3.17Å; K507-T511 PolarHBondContact O-N 2.9Å; K507-T511 PolarHBondContact O-OG1 3.35Å
508	D	76.7	Confident	69.9	Low	108 Å²	108	71.6 Å²	71.6	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-63.4	-34.1	175.7	-78.4	17.3	0	0	0	113.5	V506 T511 K512	V506-D508 VanDerWaalsContact C-N 3.27Å; V506-D508 HydrophobicContact CG1-CB 4.28Å; V506-D508 PolarHBondContact O-N 2.89Å; D508-T511 PolarHBondContact O-N 2.85Å; D508-K512 WeakPolarHBondContact O-CB 3.39Å; D508-K512 WeakPolarHBondContact O-CG 2.96Å; D508-K512 PolarHBondContact O-N 3.16Å
509	A	75.4	Confident	69.9	Low	39 Å²	39	72.5 Å²	72.5	32%	0.322	38%	0.383	S	S	.	.	H	α-helix	trans	-73.6	-39.4	177.5	0	0	0	0	0	110.7	F504 V506 K507 H513	F504-A509 HydrophobicContact CB-CB 4.23Å; F504-A509 HydrophobicContact CD1-CB 3.71Å; F504-A509 HydrophobicContact CG-CB 4.31Å; V506-A509 HydrophobicContact CB-CB 4.48Å; V506-A509 WeakPolarHBondContact O-CB 3.37Å; V506-A509 PolarHBondContact O-N 3.24Å; K507-A509 VanDerWaalsContact C-N 3.31Å; K507-A509 PolarHBondContact O-N 3.34Å; A509-H513 VanDerWaalsContact O-CB 3.27Å; A509-H513 WeakPolarHBondContact O-CB 3.44Å; A509-H513 PolarHBondContact O-N 2.81Å
510	L	75.9	Confident	70.2	Confident	29 Å²	29	70.9 Å²	70.9	15%	0.152	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-49.8	167	175.5	62.1	0	0	0	110.6	F495 C497 F504 V506 K507 K512 H513 M514	F495-L510 HydrophobicContact CB-CB 3.89Å; F495-L510 HydrophobicContact CB-CD2 3.78Å; F495-L510 HydrophobicContact CB-CG 4.42Å; F495-L510 HydrophobicContact CD1-CD2 4.5Å; C497-L510 HydrophobicContact CB-CD1 4.32Å; F504-L510 HydrophobicContact CB-CB 4.12Å; F504-L510 HydrophobicContact CD2-CB 4.07Å; F504-L510 HydrophobicContact CD2-CD1 3.92Å; F504-L510 HydrophobicContact CE2-CD1 4.31Å; F504-L510 HydrophobicContact CG-CB 4.2Å; V506-L510 PolarHBondContact O-N 3.22Å; K507-L510 PolarHBondContact O-N 3.17Å; L510-K512 PolarHBondContact O-N 2.96Å; L510-H513 CarbonylContact O-C 3.57Å; L510-H513 WeakPolarHBondContact O-CA 3.4Å; L510-H513 WeakPolarHBondContact O-CB 3.45Å; L510-H513 PolarHBondContact O-N 2.69Å; L510-M514 HydrophobicContact CD1-CG 3.91Å; L510-M514 HydrophobicContact CD1-SD 3.82Å; L510-M514 HydrophobicContact CG-CG 4.09Å; L510-M514 WeakPolarHBondContact O-CG 3.43Å; L510-M514 PolarHBondContact O-N 3.01Å
511	T	74.1	Confident	70.2	Confident	82 Å²	82	76.8 Å²	76.8	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-58.4	-45.2	-177.9	-57.3	0	0	0	0	112	K507 D508 H513 M514	K507-T511 PolarHBondContact O-N 2.9Å; K507-T511 PolarHBondContact O-OG1 3.35Å; D508-T511 PolarHBondContact O-N 2.85Å; T511-H513 VanDerWaalsContact C-N 3.26Å; T511-H513 PolarHBondContact O-N 2.62Å; T511-M514 PolarHBondContact O-N 2.73Å
512	K	75.4	Confident	70.8	Confident	150 Å²	150	70.3 Å²	70.3	65%	0.652	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-32.9	172.9	-73.8	169.5	-177.9	169.3	0	112.4	D508 L510 L515	D508-K512 WeakPolarHBondContact O-CB 3.39Å; D508-K512 WeakPolarHBondContact O-CG 2.96Å; D508-K512 PolarHBondContact O-N 3.16Å; L510-K512 PolarHBondContact O-N 2.96Å; K512-L515 WeakPolarHBondContact O-CB 3.19Å
513	H	76.2	Confident	71	Confident	22 Å²	22	69.2 Å²	69.2	10%	0.102	36%	0.359	C	S	.	.	H	α-helix	trans	-75.1	-32.4	175.5	176.7	54.6	0	0	0	113.4	C497 C500 F504 A509 L510 T511 L515 S516 H517	C497-H513 PolarHBondContact SG-NE2 3.36Å; C497-H513 VanDerWaalsContact SG-NE2 3.42Å; C500-H513 PolarHBondContact SG-NE2 3.12Å; F504-H513 HydrophobicContact CE1-CB 3.91Å; F504-H513 HydrophobicContact CE2-CB 3.84Å; F504-H513 AromaticContact CE2-CD2 3.14Å; F504-H513 WeakPolarHBondContact CE2-CD2 3.03Å; F504-H513 AromaticContact CE2-CG 3.56Å; F504-H513 AromaticContact CE2-NE2 3.93Å; F504-H513 HydrophobicContact CZ-CB 3.44Å; F504-H513 VanDerWaalsContact CZ-CB 3.44Å; F504-H513 AromaticContact CZ-CD2 3.32Å; F504-H513 WeakPolarHBondContact CZ-CD2 3.19Å; F504-H513 AromaticContact CZ-CG 3.24Å; F504-H513 AromaticContact CZ-ND1 3.94Å; A509-H513 VanDerWaalsContact O-CB 3.27Å; A509-H513 WeakPolarHBondContact O-CB 3.44Å; A509-H513 PolarHBondContact O-N 2.81Å; L510-H513 CarbonylContact O-C 3.57Å; L510-H513 WeakPolarHBondContact O-CA 3.4Å; L510-H513 WeakPolarHBondContact O-CB 3.45Å; L510-H513 PolarHBondContact O-N 2.69Å; T511-H513 VanDerWaalsContact C-N 3.26Å; T511-H513 PolarHBondContact O-N 2.62Å; H513-L515 PolarHBondContact O-N 2.85Å; H513-S516 PolarHBondContact CE1-OG 3.26Å; H513-S516 VanDerWaalsContact CE1-OG 3.29Å; H513-S516 PolarHBondContact ND1-OG 3.15Å; H513-S516 WeakPolarHBondContact O-CA 3.49Å; H513-S516 WeakPolarHBondContact O-CB 3.48Å; H513-S516 PolarHBondContact O-N 3.02Å; H513-S516 PolarHBondContact O-OG 2.77Å; H513-H517 AromaticContact CD2-NE2 3.76Å; H513-H517 AromaticContact CE1-CD2 3.95Å; H513-H517 AromaticContact CE1-NE2 3.2Å; H513-H517 PolarHBondContact CE1-NE2 2.85Å; H513-H517 AromaticContact NE2-CD2 3.68Å; H513-H517 AromaticContact NE2-CE1 3.94Å; H513-H517 AromaticContact NE2-NE2 2.9Å; H513-H517 PolarHBondContact NE2-NE2 3.19Å
514	M	69.8	Low	71.2	Confident	53 Å²	53	72.2 Å²	72.2	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-27.7	176.1	-65.8	-58.4	-88.6	0	0	112.3	T498 F499 L510 T511 S516 H517	T498-M514 WeakPolarHBondContact OG1-CE 3.17Å; F499-M514 HydrophobicContact CD2-CE 3.74Å; F499-M514 HydrophobicContact CD2-SD 4.29Å; F499-M514 HydrophobicContact CE2-CE 3.5Å; F499-M514 VanDerWaalsContact CE2-CE 3.5Å; L510-M514 HydrophobicContact CD1-CG 3.91Å; L510-M514 HydrophobicContact CD1-SD 3.82Å; L510-M514 HydrophobicContact CG-CG 4.09Å; L510-M514 WeakPolarHBondContact O-CG 3.43Å; L510-M514 PolarHBondContact O-N 3.01Å; T511-M514 PolarHBondContact O-N 2.73Å; M514-S516 PolarHBondContact O-N 3.22Å; M514-H517 PolarHBondContact O-N 3.26Å
515	L	67.9	Low	71.1	Confident	76 Å²	76	72.8 Å²	72.8	40%	0.398	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-58.8	-34	168.6	-60.4	171.8	0	0	0	112.4	K512 H513 H517 G518	K512-L515 WeakPolarHBondContact O-CB 3.19Å; H513-L515 PolarHBondContact O-N 2.85Å; L515-H517 VanDerWaalsContact C-N 3.31Å; L515-H517 PolarHBondContact O-N 3.21Å; L515-G518 PolarHBondContact O-N 2.8Å; L515-G518 VanDerWaalsContact O-N 3.07Å
516	S	66.8	Low	71.3	Confident	83 Å²	83	72 Å²	72	58%	0.58	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-75.1	-14.4	178.6	72.2	0	0	0	0	114.5	H513 M514 G518	H513-S516 PolarHBondContact CE1-OG 3.26Å; H513-S516 VanDerWaalsContact CE1-OG 3.29Å; H513-S516 PolarHBondContact ND1-OG 3.15Å; H513-S516 WeakPolarHBondContact O-CA 3.49Å; H513-S516 WeakPolarHBondContact O-CB 3.48Å; H513-S516 PolarHBondContact O-N 3.02Å; H513-S516 PolarHBondContact O-OG 2.77Å; M514-S516 PolarHBondContact O-N 3.22Å; S516-G518 VanDerWaalsContact C-N 3.28Å
517	H	63.8	Low	71.4	Confident	41 Å²	41	74.2 Å²	74.2	19%	0.19	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-87.1	-1.6	167	-68	-64.2	0	0	0	113.4	C497 F499 C500 H513 M514 L515 R528	C497-H517 PolarHBondContact SG-NE2 3.03Å; F499-H517 HydrophobicContact CB-CB 4.24Å; F499-H517 HydrophobicContact CD2-CB 3.68Å; F499-H517 AromaticContact CD2-CG 3.84Å; F499-H517 HydrophobicContact CE2-CB 4.5Å; F499-H517 HydrophobicContact CG-CB 4.25Å; C500-H517 PolarHBondContact SG-CE1 2.94Å; C500-H517 PolarHBondContact SG-NE2 3.05Å; H513-H517 AromaticContact CD2-NE2 3.76Å; H513-H517 AromaticContact CE1-CD2 3.95Å; H513-H517 AromaticContact CE1-NE2 3.2Å; H513-H517 PolarHBondContact CE1-NE2 2.85Å; H513-H517 AromaticContact NE2-CD2 3.68Å; H513-H517 AromaticContact NE2-CE1 3.94Å; H513-H517 AromaticContact NE2-NE2 2.9Å; H513-H517 PolarHBondContact NE2-NE2 3.19Å; M514-H517 PolarHBondContact O-N 3.26Å; L515-H517 VanDerWaalsContact C-N 3.31Å; L515-H517 PolarHBondContact O-N 3.21Å; H517-R528 WeakPolarHBondContact O-CB 3.07Å; H517-R528 VanDerWaalsContact O-CD 3.31Å; H517-R528 WeakPolarHBondContact O-CD 3.44Å; H517-R528 PolarHBondContact O-NE 3.36Å
518	G	62.3	Low	71.7	Confident	2 Å²	2	72.5 Å²	72.5	2%	0.021	37%	0.366	C	S	.	.			trans	71.2	110.1	-169.8	0	0	0	0	0	112.5	L515 S516 W520 R528 F529	L515-G518 PolarHBondContact O-N 2.8Å; L515-G518 VanDerWaalsContact O-N 3.07Å; S516-G518 VanDerWaalsContact C-N 3.28Å; G518-W520 PolarHBondContact O-N 2.83Å; G518-R528 PolarHBondContact O-NE 3.21Å; G518-R528 VanDerWaalsContact O-NE 3.08Å; G518-R528 PolarHBondContact O-NH2 2.89Å; G518-F529 CarbonylContact C-O 3.3Å; G518-F529 WeakPolarHBondContact CA-O 3.3Å
519	Q	67.3	Low	71.6	Confident	121 Å²	121	69.4 Å²	69.4	57%	0.565	35%	0.348	S	S	*	.	S	Bend	trans	-65.4	-27.2	166.7	176.4	174.3	-3.9	0	0	111.3	F529	Q519-F529 PolarHBondContact N-O 3.11Å
520	W	63.3	Low	71.4	Confident	51 Å²	51	70.4 Å²	70.4	19%	0.193	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	101.5	-168.6	-52.6	91.7	0	0	0	110.1	G518 R528 F529 E532 L535	G518-W520 PolarHBondContact O-N 2.83Å; W520-R528 CarbonylContact O-C 3.57Å; W520-R528 WeakPolarHBondContact O-CA 3.5Å; W520-F529 HydrophobicContact CB-CB 4.33Å; W520-F529 WeakPolarHBondContact CB-O 3.3Å; W520-F529 VanDerWaalsContact CD1-O 3.26Å; W520-F529 PolarHBondContact N-O 3.49Å; W520-F529 VanDerWaalsContact N-O 3.09Å; W520-F529 PolarHBondContact O-N 3.03Å; W520-E532 HydrophobicContact CD2-CB 4.04Å; W520-E532 HydrophobicContact CE3-CB 4.04Å; W520-E532 HydrophobicContact CE3-CG 4.18Å; W520-E532 HydrophobicContact CH2-CB 4.01Å; W520-E532 HydrophobicContact CH2-CG 4.39Å; W520-E532 WeakPolarHBondContact CH2-OE2 3.37Å; W520-E532 HydrophobicContact CZ2-CB 4.01Å; W520-E532 HydrophobicContact CZ3-CB 4.02Å; W520-E532 HydrophobicContact CZ3-CG 4.04Å; W520-L535 HydrophobicContact CB-CB 3.76Å; W520-L535 HydrophobicContact CB-CD2 3.81Å; W520-L535 HydrophobicContact CB-CG 4.32Å; W520-L535 HydrophobicContact CE3-CD2 4.33Å
521	R	71.4	Confident	71.2	Confident	153 Å²	153	72.2 Å²	72.2	58%	0.577	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.4	176	-159.3	-174.2	-163	-176.5	4	110	G526 K527 R528 L535	R521-G526 WeakPolarHBondContact CG-O 3.11Å; R521-K527 CarbonylContact C-O 3.6Å; R521-K527 WeakPolarHBondContact CA-O 3.16Å; R521-R528 HydrophobicContact CG-CG 4.41Å; R521-L535 WeakPolarHBondContact O-CD2 3.21Å
522	C	77.4	Confident	71.3	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.351	C	S	.	.			trans	-82.7	128.9	162.6	174.7	0	0	0	0	109.8	E524 G526 K527 F529 L535 H542	C522-E524 PolarHBondContact SG-N 2.92Å; C522-E524 VanDerWaalsContact SG-N 3.43Å; C522-G526 WeakPolarHBondContact O-CA 3.18Å; C522-G526 PolarHBondContact O-N 3.43Å; C522-K527 PolarHBondContact N-O 2.94Å; C522-F529 HydrophobicContact CB-CE2 4.43Å; C522-L535 HydrophobicContact CB-CD1 3.83Å; C522-H542 PolarHBondContact SG-CD2 2.62Å; C522-H542 PolarHBondContact SG-NE2 2.94Å
523	N	73.1	Confident	71.5	Confident	102 Å²	102	68.8 Å²	68.8	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-33.3	179.2	-64.4	-2.2	0	0	0	111.5	I364	I364-N523 WeakPolarHBondContact CG2-ND2 3.31Å
524	E	72.4	Confident	71.5	Confident	108 Å²	108	72.7 Å²	72.7	51%	0.505	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.4	-172.3	-63.9	148.9	-72.9	0	0	113.8	C522 H542	C522-E524 PolarHBondContact SG-N 2.92Å; C522-E524 VanDerWaalsContact SG-N 3.43Å; E524-H542 HydrophobicContact CB-CB 4.14Å; E524-H542 HydrophobicContact CG-CB 4.34Å; E524-H542 IonicContact OE1-CD2 3.93Å; E524-H542 WeakPolarHBondContact OE2-CB 3.32Å
525	C	72.6	Confident	72	Confident	54 Å²	54	71 Å²	71	37%	0.365	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	16.4	175.3	85.4	0	0	0	0	115.4	K527 H538 H542	C525-K527 PolarHBondContact O-N 3Å; C525-K527 VanDerWaalsContact SG-CD 3.5Å; C525-K527 VanDerWaalsContact SG-CG 3.58Å; C525-H538 VanDerWaalsContact SG-CE1 3.59Å; C525-H538 PolarHBondContact SG-NE2 3.26Å; C525-H542 PolarHBondContact SG-CE1 3.29Å
526	G	72.9	Confident	72.5	Confident	27 Å²	27	74.6 Å²	74.6	28%	0.278	37%	0.367	S	S	.	.			trans	69.7	-11.8	172.3	0	0	0	0	0	117.6	R521 C522	R521-G526 WeakPolarHBondContact CG-O 3.11Å; C522-G526 WeakPolarHBondContact O-CA 3.18Å; C522-G526 PolarHBondContact O-N 3.43Å
527	K	73.9	Confident	72.8	Confident	123 Å²	123	75 Å²	75	54%	0.535	36%	0.355	S	S	.	.			trans	-57.5	147.4	-179	-71.3	175.1	-169.1	163.7	0	111.5	R521 C522 C525 F529	R521-K527 CarbonylContact C-O 3.6Å; R521-K527 WeakPolarHBondContact CA-O 3.16Å; C522-K527 PolarHBondContact N-O 2.94Å; C525-K527 PolarHBondContact O-N 3Å; C525-K527 VanDerWaalsContact SG-CD 3.5Å; C525-K527 VanDerWaalsContact SG-CG 3.58Å; K527-F529 HydrophobicContact CB-CE2 3.61Å; K527-F529 HydrophobicContact CB-CZ 3.78Å
528	R	76.3	Confident	73.5	Confident	99 Å²	99	73.8 Å²	73.8	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.8	-172.2	-52.3	-176.5	66.6	123.1	8.2	111.5	F499 H517 G518 W520 R521	F499-R528 VanDerWaalsContact CE1-NH1 3.29Å; H517-R528 WeakPolarHBondContact O-CB 3.07Å; H517-R528 VanDerWaalsContact O-CD 3.31Å; H517-R528 WeakPolarHBondContact O-CD 3.44Å; H517-R528 PolarHBondContact O-NE 3.36Å; G518-R528 PolarHBondContact O-NE 3.21Å; G518-R528 VanDerWaalsContact O-NE 3.08Å; G518-R528 PolarHBondContact O-NH2 2.89Å; W520-R528 CarbonylContact O-C 3.57Å; W520-R528 WeakPolarHBondContact O-CA 3.5Å; R521-R528 HydrophobicContact CG-CG 4.41Å
529	F	75.5	Confident	74.2	Confident	43 Å²	43	77 Å²	77	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.5	-173.2	-58.7	-88.7	0	0	0	111.1	G518 Q519 W520 C522 K527 D531 F534 L535 H538	G518-F529 CarbonylContact C-O 3.3Å; G518-F529 WeakPolarHBondContact CA-O 3.3Å; Q519-F529 PolarHBondContact N-O 3.11Å; W520-F529 HydrophobicContact CB-CB 4.33Å; W520-F529 WeakPolarHBondContact CB-O 3.3Å; W520-F529 VanDerWaalsContact CD1-O 3.26Å; W520-F529 PolarHBondContact N-O 3.49Å; W520-F529 VanDerWaalsContact N-O 3.09Å; W520-F529 PolarHBondContact O-N 3.03Å; C522-F529 HydrophobicContact CB-CE2 4.43Å; K527-F529 HydrophobicContact CB-CE2 3.61Å; K527-F529 HydrophobicContact CB-CZ 3.78Å; F529-D531 VanDerWaalsContact C-N 3.32Å; F529-D531 PolarHBondContact O-N 2.84Å; F529-F534 HydrophobicContact CB-CB 3.97Å; F529-F534 HydrophobicContact CD1-CB 4.01Å; F529-F534 HydrophobicContact CG-CB 4.32Å; F529-L535 HydrophobicContact CB-CB 4.43Å; F529-L535 HydrophobicContact CD2-CB 4.45Å; F529-L535 HydrophobicContact CD2-CD1 4.06Å; F529-L535 HydrophobicContact CE2-CD1 4.49Å; F529-H538 HydrophobicContact CE1-CB 4.05Å; F529-H538 HydrophobicContact CE2-CB 4.07Å; F529-H538 AromaticContact CE2-CD2 3.07Å; F529-H538 WeakPolarHBondContact CE2-CD2 3.33Å; F529-H538 AromaticContact CE2-CG 3.71Å; F529-H538 AromaticContact CE2-NE2 3.82Å; F529-H538 HydrophobicContact CZ-CB 3.7Å; F529-H538 AromaticContact CZ-CD2 3.15Å; F529-H538 WeakPolarHBondContact CZ-CD2 3.36Å; F529-H538 AromaticContact CZ-CG 3.34Å; F529-H538 AromaticContact CZ-NE2 3.8Å
530	A	70.6	Confident	74.5	Confident	60 Å²	60	72.9 Å²	72.9	50%	0.496	35%	0.349	S	S	.	.	S	Bend	trans	-72.2	-21.2	-175.2	0	0	0	0	0	114.3
531	D	73	Confident	74.7	Confident	67 Å²	67	73.5 Å²	73.5	36%	0.358	36%	0.358	S	S	.	.	S	Bend	trans	-147.4	153.5	-176.5	175.4	39.3	0	0	0	111.9	F529 L533 F534 L535	F529-D531 VanDerWaalsContact C-N 3.32Å; F529-D531 PolarHBondContact O-N 2.84Å; D531-L533 PolarHBondContact O-N 2.81Å; D531-L533 WeakPolarHBondContact OD2-CB 3.33Å; D531-F534 HydrophobicContact CB-CD2 4.2Å; D531-F534 PolarHBondContact O-N 3.33Å; D531-L535 PolarHBondContact O-N 3.16Å; D531-L535 VanDerWaalsContact O-N 3.14Å
532	E	75.6	Confident	74.6	Confident	41 Å²	41	69.3 Å²	69.3	19%	0.192	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-34.3	-177.8	-170.9	179.5	145.3	0	0	111.3	R366 W520 F534 L535 R536	R366-E532 IonicContact CZ-OE2 3.44Å; R366-E532 IonicContact NH1-OE1 2.73Å; R366-E532 PolarHBondContact NH1-OE1 2.88Å; R366-E532 IonicContact NH1-OE2 3.74Å; R366-E532 PolarHBondContact NH1-OE2 3.23Å; R366-E532 IonicContact NH2-OE2 3.77Å; R366-E532 PolarHBondContact NH2-OE2 2.91Å; W520-E532 HydrophobicContact CD2-CB 4.04Å; W520-E532 HydrophobicContact CE3-CB 4.04Å; W520-E532 HydrophobicContact CE3-CG 4.18Å; W520-E532 HydrophobicContact CH2-CB 4.01Å; W520-E532 HydrophobicContact CH2-CG 4.39Å; W520-E532 WeakPolarHBondContact CH2-OE2 3.37Å; W520-E532 HydrophobicContact CZ2-CB 4.01Å; W520-E532 HydrophobicContact CZ3-CB 4.02Å; W520-E532 HydrophobicContact CZ3-CG 4.04Å; E532-F534 PolarHBondContact O-N 3.37Å; E532-L535 PolarHBondContact O-N 3.1Å; E532-L535 VanDerWaalsContact O-N 3.16Å; E532-R536 HydrophobicContact CG-CG 4.37Å; E532-R536 PolarHBondContact O-N 3.32Å; E532-R536 IonicContact OE1-CZ 3.53Å; E532-R536 IonicContact OE1-NE 3.69Å; E532-R536 PolarHBondContact OE1-NE 3.1Å; E532-R536 IonicContact OE1-NH2 2.68Å; E532-R536 PolarHBondContact OE1-NH2 3.34Å
533	L	78.7	Confident	73.9	Confident	118 Å²	118	72.8 Å²	72.8	62%	0.618	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-13.8	176.6	-59.9	176.2	0	0	0	113.7	D531 R537	D531-L533 PolarHBondContact O-N 2.81Å; D531-L533 WeakPolarHBondContact OD2-CB 3.33Å; L533-R537 PolarHBondContact O-NE 3.13Å; L533-R537 PolarHBondContact O-NH2 2.89Å
534	F	76.9	Confident	73.1	Confident	105 Å²	105	71.4 Å²	71.4	46%	0.461	37%	0.372	S	S	.	.	H	α-helix	trans	-93.5	-35	168.1	-76	-93.2	0	0	0	111.6	F529 D531 E532 H538	F529-F534 HydrophobicContact CB-CB 3.97Å; F529-F534 HydrophobicContact CD1-CB 4.01Å; F529-F534 HydrophobicContact CG-CB 4.32Å; D531-F534 HydrophobicContact CB-CD2 4.2Å; D531-F534 PolarHBondContact O-N 3.33Å; E532-F534 PolarHBondContact O-N 3.37Å; F534-H538 PolarHBondContact O-N 3.13Å
535	L	79.9	Confident	72.1	Confident	16 Å²	16	73 Å²	73	8%	0.084	38%	0.38	C	S	.	.	H	α-helix	trans	-63.7	-51	173.4	176.1	61.6	0	0	0	112	W520 R521 C522 F529 D531 E532 R537 H538 Q539	W520-L535 HydrophobicContact CB-CB 3.76Å; W520-L535 HydrophobicContact CB-CD2 3.81Å; W520-L535 HydrophobicContact CB-CG 4.32Å; W520-L535 HydrophobicContact CE3-CD2 4.33Å; R521-L535 WeakPolarHBondContact O-CD2 3.21Å; C522-L535 HydrophobicContact CB-CD1 3.83Å; F529-L535 HydrophobicContact CB-CB 4.43Å; F529-L535 HydrophobicContact CD2-CB 4.45Å; F529-L535 HydrophobicContact CD2-CD1 4.06Å; F529-L535 HydrophobicContact CE2-CD1 4.49Å; D531-L535 PolarHBondContact O-N 3.16Å; D531-L535 VanDerWaalsContact O-N 3.14Å; E532-L535 PolarHBondContact O-N 3.1Å; E532-L535 VanDerWaalsContact O-N 3.16Å; L535-R537 VanDerWaalsContact C-N 3.27Å; L535-R537 PolarHBondContact O-N 3.46Å; L535-H538 CarbonylContact O-C 3.08Å; L535-H538 WeakPolarHBondContact O-CA 3.4Å; L535-H538 WeakPolarHBondContact O-CB 3.5Å; L535-H538 PolarHBondContact O-N 2.81Å; L535-Q539 HydrophobicContact CD1-CG 4.02Å; L535-Q539 HydrophobicContact CG-CG 4.22Å; L535-Q539 PolarHBondContact O-N 3.31Å
536	R	78	Confident	71.5	Confident	153 Å²	153	74.4 Å²	74.4	58%	0.577	38%	0.384	S	S	*	.	H	α-helix	trans	-56.8	-41.8	180	-72.4	-171.2	-174.9	-135.3	5.2	112.6	E532 H538 Q539 S540	E532-R536 HydrophobicContact CG-CG 4.37Å; E532-R536 PolarHBondContact O-N 3.32Å; E532-R536 IonicContact OE1-CZ 3.53Å; E532-R536 IonicContact OE1-NE 3.69Å; E532-R536 PolarHBondContact OE1-NE 3.1Å; E532-R536 IonicContact OE1-NH2 2.68Å; E532-R536 PolarHBondContact OE1-NH2 3.34Å; R536-H538 PolarHBondContact O-N 2.82Å; R536-Q539 PolarHBondContact O-N 2.88Å; R536-S540 PolarHBondContact O-N 3.43Å
537	R	74.7	Confident	71.2	Confident	91 Å²	91	76.8 Å²	76.8	34%	0.343	39%	0.386	S	S	.	.	H	α-helix	trans	-66.7	-13.1	176.5	-162.8	-163.2	-47.8	163.5	15.8	113.7	L533 L535 S540	L533-R537 PolarHBondContact O-NE 3.13Å; L533-R537 PolarHBondContact O-NH2 2.89Å; L535-R537 VanDerWaalsContact C-N 3.27Å; L535-R537 PolarHBondContact O-N 3.46Å; R537-S540 PolarHBondContact O-OG 2.84Å
538	H	78.5	Confident	71.2	Confident	16 Å²	16	73.9 Å²	73.9	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-104.6	-27.7	173.2	172.8	48.8	0	0	0	112.3	C525 F529 F534 L535 R536 S540 T541 H542	C525-H538 VanDerWaalsContact SG-CE1 3.59Å; C525-H538 PolarHBondContact SG-NE2 3.26Å; F529-H538 HydrophobicContact CE1-CB 4.05Å; F529-H538 HydrophobicContact CE2-CB 4.07Å; F529-H538 AromaticContact CE2-CD2 3.07Å; F529-H538 WeakPolarHBondContact CE2-CD2 3.33Å; F529-H538 AromaticContact CE2-CG 3.71Å; F529-H538 AromaticContact CE2-NE2 3.82Å; F529-H538 HydrophobicContact CZ-CB 3.7Å; F529-H538 AromaticContact CZ-CD2 3.15Å; F529-H538 WeakPolarHBondContact CZ-CD2 3.36Å; F529-H538 AromaticContact CZ-CG 3.34Å; F529-H538 AromaticContact CZ-NE2 3.8Å; F534-H538 PolarHBondContact O-N 3.13Å; L535-H538 CarbonylContact O-C 3.08Å; L535-H538 WeakPolarHBondContact O-CA 3.4Å; L535-H538 WeakPolarHBondContact O-CB 3.5Å; L535-H538 PolarHBondContact O-N 2.81Å; R536-H538 PolarHBondContact O-N 2.82Å; H538-S540 PolarHBondContact O-N 3.13Å; H538-T541 PolarHBondContact CE1-OG1 3.44Å; H538-T541 PolarHBondContact ND1-OG1 3.18Å; H538-T541 PolarHBondContact O-N 3.31Å; H538-T541 PolarHBondContact O-OG1 3.07Å; H538-H542 AromaticContact CD2-NE2 3.94Å; H538-H542 AromaticContact CE1-CE1 3.52Å; H538-H542 AromaticContact CE1-NE2 3.05Å; H538-H542 PolarHBondContact CE1-NE2 3.28Å; H538-H542 AromaticContact ND1-NE2 3.86Å; H538-H542 AromaticContact NE2-CE1 3.91Å; H538-H542 AromaticContact NE2-NE2 3.12Å; H538-H542 PolarHBondContact NE2-NE2 3Å; H538-H542 VanDerWaalsContact NE2-NE2 3.12Å; H538-H542 PolarHBondContact O-CD2 2.82Å
539	Q	76.6	Confident	71.5	Confident	70 Å²	70	69.2 Å²	69.2	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-62.7	-33.7	166.4	-68.1	176.1	-73.7	0	0	110.6	L535 R536 T541 H542 S543	L535-Q539 HydrophobicContact CD1-CG 4.02Å; L535-Q539 HydrophobicContact CG-CG 4.22Å; L535-Q539 PolarHBondContact O-N 3.31Å; R536-Q539 PolarHBondContact O-N 2.88Å; Q539-T541 PolarHBondContact O-N 3.09Å; Q539-H542 PolarHBondContact O-N 3.16Å; Q539-S543 WeakPolarHBondContact O-CB 3.41Å; Q539-S543 PolarHBondContact O-N 3.14Å
540	S	72.6	Confident	71.8	Confident	34 Å²	34	72.1 Å²	72.1	24%	0.238	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	24.7	164.6	71.7	0	0	0	0	114.4	R536 R537 H538	R536-S540 PolarHBondContact O-N 3.43Å; R537-S540 PolarHBondContact O-OG 2.84Å; H538-S540 PolarHBondContact O-N 3.13Å
541	T	68.4	Low	72.4	Confident	63 Å²	63	73.6 Å²	73.6	39%	0.387	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	11.5	161.6	78.2	0	0	0	0	112.5	H538 Q539 C557	H538-T541 PolarHBondContact CE1-OG1 3.44Å; H538-T541 PolarHBondContact ND1-OG1 3.18Å; H538-T541 PolarHBondContact O-N 3.31Å; H538-T541 PolarHBondContact O-OG1 3.07Å; Q539-T541 PolarHBondContact O-N 3.09Å; T541-C557 HydrophobicContact CG2-CB 3.52Å
542	H	68.8	Low	72.9	Confident	66 Å²	66	72.2 Å²	72.2	31%	0.306	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-46.3	174	-49.3	-64.9	0	0	0	109.4	C522 E524 C525 H538 Q539 A544	C522-H542 PolarHBondContact SG-CD2 2.62Å; C522-H542 PolarHBondContact SG-NE2 2.94Å; E524-H542 HydrophobicContact CB-CB 4.14Å; E524-H542 HydrophobicContact CG-CB 4.34Å; E524-H542 IonicContact OE1-CD2 3.93Å; E524-H542 WeakPolarHBondContact OE2-CB 3.32Å; C525-H542 PolarHBondContact SG-CE1 3.29Å; H538-H542 AromaticContact CD2-NE2 3.94Å; H538-H542 AromaticContact CE1-CE1 3.52Å; H538-H542 AromaticContact CE1-NE2 3.05Å; H538-H542 PolarHBondContact CE1-NE2 3.28Å; H538-H542 AromaticContact ND1-NE2 3.86Å; H538-H542 AromaticContact NE2-CE1 3.91Å; H538-H542 AromaticContact NE2-NE2 3.12Å; H538-H542 PolarHBondContact NE2-NE2 3Å; H538-H542 VanDerWaalsContact NE2-NE2 3.12Å; H538-H542 PolarHBondContact O-CD2 2.82Å; Q539-H542 PolarHBondContact O-N 3.16Å; H542-A544 PolarHBondContact O-N 2.9Å
543	S	62.9	Low	73.1	Confident	73 Å²	73	78.3 Å²	78.3	51%	0.51	41%	0.405	S	S	.	.	S	Bend	trans	-65.7	113.1	160.7	-174.5	0	0	0	0	109	Q539 Q545	Q539-S543 WeakPolarHBondContact O-CB 3.41Å; Q539-S543 PolarHBondContact O-N 3.14Å; S543-Q545 VanDerWaalsContact C-N 3.25Å; S543-Q545 PolarHBondContact O-N 3.2Å
544	A	55.8	Low	73	Confident	73 Å²	73	78.2 Å²	78.2	60%	0.603	40%	0.4	S	S	*	.			trans	-71.5	64.1	-169.1	0	0	0	0	0	114.2	H542 D546	H542-A544 PolarHBondContact O-N 2.9Å; A544-D546 WeakPolarHBondContact CA-OD1 2.87Å; A544-D546 WeakPolarHBondContact CB-OD2 3.25Å; A544-D546 PolarHBondContact O-N 3.08Å; A544-D546 VanDerWaalsContact O-N 3.15Å
545	Q	52.9	Low	73	Confident	142 Å²	142	77.2 Å²	77.2	66%	0.664	40%	0.402	S	S	*	.			trans	-82	63.3	154	-68.1	-154.3	-66	0	0	108.9	S543 F547	S543-Q545 VanDerWaalsContact C-N 3.25Å; S543-Q545 PolarHBondContact O-N 3.2Å; Q545-F547 WeakPolarHBondContact O-CD2 3.22Å; Q545-F547 PolarHBondContact O-N 3.22Å; Q545-F547 VanDerWaalsContact O-N 3.14Å
546	D	59.7	Low	72.9	Confident	83 Å²	83	79.2 Å²	79.2	44%	0.444	41%	0.409	S	S	.	.			trans	-76.8	104.8	-167.9	-68.3	-22.3	0	0	0	111.2	A544 V548 V555	A544-D546 WeakPolarHBondContact CA-OD1 2.87Å; A544-D546 WeakPolarHBondContact CB-OD2 3.25Å; A544-D546 PolarHBondContact O-N 3.08Å; A544-D546 VanDerWaalsContact O-N 3.15Å; D546-V548 HydrophobicContact CB-CG2 3.57Å; D546-V548 PolarHBondContact O-N 3.5Å; D546-V555 HydrophobicContact CB-CG1 3.94Å; D546-V555 WeakPolarHBondContact OD1-CG1 3.4Å
547	F	66.9	Low	72.5	Confident	77 Å²	77	74.7 Å²	74.7	34%	0.338	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	69.6	161.4	-60.3	-81.1	0	0	0	108.6	Q545 Y556 P559 L562	Q545-F547 WeakPolarHBondContact O-CD2 3.22Å; Q545-F547 PolarHBondContact O-N 3.22Å; Q545-F547 VanDerWaalsContact O-N 3.14Å; F547-Y556 WeakPolarHBondContact CB-O 3.1Å; F547-Y556 PolarHBondContact O-N 2.86Å; F547-P559 HydrophobicContact CD1-CB 3.95Å; F547-P559 HydrophobicContact CE1-CB 3.7Å; F547-P559 HydrophobicContact CE1-CG 4.25Å; F547-P559 HydrophobicContact CZ-CB 4.08Å; F547-P559 HydrophobicContact CZ-CG 4.12Å; F547-L562 HydrophobicContact CB-CB 3.84Å; F547-L562 HydrophobicContact CB-CD2 3.71Å; F547-L562 HydrophobicContact CB-CG 4.35Å; F547-L562 HydrophobicContact CD1-CD2 4.35Å
548	V	74.1	Confident	72.4	Confident	61 Å²	61	74.7 Å²	74.7	37%	0.37	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.1	174.3	-171.5	0	0	0	0	109.6	D546 D550 V555	D546-V548 HydrophobicContact CB-CG2 3.57Å; D546-V548 PolarHBondContact O-N 3.5Å; V548-D550 PolarHBondContact O-N 2.06Å; V548-V555 HydrophobicContact CG2-CG2 4.45Å
549	C	82.2	Confident	72.4	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.007	42%	0.418	C	S	.	.			trans	-78.2	117.2	165.6	-172.6	0	0	0	0	111.8	V551 C552 E553 K554 L562 H565 H569	C549-V551 PolarHBondContact O-N 3.21Å; C549-C552 PolarHBondContact O-N 3.49Å; C549-E553 WeakPolarHBondContact O-CA 3.19Å; C549-E553 PolarHBondContact O-N 3.08Å; C549-K554 PolarHBondContact N-O 2.95Å; C549-L562 HydrophobicContact CB-CD1 3.88Å; C549-H565 WeakPolarHBondContact CB-NE2 3.34Å; C549-H565 VanDerWaalsContact SG-CD2 3.57Å; C549-H565 PolarHBondContact SG-NE2 3.08Å; C549-H565 VanDerWaalsContact SG-NE2 3.41Å; C549-H569 PolarHBondContact SG-CD2 2.79Å; C549-H569 PolarHBondContact SG-NE2 3.03Å
550	D	80.5	Confident	72.6	Confident	105 Å²	105	79.7 Å²	79.7	56%	0.561	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	5	175.8	51.8	-44.7	0	0	0	115.4	V548 R566	V548-D550 PolarHBondContact O-N 2.06Å; D550-R566 IonicContact OD1-CZ 2.75Å; D550-R566 IonicContact OD1-NH1 3.95Å; D550-R566 PolarHBondContact OD1-NH1 3.21Å; D550-R566 IonicContact OD2-CZ 3.71Å; D550-R566 IonicContact OD2-NH1 3.19Å; D550-R566 PolarHBondContact OD2-NH1 2.87Å; D550-R566 IonicContact OD2-NH2 2.73Å
551	V	83.1	Confident	73.1	Confident	90 Å²	90	81.3 Å²	81.3	55%	0.545	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-22.7	177.7	-172.6	0	0	0	0	113.4	C549 H569	C549-V551 PolarHBondContact O-N 3.21Å; V551-H569 HydrophobicContact CB-CB 4.28Å; V551-H569 HydrophobicContact CG1-CB 4.12Å; V551-H569 HydrophobicContact CG2-CB 4.25Å
552	C	83.7	Confident	73.8	Confident	39 Å²	39	79.6 Å²	79.6	26%	0.264	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152	23.6	178.6	81.2	0	0	0	0	115.1	C549 K554 H565 H569	C549-C552 PolarHBondContact O-N 3.49Å; C552-K554 PolarHBondContact O-N 2.83Å; C552-H565 PolarHBondContact SG-NE2 3.2Å; C552-H565 VanDerWaalsContact SG-NE2 3.37Å; C552-H569 WeakPolarHBondContact CB-CE1 3.26Å; C552-H569 WeakPolarHBondContact CB-NE2 3.41Å; C552-H569 PolarHBondContact SG-CE1 2.79Å; C552-H569 PolarHBondContact SG-NE2 3.36Å
553	E	79.8	Confident	74.5	Confident	168 Å²	168	79.6 Å²	79.6	79%	0.785	43%	0.431	S	S	*	.			trans	59.7	8.3	167.8	-60	175.3	175.2	0	0	116.3	C549 V555	C549-E553 WeakPolarHBondContact O-CA 3.19Å; C549-E553 PolarHBondContact O-N 3.08Å; E553-V555 PolarHBondContact O-N 3.46Å
554	K	78.2	Confident	75.4	Confident	116 Å²	116	77.2 Å²	77.2	50%	0.504	42%	0.416	S	S	.	.			trans	-70.3	119.6	177.5	-74.1	175.2	-172.8	166.8	0	110.5	C549 C552 Y556	C549-K554 PolarHBondContact N-O 2.95Å; C552-K554 PolarHBondContact O-N 2.83Å; K554-Y556 HydrophobicContact CB-CE2 3.65Å; K554-Y556 VanDerWaalsContact O-CD2 3.23Å; K554-Y556 WeakPolarHBondContact O-CD2 3.48Å; K554-Y556 WeakPolarHBondContact O-CE2 3.32Å
555	V	76.7	Confident	76.8	Confident	85 Å²	85	74.4 Å²	74.4	52%	0.515	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.9	177.5	-173.1	0	0	0	0	110.6	D546 V548 E553	D546-V555 HydrophobicContact CB-CG1 3.94Å; D546-V555 WeakPolarHBondContact OD1-CG1 3.4Å; V548-V555 HydrophobicContact CG2-CG2 4.45Å; E553-V555 PolarHBondContact O-N 3.46Å
556	Y	77.9	Confident	78.3	Confident	58 Å²	58	73.1 Å²	73.1	23%	0.227	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.8	175.2	-69.8	-85.2	0	0	0	112.1	F547 K554 R558 N561 L562 H565	F547-Y556 WeakPolarHBondContact CB-O 3.1Å; F547-Y556 PolarHBondContact O-N 2.86Å; K554-Y556 HydrophobicContact CB-CE2 3.65Å; K554-Y556 VanDerWaalsContact O-CD2 3.23Å; K554-Y556 WeakPolarHBondContact O-CD2 3.48Å; K554-Y556 WeakPolarHBondContact O-CE2 3.32Å; Y556-R558 PolarHBondContact O-N 3.08Å; Y556-N561 HydrophobicContact CD1-CB 3.69Å; Y556-N561 HydrophobicContact CG-CB 4.22Å; Y556-L562 HydrophobicContact CD2-CB 4.25Å; Y556-L562 HydrophobicContact CD2-CD1 4.15Å; Y556-L562 HydrophobicContact CG-CB 4.38Å; Y556-H565 HydrophobicContact CE1-CB 4.26Å; Y556-H565 HydrophobicContact CE2-CB 3.86Å; Y556-H565 AromaticContact CE2-CD2 3.23Å; Y556-H565 WeakPolarHBondContact CE2-CD2 3.34Å; Y556-H565 AromaticContact CE2-CG 3.58Å; Y556-H565 AromaticContact CE2-NE2 3.98Å; Y556-H565 AromaticContact CZ-CD2 3.67Å; Y556-H565 AromaticContact CZ-CG 3.52Å; Y556-H565 PolarHBondContact OH-ND1 3.27Å
557	C	68.7	Low	79.5	Confident	57 Å²	57	70 Å²	70	39%	0.385	36%	0.363	S	S	.	.	S	Bend	trans	-76.4	5	178.2	63.3	0	0	0	0	114.9	T541	T541-C557 HydrophobicContact CG2-CB 3.52Å
558	R	72.2	Confident	80.2	Confident	91 Å²	91	71.6 Å²	71.6	34%	0.343	37%	0.374	S	S	.	.	S	Bend	trans	-156.6	142.8	-177	-67.4	-171.6	173.7	-171.9	-4.3	111.6	Y556 E560 N561 L562	Y556-R558 PolarHBondContact O-N 3.08Å; R558-E560 VanDerWaalsContact C-N 3.28Å; R558-E560 VanDerWaalsContact CD-OE2 3.3Å; R558-E560 WeakPolarHBondContact CD-OE2 3.19Å; R558-E560 IonicContact CZ-OE2 3Å; R558-E560 IonicContact NE-OE2 2.74Å; R558-E560 IonicContact NH1-OE2 2.62Å; R558-E560 PolarHBondContact NH1-OE2 3.32Å; R558-E560 VanDerWaalsContact NH1-OE2 3.12Å; R558-E560 PolarHBondContact O-N 2.88Å; R558-N561 HydrophobicContact CB-CB 4.28Å; R558-N561 PolarHBondContact O-N 2.8Å; R558-N561 VanDerWaalsContact O-N 3.17Å; R558-L562 PolarHBondContact O-N 3.31Å; R558-L562 VanDerWaalsContact O-N 3.14Å
559	P	79.3	Confident	80.6	Confident	71 Å²	71	72.7 Å²	72.7	46%	0.461	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-33.2	174.9	26.3	-33.1	0	0	0	112.2	F547 N561 L562 S563	F547-P559 HydrophobicContact CD1-CB 3.95Å; F547-P559 HydrophobicContact CE1-CB 3.7Å; F547-P559 HydrophobicContact CE1-CG 4.25Å; F547-P559 HydrophobicContact CZ-CB 4.08Å; F547-P559 HydrophobicContact CZ-CG 4.12Å; P559-N561 VanDerWaalsContact C-N 3.27Å; P559-N561 PolarHBondContact O-N 2.97Å; P559-L562 PolarHBondContact O-N 3.16Å; P559-S563 WeakPolarHBondContact O-CB 3.23Å; P559-S563 PolarHBondContact O-N 3.49Å
560	E	81.1	Confident	80.4	Confident	120 Å²	120	76 Å²	76	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-57.7	-40	175.5	-54.8	164	156.3	0	0	112	R558 A564	R558-E560 VanDerWaalsContact C-N 3.28Å; R558-E560 VanDerWaalsContact CD-OE2 3.3Å; R558-E560 WeakPolarHBondContact CD-OE2 3.19Å; R558-E560 IonicContact CZ-OE2 3Å; R558-E560 IonicContact NE-OE2 2.74Å; R558-E560 IonicContact NH1-OE2 2.62Å; R558-E560 PolarHBondContact NH1-OE2 3.32Å; R558-E560 VanDerWaalsContact NH1-OE2 3.12Å; R558-E560 PolarHBondContact O-N 2.88Å; E560-A564 VanDerWaalsContact O-CB 3.31Å; E560-A564 WeakPolarHBondContact O-CB 3.35Å; E560-A564 PolarHBondContact O-N 3.03Å
561	N	81.7	Confident	80.3	Confident	68 Å²	68	73.2 Å²	73.2	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-78.3	-40.4	-178.9	-69.1	-12.3	0	0	0	110.9	Y556 R558 P559 A564 H565	Y556-N561 HydrophobicContact CD1-CB 3.69Å; Y556-N561 HydrophobicContact CG-CB 4.22Å; R558-N561 HydrophobicContact CB-CB 4.28Å; R558-N561 PolarHBondContact O-N 2.8Å; R558-N561 VanDerWaalsContact O-N 3.17Å; P559-N561 VanDerWaalsContact C-N 3.27Å; P559-N561 PolarHBondContact O-N 2.97Å; N561-A564 PolarHBondContact O-N 3.16Å; N561-H565 VanDerWaalsContact O-CB 3.31Å; N561-H565 WeakPolarHBondContact O-CB 3.14Å; N561-H565 PolarHBondContact O-N 2.74Å
562	L	84.3	Confident	80.1	Confident	28 Å²	28	74.5 Å²	74.5	15%	0.147	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-47.8	171.4	172.1	61.1	0	0	0	110.9	F547 C549 Y556 R558 P559 A564 H565 R566	F547-L562 HydrophobicContact CB-CB 3.84Å; F547-L562 HydrophobicContact CB-CD2 3.71Å; F547-L562 HydrophobicContact CB-CG 4.35Å; F547-L562 HydrophobicContact CD1-CD2 4.35Å; C549-L562 HydrophobicContact CB-CD1 3.88Å; Y556-L562 HydrophobicContact CD2-CB 4.25Å; Y556-L562 HydrophobicContact CD2-CD1 4.15Å; Y556-L562 HydrophobicContact CG-CB 4.38Å; R558-L562 PolarHBondContact O-N 3.31Å; R558-L562 VanDerWaalsContact O-N 3.14Å; P559-L562 PolarHBondContact O-N 3.16Å; L562-A564 PolarHBondContact O-N 2.94Å; L562-H565 CarbonylContact O-C 3.54Å; L562-H565 WeakPolarHBondContact O-CB 3.41Å; L562-H565 PolarHBondContact O-N 3.45Å; L562-H565 VanDerWaalsContact O-N 3.11Å; L562-R566 WeakPolarHBondContact O-CB 3.32Å; L562-R566 PolarHBondContact O-N 3.21Å
563	S	83.2	Confident	79.9	Confident	65 Å²	65	77.6 Å²	77.6	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-58.9	-49.8	177.4	173.4	0	0	0	0	111.6	P559 H565 R566 N567	P559-S563 WeakPolarHBondContact O-CB 3.23Å; P559-S563 PolarHBondContact O-N 3.49Å; S563-H565 PolarHBondContact O-N 3.22Å; S563-R566 PolarHBondContact O-N 2.66Å; S563-N567 PolarHBondContact O-N 2.88Å; S563-N567 PolarHBondContact O-ND2 2.94Å; S563-N567 PolarHBondContact O-OD1 3.18Å
564	A	82.5	Confident	80	Confident	23 Å²	23	73 Å²	73	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-62.1	-23.4	176.4	0	0	0	0	0	114	E560 N561 L562	E560-A564 VanDerWaalsContact O-CB 3.31Å; E560-A564 WeakPolarHBondContact O-CB 3.35Å; E560-A564 PolarHBondContact O-N 3.03Å; N561-A564 PolarHBondContact O-N 3.16Å; L562-A564 PolarHBondContact O-N 2.94Å
565	H	84.9	Confident	80.2	Confident	14 Å²	14	71 Å²	71	7%	0.065	37%	0.374	C	S	.	.	H	α-helix	trans	-85	-42.4	173.2	169.9	57.6	0	0	0	113	C549 C552 Y556 N561 L562 S563 N567 L568 H569	C549-H565 WeakPolarHBondContact CB-NE2 3.34Å; C549-H565 VanDerWaalsContact SG-CD2 3.57Å; C549-H565 PolarHBondContact SG-NE2 3.08Å; C549-H565 VanDerWaalsContact SG-NE2 3.41Å; C552-H565 PolarHBondContact SG-NE2 3.2Å; C552-H565 VanDerWaalsContact SG-NE2 3.37Å; Y556-H565 HydrophobicContact CE1-CB 4.26Å; Y556-H565 HydrophobicContact CE2-CB 3.86Å; Y556-H565 AromaticContact CE2-CD2 3.23Å; Y556-H565 WeakPolarHBondContact CE2-CD2 3.34Å; Y556-H565 AromaticContact CE2-CG 3.58Å; Y556-H565 AromaticContact CE2-NE2 3.98Å; Y556-H565 AromaticContact CZ-CD2 3.67Å; Y556-H565 AromaticContact CZ-CG 3.52Å; Y556-H565 PolarHBondContact OH-ND1 3.27Å; N561-H565 VanDerWaalsContact O-CB 3.31Å; N561-H565 WeakPolarHBondContact O-CB 3.14Å; N561-H565 PolarHBondContact O-N 2.74Å; L562-H565 CarbonylContact O-C 3.54Å; L562-H565 WeakPolarHBondContact O-CB 3.41Å; L562-H565 PolarHBondContact O-N 3.45Å; L562-H565 VanDerWaalsContact O-N 3.11Å; S563-H565 PolarHBondContact O-N 3.22Å; H565-N567 PolarHBondContact O-N 3.23Å; H565-L568 WeakPolarHBondContact O-CA 3.47Å; H565-L568 WeakPolarHBondContact O-CB 3.3Å; H565-L568 PolarHBondContact O-N 2.83Å; H565-H569 AromaticContact CD2-NE2 3.49Å; H565-H569 PolarHBondContact CD2-NE2 3.31Å; H565-H569 AromaticContact CE1-CD2 3.86Å; H565-H569 AromaticContact CE1-NE2 2.77Å; H565-H569 PolarHBondContact CE1-NE2 2.87Å; H565-H569 AromaticContact ND1-NE2 3.91Å; H565-H569 AromaticContact NE2-CD2 3.72Å; H565-H569 AromaticContact NE2-NE2 2.38Å; H565-H569 PolarHBondContact NE2-NE2 2.84Å
566	R	83.4	Confident	80.5	Confident	115 Å²	115	70.1 Å²	70.1	43%	0.434	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-35.4	174.7	-177.9	174.3	171.5	130.1	-1.4	111.5	D550 L562 S563 L568 H569 T570	D550-R566 IonicContact OD1-CZ 2.75Å; D550-R566 IonicContact OD1-NH1 3.95Å; D550-R566 PolarHBondContact OD1-NH1 3.21Å; D550-R566 IonicContact OD2-CZ 3.71Å; D550-R566 IonicContact OD2-NH1 3.19Å; D550-R566 PolarHBondContact OD2-NH1 2.87Å; D550-R566 IonicContact OD2-NH2 2.73Å; L562-R566 WeakPolarHBondContact O-CB 3.32Å; L562-R566 PolarHBondContact O-N 3.21Å; S563-R566 PolarHBondContact O-N 2.66Å; R566-L568 PolarHBondContact O-N 3.3Å; R566-L568 VanDerWaalsContact O-N 3.13Å; R566-H569 WeakPolarHBondContact O-CA 3.03Å; R566-H569 WeakPolarHBondContact O-CB 3.19Å; R566-H569 PolarHBondContact O-N 3.48Å; R566-T570 HydrophobicContact CG-CG2 4.39Å; R566-T570 PolarHBondContact O-N 3.44Å; R566-T570 PolarHBondContact O-OG1 3.38Å
567	N	85.5	Confident	80.8	Confident	19 Å²	19	68 Å²	68	10%	0.102	36%	0.363	C	S	.	.	H	α-helix	trans	-57.2	-19.6	169.1	-70	-3.9	0	0	0	114.4	S563 H565 G571 E572 T585	S563-N567 PolarHBondContact O-N 2.88Å; S563-N567 PolarHBondContact O-ND2 2.94Å; S563-N567 PolarHBondContact O-OD1 3.18Å; H565-N567 PolarHBondContact O-N 3.23Å; N567-G571 CarbonylContact O-C 3.48Å; N567-G571 WeakPolarHBondContact O-CA 3.44Å; N567-G571 PolarHBondContact O-N 3.29Å; N567-E572 WeakPolarHBondContact CB-O 3.49Å; N567-E572 PolarHBondContact O-N 3.34Å; N567-T585 HydrophobicContact CB-CG2 3.89Å; N567-T585 PolarHBondContact ND2-O 3.18Å; N567-T585 WeakPolarHBondContact O-CG2 3.25Å
568	L	81.1	Confident	81.3	Confident	109 Å²	109	70.6 Å²	70.6	57%	0.571	38%	0.377	S	S	*	.	H	α-helix	trans	-80.5	-29.7	171.7	-60.8	164	0	0	0	112	H565 R566 T585	H565-L568 WeakPolarHBondContact O-CA 3.47Å; H565-L568 WeakPolarHBondContact O-CB 3.3Å; H565-L568 PolarHBondContact O-N 2.83Å; R566-L568 PolarHBondContact O-N 3.3Å; R566-L568 VanDerWaalsContact O-N 3.13Å; L568-T585 HydrophobicContact CD2-CG2 3.8Å; L568-T585 HydrophobicContact CG-CG2 4.29Å
569	H	83.1	Confident	81.6	Confident	85 Å²	85	73.1 Å²	73.1	39%	0.394	39%	0.391	S	S	.	.	H	α-helix	trans	-82.8	-42	177.1	-65.8	-66	0	0	0	112.3	C549 V551 C552 H565 R566 G571	C549-H569 PolarHBondContact SG-CD2 2.79Å; C549-H569 PolarHBondContact SG-NE2 3.03Å; V551-H569 HydrophobicContact CB-CB 4.28Å; V551-H569 HydrophobicContact CG1-CB 4.12Å; V551-H569 HydrophobicContact CG2-CB 4.25Å; C552-H569 WeakPolarHBondContact CB-CE1 3.26Å; C552-H569 WeakPolarHBondContact CB-NE2 3.41Å; C552-H569 PolarHBondContact SG-CE1 2.79Å; C552-H569 PolarHBondContact SG-NE2 3.36Å; H565-H569 AromaticContact CD2-NE2 3.49Å; H565-H569 PolarHBondContact CD2-NE2 3.31Å; H565-H569 AromaticContact CE1-CD2 3.86Å; H565-H569 AromaticContact CE1-NE2 2.77Å; H565-H569 PolarHBondContact CE1-NE2 2.87Å; H565-H569 AromaticContact ND1-NE2 3.91Å; H565-H569 AromaticContact NE2-CD2 3.72Å; H565-H569 AromaticContact NE2-NE2 2.38Å; H565-H569 PolarHBondContact NE2-NE2 2.84Å; R566-H569 WeakPolarHBondContact O-CA 3.03Å; R566-H569 WeakPolarHBondContact O-CB 3.19Å; R566-H569 PolarHBondContact O-N 3.48Å; H569-G571 PolarHBondContact O-N 3.4Å
570	T	78.5	Confident	81.6	Confident	71 Å²	71	72 Å²	72	44%	0.436	38%	0.384	S	S	.	.	S	Bend	trans	-73.3	-14	173.2	63.7	0	0	0	0	112.7	R566 E572	R566-T570 HydrophobicContact CG-CG2 4.39Å; R566-T570 PolarHBondContact O-N 3.44Å; R566-T570 PolarHBondContact O-OG1 3.38Å; T570-E572 PolarHBondContact O-N 2.86Å; T570-E572 WeakPolarHBondContact OG1-CB 3.47Å; T570-E572 WeakPolarHBondContact OG1-CG 3.4Å; T570-E572 PolarHBondContact OG1-N 3.24Å; T570-E572 PolarHBondContact OG1-OE2 3.26Å
571	G	76.8	Confident	81.6	Confident	45 Å²	45	72.2 Å²	72.2	46%	0.464	40%	0.399	S	S	.	.			trans	71.1	-0.1	-172.6	0	0	0	0	0	114.2	N567 H569 K573	N567-G571 CarbonylContact O-C 3.48Å; N567-G571 WeakPolarHBondContact O-CA 3.44Å; N567-G571 PolarHBondContact O-N 3.29Å; H569-G571 PolarHBondContact O-N 3.4Å; G571-K573 PolarHBondContact O-N 2.78Å
572	E	79.5	Confident	81.6	Confident	118 Å²	118	73.8 Å²	73.8	55%	0.551	41%	0.405	S	S	*	.			trans	-67.5	118.9	-175.8	-69.9	176.3	126.7	0	0	111.6	N567 T570 P574	N567-E572 WeakPolarHBondContact CB-O 3.49Å; N567-E572 PolarHBondContact O-N 3.34Å; T570-E572 PolarHBondContact O-N 2.86Å; T570-E572 WeakPolarHBondContact OG1-CB 3.47Å; T570-E572 WeakPolarHBondContact OG1-CG 3.4Å; T570-E572 PolarHBondContact OG1-N 3.24Å; T570-E572 PolarHBondContact OG1-OE2 3.26Å; E572-P574 VanDerWaalsContact C-CD 3.43Å; E572-P574 WeakPolarHBondContact O-CD 3.46Å
573	K	80.8	Confident	81.6	Confident	104 Å²	104	79.1 Å²	79.1	45%	0.452	42%	0.424	S	S	.	.			trans	-114.5	79.4	177.5	-67.5	163.5	-179.8	176.4	0	108.9	G571 Y575 R583 F584 T585	G571-K573 PolarHBondContact O-N 2.78Å; K573-Y575 VanDerWaalsContact C-N 3.28Å; K573-Y575 PolarHBondContact O-N 3.42Å; K573-R583 HydrophobicContact CB-CB 3.43Å; K573-R583 VanDerWaalsContact CB-CB 3.43Å; K573-R583 HydrophobicContact CD-CB 4.15Å; K573-R583 HydrophobicContact CG-CB 4.33Å; K573-R583 PolarHBondContact O-NE 3.47Å; K573-R583 PolarHBondContact O-NH2 2.82Å; K573-F584 CarbonylContact C-O 3.16Å; K573-F584 WeakPolarHBondContact CA-O 3.2Å; K573-T585 HydrophobicContact CG-CG2 3.86Å
574	P	81.6	Confident	81.6	Confident	71 Å²	71	77.6 Å²	77.6	46%	0.461	41%	0.409	S	S	.	.			trans	-68.6	-26.7	-174.8	26.8	-34.8	0	0	0	112.7	E572 T576	E572-P574 VanDerWaalsContact C-CD 3.43Å; E572-P574 WeakPolarHBondContact O-CD 3.46Å; P574-T576 PolarHBondContact O-N 3.12Å
575	Y	81.8	Confident	81.6	Confident	73 Å²	73	77.3 Å²	77.3	29%	0.286	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	89.8	-179.4	-55.9	-73.8	0	0	0	111	K573 R583 F584 S586 R587 W590	K573-Y575 VanDerWaalsContact C-N 3.28Å; K573-Y575 PolarHBondContact O-N 3.42Å; Y575-R583 CarbonylContact O-C 3.58Å; Y575-R583 WeakPolarHBondContact O-CA 3.17Å; Y575-F584 PolarHBondContact N-O 3.38Å; Y575-F584 PolarHBondContact O-N 3.16Å; Y575-S586 VanDerWaalsContact CD2-C 3.44Å; Y575-R587 HydrophobicContact CD1-CB 4.48Å; Y575-R587 HydrophobicContact CE1-CB 3.89Å; Y575-R587 HydrophobicContact CE1-CG 4.13Å; Y575-R587 HydrophobicContact CE2-CB 4.14Å; Y575-R587 VanDerWaalsContact CE2-N 3.26Å; Y575-W590 HydrophobicContact CG-CB 4.21Å; Y575-W590 HydrophobicContact CG-CG 4.37Å
576	T	82.7	Confident	81.4	Confident	68 Å²	68	77.3 Å²	77.3	42%	0.417	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	143.1	171.6	47.9	0	0	0	0	111.4	P574 R583 W590	P574-T576 PolarHBondContact O-N 3.12Å; T576-R583 HydrophobicContact CG2-CG 4.02Å; T576-W590 PolarHBondContact O-NE1 2.91Å
577	C	83.3	Confident	81.4	Confident	13 Å²	13	79.1 Å²	79.1	9%	0.088	41%	0.413	C	S	.	.			trans	-80.3	145.2	160.4	-171.5	0	0	0	0	110.3	F579 C580 M582 H593 M594 H597	C577-F579 PolarHBondContact SG-N 3.15Å; C577-F579 VanDerWaalsContact SG-N 3.37Å; C577-C580 WeakPolarHBondContact CB-O 3.13Å; C577-M582 WeakPolarHBondContact CB-O 3.44Å; C577-M582 PolarHBondContact N-O 3.4Å; C577-H593 VanDerWaalsContact CB-NE2 3.31Å; C577-H593 WeakPolarHBondContact CB-NE2 3.49Å; C577-H593 PolarHBondContact SG-NE2 3.22Å; C577-M594 HydrophobicContact CB-CE 4.43Å; C577-H597 PolarHBondContact SG-CD2 3.06Å; C577-H597 PolarHBondContact SG-NE2 3.44Å; C577-H597 VanDerWaalsContact SG-NE2 3.43Å
578	T	81.1	Confident	81.2	Confident	112 Å²	112	82.5 Å²	82.5	69%	0.687	44%	0.436	S	S	*	.	S	Bend	trans	-87.6	-16.6	175.9	49.5	0	0	0	0	112.8
579	F	77.6	Confident	81.2	Confident	144 Å²	144	81.8 Å²	81.8	63%	0.632	43%	0.433	S	S	*	.	S	Bend	trans	-109.2	-9.5	-174.7	-59.3	-78.7	0	0	0	113.6	C577 M594 H597	C577-F579 PolarHBondContact SG-N 3.15Å; C577-F579 VanDerWaalsContact SG-N 3.37Å; F579-M594 HydrophobicContact CD2-SD 4.03Å; F579-M594 HydrophobicContact CE2-SD 4.17Å; F579-H597 HydrophobicContact CB-CB 4.18Å; F579-H597 VanDerWaalsContact CB-CE1 3.47Å; F579-H597 WeakPolarHBondContact CB-CE1 3.32Å; F579-H597 VanDerWaalsContact CB-ND1 3.25Å; F579-H597 WeakPolarHBondContact CB-ND1 3.38Å; F579-H597 HydrophobicContact CD2-CB 3.67Å; F579-H597 AromaticContact CD2-CG 3.85Å; F579-H597 HydrophobicContact CE2-CB 4.24Å; F579-H597 HydrophobicContact CG-CB 4.02Å; F579-H597 AromaticContact CG-CG 3.92Å; F579-H597 AromaticContact CG-ND1 4Å
580	C	79.9	Confident	81.5	Confident	47 Å²	47	80.8 Å²	80.8	32%	0.318	43%	0.426	S	S	.	.	S	Bend	trans	-158	166.8	170.7	71.2	0	0	0	0	111.2	C577 M582 H593 H597	C577-C580 WeakPolarHBondContact CB-O 3.13Å; C580-M582 PolarHBondContact O-N 3.32Å; C580-H593 PolarHBondContact SG-CE1 3.36Å; C580-H593 PolarHBondContact SG-NE2 2.82Å; C580-H593 VanDerWaalsContact SG-NE2 3.4Å; C580-H597 PolarHBondContact SG-NE2 3.34Å
581	S	80.6	Confident	81.6	Confident	125 Å²	125	83.9 Å²	83.9	87%	0.874	43%	0.433	S	S	*	.	S	Bend	trans	-70.1	5.6	-177	-40.1	0	0	0	0	115.2
582	M	80.6	Confident	81.8	Confident	100 Å²	100	84.7 Å²	84.7	49%	0.493	44%	0.436	S	S	.	.			trans	-70.8	134.5	179.2	-66.9	-165.8	77.2	0	0	111.5	C577 C580 F584	C577-M582 WeakPolarHBondContact CB-O 3.44Å; C577-M582 PolarHBondContact N-O 3.4Å; C580-M582 PolarHBondContact O-N 3.32Å; M582-F584 HydrophobicContact CB-CE2 3.65Å; M582-F584 HydrophobicContact CB-CZ 3.72Å; M582-F584 HydrophobicContact CE-CE1 4.15Å; M582-F584 HydrophobicContact CE-CZ 3.86Å; M582-F584 HydrophobicContact SD-CZ 4.16Å
583	R	84.9	Confident	82	Confident	141 Å²	141	80.2 Å²	80.2	53%	0.532	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.6	176.5	-50.9	-177.6	58.2	154.6	-0.8	109.8	K573 Y575 T576	K573-R583 HydrophobicContact CB-CB 3.43Å; K573-R583 VanDerWaalsContact CB-CB 3.43Å; K573-R583 HydrophobicContact CD-CB 4.15Å; K573-R583 HydrophobicContact CG-CB 4.33Å; K573-R583 PolarHBondContact O-NE 3.47Å; K573-R583 PolarHBondContact O-NH2 2.82Å; Y575-R583 CarbonylContact O-C 3.58Å; Y575-R583 WeakPolarHBondContact O-CA 3.17Å; T576-R583 HydrophobicContact CG2-CG 4.02Å
584	F	82.9	Confident	82	Confident	32 Å²	32	77.1 Å²	77.1	14%	0.14	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.8	-172.4	-56.8	-93.6	0	0	0	111.4	K573 Y575 M582 N589 W590 H593	K573-F584 CarbonylContact C-O 3.16Å; K573-F584 WeakPolarHBondContact CA-O 3.2Å; Y575-F584 PolarHBondContact N-O 3.38Å; Y575-F584 PolarHBondContact O-N 3.16Å; M582-F584 HydrophobicContact CB-CE2 3.65Å; M582-F584 HydrophobicContact CB-CZ 3.72Å; M582-F584 HydrophobicContact CE-CE1 4.15Å; M582-F584 HydrophobicContact CE-CZ 3.86Å; M582-F584 HydrophobicContact SD-CZ 4.16Å; F584-N589 HydrophobicContact CD1-CB 4.2Å; F584-W590 HydrophobicContact CB-CB 4.14Å; F584-W590 HydrophobicContact CD2-CB 4.22Å; F584-W590 HydrophobicContact CG-CB 4.28Å; F584-H593 HydrophobicContact CE1-CB 3.99Å; F584-H593 HydrophobicContact CE2-CB 3.93Å; F584-H593 AromaticContact CE2-CD2 3.27Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.47Å; F584-H593 AromaticContact CE2-CG 3.55Å; F584-H593 AromaticContact CE2-NE2 3.78Å; F584-H593 HydrophobicContact CZ-CB 3.51Å; F584-H593 AromaticContact CZ-CD2 3.48Å; F584-H593 VanDerWaalsContact CZ-CD2 3.48Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.47Å; F584-H593 AromaticContact CZ-CG 3.24Å; F584-H593 AromaticContact CZ-ND1 3.61Å; F584-H593 AromaticContact CZ-NE2 3.94Å
585	T	83.2	Confident	81.7	Confident	18 Å²	18	80 Å²	80	11%	0.11	41%	0.407	C	S	.	.	S	Bend	trans	-81.6	-17.9	176	54.4	0	0	0	0	113.2	N567 L568 K573	N567-T585 HydrophobicContact CB-CG2 3.89Å; N567-T585 PolarHBondContact ND2-O 3.18Å; N567-T585 WeakPolarHBondContact O-CG2 3.25Å; L568-T585 HydrophobicContact CD2-CG2 3.8Å; L568-T585 HydrophobicContact CG-CG2 4.29Å; K573-T585 HydrophobicContact CG-CG2 3.86Å
586	S	80.7	Confident	81.1	Confident	13 Å²	13	85 Å²	85	9%	0.091	43%	0.426	C	S	.	.	S	Bend	trans	-132.9	140.5	-175.6	83.5	0	0	0	0	113.9	Y575 N589 W590	Y575-S586 VanDerWaalsContact CD2-C 3.44Å; S586-N589 PolarHBondContact O-N 3.32Å; S586-N589 WeakPolarHBondContact OG-CB 3.48Å; S586-N589 PolarHBondContact OG-ND2 2.88Å; S586-W590 PolarHBondContact O-N 2.87Å; S586-W590 VanDerWaalsContact O-N 3.1Å
587	R	83.2	Confident	80.7	Confident	154 Å²	154	83.9 Å²	83.9	58%	0.581	42%	0.416	S	S	*	.	H	α-helix	trans	-57.5	-41.8	177.2	-168.4	171.6	173.4	84.2	-11	114.8	Y575 K591	Y575-R587 HydrophobicContact CD1-CB 4.48Å; Y575-R587 HydrophobicContact CE1-CB 3.89Å; Y575-R587 HydrophobicContact CE1-CG 4.13Å; Y575-R587 HydrophobicContact CE2-CB 4.14Å; Y575-R587 VanDerWaalsContact CE2-N 3.26Å; R587-K591 WeakPolarHBondContact O-CB 3.39Å; R587-K591 PolarHBondContact O-N 3.35Å
588	P	81.2	Confident	79.8	Confident	90 Å²	90	86 Å²	86	58%	0.584	43%	0.43	S	S	*	.	H	α-helix	trans	-67.2	-38.8	178.2	24.8	-33.7	0	0	0	112.5	K591 A592	P588-K591 PolarHBondContact O-N 3.04Å; P588-A592 WeakPolarHBondContact O-CB 3.47Å; P588-A592 PolarHBondContact O-N 2.74Å
589	N	82.2	Confident	78.8	Confident	93 Å²	93	85.4 Å²	85.4	50%	0.497	43%	0.431	S	S	.	.	H	α-helix	trans	-67.3	-41.8	178.8	-66.8	3.2	0	0	0	110.9	F584 S586 A592 H593	F584-N589 HydrophobicContact CD1-CB 4.2Å; S586-N589 PolarHBondContact O-N 3.32Å; S586-N589 WeakPolarHBondContact OG-CB 3.48Å; S586-N589 PolarHBondContact OG-ND2 2.88Å; N589-A592 PolarHBondContact O-N 2.74Å; N589-H593 WeakPolarHBondContact O-CB 3.46Å; N589-H593 PolarHBondContact O-N 3.32Å
590	W	87.4	Confident	77.8	Confident	64 Å²	64	84.2 Å²	84.2	24%	0.242	43%	0.427	C	S	.	.	H	α-helix	trans	-58.3	-45.4	170	172.4	86.7	0	0	0	112.5	Y575 T576 F584 S586 A592 H593 M594	Y575-W590 HydrophobicContact CG-CB 4.21Å; Y575-W590 HydrophobicContact CG-CG 4.37Å; T576-W590 PolarHBondContact O-NE1 2.91Å; F584-W590 HydrophobicContact CB-CB 4.14Å; F584-W590 HydrophobicContact CD2-CB 4.22Å; F584-W590 HydrophobicContact CG-CB 4.28Å; S586-W590 PolarHBondContact O-N 2.87Å; S586-W590 VanDerWaalsContact O-N 3.1Å; W590-A592 VanDerWaalsContact C-N 3.33Å; W590-A592 PolarHBondContact O-N 3Å; W590-H593 PolarHBondContact O-N 2.95Å; W590-M594 HydrophobicContact CD2-CG 4.27Å; W590-M594 HydrophobicContact CZ2-CE 3.73Å; W590-M594 HydrophobicContact CZ2-CG 4.2Å; W590-M594 WeakPolarHBondContact O-CG 3.34Å; W590-M594 PolarHBondContact O-N 3.39Å
591	K	82.2	Confident	77	Confident	137 Å²	137	87 Å²	87	60%	0.596	43%	0.434	S	S	*	.	H	α-helix	trans	-67.6	-32.6	179	-167.1	172.2	-176.6	176.4	0	112.4	R587 P588 K595	R587-K591 WeakPolarHBondContact O-CB 3.39Å; R587-K591 PolarHBondContact O-N 3.35Å; P588-K591 PolarHBondContact O-N 3.04Å; K591-K595 PolarHBondContact O-N 3.14Å
592	A	81.3	Confident	76.6	Confident	62 Å²	62	87.1 Å²	87.1	51%	0.512	42%	0.421	S	S	.	.	H	α-helix	trans	-68.5	-42.5	171.8	0	0	0	0	0	111.7	P588 N589 W590 K595	P588-A592 WeakPolarHBondContact O-CB 3.47Å; P588-A592 PolarHBondContact O-N 2.74Å; N589-A592 PolarHBondContact O-N 2.74Å; W590-A592 VanDerWaalsContact C-N 3.33Å; W590-A592 PolarHBondContact O-N 3Å; A592-K595 WeakPolarHBondContact O-CB 3.41Å; A592-K595 PolarHBondContact O-N 2.89Å
593	H	83.7	Confident	76.3	Confident	24 Å²	24	85.5 Å²	85.5	11%	0.111	41%	0.411	C	S	.	.	H	α-helix	trans	-65.1	-36.6	174.2	170	75.6	0	0	0	113	C577 C580 F584 N589 W590 K595 W596 H597	C577-H593 VanDerWaalsContact CB-NE2 3.31Å; C577-H593 WeakPolarHBondContact CB-NE2 3.49Å; C577-H593 PolarHBondContact SG-NE2 3.22Å; C580-H593 PolarHBondContact SG-CE1 3.36Å; C580-H593 PolarHBondContact SG-NE2 2.82Å; C580-H593 VanDerWaalsContact SG-NE2 3.4Å; F584-H593 HydrophobicContact CE1-CB 3.99Å; F584-H593 HydrophobicContact CE2-CB 3.93Å; F584-H593 AromaticContact CE2-CD2 3.27Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.47Å; F584-H593 AromaticContact CE2-CG 3.55Å; F584-H593 AromaticContact CE2-NE2 3.78Å; F584-H593 HydrophobicContact CZ-CB 3.51Å; F584-H593 AromaticContact CZ-CD2 3.48Å; F584-H593 VanDerWaalsContact CZ-CD2 3.48Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.47Å; F584-H593 AromaticContact CZ-CG 3.24Å; F584-H593 AromaticContact CZ-ND1 3.61Å; F584-H593 AromaticContact CZ-NE2 3.94Å; N589-H593 WeakPolarHBondContact O-CB 3.46Å; N589-H593 PolarHBondContact O-N 3.32Å; W590-H593 PolarHBondContact O-N 2.95Å; H593-K595 PolarHBondContact O-N 3.29Å; H593-W596 WeakPolarHBondContact O-CA 3.42Å; H593-W596 WeakPolarHBondContact O-CB 3.3Å; H593-W596 PolarHBondContact O-N 2.9Å; H593-H597 AromaticContact CE1-CD2 3.78Å; H593-H597 AromaticContact CE1-NE2 3.34Å; H593-H597 PolarHBondContact CE1-NE2 3.46Å; H593-H597 VanDerWaalsContact CE1-NE2 3.34Å; H593-H597 AromaticContact NE2-CD2 3.54Å; H593-H597 AromaticContact NE2-NE2 3.28Å; H593-H597 PolarHBondContact NE2-NE2 2.9Å; H593-H597 PolarHBondContact O-N 3.26Å
594	M	79.5	Confident	75.9	Confident	38 Å²	38	81.2 Å²	81.2	19%	0.187	41%	0.406	C	S	.	.	H	α-helix	trans	-61.9	-30.6	173.6	-77.1	-64.8	-171.1	0	0	112.9	C577 F579 W590 W596 H597 S598	C577-M594 HydrophobicContact CB-CE 4.43Å; F579-M594 HydrophobicContact CD2-SD 4.03Å; F579-M594 HydrophobicContact CE2-SD 4.17Å; W590-M594 HydrophobicContact CD2-CG 4.27Å; W590-M594 HydrophobicContact CZ2-CE 3.73Å; W590-M594 HydrophobicContact CZ2-CG 4.2Å; W590-M594 WeakPolarHBondContact O-CG 3.34Å; W590-M594 PolarHBondContact O-N 3.39Å; M594-W596 PolarHBondContact O-N 3.47Å; M594-H597 PolarHBondContact O-N 2.9Å; M594-H597 VanDerWaalsContact O-N 3.15Å; M594-S598 PolarHBondContact O-N 3.06Å; M594-S598 VanDerWaalsContact O-N 3.11Å
595	K	76.2	Confident	75.7	Confident	131 Å²	131	80.2 Å²	80.2	57%	0.57	40%	0.403	S	S	*	.	H	α-helix	trans	-67.1	-18.7	169.1	-65.4	-175	174.6	-167.4	0	113.4	K591 A592 H593 K613	K591-K595 PolarHBondContact O-N 3.14Å; A592-K595 WeakPolarHBondContact O-CB 3.41Å; A592-K595 PolarHBondContact O-N 2.89Å; H593-K595 PolarHBondContact O-N 3.29Å; K595-K613 WeakPolarHBondContact O-CD 3.46Å
596	W	68.1	Low	75.3	Confident	178 Å²	178	84.1 Å²	84.1	67%	0.674	43%	0.429	S	S	*	.	H	α-helix	trans	-74.1	-31.5	171.7	-166.7	87.4	0	0	0	111.7	H593 M594 K613	H593-W596 WeakPolarHBondContact O-CA 3.42Å; H593-W596 WeakPolarHBondContact O-CB 3.3Å; H593-W596 PolarHBondContact O-N 2.9Å; M594-W596 PolarHBondContact O-N 3.47Å; W596-K613 PolarHBondContact O-NZ 3Å
597	H	74.2	Confident	75.1	Confident	46 Å²	46	87.5 Å²	87.5	21%	0.213	45%	0.445	C	S	.	.	H	α-helix	trans	-80.4	-31.9	175.3	-73.5	-70.9	0	0	0	114.2	C577 F579 C580 H593 M594 S599	C577-H597 PolarHBondContact SG-CD2 3.06Å; C577-H597 PolarHBondContact SG-NE2 3.44Å; C577-H597 VanDerWaalsContact SG-NE2 3.43Å; F579-H597 HydrophobicContact CB-CB 4.18Å; F579-H597 VanDerWaalsContact CB-CE1 3.47Å; F579-H597 WeakPolarHBondContact CB-CE1 3.32Å; F579-H597 VanDerWaalsContact CB-ND1 3.25Å; F579-H597 WeakPolarHBondContact CB-ND1 3.38Å; F579-H597 HydrophobicContact CD2-CB 3.67Å; F579-H597 AromaticContact CD2-CG 3.85Å; F579-H597 HydrophobicContact CE2-CB 4.24Å; F579-H597 HydrophobicContact CG-CB 4.02Å; F579-H597 AromaticContact CG-CG 3.92Å; F579-H597 AromaticContact CG-ND1 4Å; C580-H597 PolarHBondContact SG-NE2 3.34Å; H593-H597 AromaticContact CE1-CD2 3.78Å; H593-H597 AromaticContact CE1-NE2 3.34Å; H593-H597 PolarHBondContact CE1-NE2 3.46Å; H593-H597 VanDerWaalsContact CE1-NE2 3.34Å; H593-H597 AromaticContact NE2-CD2 3.54Å; H593-H597 AromaticContact NE2-NE2 3.28Å; H593-H597 PolarHBondContact NE2-NE2 2.9Å; H593-H597 PolarHBondContact O-N 3.26Å; M594-H597 PolarHBondContact O-N 2.9Å; M594-H597 VanDerWaalsContact O-N 3.15Å; H597-S599 PolarHBondContact O-N 3.47Å
598	S	65.3	Low	74.9	Confident	56 Å²	56	82 Å²	82	39%	0.392	43%	0.43	S	S	.	.	S	Bend	trans	-61.4	123.2	164.2	175.5	0	0	0	0	109.5	M594 E600 K613	M594-S598 PolarHBondContact O-N 3.06Å; M594-S598 VanDerWaalsContact O-N 3.11Å; S598-E600 PolarHBondContact O-N 2.9Å; S598-K613 PolarHBondContact O-NZ 3.05Å
599	S	59	Low	74.6	Confident	101 Å²	101	85.9 Å²	85.9	71%	0.706	45%	0.446	S	S	*	.			trans	-69.2	-17	-178.8	45.5	0	0	0	0	113.3	H597 K601	H597-S599 PolarHBondContact O-N 3.47Å; S599-K601 PolarHBondContact O-N 2.97Å
600	E	57.2	Low	74.4	Confident	118 Å²	118	84.4 Å²	84.4	55%	0.551	44%	0.44	S	S	*	.			trans	-62	97.4	-175.5	-68.2	-173.4	-174.3	0	0	113.8	S598 Q602	S598-E600 PolarHBondContact O-N 2.9Å; E600-Q602 VanDerWaalsContact C-N 3.29Å; E600-Q602 HydrophobicContact CB-CG 3.93Å; E600-Q602 PolarHBondContact O-N 3.33Å; E600-Q602 VanDerWaalsContact O-N 3.1Å; E600-Q602 PolarHBondContact OE2-NE2 3.09Å
601	K	62.8	Low	74	Confident	107 Å²	107	87.7 Å²	87.7	47%	0.465	45%	0.453	S	S	.	.			trans	-79.3	80	161.2	-69.9	166.6	153.6	-164.5	0	109.1	S599 F603 R611 F612 K613	S599-K601 PolarHBondContact O-N 2.97Å; K601-F603 VanDerWaalsContact C-N 3.27Å; K601-F603 PolarHBondContact O-N 3.47Å; K601-R611 HydrophobicContact CB-CB 3.51Å; K601-R611 HydrophobicContact CD-CB 4.13Å; K601-R611 WeakPolarHBondContact CD-O 3.4Å; K601-R611 VanDerWaalsContact CE-O 3.25Å; K601-R611 WeakPolarHBondContact CE-O 3.35Å; K601-R611 HydrophobicContact CG-CB 4.39Å; K601-R611 WeakPolarHBondContact CG-O 3.32Å; K601-R611 PolarHBondContact O-NE 3.14Å; K601-R611 PolarHBondContact O-NH2 3.34Å; K601-F612 CarbonylContact C-O 3.43Å; K601-F612 VanDerWaalsContact C-O 3.29Å; K601-F612 WeakPolarHBondContact CA-O 3.27Å; K601-K613 HydrophobicContact CG-CG 3.92Å
602	Q	73.6	Confident	73.9	Confident	126 Å²	126	83.2 Å²	83.2	59%	0.589	43%	0.433	S	S	*	.			trans	-65.5	-24	-174	-64.7	-176.7	-17.7	0	0	114.1	E600 F612	E600-Q602 VanDerWaalsContact C-N 3.29Å; E600-Q602 HydrophobicContact CB-CG 3.93Å; E600-Q602 PolarHBondContact O-N 3.33Å; E600-Q602 VanDerWaalsContact O-N 3.1Å; E600-Q602 PolarHBondContact OE2-NE2 3.09Å; Q602-F612 PolarHBondContact N-O 3.01Å
603	F	72.7	Confident	73.6	Confident	67 Å²	67	83.3 Å²	83.3	29%	0.294	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	99.7	-173.8	-60.4	-82	0	0	0	111	K601 R611 F612 K615 L618	K601-F603 VanDerWaalsContact C-N 3.27Å; K601-F603 PolarHBondContact O-N 3.47Å; F603-R611 CarbonylContact O-C 3.42Å; F603-R611 WeakPolarHBondContact O-CA 3.45Å; F603-F612 HydrophobicContact CB-CB 4.33Å; F603-F612 PolarHBondContact N-O 3.42Å; F603-F612 PolarHBondContact O-N 2.92Å; F603-K615 HydrophobicContact CD1-CB 4.09Å; F603-K615 HydrophobicContact CD1-CG 4.26Å; F603-K615 HydrophobicContact CE1-CB 3.85Å; F603-K615 HydrophobicContact CE1-CG 4.22Å; F603-K615 HydrophobicContact CZ-CB 4.18Å; F603-L618 HydrophobicContact CB-CB 4.03Å; F603-L618 HydrophobicContact CB-CD2 3.89Å; F603-L618 HydrophobicContact CD1-CD2 4.45Å
604	A	76.3	Confident	73.4	Confident	50 Å²	50	84.6 Å²	84.6	41%	0.413	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.9	173.2	0	0	0	0	0	111.7	R611 L618	A604-R611 HydrophobicContact CB-CG 3.98Å; A604-L618 WeakPolarHBondContact O-CD1 3.28Å; A604-L618 WeakPolarHBondContact O-CD2 3.45Å
605	C	79.4	Confident	73.5	Confident	11 Å²	11	88.2 Å²	88.2	7%	0.074	45%	0.446	C	S	.	.			trans	-74.2	138.3	166.9	-171.6	0	0	0	0	110.1	D607 C608 T610 F612 L618 H621	C605-D607 VanDerWaalsContact C-N 3.26Å; C605-D607 PolarHBondContact SG-N 3.12Å; C605-D607 VanDerWaalsContact SG-N 3.35Å; C605-C608 WeakPolarHBondContact CB-O 3.38Å; C605-T610 PolarHBondContact N-O 2.78Å; C605-F612 HydrophobicContact CB-CE2 4.5Å; C605-L618 HydrophobicContact CB-CD1 4.02Å; C605-H621 WeakPolarHBondContact CB-NE2 3.4Å; C605-H621 PolarHBondContact SG-CD2 2.94Å; C605-H621 PolarHBondContact SG-NE2 2.68Å
606	P	75.9	Confident	73.8	Confident	101 Å²	101	88.9 Å²	88.9	66%	0.656	45%	0.451	S	S	*	.	S	Bend	trans	-72.2	-23.3	170.3	29.9	-34.6	0	0	0	112.3	V622	P606-V622 HydrophobicContact CG-CG2 4.48Å
607	D	75.8	Confident	74.5	Confident	83 Å²	83	83.3 Å²	83.3	44%	0.444	44%	0.435	S	S	.	.	S	Bend	trans	-100.6	-6.8	-171	-49.4	-56	0	0	0	113.2	C605 H625	C605-D607 VanDerWaalsContact C-N 3.26Å; C605-D607 PolarHBondContact SG-N 3.12Å; C605-D607 VanDerWaalsContact SG-N 3.35Å; D607-H625 HydrophobicContact CB-CB 3.81Å; D607-H625 VanDerWaalsContact CB-CG 3.42Å; D607-H625 VanDerWaalsContact CB-ND1 3.33Å; D607-H625 WeakPolarHBondContact CB-ND1 3.39Å; D607-H625 PolarHBondContact O-CE1 2.86Å
608	C	78.1	Confident	75	Confident	38 Å²	38	82.1 Å²	82.1	26%	0.257	43%	0.43	S	S	.	.	S	Bend	trans	-163.3	168.8	167.9	72.1	0	0	0	0	113.3	C605 T610 H621 H625	C605-C608 WeakPolarHBondContact CB-O 3.38Å; C608-T610 PolarHBondContact O-N 2.96Å; C608-T610 PolarHBondContact SG-OG1 2.81Å; C608-H621 PolarHBondContact SG-NE2 3.25Å; C608-H625 PolarHBondContact SG-NE2 3.24Å
609	N	74.8	Confident	75.7	Confident	173 Å²	173	82.7 Å²	82.7	93%	0.925	43%	0.429	S	S	*	.	S	Bend	trans	-70.5	8.3	179.4	-75.8	-11.9	0	0	0	115.8
610	T	78.2	Confident	76.7	Confident	61 Å²	61	79.2 Å²	79.2	37%	0.374	40%	0.403	S	S	.	.			trans	-75.7	141.2	176.3	73.8	0	0	0	0	111.6	C605 C608 F612 H621	C605-T610 PolarHBondContact N-O 2.78Å; C608-T610 PolarHBondContact O-N 2.96Å; C608-T610 PolarHBondContact SG-OG1 2.81Å; T610-F612 WeakPolarHBondContact OG1-CE2 3.23Å; T610-F612 VanDerWaalsContact OG1-CZ 3.28Å; T610-F612 WeakPolarHBondContact OG1-CZ 3.45Å; T610-H621 PolarHBondContact OG1-CE1 3.05Å; T610-H621 PolarHBondContact OG1-NE2 3.36Å
611	R	79.9	Confident	77.9	Confident	134 Å²	134	75.2 Å²	75.2	51%	0.506	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.9	-177.3	-54.4	179.8	60.5	139.8	-0.5	111.4	K601 F603 A604	K601-R611 HydrophobicContact CB-CB 3.51Å; K601-R611 HydrophobicContact CD-CB 4.13Å; K601-R611 WeakPolarHBondContact CD-O 3.4Å; K601-R611 VanDerWaalsContact CE-O 3.25Å; K601-R611 WeakPolarHBondContact CE-O 3.35Å; K601-R611 HydrophobicContact CG-CB 4.39Å; K601-R611 WeakPolarHBondContact CG-O 3.32Å; K601-R611 PolarHBondContact O-NE 3.14Å; K601-R611 PolarHBondContact O-NH2 3.34Å; F603-R611 CarbonylContact O-C 3.42Å; F603-R611 WeakPolarHBondContact O-CA 3.45Å; A604-R611 HydrophobicContact CB-CG 3.98Å
612	F	79.4	Confident	78.7	Confident	43 Å²	43	70.6 Å²	70.6	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	155.7	-171.3	-57.2	-85.2	0	0	0	112.1	K601 Q602 F603 C605 T610 N617 L618 H621	K601-F612 CarbonylContact C-O 3.43Å; K601-F612 VanDerWaalsContact C-O 3.29Å; K601-F612 WeakPolarHBondContact CA-O 3.27Å; Q602-F612 PolarHBondContact N-O 3.01Å; F603-F612 HydrophobicContact CB-CB 4.33Å; F603-F612 PolarHBondContact N-O 3.42Å; F603-F612 PolarHBondContact O-N 2.92Å; C605-F612 HydrophobicContact CB-CE2 4.5Å; T610-F612 WeakPolarHBondContact OG1-CE2 3.23Å; T610-F612 VanDerWaalsContact OG1-CZ 3.28Å; T610-F612 WeakPolarHBondContact OG1-CZ 3.45Å; F612-N617 HydrophobicContact CB-CB 4.2Å; F612-N617 HydrophobicContact CD1-CB 3.83Å; F612-N617 HydrophobicContact CG-CB 4.26Å; F612-L618 HydrophobicContact CB-CB 4.38Å; F612-L618 HydrophobicContact CD2-CB 4.02Å; F612-L618 HydrophobicContact CD2-CD1 4.15Å; F612-L618 HydrophobicContact CE2-CD1 4.42Å; F612-L618 HydrophobicContact CG-CB 4.39Å; F612-H621 HydrophobicContact CE1-CB 4.09Å; F612-H621 HydrophobicContact CE2-CB 3.93Å; F612-H621 AromaticContact CE2-CD2 3.29Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.29Å; F612-H621 AromaticContact CE2-CG 3.62Å; F612-H621 AromaticContact CE2-NE2 3.97Å; F612-H621 HydrophobicContact CZ-CB 3.54Å; F612-H621 AromaticContact CZ-CD2 3.44Å; F612-H621 VanDerWaalsContact CZ-CD2 3.44Å; F612-H621 WeakPolarHBondContact CZ-CD2 3.42Å; F612-H621 AromaticContact CZ-CG 3.28Å; F612-H621 AromaticContact CZ-ND1 3.81Å
613	K	74.6	Confident	78.8	Confident	64 Å²	64	67.6 Å²	67.6	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	-92.1	-9.5	179	-57.3	-161.4	-179.6	-164.8	0	113.9	K595 W596 S598 K601	K595-K613 WeakPolarHBondContact O-CD 3.46Å; W596-K613 PolarHBondContact O-NZ 3Å; S598-K613 PolarHBondContact O-NZ 3.05Å; K601-K613 HydrophobicContact CG-CG 3.92Å
614	T	79.5	Confident	78.8	Confident	50 Å²	50	67.7 Å²	67.7	31%	0.307	36%	0.357	S	S	.	.	S	Bend	trans	-140.3	145.8	176	59.3	0	0	0	0	110.5	E616 N617 L618	T614-E616 VanDerWaalsContact C-N 3.28Å; T614-E616 PolarHBondContact O-N 3.48Å; T614-N617 PolarHBondContact O-N 3.38Å; T614-N617 PolarHBondContact OG1-ND2 3.47Å; T614-L618 PolarHBondContact O-N 2.84Å
615	K	83	Confident	78.7	Confident	114 Å²	114	68.9 Å²	68.9	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-39.2	178.1	-163	-165.9	175.9	-96.5	0	112.3	F603 N617 L618 D619	F603-K615 HydrophobicContact CD1-CB 4.09Å; F603-K615 HydrophobicContact CD1-CG 4.26Å; F603-K615 HydrophobicContact CE1-CB 3.85Å; F603-K615 HydrophobicContact CE1-CG 4.22Å; F603-K615 HydrophobicContact CZ-CB 4.18Å; K615-N617 VanDerWaalsContact C-N 3.3Å; K615-N617 PolarHBondContact O-N 2.92Å; K615-L618 CarbonylContact O-C 3.49Å; K615-L618 WeakPolarHBondContact O-CA 3.27Å; K615-L618 WeakPolarHBondContact O-CB 3.41Å; K615-L618 PolarHBondContact O-N 3.38Å; K615-D619 IonicContact NZ-OD1 3.98Å; K615-D619 PolarHBondContact NZ-OD1 3.35Å; K615-D619 IonicContact NZ-OD2 3.17Å; K615-D619 PolarHBondContact NZ-OD2 2.83Å; K615-D619 PolarHBondContact O-N 2.62Å
616	E	82.1	Confident	78.1	Confident	145 Å²	145	76.4 Å²	76.4	68%	0.678	38%	0.381	S	S	*	.	H	α-helix	trans	-57.7	-36.4	177.5	-176.9	176.8	-149.5	0	0	113.9	T614 T620	T614-E616 VanDerWaalsContact C-N 3.28Å; T614-E616 PolarHBondContact O-N 3.48Å; E616-T620 PolarHBondContact O-N 3.13Å; E616-T620 VanDerWaalsContact O-N 3.09Å; E616-T620 PolarHBondContact O-OG1 3Å
617	N	82	Confident	77.4	Confident	61 Å²	61	79.8 Å²	79.8	33%	0.326	39%	0.388	S	S	.	.	H	α-helix	trans	-77.1	-26.8	173.5	-78.5	-61.2	0	0	0	112.7	F612 T614 K615 H621 R642	F612-N617 HydrophobicContact CB-CB 4.2Å; F612-N617 HydrophobicContact CD1-CB 3.83Å; F612-N617 HydrophobicContact CG-CB 4.26Å; T614-N617 PolarHBondContact O-N 3.38Å; T614-N617 PolarHBondContact OG1-ND2 3.47Å; K615-N617 VanDerWaalsContact C-N 3.3Å; K615-N617 PolarHBondContact O-N 2.92Å; N617-H621 WeakPolarHBondContact O-CB 3.35Å; N617-H621 PolarHBondContact O-N 3.18Å; N617-R642 PolarHBondContact OD1-NH2 3.27Å
618	L	85	Confident	76.3	Confident	22 Å²	22	85.1 Å²	85.1	12%	0.115	40%	0.402	C	S	.	.	H	α-helix	trans	-69.9	-49	168.3	167.4	63.6	0	0	0	110.8	F603 A604 C605 F612 T614 K615 T620 H621 V622	F603-L618 HydrophobicContact CB-CB 4.03Å; F603-L618 HydrophobicContact CB-CD2 3.89Å; F603-L618 HydrophobicContact CD1-CD2 4.45Å; A604-L618 WeakPolarHBondContact O-CD1 3.28Å; A604-L618 WeakPolarHBondContact O-CD2 3.45Å; C605-L618 HydrophobicContact CB-CD1 4.02Å; F612-L618 HydrophobicContact CB-CB 4.38Å; F612-L618 HydrophobicContact CD2-CB 4.02Å; F612-L618 HydrophobicContact CD2-CD1 4.15Å; F612-L618 HydrophobicContact CE2-CD1 4.42Å; F612-L618 HydrophobicContact CG-CB 4.39Å; T614-L618 PolarHBondContact O-N 2.84Å; K615-L618 CarbonylContact O-C 3.49Å; K615-L618 WeakPolarHBondContact O-CA 3.27Å; K615-L618 WeakPolarHBondContact O-CB 3.41Å; K615-L618 PolarHBondContact O-N 3.38Å; L618-T620 PolarHBondContact O-N 3.33Å; L618-H621 PolarHBondContact O-N 3.14Å; L618-V622 HydrophobicContact CD1-CG2 3.67Å; L618-V622 HydrophobicContact CG-CG2 4.32Å; L618-V622 WeakPolarHBondContact O-CG2 3.46Å; L618-V622 PolarHBondContact O-N 2.67Å
619	D	81.5	Confident	75.5	Confident	67 Å²	67	88.2 Å²	88.2	36%	0.358	41%	0.411	S	S	.	.	H	α-helix	trans	-59.2	-49	-177.6	-68	-38.2	0	0	0	110.2	K615 H621 V622 E623	K615-D619 IonicContact NZ-OD1 3.98Å; K615-D619 PolarHBondContact NZ-OD1 3.35Å; K615-D619 IonicContact NZ-OD2 3.17Å; K615-D619 PolarHBondContact NZ-OD2 2.83Å; K615-D619 PolarHBondContact O-N 2.62Å; D619-H621 VanDerWaalsContact C-N 3.27Å; D619-H621 PolarHBondContact O-N 2.91Å; D619-V622 PolarHBondContact O-N 2.78Å; D619-E623 PolarHBondContact O-N 3.19Å; D619-E623 VanDerWaalsContact O-N 3.15Å
620	T	79.8	Confident	75.2	Confident	29 Å²	29	83.5 Å²	83.5	18%	0.178	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-23.3	175.1	50.8	0	0	0	0	114.3	E616 L618 R642	E616-T620 PolarHBondContact O-N 3.13Å; E616-T620 VanDerWaalsContact O-N 3.09Å; E616-T620 PolarHBondContact O-OG1 3Å; L618-T620 PolarHBondContact O-N 3.33Å; T620-R642 PolarHBondContact OG1-NH2 2.9Å
621	H	82.6	Confident	74.8	Confident	33 Å²	33	83.6 Å²	83.6	15%	0.153	39%	0.385	C	S	.	.	H	α-helix	trans	-81.3	-36.6	173.7	166.5	69.6	0	0	0	112.6	C605 C608 T610 F612 N617 L618 D619 E623 V624 H625	C605-H621 WeakPolarHBondContact CB-NE2 3.4Å; C605-H621 PolarHBondContact SG-CD2 2.94Å; C605-H621 PolarHBondContact SG-NE2 2.68Å; C608-H621 PolarHBondContact SG-NE2 3.25Å; T610-H621 PolarHBondContact OG1-CE1 3.05Å; T610-H621 PolarHBondContact OG1-NE2 3.36Å; F612-H621 HydrophobicContact CE1-CB 4.09Å; F612-H621 HydrophobicContact CE2-CB 3.93Å; F612-H621 AromaticContact CE2-CD2 3.29Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.29Å; F612-H621 AromaticContact CE2-CG 3.62Å; F612-H621 AromaticContact CE2-NE2 3.97Å; F612-H621 HydrophobicContact CZ-CB 3.54Å; F612-H621 AromaticContact CZ-CD2 3.44Å; F612-H621 VanDerWaalsContact CZ-CD2 3.44Å; F612-H621 WeakPolarHBondContact CZ-CD2 3.42Å; F612-H621 AromaticContact CZ-CG 3.28Å; F612-H621 AromaticContact CZ-ND1 3.81Å; N617-H621 WeakPolarHBondContact O-CB 3.35Å; N617-H621 PolarHBondContact O-N 3.18Å; L618-H621 PolarHBondContact O-N 3.14Å; D619-H621 VanDerWaalsContact C-N 3.27Å; D619-H621 PolarHBondContact O-N 2.91Å; H621-E623 PolarHBondContact O-N 2.92Å; H621-V624 WeakPolarHBondContact O-CA 3.46Å; H621-V624 VanDerWaalsContact O-CB 3.26Å; H621-V624 WeakPolarHBondContact O-CB 3.21Å; H621-V624 PolarHBondContact O-N 2.92Å; H621-H625 AromaticContact CE1-CD2 3.45Å; H621-H625 PolarHBondContact CE1-CD2 3.34Å; H621-H625 VanDerWaalsContact CE1-CD2 3.45Å; H621-H625 AromaticContact CE1-NE2 3.21Å; H621-H625 PolarHBondContact CE1-NE2 2.64Å; H621-H625 AromaticContact NE2-CD2 3.34Å; H621-H625 PolarHBondContact NE2-CD2 2.7Å; H621-H625 VanDerWaalsContact NE2-CD2 3.34Å; H621-H625 AromaticContact NE2-NE2 3.2Å; H621-H625 PolarHBondContact NE2-NE2 3.24Å; H621-H625 VanDerWaalsContact NE2-NE2 3.2Å; H621-H625 PolarHBondContact O-N 2.87Å
622	V	79.6	Confident	74.1	Confident	10 Å²	10	78.1 Å²	78.1	6%	0.061	37%	0.37	C	S	.	.	H	α-helix	trans	-66.4	-26.8	173.9	171.1	0	0	0	0	111.3	P606 L618 D619 V624 H625 R626	P606-V622 HydrophobicContact CG-CG2 4.48Å; L618-V622 HydrophobicContact CD1-CG2 3.67Å; L618-V622 HydrophobicContact CG-CG2 4.32Å; L618-V622 WeakPolarHBondContact O-CG2 3.46Å; L618-V622 PolarHBondContact O-N 2.67Å; D619-V622 PolarHBondContact O-N 2.78Å; V622-V624 VanDerWaalsContact C-N 3.3Å; V622-V624 PolarHBondContact O-N 3.48Å; V622-H625 PolarHBondContact O-N 3.05Å; V622-R626 WeakPolarHBondContact O-CG 3.37Å; V622-R626 PolarHBondContact O-N 3.23Å
623	E	75.5	Confident	73.8	Confident	64 Å²	64	76.2 Å²	76.2	30%	0.299	36%	0.363	S	S	.	.	H	α-helix	trans	-62.3	-34.8	168.4	-74.9	177.8	-166.1	0	0	112.7	D619 H621 R626 Q627 R628	D619-E623 PolarHBondContact O-N 3.19Å; D619-E623 VanDerWaalsContact O-N 3.15Å; H621-E623 PolarHBondContact O-N 2.92Å; E623-R626 PolarHBondContact O-N 3Å; E623-Q627 PolarHBondContact O-N 3.37Å; E623-R628 PolarHBondContact O-N 3.46Å
624	V	72.9	Confident	73.5	Confident	69 Å²	69	79.1 Å²	79.1	42%	0.418	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-45	172.5	-173.1	0	0	0	0	111	H621 V622 R626 Q627 D641	H621-V624 WeakPolarHBondContact O-CA 3.46Å; H621-V624 VanDerWaalsContact O-CB 3.26Å; H621-V624 WeakPolarHBondContact O-CB 3.21Å; H621-V624 PolarHBondContact O-N 2.92Å; V622-V624 VanDerWaalsContact C-N 3.3Å; V622-V624 PolarHBondContact O-N 3.48Å; V624-R626 VanDerWaalsContact C-N 3.32Å; V624-R626 PolarHBondContact O-N 2.87Å; V624-Q627 PolarHBondContact O-N 3.08Å; V624-D641 HydrophobicContact CG2-CB 4.2Å
625	H	73.9	Confident	72.7	Confident	75 Å²	75	82.3 Å²	82.3	35%	0.347	40%	0.396	S	S	.	.	H	α-helix	trans	-62.1	-36.9	177.2	-83.9	-81.6	0	0	0	113.3	D607 C608 H621 V622 Q627	D607-H625 HydrophobicContact CB-CB 3.81Å; D607-H625 VanDerWaalsContact CB-CG 3.42Å; D607-H625 VanDerWaalsContact CB-ND1 3.33Å; D607-H625 WeakPolarHBondContact CB-ND1 3.39Å; D607-H625 PolarHBondContact O-CE1 2.86Å; C608-H625 PolarHBondContact SG-NE2 3.24Å; H621-H625 AromaticContact CE1-CD2 3.45Å; H621-H625 PolarHBondContact CE1-CD2 3.34Å; H621-H625 VanDerWaalsContact CE1-CD2 3.45Å; H621-H625 AromaticContact CE1-NE2 3.21Å; H621-H625 PolarHBondContact CE1-NE2 2.64Å; H621-H625 AromaticContact NE2-CD2 3.34Å; H621-H625 PolarHBondContact NE2-CD2 2.7Å; H621-H625 VanDerWaalsContact NE2-CD2 3.34Å; H621-H625 AromaticContact NE2-NE2 3.2Å; H621-H625 PolarHBondContact NE2-NE2 3.24Å; H621-H625 VanDerWaalsContact NE2-NE2 3.2Å; H621-H625 PolarHBondContact O-N 2.87Å; V622-H625 PolarHBondContact O-N 3.05Å; H625-Q627 PolarHBondContact O-N 2.94Å
626	R	66.3	Low	72.3	Confident	168 Å²	168	78.7 Å²	78.7	63%	0.634	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-1	176.1	-70.3	173.8	177.9	149.5	6.2	113.8	V622 E623 V624 R628	V622-R626 WeakPolarHBondContact O-CG 3.37Å; V622-R626 PolarHBondContact O-N 3.23Å; E623-R626 PolarHBondContact O-N 3Å; V624-R626 VanDerWaalsContact C-N 3.32Å; V624-R626 PolarHBondContact O-N 2.87Å; R626-R628 HydrophobicContact CB-CB 4.28Å; R626-R628 PolarHBondContact O-N 3.17Å
627	Q	60.5	Low	71.4	Confident	172 Å²	172	78.5 Å²	78.5	80%	0.804	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	7.1	-166.5	-57.7	-163.7	12.2	0	0	114.9	E623 V624 H625 K629	E623-Q627 PolarHBondContact O-N 3.37Å; V624-Q627 PolarHBondContact O-N 3.08Å; H625-Q627 PolarHBondContact O-N 2.94Å; Q627-K629 PolarHBondContact O-N 3.15Å
628	R	53.7	Low	70.8	Confident	195 Å²	195	83.5 Å²	83.5	74%	0.736	40%	0.397	S	S	*	.			trans	-83.1	89	178.5	-80.1	-171.7	163.7	-145.7	-6.5	108.2	E623 R626 P630	E623-R628 PolarHBondContact O-N 3.46Å; R626-R628 HydrophobicContact CB-CB 4.28Å; R626-R628 PolarHBondContact O-N 3.17Å; R628-P630 WeakPolarHBondContact O-CD 3.47Å
629	K	61.5	Low	70.3	Confident	104 Å²	104	87.8 Å²	87.8	45%	0.452	42%	0.415	S	S	.	.			trans	-83.5	97.3	164.7	-69.9	165.9	174	176.4	0	107.8	Q627 F631 F639 F640	Q627-K629 PolarHBondContact O-N 3.15Å; K629-F631 VanDerWaalsContact C-N 3.27Å; K629-F631 PolarHBondContact O-N 3.19Å; K629-F639 HydrophobicContact CB-CB 3.53Å; K629-F639 HydrophobicContact CD-CB 4.21Å; K629-F639 WeakPolarHBondContact O-CD1 2.89Å; K629-F640 CarbonylContact C-O 3.54Å; K629-F640 VanDerWaalsContact C-O 3.3Å; K629-F640 WeakPolarHBondContact CA-O 3.2Å; K629-F640 WeakPolarHBondContact CB-O 3.48Å
630	P	67.1	Low	70.1	Confident	73 Å²	73	86 Å²	86	47%	0.474	40%	0.404	S	S	.	.			trans	-76.3	-15.7	-167.4	31.8	-34.9	0	0	0	113.2	R628 G632 F640	R628-P630 WeakPolarHBondContact O-CD 3.47Å; P630-G632 PolarHBondContact O-N 2.71Å; P630-F640 WeakPolarHBondContact CD-O 3.43Å
631	F	70.6	Confident	69.9	Low	63 Å²	63	86.5 Å²	86.5	28%	0.276	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	82.9	-173.3	-54.7	-66.5	0	0	0	111.1	K629 F639 F640 L643 L646	K629-F631 VanDerWaalsContact C-N 3.27Å; K629-F631 PolarHBondContact O-N 3.19Å; F631-F639 CarbonylContact O-C 3.39Å; F631-F639 WeakPolarHBondContact O-CA 3.16Å; F631-F640 HydrophobicContact CB-CB 4.27Å; F631-F640 WeakPolarHBondContact CB-O 3.38Å; F631-F640 PolarHBondContact N-O 3.21Å; F631-F640 VanDerWaalsContact N-O 3.15Å; F631-F640 PolarHBondContact O-N 3.36Å; F631-L643 HydrophobicContact CD1-CB 4.05Å; F631-L643 HydrophobicContact CD1-CD1 3.76Å; F631-L643 HydrophobicContact CD1-CG 4.46Å; F631-L643 HydrophobicContact CD2-CB 4.43Å; F631-L643 VanDerWaalsContact CD2-N 3.34Å; F631-L643 HydrophobicContact CE1-CB 3.85Å; F631-L643 HydrophobicContact CE1-CD1 4.04Å; F631-L643 HydrophobicContact CE1-CG 4.38Å; F631-L643 HydrophobicContact CE2-CB 4.24Å; F631-L643 HydrophobicContact CG-CB 4.34Å; F631-L643 HydrophobicContact CG-CD1 4.46Å; F631-L643 HydrophobicContact CZ-CB 3.96Å; F631-L646 HydrophobicContact CB-CB 3.88Å; F631-L646 HydrophobicContact CB-CD2 3.8Å; F631-L646 HydrophobicContact CB-CG 4.43Å
632	G	65.3	Low	69.5	Low	19 Å²	19	88.3 Å²	88.3	20%	0.196	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139	174.7	0	0	0	0	0	113.1	P630 L646	P630-G632 PolarHBondContact O-N 2.71Å; G632-L646 WeakPolarHBondContact O-CD1 3.31Å
633	C	72.6	Confident	69.4	Low	4 Å²	4	91.5 Å²	91.5	3%	0.027	43%	0.428	C	S	.	.			trans	-89.6	113.1	169.4	179.3	0	0	0	0	111.6	L635 C636 H637 R638 F640 L646 H649	C633-L635 PolarHBondContact O-N 3.21Å; C633-C636 PolarHBondContact O-N 2.94Å; C633-C636 VanDerWaalsContact O-N 3.11Å; C633-C636 VanDerWaalsContact SG-SG 3.67Å; C633-H637 WeakPolarHBondContact O-CA 3.31Å; C633-H637 PolarHBondContact O-N 2.8Å; C633-R638 WeakPolarHBondContact CB-O 3.44Å; C633-R638 PolarHBondContact N-O 2.73Å; C633-F640 HydrophobicContact CB-CE2 4.27Å; C633-L646 HydrophobicContact CB-CD1 3.65Å; C633-H649 VanDerWaalsContact SG-CD2 3.55Å
634	N	68.1	Low	69.5	Low	124 Å²	124	94.7 Å²	94.7	66%	0.663	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.1	-178.5	-58.9	1.8	0	0	0	114.5
635	L	64.2	Low	69.8	Low	118 Å²	118	96 Å²	96	62%	0.618	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	4.4	-178.1	-60	174.7	0	0	0	114.1	C633 R653	C633-L635 PolarHBondContact O-N 3.21Å; L635-R653 HydrophobicContact CB-CG 4.23Å; L635-R653 HydrophobicContact CD1-CB 3.63Å; L635-R653 HydrophobicContact CD1-CG 4.1Å
636	C	73.4	Confident	70.1	Confident	38 Å²	38	93.9 Å²	93.9	26%	0.257	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-168.5	-0.6	179	64.1	0	0	0	0	116.6	C633 R638 H649 R653	C633-C636 PolarHBondContact O-N 2.94Å; C633-C636 VanDerWaalsContact O-N 3.11Å; C633-C636 VanDerWaalsContact SG-SG 3.67Å; C636-R638 PolarHBondContact O-N 2.91Å; C636-R638 VanDerWaalsContact SG-CB 3.58Å; C636-R638 PolarHBondContact SG-N 3.09Å; C636-H649 PolarHBondContact SG-NE2 3.37Å; C636-R653 VanDerWaalsContact SG-CZ 3.6Å; C636-R653 PolarHBondContact SG-NH2 2.73Å
637	H	63.6	Low	70.4	Confident	140 Å²	140	92.8 Å²	92.8	65%	0.648	43%	0.429	S	S	*	.			trans	58.4	17.8	-178.6	-39.8	-68.8	0	0	0	114.4	C633 F639	C633-H637 WeakPolarHBondContact O-CA 3.31Å; C633-H637 PolarHBondContact O-N 2.8Å; H637-F639 WeakPolarHBondContact O-CD2 3.23Å; H637-F639 WeakPolarHBondContact O-CE2 3.44Å; H637-F639 PolarHBondContact O-N 3.39Å
638	R	70.4	Confident	71.1	Confident	166 Å²	166	88.6 Å²	88.6	63%	0.626	42%	0.415	S	S	*	.			trans	-76.8	121.9	168.3	-165.9	171.1	-170.7	147.3	5	109.2	C633 C636 F640	C633-R638 WeakPolarHBondContact CB-O 3.44Å; C633-R638 PolarHBondContact N-O 2.73Å; C636-R638 PolarHBondContact O-N 2.91Å; C636-R638 VanDerWaalsContact SG-CB 3.58Å; C636-R638 PolarHBondContact SG-N 3.09Å; R638-F640 HydrophobicContact CB-CE2 4.27Å; R638-F640 HydrophobicContact CB-CZ 4.39Å; R638-F640 HydrophobicContact CG-CE2 4.24Å; R638-F640 HydrophobicContact CG-CZ 3.98Å; R638-F640 VanDerWaalsContact O-CE2 3.3Å; R638-F640 WeakPolarHBondContact O-CE2 3.49Å
639	F	74.4	Confident	72.1	Confident	113 Å²	113	81.2 Å²	81.2	50%	0.496	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.9	-179.9	-61.8	-94.6	0	0	0	112.4	K629 F631 H637	K629-F639 HydrophobicContact CB-CB 3.53Å; K629-F639 HydrophobicContact CD-CB 4.21Å; K629-F639 WeakPolarHBondContact O-CD1 2.89Å; F631-F639 CarbonylContact O-C 3.39Å; F631-F639 WeakPolarHBondContact O-CA 3.16Å; H637-F639 WeakPolarHBondContact O-CD2 3.23Å; H637-F639 WeakPolarHBondContact O-CE2 3.44Å; H637-F639 PolarHBondContact O-N 3.39Å
640	F	76.6	Confident	72.4	Confident	30 Å²	30	78.5 Å²	78.5	13%	0.132	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.5	179.6	-59.6	-87.2	0	0	0	112	K629 P630 F631 C633 R638 L646 H649	K629-F640 CarbonylContact C-O 3.54Å; K629-F640 VanDerWaalsContact C-O 3.3Å; K629-F640 WeakPolarHBondContact CA-O 3.2Å; K629-F640 WeakPolarHBondContact CB-O 3.48Å; P630-F640 WeakPolarHBondContact CD-O 3.43Å; F631-F640 HydrophobicContact CB-CB 4.27Å; F631-F640 WeakPolarHBondContact CB-O 3.38Å; F631-F640 PolarHBondContact N-O 3.21Å; F631-F640 VanDerWaalsContact N-O 3.15Å; F631-F640 PolarHBondContact O-N 3.36Å; C633-F640 HydrophobicContact CB-CE2 4.27Å; R638-F640 HydrophobicContact CB-CE2 4.27Å; R638-F640 HydrophobicContact CB-CZ 4.39Å; R638-F640 HydrophobicContact CG-CE2 4.24Å; R638-F640 HydrophobicContact CG-CZ 3.98Å; R638-F640 VanDerWaalsContact O-CE2 3.3Å; R638-F640 WeakPolarHBondContact O-CE2 3.49Å; F640-L646 HydrophobicContact CD2-CB 4.23Å; F640-L646 HydrophobicContact CD2-CD1 4.22Å; F640-H649 HydrophobicContact CE1-CB 4.24Å; F640-H649 HydrophobicContact CE2-CB 3.78Å; F640-H649 AromaticContact CE2-CD2 3.62Å; F640-H649 AromaticContact CE2-CG 3.67Å; F640-H649 HydrophobicContact CZ-CB 3.54Å; F640-H649 AromaticContact CZ-CD2 3.68Å; F640-H649 AromaticContact CZ-CG 3.34Å; F640-H649 AromaticContact CZ-ND1 3.8Å
641	D	74.8	Confident	72.2	Confident	39 Å²	39	79.2 Å²	79.2	21%	0.209	38%	0.38	C	S	.	.	S	Bend	trans	-82.4	-16.2	175.4	59.7	-49.2	0	0	0	113	V624 Y645	V624-D641 HydrophobicContact CG2-CB 4.2Å; D641-Y645 WeakPolarHBondContact OD1-CD2 3.48Å
642	R	74.4	Confident	71.5	Confident	71 Å²	71	77.9 Å²	77.9	27%	0.268	38%	0.383	S	S	.	.	S	Bend	trans	-135.4	139.7	177.4	-61.6	-175.5	172.1	-156.7	-13.6	112.2	N617 T620 E644 Y645 L646	N617-R642 PolarHBondContact OD1-NH2 3.27Å; T620-R642 PolarHBondContact OG1-NH2 2.9Å; R642-E644 VanDerWaalsContact C-N 3.26Å; R642-E644 PolarHBondContact O-N 3.21Å; R642-Y645 HydrophobicContact CB-CD2 3.74Å; R642-Y645 HydrophobicContact CB-CE2 4.03Å; R642-Y645 HydrophobicContact CB-CG 4.14Å; R642-Y645 HydrophobicContact CG-CD2 4.19Å; R642-Y645 HydrophobicContact CG-CE2 4.03Å; R642-Y645 WeakPolarHBondContact O-CB 3.33Å; R642-Y645 PolarHBondContact O-N 3.31Å; R642-L646 PolarHBondContact O-N 3.42Å; R642-L646 VanDerWaalsContact O-N 3.14Å
643	L	77.3	Confident	71.1	Confident	77 Å²	77	82.2 Å²	82.2	40%	0.403	39%	0.394	S	S	.	.	H	α-helix	trans	-61.6	-33.3	178.2	-175.9	61.2	0	0	0	112.4	F631 Y645 L646 Y647	F631-L643 HydrophobicContact CD1-CB 4.05Å; F631-L643 HydrophobicContact CD1-CD1 3.76Å; F631-L643 HydrophobicContact CD1-CG 4.46Å; F631-L643 HydrophobicContact CD2-CB 4.43Å; F631-L643 VanDerWaalsContact CD2-N 3.34Å; F631-L643 HydrophobicContact CE1-CB 3.85Å; F631-L643 HydrophobicContact CE1-CD1 4.04Å; F631-L643 HydrophobicContact CE1-CG 4.38Å; F631-L643 HydrophobicContact CE2-CB 4.24Å; F631-L643 HydrophobicContact CG-CB 4.34Å; F631-L643 HydrophobicContact CG-CD1 4.46Å; F631-L643 HydrophobicContact CZ-CB 3.96Å; L643-Y645 VanDerWaalsContact C-N 3.3Å; L643-Y645 PolarHBondContact O-N 2.98Å; L643-L646 HydrophobicContact CD1-CD2 4.2Å; L643-L646 PolarHBondContact O-N 2.86Å; L643-Y647 HydrophobicContact CD1-CD2 4.3Å; L643-Y647 HydrophobicContact CD1-CE2 4.01Å; L643-Y647 HydrophobicContact CD2-CE2 3.9Å; L643-Y647 HydrophobicContact CG-CD2 3.87Å; L643-Y647 HydrophobicContact CG-CE2 3.61Å; L643-Y647 VanDerWaalsContact O-CD2 3.3Å; L643-Y647 WeakPolarHBondContact O-CD2 3.45Å; L643-Y647 PolarHBondContact O-N 3.47Å
644	E	79	Confident	70.2	Confident	131 Å²	131	91.3 Å²	91.3	61%	0.612	43%	0.427	S	S	*	.	H	α-helix	trans	-62	-35.7	173.5	-174.4	178.8	-162	0	0	112.5	R642 Y647 T648	R642-E644 VanDerWaalsContact C-N 3.26Å; R642-E644 PolarHBondContact O-N 3.21Å; E644-Y647 PolarHBondContact O-N 2.85Å; E644-T648 PolarHBondContact O-N 3Å; E644-T648 PolarHBondContact O-OG1 3.41Å
645	Y	77.8	Confident	69.5	Low	97 Å²	97	91.4 Å²	91.4	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-74.3	-33	174.4	-57.3	-26.1	0	0	0	111.8	D641 R642 L643 T648 H649	D641-Y645 WeakPolarHBondContact OD1-CD2 3.48Å; R642-Y645 HydrophobicContact CB-CD2 3.74Å; R642-Y645 HydrophobicContact CB-CE2 4.03Å; R642-Y645 HydrophobicContact CB-CG 4.14Å; R642-Y645 HydrophobicContact CG-CD2 4.19Å; R642-Y645 HydrophobicContact CG-CE2 4.03Å; R642-Y645 WeakPolarHBondContact O-CB 3.33Å; R642-Y645 PolarHBondContact O-N 3.31Å; L643-Y645 VanDerWaalsContact C-N 3.3Å; L643-Y645 PolarHBondContact O-N 2.98Å; Y645-T648 WeakPolarHBondContact CA-OG1 3.49Å; Y645-T648 PolarHBondContact O-OG1 3.46Å; Y645-H649 WeakPolarHBondContact O-CB 3.47Å; Y645-H649 PolarHBondContact O-N 3.44Å
646	L	80	Confident	69.1	Low	29 Å²	29	89.3 Å²	89.3	15%	0.152	44%	0.435	C	S	.	.	H	α-helix	trans	-65.1	-43.7	169.2	175.2	60.5	0	0	0	111.7	F631 G632 C633 F640 R642 L643 H649 S650	F631-L646 HydrophobicContact CB-CB 3.88Å; F631-L646 HydrophobicContact CB-CD2 3.8Å; F631-L646 HydrophobicContact CB-CG 4.43Å; G632-L646 WeakPolarHBondContact O-CD1 3.31Å; C633-L646 HydrophobicContact CB-CD1 3.65Å; F640-L646 HydrophobicContact CD2-CB 4.23Å; F640-L646 HydrophobicContact CD2-CD1 4.22Å; R642-L646 PolarHBondContact O-N 3.42Å; R642-L646 VanDerWaalsContact O-N 3.14Å; L643-L646 HydrophobicContact CD1-CD2 4.2Å; L643-L646 PolarHBondContact O-N 2.86Å; L646-H649 PolarHBondContact O-N 3.23Å; L646-S650 WeakPolarHBondContact O-CB 3.43Å; L646-S650 PolarHBondContact O-N 2.73Å; L646-S650 PolarHBondContact O-OG 3.22Å
647	Y	73.6	Confident	68.4	Low	146 Å²	146	87.9 Å²	87.9	57%	0.573	43%	0.427	S	S	*	.	H	α-helix	trans	-62.1	-51.2	176.5	-83.5	-61.1	0	0	0	112.4	L643 E644 H649 S650 E651	L643-Y647 HydrophobicContact CD1-CD2 4.3Å; L643-Y647 HydrophobicContact CD1-CE2 4.01Å; L643-Y647 HydrophobicContact CD2-CE2 3.9Å; L643-Y647 HydrophobicContact CG-CD2 3.87Å; L643-Y647 HydrophobicContact CG-CE2 3.61Å; L643-Y647 VanDerWaalsContact O-CD2 3.3Å; L643-Y647 WeakPolarHBondContact O-CD2 3.45Å; L643-Y647 PolarHBondContact O-N 3.47Å; E644-Y647 PolarHBondContact O-N 2.85Å; Y647-H649 PolarHBondContact O-N 3.42Å; Y647-S650 PolarHBondContact O-N 3.48Å; Y647-S650 VanDerWaalsContact O-N 3.14Å; Y647-S650 PolarHBondContact O-OG 2.94Å; Y647-E651 PolarHBondContact O-N 2.95Å
648	T	74.4	Confident	68.7	Low	83 Å²	83	90.4 Å²	90.4	51%	0.509	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-26.5	177.7	49.5	0	0	0	0	112.6	E644 Y645 G652	E644-T648 PolarHBondContact O-N 3Å; E644-T648 PolarHBondContact O-OG1 3.41Å; Y645-T648 WeakPolarHBondContact CA-OG1 3.49Å; Y645-T648 PolarHBondContact O-OG1 3.46Å; T648-G652 PolarHBondContact O-N 3.24Å; T648-G652 VanDerWaalsContact O-N 3.16Å
649	H	74.6	Confident	68.8	Low	40 Å²	40	86 Å²	86	19%	0.185	42%	0.416	C	S	.	.	H	α-helix	trans	-76.9	-37.4	170.3	-172.1	67.5	0	0	0	113.8	C633 C636 F640 Y645 L646 Y647 G652 R653	C633-H649 VanDerWaalsContact SG-CD2 3.55Å; C636-H649 PolarHBondContact SG-NE2 3.37Å; F640-H649 HydrophobicContact CE1-CB 4.24Å; F640-H649 HydrophobicContact CE2-CB 3.78Å; F640-H649 AromaticContact CE2-CD2 3.62Å; F640-H649 AromaticContact CE2-CG 3.67Å; F640-H649 HydrophobicContact CZ-CB 3.54Å; F640-H649 AromaticContact CZ-CD2 3.68Å; F640-H649 AromaticContact CZ-CG 3.34Å; F640-H649 AromaticContact CZ-ND1 3.8Å; Y645-H649 WeakPolarHBondContact O-CB 3.47Å; Y645-H649 PolarHBondContact O-N 3.44Å; L646-H649 PolarHBondContact O-N 3.23Å; Y647-H649 PolarHBondContact O-N 3.42Å; H649-G652 CarbonylContact O-C 3.58Å; H649-G652 VanDerWaalsContact O-CA 3.3Å; H649-G652 WeakPolarHBondContact O-CA 3.37Å; H649-G652 PolarHBondContact O-N 2.94Å; H649-R653 PolarHBondContact CE1-NH2 3.25Å; H649-R653 PolarHBondContact NE2-NE 3.28Å; H649-R653 PolarHBondContact NE2-NH2 2.91Å; H649-R653 WeakPolarHBondContact O-CG 3.38Å; H649-R653 PolarHBondContact O-N 3.18Å; H649-R653 VanDerWaalsContact O-N 3.11Å
650	S	68.3	Low	68.9	Low	47 Å²	47	83.9 Å²	83.9	33%	0.329	42%	0.419	S	S	.	.	H	α-helix	trans	-78.6	-36.9	-178.5	66.4	0	0	0	0	112.5	L646 Y647 G652 R653	L646-S650 WeakPolarHBondContact O-CB 3.43Å; L646-S650 PolarHBondContact O-N 2.73Å; L646-S650 PolarHBondContact O-OG 3.22Å; Y647-S650 PolarHBondContact O-N 3.48Å; Y647-S650 VanDerWaalsContact O-N 3.14Å; Y647-S650 PolarHBondContact O-OG 2.94Å; S650-G652 PolarHBondContact O-N 3.19Å; S650-R653 WeakPolarHBondContact O-CB 3.29Å; S650-R653 PolarHBondContact O-N 3.17Å; S650-R653 VanDerWaalsContact O-N 3.17Å
651	E	63.2	Low	69.1	Low	89 Å²	89	83.2 Å²	83.2	42%	0.416	42%	0.418	S	S	.	.	H	α-helix	trans	-56.1	-45.8	160.6	-73.4	-163.5	125.8	0	0	109.5	Y647 R653 R654 R658 F669	Y647-E651 PolarHBondContact O-N 2.95Å; E651-R653 PolarHBondContact O-N 2.85Å; E651-R654 WeakPolarHBondContact O-CB 3.23Å; E651-R654 PolarHBondContact O-N 3.46Å; E651-R658 IonicContact OE1-NH2 2.6Å; E651-R658 PolarHBondContact OE1-NH2 2.96Å; E651-R658 VanDerWaalsContact OE1-NH2 3.13Å; E651-F669 HydrophobicContact CB-CD1 4.24Å; E651-F669 WeakPolarHBondContact O-CE1 3.35Å; E651-F669 VanDerWaalsContact O-CZ 3.32Å; E651-F669 WeakPolarHBondContact O-CZ 3.18Å
652	G	56.5	Low	69.3	Low	34 Å²	34	88.3 Å²	88.3	35%	0.351	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-8.8	175.3	0	0	0	0	0	116.8	T648 H649 S650	T648-G652 PolarHBondContact O-N 3.24Å; T648-G652 VanDerWaalsContact O-N 3.16Å; H649-G652 CarbonylContact O-C 3.58Å; H649-G652 VanDerWaalsContact O-CA 3.3Å; H649-G652 WeakPolarHBondContact O-CA 3.37Å; H649-G652 PolarHBondContact O-N 2.94Å; S650-G652 PolarHBondContact O-N 3.19Å
653	R	56.1	Low	69.4	Low	111 Å²	111	90.3 Å²	90.3	42%	0.419	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.2	174.8	-71.4	-84	169.7	-169.9	-7.5	113.3	L635 C636 H649 S650 E651	L635-R653 HydrophobicContact CB-CG 4.23Å; L635-R653 HydrophobicContact CD1-CB 3.63Å; L635-R653 HydrophobicContact CD1-CG 4.1Å; C636-R653 VanDerWaalsContact SG-CZ 3.6Å; C636-R653 PolarHBondContact SG-NH2 2.73Å; H649-R653 PolarHBondContact CE1-NH2 3.25Å; H649-R653 PolarHBondContact NE2-NE 3.28Å; H649-R653 PolarHBondContact NE2-NH2 2.91Å; H649-R653 WeakPolarHBondContact O-CG 3.38Å; H649-R653 PolarHBondContact O-N 3.18Å; H649-R653 VanDerWaalsContact O-N 3.11Å; S650-R653 WeakPolarHBondContact O-CB 3.29Å; S650-R653 PolarHBondContact O-N 3.17Å; S650-R653 VanDerWaalsContact O-N 3.17Å; E651-R653 PolarHBondContact O-N 2.85Å
654	R	54.3	Low	69.5	Low	194 Å²	194	88 Å²	88	73%	0.732	45%	0.451	S	S	*	.	S	Bend	trans	-79	135.9	176.4	-148.8	174.3	-169.7	100.3	-0.9	108.9	E651 A656 F669	E651-R654 WeakPolarHBondContact O-CB 3.23Å; E651-R654 PolarHBondContact O-N 3.46Å; R654-A656 PolarHBondContact O-N 3.42Å; R654-F669 WeakPolarHBondContact O-CZ 3.4Å
655	P	53	Low	69.3	Low	127 Å²	127	90 Å²	90	83%	0.825	47%	0.466	S	S	*	.	S	Bend	trans	-61.1	-16.3	-173.6	-28.1	36.1	0	0	0	116.5	S667	P655-S667 PolarHBondContact O-OG 2.81Å
656	A	55.3	Low	69.2	Low	74 Å²	74	91.3 Å²	91.3	61%	0.612	47%	0.474	S	S	*	.			trans	-109.3	93.1	-177.8	0	0	0	0	0	111.8	R654	R654-A656 PolarHBondContact O-N 3.42Å
657	G	58	Low	68.9	Low	8 Å²	8	91.8 Å²	91.8	8%	0.082	48%	0.479	C	S	.	.			trans	-66.2	137.6	159.4	0	0	0	0	0	110.6	F659 S667 F668	G657-F659 PolarHBondContact O-N 3.46Å; G657-F659 VanDerWaalsContact O-N 3.08Å; G657-S667 PolarHBondContact N-OG 2.75Å; G657-F668 CarbonylContact C-O 3.53Å; G657-F668 VanDerWaalsContact C-O 3.23Å; G657-F668 WeakPolarHBondContact CA-O 3.24Å
658	R	70.3	Confident	69.1	Low	192 Å²	192	86.8 Å²	86.8	73%	0.725	46%	0.461	S	S	*	.	S	Bend	trans	-62.1	-18.4	-174.9	-56	-174.1	-164.5	-178.8	8.7	114.2	E651 F668	E651-R658 IonicContact OE1-NH2 2.6Å; E651-R658 PolarHBondContact OE1-NH2 2.96Å; E651-R658 VanDerWaalsContact OE1-NH2 3.13Å; R658-F668 PolarHBondContact N-O 2.94Å
659	F	72.4	Confident	69	Low	75 Å²	75	86.1 Å²	86.1	33%	0.329	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	88.9	-177.3	-59.7	-84.3	0	0	0	110.1	G657 F668 E671 L674	G657-F659 PolarHBondContact O-N 3.46Å; G657-F659 VanDerWaalsContact O-N 3.08Å; F659-F668 HydrophobicContact CB-CB 4.33Å; F659-F668 WeakPolarHBondContact CB-O 3.42Å; F659-F668 PolarHBondContact N-O 3.04Å; F659-F668 PolarHBondContact O-N 2.96Å; F659-E671 HydrophobicContact CD1-CB 4.21Å; F659-E671 HydrophobicContact CD1-CG 4.29Å; F659-E671 HydrophobicContact CE1-CB 3.83Å; F659-E671 HydrophobicContact CE1-CG 4.06Å; F659-E671 HydrophobicContact CE2-CB 4.4Å; F659-E671 HydrophobicContact CZ-CB 3.94Å; F659-L674 HydrophobicContact CB-CB 3.98Å; F659-L674 HydrophobicContact CB-CD2 3.82Å; F659-L674 HydrophobicContact CB-CG 4.48Å
660	A	77.1	Confident	69.1	Low	68 Å²	68	86.8 Å²	86.8	56%	0.562	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	148	173	0	0	0	0	0	111.7
661	C	81.2	Confident	69.6	Low	16 Å²	16	89.5 Å²	89.5	11%	0.108	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.6	170.1	-167.8	0	0	0	0	111.4	K663 C664 K666 L674 H677 H681	C661-K663 PolarHBondContact O-N 2.87Å; C661-C664 WeakPolarHBondContact CB-O 3.34Å; C661-K666 PolarHBondContact N-O 2.92Å; C661-L674 HydrophobicContact CB-CD1 3.75Å; C661-H677 VanDerWaalsContact SG-CD2 3.6Å; C661-H677 PolarHBondContact SG-NE2 3.14Å; C661-H681 PolarHBondContact SG-NE2 3.46Å
662	T	79.6	Confident	70.6	Confident	145 Å²	145	93.7 Å²	93.7	89%	0.89	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.4	176.7	51.9	0	0	0	0	114.1
663	K	75.2	Confident	71.7	Confident	114 Å²	114	94 Å²	94	50%	0.496	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-6	-177.4	-62.8	-178.6	-177.7	-178.5	0	114.2	C661 H681 E682	C661-K663 PolarHBondContact O-N 2.87Å; K663-H681 HydrophobicContact CB-CB 4.3Å; K663-H681 HydrophobicContact CD-CB 3.48Å; K663-H681 VanDerWaalsContact CD-CB 3.48Å; K663-H681 PolarHBondContact O-CE1 2.8Å; K663-E682 IonicContact NZ-OE1 2.78Å; K663-E682 PolarHBondContact NZ-OE1 2.95Å
664	C	79.1	Confident	73	Confident	29 Å²	29	90.5 Å²	90.5	20%	0.196	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	166.2	166.6	67.1	0	0	0	0	111.1	C661 K666 H677 H681	C661-C664 WeakPolarHBondContact CB-O 3.34Å; C664-K666 PolarHBondContact O-N 2.92Å; C664-H677 PolarHBondContact SG-NE2 3.23Å; C664-H677 VanDerWaalsContact SG-NE2 3.36Å; C664-H681 WeakPolarHBondContact CB-CE1 3.35Å; C664-H681 PolarHBondContact N-CE1 3.13Å; C664-H681 PolarHBondContact SG-CE1 3.36Å; C664-H681 PolarHBondContact SG-NE2 2.96Å
665	D	75.4	Confident	74.3	Confident	172 Å²	172	86.1 Å²	86.1	92%	0.92	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	14.7	-171.7	-39.1	-71.5	0	0	0	116.3
666	K	74.8	Confident	75.5	Confident	125 Å²	125	83.1 Å²	83.1	54%	0.543	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.3	179.2	-67.5	173.6	-175.1	162	0	110	C661 C664 F668	C661-K666 PolarHBondContact N-O 2.92Å; C664-K666 PolarHBondContact O-N 2.92Å; K666-F668 HydrophobicContact CB-CE2 3.62Å; K666-F668 HydrophobicContact CB-CZ 3.85Å; K666-F668 VanDerWaalsContact O-CE2 3.31Å; K666-F668 WeakPolarHBondContact O-CE2 3.47Å
667	S	75.5	Confident	76.7	Confident	38 Å²	38	80.5 Å²	80.5	27%	0.266	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147	174.5	67.1	0	0	0	0	111.7	P655 G657	P655-S667 PolarHBondContact O-OG 2.81Å; G657-S667 PolarHBondContact N-OG 2.75Å
668	F	77.5	Confident	77.6	Confident	42 Å²	42	81.7 Å²	81.7	18%	0.184	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.3	-172.8	-62.5	-91.3	0	0	0	111.1	G657 R658 F659 K666 A673 L674 H677	G657-F668 CarbonylContact C-O 3.53Å; G657-F668 VanDerWaalsContact C-O 3.23Å; G657-F668 WeakPolarHBondContact CA-O 3.24Å; R658-F668 PolarHBondContact N-O 2.94Å; F659-F668 HydrophobicContact CB-CB 4.33Å; F659-F668 WeakPolarHBondContact CB-O 3.42Å; F659-F668 PolarHBondContact N-O 3.04Å; F659-F668 PolarHBondContact O-N 2.96Å; K666-F668 HydrophobicContact CB-CE2 3.62Å; K666-F668 HydrophobicContact CB-CZ 3.85Å; K666-F668 VanDerWaalsContact O-CE2 3.31Å; K666-F668 WeakPolarHBondContact O-CE2 3.47Å; F668-A673 HydrophobicContact CB-CB 4.24Å; F668-A673 HydrophobicContact CD1-CB 3.84Å; F668-A673 HydrophobicContact CG-CB 4.37Å; F668-L674 HydrophobicContact CB-CB 4.26Å; F668-L674 HydrophobicContact CD2-CB 4.27Å; F668-L674 HydrophobicContact CD2-CD1 4.1Å; F668-L674 HydrophobicContact CE2-CD1 4.48Å; F668-L674 HydrophobicContact CG-CB 4.39Å; F668-H677 HydrophobicContact CE1-CB 3.89Å; F668-H677 HydrophobicContact CE2-CB 3.84Å; F668-H677 AromaticContact CE2-CD2 3.13Å; F668-H677 WeakPolarHBondContact CE2-CD2 3.44Å; F668-H677 AromaticContact CE2-CG 3.56Å; F668-H677 AromaticContact CE2-NE2 3.94Å; F668-H677 HydrophobicContact CZ-CB 3.42Å; F668-H677 VanDerWaalsContact CZ-CB 3.42Å; F668-H677 AromaticContact CZ-CD2 3.38Å; F668-H677 WeakPolarHBondContact CZ-CD2 3.5Å; F668-H677 AromaticContact CZ-CG 3.28Å
669	F	72.1	Confident	77.9	Confident	69 Å²	69	79.4 Å²	79.4	30%	0.303	42%	0.422	S	S	.	.	S	Bend	trans	-93.6	-18	-175.3	-63.9	-90.4	0	0	0	113.3	E651 R654	E651-F669 HydrophobicContact CB-CD1 4.24Å; E651-F669 WeakPolarHBondContact O-CE1 3.35Å; E651-F669 VanDerWaalsContact O-CZ 3.32Å; E651-F669 WeakPolarHBondContact O-CZ 3.18Å; R654-F669 WeakPolarHBondContact O-CZ 3.4Å
670	A	76.8	Confident	77.8	Confident	53 Å²	53	78.1 Å²	78.1	44%	0.438	42%	0.422	S	S	.	.	S	Bend	trans	-131.3	138.3	176.2	0	0	0	0	0	110.7	K672 A673 L674	A670-K672 VanDerWaalsContact C-N 3.28Å; A670-K672 PolarHBondContact O-N 3.38Å; A670-A673 WeakPolarHBondContact O-CA 3.5Å; A670-A673 WeakPolarHBondContact O-CB 3.38Å; A670-A673 PolarHBondContact O-N 2.89Å; A670-L674 PolarHBondContact O-N 3.02Å
671	E	79.3	Confident	77.5	Confident	105 Å²	105	78.3 Å²	78.3	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-55	-41.4	-179.1	-164.1	-156.8	153.4	0	0	112.4	F659 A673 L674 Q675	F659-E671 HydrophobicContact CD1-CB 4.21Å; F659-E671 HydrophobicContact CD1-CG 4.29Å; F659-E671 HydrophobicContact CE1-CB 3.83Å; F659-E671 HydrophobicContact CE1-CG 4.06Å; F659-E671 HydrophobicContact CE2-CB 4.4Å; F659-E671 HydrophobicContact CZ-CB 3.94Å; E671-A673 PolarHBondContact O-N 3.25Å; E671-L674 CarbonylContact O-C 3.59Å; E671-L674 WeakPolarHBondContact O-CA 3.48Å; E671-L674 WeakPolarHBondContact O-CB 3.3Å; E671-L674 PolarHBondContact O-N 3.4Å; E671-Q675 WeakPolarHBondContact O-CG 3.47Å; E671-Q675 PolarHBondContact O-N 3.38Å; E671-Q675 PolarHBondContact OE1-NE2 3.41Å
672	K	83.7	Confident	76.7	Confident	177 Å²	177	83.5 Å²	83.5	77%	0.77	43%	0.434	S	S	*	.	H	α-helix	trans	-58.3	-30.3	175.9	-67.8	-177.9	179.1	177.7	0	113.1	A670 S676	A670-K672 VanDerWaalsContact C-N 3.28Å; A670-K672 PolarHBondContact O-N 3.38Å; K672-S676 WeakPolarHBondContact O-CB 3.32Å; K672-S676 PolarHBondContact O-N 2.86Å
673	A	79.3	Confident	75.7	Confident	41 Å²	41	84.6 Å²	84.6	34%	0.339	42%	0.422	S	S	.	.	H	α-helix	trans	-75.6	-41.7	175.1	0	0	0	0	0	111.1	F668 A670 E671 S676 H677	F668-A673 HydrophobicContact CB-CB 4.24Å; F668-A673 HydrophobicContact CD1-CB 3.84Å; F668-A673 HydrophobicContact CG-CB 4.37Å; A670-A673 WeakPolarHBondContact O-CA 3.5Å; A670-A673 WeakPolarHBondContact O-CB 3.38Å; A670-A673 PolarHBondContact O-N 2.89Å; E671-A673 PolarHBondContact O-N 3.25Å; A673-S676 PolarHBondContact O-N 3.35Å; A673-H677 WeakPolarHBondContact O-CB 3.46Å; A673-H677 PolarHBondContact O-N 2.89Å
674	L	83.7	Confident	74.9	Confident	36 Å²	36	82.2 Å²	82.2	19%	0.188	42%	0.42	C	S	.	.	H	α-helix	trans	-59.5	-48.3	170.7	173.7	60.8	0	0	0	111.3	F659 C661 F668 A670 E671 S676 H677 A678	F659-L674 HydrophobicContact CB-CB 3.98Å; F659-L674 HydrophobicContact CB-CD2 3.82Å; F659-L674 HydrophobicContact CB-CG 4.48Å; C661-L674 HydrophobicContact CB-CD1 3.75Å; F668-L674 HydrophobicContact CB-CB 4.26Å; F668-L674 HydrophobicContact CD2-CB 4.27Å; F668-L674 HydrophobicContact CD2-CD1 4.1Å; F668-L674 HydrophobicContact CE2-CD1 4.48Å; F668-L674 HydrophobicContact CG-CB 4.39Å; A670-L674 PolarHBondContact O-N 3.02Å; E671-L674 CarbonylContact O-C 3.59Å; E671-L674 WeakPolarHBondContact O-CA 3.48Å; E671-L674 WeakPolarHBondContact O-CB 3.3Å; E671-L674 PolarHBondContact O-N 3.4Å; L674-S676 VanDerWaalsContact C-N 3.27Å; L674-S676 PolarHBondContact O-N 2.84Å; L674-H677 CarbonylContact O-C 3.56Å; L674-H677 PolarHBondContact O-N 2.82Å; L674-H677 VanDerWaalsContact O-N 3.07Å; L674-A678 PolarHBondContact O-N 3.08Å
675	Q	80.2	Confident	74.3	Confident	103 Å²	103	82.9 Å²	82.9	48%	0.481	42%	0.421	S	S	.	.	H	α-helix	trans	-59.2	-37.6	176.1	-68.3	179.9	4.1	0	0	112.1	E671 R679	E671-Q675 WeakPolarHBondContact O-CG 3.47Å; E671-Q675 PolarHBondContact O-N 3.38Å; E671-Q675 PolarHBondContact OE1-NE2 3.41Å; Q675-R679 WeakPolarHBondContact O-CG 3.39Å; Q675-R679 PolarHBondContact O-N 3.08Å; Q675-R679 PolarHBondContact O-NE 3.4Å
676	S	78.4	Confident	74	Confident	64 Å²	64	75.9 Å²	75.9	45%	0.448	39%	0.385	S	S	.	.	H	α-helix	trans	-69.7	-33.4	175.5	-149.3	0	0	0	0	112.8	K672 A673 L674 R679	K672-S676 WeakPolarHBondContact O-CB 3.32Å; K672-S676 PolarHBondContact O-N 2.86Å; A673-S676 PolarHBondContact O-N 3.35Å; L674-S676 VanDerWaalsContact C-N 3.27Å; L674-S676 PolarHBondContact O-N 2.84Å; S676-R679 PolarHBondContact OG-NH2 3.08Å
677	H	80.8	Confident	73.9	Confident	18 Å²	18	72.3 Å²	72.3	8%	0.083	37%	0.37	C	S	.	.	H	α-helix	trans	-77.7	-34.7	174.7	169.5	54.8	0	0	0	113.7	C661 C664 F668 A673 L674 R679 S680 H681	C661-H677 VanDerWaalsContact SG-CD2 3.6Å; C661-H677 PolarHBondContact SG-NE2 3.14Å; C664-H677 PolarHBondContact SG-NE2 3.23Å; C664-H677 VanDerWaalsContact SG-NE2 3.36Å; F668-H677 HydrophobicContact CE1-CB 3.89Å; F668-H677 HydrophobicContact CE2-CB 3.84Å; F668-H677 AromaticContact CE2-CD2 3.13Å; F668-H677 WeakPolarHBondContact CE2-CD2 3.44Å; F668-H677 AromaticContact CE2-CG 3.56Å; F668-H677 AromaticContact CE2-NE2 3.94Å; F668-H677 HydrophobicContact CZ-CB 3.42Å; F668-H677 VanDerWaalsContact CZ-CB 3.42Å; F668-H677 AromaticContact CZ-CD2 3.38Å; F668-H677 WeakPolarHBondContact CZ-CD2 3.5Å; F668-H677 AromaticContact CZ-CG 3.28Å; A673-H677 WeakPolarHBondContact O-CB 3.46Å; A673-H677 PolarHBondContact O-N 2.89Å; L674-H677 CarbonylContact O-C 3.56Å; L674-H677 PolarHBondContact O-N 2.82Å; L674-H677 VanDerWaalsContact O-N 3.07Å; H677-R679 PolarHBondContact O-N 2.85Å; H677-S680 PolarHBondContact ND1-OG 2.96Å; H677-S680 WeakPolarHBondContact O-CA 3.29Å; H677-S680 WeakPolarHBondContact O-CB 3.37Å; H677-S680 PolarHBondContact O-N 3.19Å; H677-S680 PolarHBondContact O-OG 3.17Å; H677-H681 AromaticContact CD2-NE2 3.27Å; H677-H681 PolarHBondContact CD2-NE2 3.18Å; H677-H681 VanDerWaalsContact CD2-NE2 3.27Å; H677-H681 AromaticContact CE1-CD2 3.69Å; H677-H681 AromaticContact CE1-NE2 2.64Å; H677-H681 PolarHBondContact CE1-NE2 3.45Å; H677-H681 AromaticContact ND1-NE2 3.76Å; H677-H681 AromaticContact NE2-CD2 3.67Å; H677-H681 AromaticContact NE2-NE2 2.19Å; H677-H681 PolarHBondContact NE2-NE2 3.29Å
678	A	76.5	Confident	73.6	Confident	34 Å²	34	72.6 Å²	72.6	28%	0.281	37%	0.37	S	S	.	.	H	α-helix	trans	-55	-44.9	174.8	0	0	0	0	0	110.5	L674 S680 H681	L674-A678 PolarHBondContact O-N 3.08Å; A678-S680 PolarHBondContact O-N 2.9Å; A678-H681 WeakPolarHBondContact O-CB 3.3Å; A678-H681 PolarHBondContact O-N 2.94Å
679	R	76.3	Confident	73.5	Confident	143 Å²	143	70.6 Å²	70.6	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-6.8	172.6	-63.1	-179.5	-59.9	173.8	4	115.2	Q675 S676 H677 R683	Q675-R679 WeakPolarHBondContact O-CG 3.39Å; Q675-R679 PolarHBondContact O-N 3.08Å; Q675-R679 PolarHBondContact O-NE 3.4Å; S676-R679 PolarHBondContact OG-NH2 3.08Å; H677-R679 PolarHBondContact O-N 2.85Å; R679-R683 WeakPolarHBondContact O-CD 3.24Å; R679-R683 VanDerWaalsContact O-CG 3.27Å; R679-R683 WeakPolarHBondContact O-CG 3.31Å; R679-R683 PolarHBondContact O-NE 3.27Å
680	S	70.2	Confident	73.3	Confident	49 Å²	49	70.5 Å²	70.5	34%	0.343	37%	0.366	S	S	.	.	H	α-helix	trans	-89.7	-18.3	170	72.5	0	0	0	0	113.2	H677 A678 R683	H677-S680 PolarHBondContact ND1-OG 2.96Å; H677-S680 WeakPolarHBondContact O-CA 3.29Å; H677-S680 WeakPolarHBondContact O-CB 3.37Å; H677-S680 PolarHBondContact O-N 3.19Å; H677-S680 PolarHBondContact O-OG 3.17Å; A678-S680 PolarHBondContact O-N 2.9Å; S680-R683 PolarHBondContact O-N 3.36Å
681	H	72.4	Confident	72.7	Confident	71 Å²	71	71.1 Å²	71.1	33%	0.329	36%	0.364	S	S	.	.	H	α-helix	trans	-79.2	-32.9	173.2	-73	-77	0	0	0	113.1	C661 K663 C664 H677 A678 R683	C661-H681 PolarHBondContact SG-NE2 3.46Å; K663-H681 HydrophobicContact CB-CB 4.3Å; K663-H681 HydrophobicContact CD-CB 3.48Å; K663-H681 VanDerWaalsContact CD-CB 3.48Å; K663-H681 PolarHBondContact O-CE1 2.8Å; C664-H681 WeakPolarHBondContact CB-CE1 3.35Å; C664-H681 PolarHBondContact N-CE1 3.13Å; C664-H681 PolarHBondContact SG-CE1 3.36Å; C664-H681 PolarHBondContact SG-NE2 2.96Å; H677-H681 AromaticContact CD2-NE2 3.27Å; H677-H681 PolarHBondContact CD2-NE2 3.18Å; H677-H681 VanDerWaalsContact CD2-NE2 3.27Å; H677-H681 AromaticContact CE1-CD2 3.69Å; H677-H681 AromaticContact CE1-NE2 2.64Å; H677-H681 PolarHBondContact CE1-NE2 3.45Å; H677-H681 AromaticContact ND1-NE2 3.76Å; H677-H681 AromaticContact NE2-CD2 3.67Å; H677-H681 AromaticContact NE2-NE2 2.19Å; H677-H681 PolarHBondContact NE2-NE2 3.29Å; A678-H681 WeakPolarHBondContact O-CB 3.3Å; A678-H681 PolarHBondContact O-N 2.94Å; H681-R683 PolarHBondContact O-N 3.35Å
682	E	64.1	Low	72.4	Confident	125 Å²	125	68.4 Å²	68.4	58%	0.584	36%	0.356	S	S	*	.	S	Bend	trans	-71.7	-5.4	167.7	-71.1	100.2	-127.5	0	0	113	K663	K663-E682 IonicContact NZ-OE1 2.78Å; K663-E682 PolarHBondContact NZ-OE1 2.95Å
683	R	59.3	Low	71.7	Confident	168 Å²	168	66 Å²	66	63%	0.634	35%	0.352	S	S	*	.	S	Bend	trans	-109.1	94.5	-179.5	-70	177.7	-177.3	-166.9	-3.7	110.7	R679 S680 H681 N685	R679-R683 WeakPolarHBondContact O-CD 3.24Å; R679-R683 VanDerWaalsContact O-CG 3.27Å; R679-R683 WeakPolarHBondContact O-CG 3.31Å; R679-R683 PolarHBondContact O-NE 3.27Å; S680-R683 PolarHBondContact O-N 3.36Å; H681-R683 PolarHBondContact O-N 3.35Å; R683-N685 PolarHBondContact O-N 3.22Å
684	S	58.1	Low	71.4	Confident	65 Å²	65	71.2 Å²	71.2	46%	0.455	36%	0.363	S	S	.	.			trans	-45.1	112.1	164.2	150.6	0	0	0	0	110.9	P686 R725	S684-P686 VanDerWaalsContact O-CD 3.28Å; S684-P686 WeakPolarHBondContact O-CD 3.39Å; S684-R725 PolarHBondContact OG-NE 3.39Å; S684-R725 PolarHBondContact OG-NH2 3.42Å
685	N	65	Low	70.9	Confident	43 Å²	43	72.3 Å²	72.3	23%	0.23	37%	0.374	C	S	.	.			trans	-92	102.5	171.3	-74.6	-17.7	0	0	0	109.8	R683 S695 F696 P697	R683-N685 PolarHBondContact O-N 3.22Å; N685-S695 PolarHBondContact ND2-O 3.49Å; N685-S695 PolarHBondContact ND2-OG 2.88Å; N685-F696 CarbonylContact C-O 3.56Å; N685-F696 WeakPolarHBondContact CA-O 3.42Å; N685-F696 WeakPolarHBondContact CB-O 3.01Å; N685-P697 WeakPolarHBondContact OD1-CA 3.4Å; N685-P697 WeakPolarHBondContact OD1-CB 3.4Å; N685-P697 WeakPolarHBondContact OD1-CD 3.48Å
686	P	71.1	Confident	70.6	Confident	25 Å²	25	69 Å²	69	16%	0.162	36%	0.357	C	S	.	.			trans	-84.3	-13.3	-173.1	34	-35	0	0	0	114.2	S684 S724	S684-P686 VanDerWaalsContact O-CD 3.28Å; S684-P686 WeakPolarHBondContact O-CD 3.39Å; P686-S724 WeakPolarHBondContact CA-OG 3.48Å; P686-S724 PolarHBondContact O-N 2.85Å; P686-S724 VanDerWaalsContact O-N 3.14Å; P686-S724 PolarHBondContact O-OG 3.02Å
687	F	71.6	Confident	70.2	Confident	50 Å²	50	68.3 Å²	68.3	22%	0.219	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.6	-179.2	-56.6	-81.5	0	0	0	110	S695 F696 E699 I702	F687-S695 CarbonylContact O-C 3.47Å; F687-S695 VanDerWaalsContact O-CA 3.27Å; F687-S695 WeakPolarHBondContact O-CA 3.12Å; F687-F696 HydrophobicContact CB-CB 4.45Å; F687-F696 PolarHBondContact N-O 3.44Å; F687-F696 PolarHBondContact O-N 2.9Å; F687-E699 HydrophobicContact CD1-CG 4.47Å; F687-E699 HydrophobicContact CE1-CB 3.95Å; F687-E699 HydrophobicContact CE1-CG 4.01Å; F687-E699 HydrophobicContact CE2-CB 4.25Å; F687-E699 VanDerWaalsContact CE2-N 3.35Å; F687-E699 HydrophobicContact CZ-CB 3.79Å; F687-E699 HydrophobicContact CZ-CG 4.36Å; F687-I702 HydrophobicContact CB-CB 4.22Å; F687-I702 HydrophobicContact CB-CD1 4.04Å; F687-I702 HydrophobicContact CB-CG2 3.82Å; F687-I702 HydrophobicContact CD1-CG2 4.26Å; F687-I702 HydrophobicContact CG-CG2 4.1Å
688	V	70.2	Confident	69.9	Low	43 Å²	43	70.4 Å²	70.4	26%	0.261	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.7	178.5	-175.3	0	0	0	0	109.6	I702	V688-I702 VanDerWaalsContact C-CD1 3.48Å; V688-I702 WeakPolarHBondContact O-CD1 3.32Å
689	C	74.8	Confident	69.7	Low	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.375	C	S	.	.			trans	-87.4	116.7	174.4	174.8	0	0	0	0	110.6	V691 C692 D693 R694 F696 I702 H705 M706 H709	C689-V691 PolarHBondContact O-N 3.41Å; C689-V691 VanDerWaalsContact O-N 3.12Å; C689-C692 PolarHBondContact O-N 3.48Å; C689-D693 VanDerWaalsContact O-CA 3.24Å; C689-D693 WeakPolarHBondContact O-CA 3.35Å; C689-D693 PolarHBondContact O-N 3.18Å; C689-R694 PolarHBondContact N-O 2.84Å; C689-F696 HydrophobicContact CB-CE2 4.35Å; C689-I702 HydrophobicContact CB-CD1 4.19Å; C689-H705 PolarHBondContact SG-NE2 2.98Å; C689-H705 VanDerWaalsContact SG-NE2 3.39Å; C689-M706 HydrophobicContact CB-CE 3.91Å; C689-M706 VanDerWaalsContact SG-CE 3.6Å; C689-M706 VanDerWaalsContact SG-SD 3.7Å; C689-H709 PolarHBondContact SG-NE2 3.02Å
690	T	67.5	Low	69.8	Low	68 Å²	68	73.9 Å²	73.9	42%	0.417	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-1.8	-179.8	57.8	0	0	0	0	115	V720	T690-V720 VanDerWaalsContact CG2-O 3.29Å; T690-V720 WeakPolarHBondContact CG2-O 3.2Å; T690-V720 PolarHBondContact OG1-O 3.11Å
691	V	64	Low	70.2	Confident	65 Å²	65	79 Å²	79	39%	0.394	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-18.2	-179.3	-172.5	0	0	0	0	111.7	C689	C689-V691 PolarHBondContact O-N 3.41Å; C689-V691 VanDerWaalsContact O-N 3.12Å
692	C	72.9	Confident	70.4	Confident	48 Å²	48	76 Å²	76	32%	0.324	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.6	21.4	176.2	67.2	0	0	0	0	115	C689 R694 H705	C689-C692 PolarHBondContact O-N 3.48Å; C692-R694 PolarHBondContact O-N 2.89Å; C692-H705 PolarHBondContact SG-CE1 3.3Å; C692-H705 PolarHBondContact SG-NE2 3.05Å
693	D	69.8	Low	70.9	Confident	128 Å²	128	74.8 Å²	74.8	68%	0.684	38%	0.375	S	S	*	.			trans	51	17.7	176.8	-59.9	-49	0	0	0	117.3	C689 S695	C689-D693 VanDerWaalsContact O-CA 3.24Å; C689-D693 WeakPolarHBondContact O-CA 3.35Å; C689-D693 PolarHBondContact O-N 3.18Å; D693-S695 PolarHBondContact O-N 3.19Å
694	R	72.8	Confident	71.9	Confident	149 Å²	149	71.8 Å²	71.8	56%	0.562	38%	0.375	S	S	*	.			trans	-71.2	128.4	175.4	-69.2	179.3	-176.2	171.6	3.2	110.5	C689 C692 F696	C689-R694 PolarHBondContact N-O 2.84Å; C692-R694 PolarHBondContact O-N 2.89Å; R694-F696 HydrophobicContact CB-CE2 3.53Å; R694-F696 HydrophobicContact CB-CZ 3.67Å; R694-F696 WeakPolarHBondContact O-CD2 3.37Å; R694-F696 WeakPolarHBondContact O-CE2 3.36Å
695	S	72.5	Confident	72.8	Confident	59 Å²	59	69.3 Å²	69.3	41%	0.413	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	141.9	175.5	71.5	0	0	0	0	112.2	N685 F687 D693	N685-S695 PolarHBondContact ND2-O 3.49Å; N685-S695 PolarHBondContact ND2-OG 2.88Å; F687-S695 CarbonylContact O-C 3.47Å; F687-S695 VanDerWaalsContact O-CA 3.27Å; F687-S695 WeakPolarHBondContact O-CA 3.12Å; D693-S695 PolarHBondContact O-N 3.19Å
696	F	73.7	Confident	73	Confident	33 Å²	33	68.8 Å²	68.8	15%	0.145	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.9	-174.6	-60.6	-88.2	0	0	0	111.7	N685 F687 C689 R694 R701 I702 H705	N685-F696 CarbonylContact C-O 3.56Å; N685-F696 WeakPolarHBondContact CA-O 3.42Å; N685-F696 WeakPolarHBondContact CB-O 3.01Å; F687-F696 HydrophobicContact CB-CB 4.45Å; F687-F696 PolarHBondContact N-O 3.44Å; F687-F696 PolarHBondContact O-N 2.9Å; C689-F696 HydrophobicContact CB-CE2 4.35Å; R694-F696 HydrophobicContact CB-CE2 3.53Å; R694-F696 HydrophobicContact CB-CZ 3.67Å; R694-F696 WeakPolarHBondContact O-CD2 3.37Å; R694-F696 WeakPolarHBondContact O-CE2 3.36Å; F696-R701 HydrophobicContact CB-CB 4.22Å; F696-R701 HydrophobicContact CD1-CB 3.94Å; F696-R701 HydrophobicContact CG-CB 4.43Å; F696-I702 HydrophobicContact CB-CB 4.17Å; F696-I702 HydrophobicContact CD2-CB 3.8Å; F696-I702 HydrophobicContact CD2-CD1 4.27Å; F696-I702 HydrophobicContact CD2-CG1 4.01Å; F696-I702 HydrophobicContact CE2-CG1 4.4Å; F696-I702 HydrophobicContact CG-CB 4.08Å; F696-H705 HydrophobicContact CE1-CB 3.9Å; F696-H705 HydrophobicContact CE2-CB 4.08Å; F696-H705 AromaticContact CE2-CD2 3.25Å; F696-H705 WeakPolarHBondContact CE2-CD2 3.47Å; F696-H705 AromaticContact CE2-CG 3.83Å; F696-H705 HydrophobicContact CZ-CB 3.51Å; F696-H705 AromaticContact CZ-CD2 3.25Å; F696-H705 WeakPolarHBondContact CZ-CD2 3.36Å; F696-H705 AromaticContact CZ-CG 3.35Å
697	P	71.4	Confident	73	Confident	51 Å²	51	74.6 Å²	74.6	33%	0.331	38%	0.375	S	S	.	.	S	Bend	trans	-79.6	-19.5	-177.5	30.8	-35.8	0	0	0	113.7	N685	N685-P697 WeakPolarHBondContact OD1-CA 3.4Å; N685-P697 WeakPolarHBondContact OD1-CB 3.4Å; N685-P697 WeakPolarHBondContact OD1-CD 3.48Å
698	T	74.5	Confident	72.9	Confident	61 Å²	61	74.5 Å²	74.5	37%	0.374	38%	0.381	S	S	.	.	S	Bend	trans	-143.9	148	-173.3	54.6	0	0	0	0	111.3	Q700 R701 I702	T698-Q700 PolarHBondContact O-N 3.35Å; T698-R701 PolarHBondContact O-N 3.25Å; T698-R701 WeakPolarHBondContact OG1-CG 3.39Å; T698-I702 PolarHBondContact O-N 3.36Å
699	E	72.6	Confident	72.7	Confident	103 Å²	103	73.7 Å²	73.7	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-45.1	-176.4	-161.6	-168.4	144.1	0	0	112.2	F687 R701 I702 Q703	F687-E699 HydrophobicContact CD1-CG 4.47Å; F687-E699 HydrophobicContact CE1-CB 3.95Å; F687-E699 HydrophobicContact CE1-CG 4.01Å; F687-E699 HydrophobicContact CE2-CB 4.25Å; F687-E699 VanDerWaalsContact CE2-N 3.35Å; F687-E699 HydrophobicContact CZ-CB 3.79Å; F687-E699 HydrophobicContact CZ-CG 4.36Å; E699-R701 PolarHBondContact O-N 3.27Å; E699-I702 HydrophobicContact CG-CG2 4.43Å; E699-I702 WeakPolarHBondContact O-CG2 3.27Å; E699-I702 PolarHBondContact O-N 3.3Å; E699-Q703 HydrophobicContact CG-CG 4.42Å; E699-Q703 WeakPolarHBondContact O-CG 3.42Å; E699-Q703 PolarHBondContact O-N 3.12Å; E699-Q703 PolarHBondContact OE1-NE2 3.15Å
700	Q	77.8	Confident	71.9	Confident	148 Å²	148	78 Å²	78	69%	0.692	40%	0.401	S	S	*	.	H	α-helix	trans	-52.6	-33.3	175.9	-66.6	172.8	-15.1	0	0	113.1	T698 V704	T698-Q700 PolarHBondContact O-N 3.35Å; Q700-V704 VanDerWaalsContact O-CG2 3.32Å; Q700-V704 WeakPolarHBondContact O-CG2 3.47Å; Q700-V704 PolarHBondContact O-N 2.84Å
701	R	78.2	Confident	71.3	Confident	157 Å²	157	82.4 Å²	82.4	59%	0.592	42%	0.416	S	S	*	.	H	α-helix	trans	-77.9	-34.8	179.1	-75.7	-176.7	172.7	-158	-2.5	113	F696 T698 E699 H705	F696-R701 HydrophobicContact CB-CB 4.22Å; F696-R701 HydrophobicContact CD1-CB 3.94Å; F696-R701 HydrophobicContact CG-CB 4.43Å; T698-R701 PolarHBondContact O-N 3.25Å; T698-R701 WeakPolarHBondContact OG1-CG 3.39Å; E699-R701 PolarHBondContact O-N 3.27Å; R701-H705 WeakPolarHBondContact O-CB 3.43Å; R701-H705 PolarHBondContact O-N 3.44Å
702	I	77.6	Confident	70.7	Confident	7 Å²	7	87.3 Å²	87.3	4%	0.036	43%	0.428	C	S	.	.	H	α-helix	trans	-71.7	-37.2	170.6	-172.4	165.6	0	0	0	110.6	F687 V688 C689 F696 T698 E699 H705 M706	F687-I702 HydrophobicContact CB-CB 4.22Å; F687-I702 HydrophobicContact CB-CD1 4.04Å; F687-I702 HydrophobicContact CB-CG2 3.82Å; F687-I702 HydrophobicContact CD1-CG2 4.26Å; F687-I702 HydrophobicContact CG-CG2 4.1Å; V688-I702 VanDerWaalsContact C-CD1 3.48Å; V688-I702 WeakPolarHBondContact O-CD1 3.32Å; C689-I702 HydrophobicContact CB-CD1 4.19Å; F696-I702 HydrophobicContact CB-CB 4.17Å; F696-I702 HydrophobicContact CD2-CB 3.8Å; F696-I702 HydrophobicContact CD2-CD1 4.27Å; F696-I702 HydrophobicContact CD2-CG1 4.01Å; F696-I702 HydrophobicContact CE2-CG1 4.4Å; F696-I702 HydrophobicContact CG-CB 4.08Å; T698-I702 PolarHBondContact O-N 3.36Å; E699-I702 HydrophobicContact CG-CG2 4.43Å; E699-I702 WeakPolarHBondContact O-CG2 3.27Å; E699-I702 PolarHBondContact O-N 3.3Å; I702-H705 CarbonylContact O-C 3.51Å; I702-H705 WeakPolarHBondContact O-CB 3.28Å; I702-H705 PolarHBondContact O-N 2.88Å; I702-H705 VanDerWaalsContact O-N 3.16Å; I702-M706 HydrophobicContact CD1-CE 3.92Å; I702-M706 HydrophobicContact CG1-CE 3.85Å; I702-M706 HydrophobicContact CG1-CG 4.42Å; I702-M706 WeakPolarHBondContact O-CG 3.19Å; I702-M706 PolarHBondContact O-N 2.91Å
703	Q	73.5	Confident	69.4	Low	100 Å²	100	90.2 Å²	90.2	47%	0.467	45%	0.446	S	S	.	.	H	α-helix	trans	-59.4	-47.8	173.2	-69.5	177.5	3.5	0	0	112.3	E699 H705 M706 K707	E699-Q703 HydrophobicContact CG-CG 4.42Å; E699-Q703 WeakPolarHBondContact O-CG 3.42Å; E699-Q703 PolarHBondContact O-N 3.12Å; E699-Q703 PolarHBondContact OE1-NE2 3.15Å; Q703-H705 VanDerWaalsContact C-N 3.29Å; Q703-H705 PolarHBondContact O-N 3.21Å; Q703-M706 PolarHBondContact O-N 3.04Å; Q703-K707 PolarHBondContact O-N 2.82Å
704	V	79.5	Confident	68.1	Low	104 Å²	104	91.6 Å²	91.6	63%	0.63	45%	0.448	S	S	*	.	H	α-helix	trans	-62.4	-36.2	174.4	169	0	0	0	0	111.5	Q700 K707	Q700-V704 VanDerWaalsContact O-CG2 3.32Å; Q700-V704 WeakPolarHBondContact O-CG2 3.47Å; Q700-V704 PolarHBondContact O-N 2.84Å; V704-K707 PolarHBondContact O-N 3.29Å
705	H	77.7	Confident	66.6	Low	14 Å²	14	90.5 Å²	90.5	7%	0.065	45%	0.453	C	S	.	.	H	α-helix	trans	-68.9	-36.6	173.4	170.7	46	0	0	0	113.1	C689 C692 F696 R701 I702 Q703 K707 S708 H709	C689-H705 PolarHBondContact SG-NE2 2.98Å; C689-H705 VanDerWaalsContact SG-NE2 3.39Å; C692-H705 PolarHBondContact SG-CE1 3.3Å; C692-H705 PolarHBondContact SG-NE2 3.05Å; F696-H705 HydrophobicContact CE1-CB 3.9Å; F696-H705 HydrophobicContact CE2-CB 4.08Å; F696-H705 AromaticContact CE2-CD2 3.25Å; F696-H705 WeakPolarHBondContact CE2-CD2 3.47Å; F696-H705 AromaticContact CE2-CG 3.83Å; F696-H705 HydrophobicContact CZ-CB 3.51Å; F696-H705 AromaticContact CZ-CD2 3.25Å; F696-H705 WeakPolarHBondContact CZ-CD2 3.36Å; F696-H705 AromaticContact CZ-CG 3.35Å; R701-H705 WeakPolarHBondContact O-CB 3.43Å; R701-H705 PolarHBondContact O-N 3.44Å; I702-H705 CarbonylContact O-C 3.51Å; I702-H705 WeakPolarHBondContact O-CB 3.28Å; I702-H705 PolarHBondContact O-N 2.88Å; I702-H705 VanDerWaalsContact O-N 3.16Å; Q703-H705 VanDerWaalsContact C-N 3.29Å; Q703-H705 PolarHBondContact O-N 3.21Å; H705-K707 PolarHBondContact O-N 3.23Å; H705-S708 PolarHBondContact ND1-OG 2.69Å; H705-S708 VanDerWaalsContact ND1-OG 3.07Å; H705-S708 WeakPolarHBondContact O-CA 3.39Å; H705-S708 WeakPolarHBondContact O-CB 3.35Å; H705-S708 PolarHBondContact O-N 3.42Å; H705-S708 PolarHBondContact O-OG 2.81Å; H705-H709 AromaticContact CE1-CE1 3.55Å; H705-H709 AromaticContact CE1-NE2 3.22Å; H705-H709 PolarHBondContact CE1-NE2 2.63Å; H705-H709 AromaticContact NE2-CE1 3.84Å; H705-H709 AromaticContact NE2-NE2 3.18Å; H705-H709 PolarHBondContact NE2-NE2 3.3Å; H705-H709 VanDerWaalsContact NE2-NE2 3.18Å
706	M	68.4	Low	65.4	Low	32 Å²	32	91.1 Å²	91.1	16%	0.158	46%	0.458	C	S	.	.	H	α-helix	trans	-61.3	-32.2	176.3	-68	-54.5	-175.3	0	0	111.8	C689 I702 Q703 S708 H709 V710 V719	C689-M706 HydrophobicContact CB-CE 3.91Å; C689-M706 VanDerWaalsContact SG-CE 3.6Å; C689-M706 VanDerWaalsContact SG-SD 3.7Å; I702-M706 HydrophobicContact CD1-CE 3.92Å; I702-M706 HydrophobicContact CG1-CE 3.85Å; I702-M706 HydrophobicContact CG1-CG 4.42Å; I702-M706 WeakPolarHBondContact O-CG 3.19Å; I702-M706 PolarHBondContact O-N 2.91Å; Q703-M706 PolarHBondContact O-N 3.04Å; M706-S708 VanDerWaalsContact C-N 3.25Å; M706-S708 PolarHBondContact O-N 2.88Å; M706-H709 PolarHBondContact O-N 2.93Å; M706-V710 PolarHBondContact O-N 3.39Å; M706-V719 HydrophobicContact CE-CG1 3.55Å; M706-V719 HydrophobicContact CG-CG1 4.45Å; M706-V719 HydrophobicContact SD-CG1 3.75Å
707	K	72.3	Confident	64.3	Low	146 Å²	146	91.8 Å²	91.8	64%	0.635	46%	0.461	S	S	*	.	H	α-helix	trans	-59.6	-33.2	171.1	-62.9	-170.8	176.7	-168.4	0	113.1	Q703 V704 H705 H709 V710 E711	Q703-K707 PolarHBondContact O-N 2.82Å; V704-K707 PolarHBondContact O-N 3.29Å; H705-K707 PolarHBondContact O-N 3.23Å; K707-H709 PolarHBondContact O-N 3.3Å; K707-V710 WeakPolarHBondContact O-CB 3.45Å; K707-V710 PolarHBondContact O-N 2.9Å; K707-E711 PolarHBondContact O-N 3.43Å
708	S	69	Low	63.2	Low	48 Å²	48	91.8 Å²	91.8	34%	0.336	46%	0.458	S	S	.	.	H	α-helix	trans	-72.4	-4.6	174.8	66.9	0	0	0	0	114.9	H705 M706	H705-S708 PolarHBondContact ND1-OG 2.69Å; H705-S708 VanDerWaalsContact ND1-OG 3.07Å; H705-S708 WeakPolarHBondContact O-CA 3.39Å; H705-S708 WeakPolarHBondContact O-CB 3.35Å; H705-S708 PolarHBondContact O-N 3.42Å; H705-S708 PolarHBondContact O-OG 2.81Å; M706-S708 VanDerWaalsContact C-N 3.25Å; M706-S708 PolarHBondContact O-N 2.88Å
709	H	66.2	Low	62.1	Low	27 Å²	27	89.5 Å²	89.5	13%	0.125	44%	0.444	C	S	.	.	H	α-helix	trans	-92.3	-32.5	163.8	-59.9	-57.3	0	0	0	111.7	C689 H705 M706 K707 E711 R712	C689-H709 PolarHBondContact SG-NE2 3.02Å; H705-H709 AromaticContact CE1-CE1 3.55Å; H705-H709 AromaticContact CE1-NE2 3.22Å; H705-H709 PolarHBondContact CE1-NE2 2.63Å; H705-H709 AromaticContact NE2-CE1 3.84Å; H705-H709 AromaticContact NE2-NE2 3.18Å; H705-H709 PolarHBondContact NE2-NE2 3.3Å; H705-H709 VanDerWaalsContact NE2-NE2 3.18Å; M706-H709 PolarHBondContact O-N 2.93Å; K707-H709 PolarHBondContact O-N 3.3Å; H709-E711 PolarHBondContact O-N 3.43Å; H709-R712 PolarHBondContact O-N 2.97Å; H709-R712 VanDerWaalsContact O-N 3.1Å
710	V	58.8	Low	61.2	Low	91 Å²	91	85.9 Å²	85.9	55%	0.552	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-26.2	174.8	-175.9	0	0	0	0	112	M706 K707 R712 L735	M706-V710 PolarHBondContact O-N 3.39Å; K707-V710 WeakPolarHBondContact O-CB 3.45Å; K707-V710 PolarHBondContact O-N 2.9Å; V710-R712 PolarHBondContact O-N 2.97Å; V710-R712 VanDerWaalsContact O-N 3.12Å; V710-L735 HydrophobicContact CG2-CD1 4.07Å
711	E	55	Low	60.1	Low	159 Å²	159	80 Å²	80	74%	0.743	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	9.1	172.1	-68.2	173.8	168.1	0	0	114	K707 H709	K707-E711 PolarHBondContact O-N 3.43Å; H709-E711 PolarHBondContact O-N 3.43Å
712	R	51	Low	59.1	Low	168 Å²	168	78.5 Å²	78.5	63%	0.634	40%	0.397	S	S	*	.			trans	-121.3	96.8	172.3	-65.2	-166.3	66.2	168.6	-1.2	110.5	H709 V710 E714	H709-R712 PolarHBondContact O-N 2.97Å; H709-R712 VanDerWaalsContact O-N 3.1Å; V710-R712 PolarHBondContact O-N 2.97Å; V710-R712 VanDerWaalsContact O-N 3.12Å; R712-E714 VanDerWaalsContact C-N 3.25Å; R712-E714 PolarHBondContact O-N 3.31Å
713	P	44.3	Very low	58.1	Low	110 Å²	110	80.6 Å²	80.6	71%	0.714	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	5.2	-164.6	-21.9	34.7	0	0	0	118.2
714	E	44.2	Very low	57	Low	156 Å²	156	78.9 Å²	78.9	73%	0.729	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-4	-155.9	-67.5	166.4	-114.4	0	0	115.3	R712	R712-E714 VanDerWaalsContact C-N 3.25Å; R712-E714 PolarHBondContact O-N 3.31Å
715	L	40.9	Very low	55.9	Low	126 Å²	126	82.7 Å²	82.7	66%	0.66	41%	0.411	S	S	*	.	S	Bend	trans	-144	135.3	-176.6	-73.5	171.7	0	0	0	111.6	H717	L715-H717 WeakPolarHBondContact CB-CE1 3.38Å; L715-H717 PolarHBondContact O-N 3.11Å
716	S	46	Very low	55.5	Low	73 Å²	73	85.4 Å²	85.4	51%	0.51	43%	0.428	S	S	.	.			trans	-67.3	125.1	164.4	47.6	0	0	0	0	109.2
717	H	52.1	Low	54.8	Low	46 Å²	46	92.1 Å²	92.1	21%	0.213	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.2	-166.1	-79.3	-32.6	0	0	0	112	L715 V719 L735	L715-H717 WeakPolarHBondContact CB-CE1 3.38Å; L715-H717 PolarHBondContact O-N 3.11Å; H717-V719 HydrophobicContact CB-CG2 4.46Å; H717-L735 PolarHBondContact N-O 2.92Å; H717-L735 PolarHBondContact O-N 3.24Å; H717-L735 VanDerWaalsContact O-N 3.1Å
718	L	47.4	Very low	53.7	Low	52 Å²	52	90 Å²	90	27%	0.272	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	98.8	175.3	-163.6	147.9	0	0	0	109.1	V720 I732 Y734 L749	L718-V720 HydrophobicContact CD2-CG2 3.77Å; L718-I732 HydrophobicContact CD2-CG2 3.6Å; L718-I732 HydrophobicContact CG-CG2 3.99Å; L718-Y734 HydrophobicContact CD1-CD2 4.25Å; L718-L749 HydrophobicContact CD1-CD1 3.52Å; L718-L749 HydrophobicContact CD2-CD1 3.84Å; L718-L749 HydrophobicContact CG-CD1 4.3Å
719	V	52.6	Low	52.9	Low	12 Å²	12	93 Å²	93	7%	0.073	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110	-170.4	-178.7	0	0	0	0	110.2	M706 H717 I732 I733	M706-V719 HydrophobicContact CE-CG1 3.55Å; M706-V719 HydrophobicContact CG-CG1 4.45Å; M706-V719 HydrophobicContact SD-CG1 3.75Å; H717-V719 HydrophobicContact CB-CG2 4.46Å; V719-I732 WeakPolarHBondContact O-CA 3.38Å; V719-I733 HydrophobicContact CB-CB 4.43Å; V719-I733 PolarHBondContact N-O 3.11Å; V719-I733 PolarHBondContact O-N 3.11Å
720	V	53.4	Low	52.6	Low	28 Å²	28	95.8 Å²	95.8	17%	0.17	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.1	179	-175.7	0	0	0	0	110.4	T690 L718 R722 F729 I732	T690-V720 VanDerWaalsContact CG2-O 3.29Å; T690-V720 WeakPolarHBondContact CG2-O 3.2Å; T690-V720 PolarHBondContact OG1-O 3.11Å; L718-V720 HydrophobicContact CD2-CG2 3.77Å; V720-R722 HydrophobicContact CG1-CG 4.47Å; V720-F729 HydrophobicContact CG1-CD1 3.87Å; V720-F729 HydrophobicContact CG1-CE1 4.17Å; V720-I732 HydrophobicContact CG1-CG1 4.47Å; V720-I732 HydrophobicContact CG2-CG1 4.36Å
721	V	54	Low	52.6	Low	24 Å²	24	95.4 Å²	95.4	15%	0.145	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.8	174.2	-173	0	0	0	0	109.4	V730 K731	V721-V730 HydrophobicContact CB-CB 4.14Å; V721-V730 HydrophobicContact CG1-CB 3.91Å; V721-V730 HydrophobicContact CG1-CG1 4.33Å; V721-V730 HydrophobicContact CG1-CG2 4.34Å; V721-V730 PolarHBondContact O-N 3.33Å; V721-K731 HydrophobicContact CB-CB 4.38Å; V721-K731 HydrophobicContact CG2-CB 4.38Å; V721-K731 PolarHBondContact N-O 3.22Å
722	R	56.5	Low	52.6	Low	126 Å²	126	88.1 Å²	88.1	48%	0.475	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.8	171.7	-84.9	177.1	169.1	153.9	-6.9	111.2	V720 N728 F729	V720-R722 HydrophobicContact CG1-CG 4.47Å; R722-N728 WeakPolarHBondContact CA-O 3.49Å; R722-F729 HydrophobicContact CG-CD1 4.21Å; R722-F729 VanDerWaalsContact NH2-CE1 3.32Å
723	N	57.2	Low	52.9	Low	50 Å²	50	82 Å²	82	27%	0.267	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120	170.1	177.6	-29.6	0	0	0	109.3	R725 T726 K727 N728 V730	N723-R725 VanDerWaalsContact C-N 3.25Å; N723-R725 PolarHBondContact O-N 2.9Å; N723-R725 PolarHBondContact OD1-N 2.72Å; N723-T726 WeakPolarHBondContact CB-OG1 3.36Å; N723-T726 VanDerWaalsContact CG-OG1 3.31Å; N723-T726 PolarHBondContact OD1-N 3.48Å; N723-K727 VanDerWaalsContact O-CA 3.26Å; N723-K727 WeakPolarHBondContact O-CA 3.47Å; N723-K727 PolarHBondContact O-N 2.79Å; N723-N728 PolarHBondContact N-O 2.72Å; N723-V730 HydrophobicContact CB-CG2 4.03Å
724	S	50.2	Low	53.1	Low	65 Å²	65	78 Å²	78	46%	0.455	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.7	-174.3	67	0	0	0	0	114.5	P686	P686-S724 WeakPolarHBondContact CA-OG 3.48Å; P686-S724 PolarHBondContact O-N 2.85Å; P686-S724 VanDerWaalsContact O-N 3.14Å; P686-S724 PolarHBondContact O-OG 3.02Å
725	R	56.5	Low	53.5	Low	183 Å²	183	72.5 Å²	72.5	69%	0.691	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-41.4	178.8	-67.6	-174.7	174.2	-155.8	-0.7	113.2	S684 N723	S684-R725 PolarHBondContact OG-NE 3.39Å; S684-R725 PolarHBondContact OG-NH2 3.42Å; N723-R725 VanDerWaalsContact C-N 3.25Å; N723-R725 PolarHBondContact O-N 2.9Å; N723-R725 PolarHBondContact OD1-N 2.72Å
726	T	69.5	Low	54	Low	71 Å²	71	71.2 Å²	71.2	44%	0.436	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-13.1	-177.8	60.1	0	0	0	0	113.4	N723 N728	N723-T726 WeakPolarHBondContact CB-OG1 3.36Å; N723-T726 VanDerWaalsContact CG-OG1 3.31Å; N723-T726 PolarHBondContact OD1-N 3.48Å; T726-N728 PolarHBondContact O-N 3.25Å; T726-N728 PolarHBondContact O-OD1 3.28Å; T726-N728 WeakPolarHBondContact OG1-CB 3.29Å; T726-N728 PolarHBondContact OG1-N 3.11Å
727	K	54.1	Low	53.9	Low	173 Å²	173	73.2 Å²	73.2	75%	0.752	37%	0.365	S	S	*	.			trans	60.7	-3.8	-165.9	-58.9	-177.1	178.8	179.6	0	115	N723	N723-K727 VanDerWaalsContact O-CA 3.26Å; N723-K727 WeakPolarHBondContact O-CA 3.47Å; N723-K727 PolarHBondContact O-N 2.79Å
728	N	49.6	Very low	53.8	Low	101 Å²	101	75 Å²	75	54%	0.54	40%	0.396	S	S	.	.			trans	-58.9	139.1	179.5	-63.9	2.1	0	0	0	111	R722 N723 T726	R722-N728 WeakPolarHBondContact CA-O 3.49Å; N723-N728 PolarHBondContact N-O 2.72Å; T726-N728 PolarHBondContact O-N 3.25Å; T726-N728 PolarHBondContact O-OD1 3.28Å; T726-N728 WeakPolarHBondContact OG1-CB 3.29Å; T726-N728 PolarHBondContact OG1-N 3.11Å
729	F	52.3	Low	53.9	Low	111 Å²	111	79.2 Å²	79.2	49%	0.487	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	139.7	160.9	-58.3	-91	0	0	0	109.1	V720 R722	V720-F729 HydrophobicContact CG1-CD1 3.87Å; V720-F729 HydrophobicContact CG1-CE1 4.17Å; R722-F729 HydrophobicContact CG-CD1 4.21Å; R722-F729 VanDerWaalsContact NH2-CE1 3.32Å
730	V	60.2	Low	53.6	Low	86 Å²	86	86.8 Å²	86.8	52%	0.521	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-41.1	-179.4	-178.1	0	0	0	0	110.6	V721 N723	V721-V730 HydrophobicContact CB-CB 4.14Å; V721-V730 HydrophobicContact CG1-CB 3.91Å; V721-V730 HydrophobicContact CG1-CG1 4.33Å; V721-V730 HydrophobicContact CG1-CG2 4.34Å; V721-V730 PolarHBondContact O-N 3.33Å; N723-V730 HydrophobicContact CB-CG2 4.03Å
731	K	57.9	Low	53.6	Low	84 Å²	84	89.5 Å²	89.5	37%	0.365	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	150.2	-179.4	-154.5	173.1	-178.8	68	0	110.5	V721 I733 D743	V721-K731 HydrophobicContact CB-CB 4.38Å; V721-K731 HydrophobicContact CG2-CB 4.38Å; V721-K731 PolarHBondContact N-O 3.22Å; K731-I733 HydrophobicContact CD-CD1 4.05Å; K731-I733 HydrophobicContact CD-CG1 3.94Å; K731-I733 HydrophobicContact CG-CG1 4.1Å; K731-D743 WeakPolarHBondContact CE-OD1 3.43Å; K731-D743 WeakPolarHBondContact CG-OD1 3.39Å; K731-D743 IonicContact NZ-OD1 3.88Å; K731-D743 PolarHBondContact NZ-OD1 2.8Å; K731-D743 IonicContact NZ-OD2 3.98Å; K731-D743 PolarHBondContact NZ-OD2 2.87Å
732	I	54.5	Low	53.5	Low	5 Å²	5	92 Å²	92	3%	0.026	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121	163.4	-58.3	-179	0	0	0	107	L718 V719 V720 V744 V746 L749	L718-I732 HydrophobicContact CD2-CG2 3.6Å; L718-I732 HydrophobicContact CG-CG2 3.99Å; V719-I732 WeakPolarHBondContact O-CA 3.38Å; V720-I732 HydrophobicContact CG1-CG1 4.47Å; V720-I732 HydrophobicContact CG2-CG1 4.36Å; I732-V744 HydrophobicContact CB-CB 4.49Å; I732-V744 HydrophobicContact CG2-CB 4.26Å; I732-V744 PolarHBondContact O-N 2.9Å; I732-V746 HydrophobicContact CD1-CG2 4.32Å; I732-L749 HydrophobicContact CD1-CD2 4.11Å
733	I	58	Low	53.4	Low	41 Å²	41	90.6 Å²	90.6	21%	0.21	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126	176.6	-57.3	175.8	0	0	0	108.1	V719 K731 L735 P741	V719-I733 HydrophobicContact CB-CB 4.43Å; V719-I733 PolarHBondContact N-O 3.11Å; V719-I733 PolarHBondContact O-N 3.11Å; K731-I733 HydrophobicContact CD-CD1 4.05Å; K731-I733 HydrophobicContact CD-CG1 3.94Å; K731-I733 HydrophobicContact CG-CG1 4.1Å; I733-L735 HydrophobicContact CG2-CD1 4.42Å; I733-L735 HydrophobicContact CG2-CG 4.31Å; I733-P741 HydrophobicContact CG2-CB 3.46Å; I733-P741 VanDerWaalsContact CG2-CB 3.46Å
734	Y	47.8	Very low	53.3	Low	26 Å²	26	89 Å²	89	10%	0.102	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.5	168.7	-174.3	-113.9	0	0	0	109.8	L718 E736 V742 M756	L718-Y734 HydrophobicContact CD1-CD2 4.25Å; Y734-E736 HydrophobicContact CD1-CB 4.41Å; Y734-E736 HydrophobicContact CE1-CB 3.74Å; Y734-E736 HydrophobicContact CE1-CG 3.99Å; Y734-V742 PolarHBondContact N-O 3.49Å; Y734-V742 PolarHBondContact O-N 2.94Å; Y734-M756 HydrophobicContact CE2-SD 4.45Å
735	L	53.4	Low	53.6	Low	40 Å²	40	92.4 Å²	92.4	21%	0.209	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	100.6	176.3	-82.6	157.1	0	0	0	108.4	V710 H717 I733 P741	V710-L735 HydrophobicContact CG2-CD1 4.07Å; H717-L735 PolarHBondContact N-O 2.92Å; H717-L735 PolarHBondContact O-N 3.24Å; H717-L735 VanDerWaalsContact O-N 3.1Å; I733-L735 HydrophobicContact CG2-CD1 4.42Å; I733-L735 HydrophobicContact CG2-CG 4.31Å; L735-P741 HydrophobicContact CD2-CB 3.82Å; L735-P741 HydrophobicContact CD2-CG 4.45Å; L735-P741 HydrophobicContact CG-CB 4.15Å
736	E	50.5	Low	53.3	Low	98 Å²	98	87.6 Å²	87.6	46%	0.458	48%	0.476	S	S	.	.			trans	-87.1	152.1	165.4	-140.7	163.5	-173.9	0	0	109	Y734 G738 E739	Y734-E736 HydrophobicContact CD1-CB 4.41Å; Y734-E736 HydrophobicContact CE1-CB 3.74Å; Y734-E736 HydrophobicContact CE1-CG 3.99Å; E736-G738 PolarHBondContact O-N 2.73Å; E736-G738 VanDerWaalsContact O-N 3.11Å; E736-E739 PolarHBondContact O-N 2.72Å
737	S	43.8	Very low	52.4	Low	115 Å²	115	90.8 Å²	90.8	80%	0.804	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	111.8	-167.3	-165.6	0	0	0	0	111.9
738	G	49.7	Very low	52.5	Low	84 Å²	84	87.2 Å²	87.2	87%	0.866	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.3	-11.1	176.5	0	0	0	0	0	115.8	E736	E736-G738 PolarHBondContact O-N 2.73Å; E736-G738 VanDerWaalsContact O-N 3.11Å
739	E	50.5	Low	52.4	Low	140 Å²	140	84.7 Å²	84.7	65%	0.654	46%	0.463	S	S	*	.	S	Bend	trans	-100.4	168.7	-178.5	-63	-150.3	155.5	0	0	114.1	E736	E736-E739 PolarHBondContact O-N 2.72Å
740	Q	47	Very low	52.2	Low	172 Å²	172	81.8 Å²	81.8	80%	0.804	46%	0.464	S	S	*	.			trans	-72.9	145.2	172.6	-66.7	-168.2	14.7	0	0	110.7	V742	Q740-V742 WeakPolarHBondContact O-CG2 3.29Å; Q740-V742 PolarHBondContact O-N 2.93Å; Q740-V742 VanDerWaalsContact O-N 3.1Å
741	P	51.7	Low	51.9	Low	84 Å²	84	83 Å²	83	55%	0.545	46%	0.464	S	S	.	.			trans	-57.6	115.2	-179.8	19.8	-31.6	0	0	0	112.3	I733 L735	I733-P741 HydrophobicContact CG2-CB 3.46Å; I733-P741 VanDerWaalsContact CG2-CB 3.46Å; L735-P741 HydrophobicContact CD2-CB 3.82Å; L735-P741 HydrophobicContact CD2-CG 4.45Å; L735-P741 HydrophobicContact CG-CB 4.15Å
742	V	53.4	Low	51.5	Low	77 Å²	77	81.2 Å²	81.2	47%	0.467	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.3	179.9	-176	0	0	0	0	110.2	Y734 Q740 V744	Y734-V742 PolarHBondContact N-O 3.49Å; Y734-V742 PolarHBondContact O-N 2.94Å; Q740-V742 WeakPolarHBondContact O-CG2 3.29Å; Q740-V742 PolarHBondContact O-N 2.93Å; Q740-V742 VanDerWaalsContact O-N 3.1Å; V742-V744 PolarHBondContact O-N 2.77Å
743	D	54.3	Low	50.9	Low	96 Å²	96	83.7 Å²	83.7	51%	0.513	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	104.6	178.9	-157.3	23.3	0	0	0	109.8	K731	K731-D743 WeakPolarHBondContact CE-OD1 3.43Å; K731-D743 WeakPolarHBondContact CG-OD1 3.39Å; K731-D743 IonicContact NZ-OD1 3.88Å; K731-D743 PolarHBondContact NZ-OD1 2.8Å; K731-D743 IonicContact NZ-OD2 3.98Å; K731-D743 PolarHBondContact NZ-OD2 2.87Å
744	V	54.5	Low	50.5	Low	18 Å²	18	83.4 Å²	83.4	11%	0.109	48%	0.481	C	S	.	.			trans	-93.8	118.7	-170.3	176.7	0	0	0	0	110.7	I732 V742 H748 L752	I732-V744 HydrophobicContact CB-CB 4.49Å; I732-V744 HydrophobicContact CG2-CB 4.26Å; I732-V744 PolarHBondContact O-N 2.9Å; V742-V744 PolarHBondContact O-N 2.77Å; V744-H748 HydrophobicContact CG1-CB 4.38Å; V744-L752 HydrophobicContact CG1-CD1 3.76Å; V744-L752 HydrophobicContact CG2-CD1 4.26Å
745	Q	55.9	Low	50.8	Low	135 Å²	135	87.4 Å²	87.4	63%	0.631	50%	0.499	S	S	*	.			trans	-66.5	140.5	170.4	-68.9	-175.7	-10.3	0	0	110.7	D747 H748	Q745-D747 PolarHBondContact O-N 2.74Å; Q745-D747 VanDerWaalsContact O-N 3.11Å; Q745-H748 PolarHBondContact O-N 3.09Å
746	V	51.2	Low	50.1	Low	82 Å²	82	89 Å²	89	50%	0.497	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.7	-169.8	-179	0	0	0	0	112.5	I732 H748 L749	I732-V746 HydrophobicContact CD1-CG2 4.32Å; V746-H748 VanDerWaalsContact C-N 3.27Å; V746-H748 PolarHBondContact O-N 2.88Å; V746-L749 WeakPolarHBondContact O-CB 3.41Å; V746-L749 PolarHBondContact O-N 3.25Å; V746-L749 VanDerWaalsContact O-N 3.11Å
747	D	50.5	Low	49.9	Very low	138 Å²	138	89.8 Å²	89.8	74%	0.738	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.9	-177.2	-46	-62.4	0	0	0	112.9	Q745 L749	Q745-D747 PolarHBondContact O-N 2.74Å; Q745-D747 VanDerWaalsContact O-N 3.11Å; D747-L749 VanDerWaalsContact C-N 3.31Å; D747-L749 PolarHBondContact O-N 3.11Å
748	H	55.3	Low	50.2	Low	99 Å²	99	88 Å²	88	46%	0.458	50%	0.5	S	S	.	.	H	α-helix	trans	-80.9	-9.3	178.7	-68.2	79.2	0	0	0	113.3	V744 Q745 V746 G750 E751 L752	V744-H748 HydrophobicContact CG1-CB 4.38Å; Q745-H748 PolarHBondContact O-N 3.09Å; V746-H748 VanDerWaalsContact C-N 3.27Å; V746-H748 PolarHBondContact O-N 2.88Å; H748-G750 VanDerWaalsContact C-N 3.31Å; H748-G750 PolarHBondContact O-N 2.87Å; H748-E751 PolarHBondContact O-N 3.43Å; H748-L752 WeakPolarHBondContact O-CG 3.4Å; H748-L752 PolarHBondContact O-N 2.82Å
749	L	48.3	Very low	50.1	Low	48 Å²	48	92.3 Å²	92.3	25%	0.251	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-38.5	-178.4	-173.3	65.8	0	0	0	112.1	L718 I732 V746 D747 L752 T753	L718-L749 HydrophobicContact CD1-CD1 3.52Å; L718-L749 HydrophobicContact CD2-CD1 3.84Å; L718-L749 HydrophobicContact CG-CD1 4.3Å; I732-L749 HydrophobicContact CD1-CD2 4.11Å; V746-L749 WeakPolarHBondContact O-CB 3.41Å; V746-L749 PolarHBondContact O-N 3.25Å; V746-L749 VanDerWaalsContact O-N 3.11Å; D747-L749 VanDerWaalsContact C-N 3.31Å; D747-L749 PolarHBondContact O-N 3.11Å; L749-L752 PolarHBondContact O-N 3.07Å; L749-T753 WeakPolarHBondContact O-CG2 3.31Å; L749-T753 PolarHBondContact O-N 2.81Å; L749-T753 PolarHBondContact O-OG1 3.09Å
750	G	47	Very low	49.5	Very low	50 Å²	50	88.8 Å²	88.8	52%	0.515	49%	0.49	S	S	.	.	H	α-helix	trans	-62.5	-47.5	176.7	0	0	0	0	0	112.2	H748 L752 T753 G754	H748-G750 VanDerWaalsContact C-N 3.31Å; H748-G750 PolarHBondContact O-N 2.87Å; G750-L752 PolarHBondContact O-N 3.11Å; G750-T753 PolarHBondContact O-OG1 3.36Å; G750-G754 PolarHBondContact O-N 3.3Å
751	E	54.8	Low	48.9	Very low	110 Å²	110	88.7 Å²	88.7	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-43.6	175.7	-73.3	-161.9	-175.4	0	0	112.7	H748 G754 K755	H748-E751 PolarHBondContact O-N 3.43Å; E751-G754 PolarHBondContact O-N 3.43Å; E751-K755 HydrophobicContact CB-CD 4.47Å; E751-K755 WeakPolarHBondContact O-CB 3.45Å; E751-K755 WeakPolarHBondContact O-CD 3.46Å; E751-K755 WeakPolarHBondContact O-CG 3.38Å; E751-K755 PolarHBondContact O-N 3.42Å; E751-K755 IonicContact OE2-NZ 3.46Å; E751-K755 PolarHBondContact OE2-NZ 3.03Å
752	L	49.2	Very low	48.1	Very low	47 Å²	47	89.5 Å²	89.5	25%	0.246	49%	0.492	C	S	.	.	H	α-helix	trans	-65	-43.5	-179.2	-74.1	166.9	0	0	0	111.4	V744 H748 L749 G750 K755 M756	V744-L752 HydrophobicContact CG1-CD1 3.76Å; V744-L752 HydrophobicContact CG2-CD1 4.26Å; H748-L752 WeakPolarHBondContact O-CG 3.4Å; H748-L752 PolarHBondContact O-N 2.82Å; L749-L752 PolarHBondContact O-N 3.07Å; G750-L752 PolarHBondContact O-N 3.11Å; L752-K755 PolarHBondContact O-N 2.93Å; L752-M756 WeakPolarHBondContact O-CG 3.34Å; L752-M756 PolarHBondContact O-N 2.74Å
753	T	42.7	Very low	47.4	Very low	57 Å²	57	91.5 Å²	91.5	35%	0.35	51%	0.507	S	S	.	.	H	α-helix	trans	-63.2	-42.6	173.9	51.3	0	0	0	0	112.3	L749 G750 M756 I757	L749-T753 WeakPolarHBondContact O-CG2 3.31Å; L749-T753 PolarHBondContact O-N 2.81Å; L749-T753 PolarHBondContact O-OG1 3.09Å; G750-T753 PolarHBondContact O-OG1 3.36Å; T753-M756 HydrophobicContact CG2-CE 4.25Å; T753-M756 PolarHBondContact O-N 3.48Å; T753-I757 WeakPolarHBondContact O-CD1 3.31Å; T753-I757 VanDerWaalsContact O-CG1 3.29Å; T753-I757 WeakPolarHBondContact O-CG1 3.17Å; T753-I757 PolarHBondContact O-N 2.94Å
754	G	49.1	Very low	46.4	Very low	36 Å²	36	93 Å²	93	37%	0.371	52%	0.519	S	S	.	.	H	α-helix	trans	-58.8	-47.7	173.5	0	0	0	0	0	112.9	G750 E751 M756 I757 S758	G750-G754 PolarHBondContact O-N 3.3Å; E751-G754 PolarHBondContact O-N 3.43Å; G754-M756 VanDerWaalsContact C-N 3.34Å; G754-M756 PolarHBondContact O-N 3.5Å; G754-I757 PolarHBondContact O-N 2.74Å; G754-S758 PolarHBondContact O-N 3.2Å; G754-S758 PolarHBondContact O-OG 3.15Å
755	K	53.3	Low	45.4	Very low	109 Å²	109	98 Å²	98	47%	0.474	55%	0.55	S	S	.	.	H	α-helix	trans	-64.7	-33.3	178.8	-72.4	162.6	-177.4	169.8	0	113	E751 L752 S758 K759	E751-K755 HydrophobicContact CB-CD 4.47Å; E751-K755 WeakPolarHBondContact O-CB 3.45Å; E751-K755 WeakPolarHBondContact O-CD 3.46Å; E751-K755 WeakPolarHBondContact O-CG 3.38Å; E751-K755 PolarHBondContact O-N 3.42Å; E751-K755 IonicContact OE2-NZ 3.46Å; E751-K755 PolarHBondContact OE2-NZ 3.03Å; L752-K755 PolarHBondContact O-N 2.93Å; K755-S758 WeakPolarHBondContact CA-OG 3.16Å; K755-S758 PolarHBondContact O-OG 3.04Å; K755-K759 WeakPolarHBondContact O-CB 3.45Å; K755-K759 WeakPolarHBondContact O-CG 3.43Å; K755-K759 PolarHBondContact O-N 3.18Å
756	M	40.1	Very low	44.5	Very low	73 Å²	73	100.6 Å²	100.6	36%	0.36	56%	0.559	S	S	.	*	H	α-helix	trans	-70.1	-45.3	172.5	-71.8	-170.5	-55.6	0	0	111.6	Y734 L752 T753 G754 S758 K759 A760	Y734-M756 HydrophobicContact CE2-SD 4.45Å; L752-M756 WeakPolarHBondContact O-CG 3.34Å; L752-M756 PolarHBondContact O-N 2.74Å; T753-M756 HydrophobicContact CG2-CE 4.25Å; T753-M756 PolarHBondContact O-N 3.48Å; G754-M756 VanDerWaalsContact C-N 3.34Å; G754-M756 PolarHBondContact O-N 3.5Å; M756-S758 PolarHBondContact O-N 2.84Å; M756-K759 PolarHBondContact O-N 3.04Å; M756-A760 PolarHBondContact O-N 3.23Å
757	I	45.2	Very low	43.6	Very low	116 Å²	116	102.4 Å²	102.4	60%	0.595	57%	0.57	S	S	*	*	H	α-helix	trans	-62.5	-45	178.8	-67.5	163.8	0	0	0	110.8	T753 G754 K759 A760 F761	T753-I757 WeakPolarHBondContact O-CD1 3.31Å; T753-I757 VanDerWaalsContact O-CG1 3.29Å; T753-I757 WeakPolarHBondContact O-CG1 3.17Å; T753-I757 PolarHBondContact O-N 2.94Å; G754-I757 PolarHBondContact O-N 2.74Å; I757-K759 VanDerWaalsContact C-N 3.27Å; I757-K759 PolarHBondContact O-N 3.04Å; I757-A760 PolarHBondContact O-N 3.29Å; I757-A760 VanDerWaalsContact O-N 3.15Å; I757-F761 PolarHBondContact O-N 3.2Å; I757-F761 VanDerWaalsContact O-N 3.09Å
758	S	50.4	Low	42.8	Very low	78 Å²	78	105 Å²	105	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-68.1	-22	178.8	64.1	0	0	0	0	114.2	G754 K755 M756	G754-S758 PolarHBondContact O-N 3.2Å; G754-S758 PolarHBondContact O-OG 3.15Å; K755-S758 WeakPolarHBondContact CA-OG 3.16Å; K755-S758 PolarHBondContact O-OG 3.04Å; M756-S758 PolarHBondContact O-N 2.84Å
759	K	48.5	Very low	41.8	Very low	174 Å²	174	106.9 Å²	106.9	76%	0.757	58%	0.579	S	S	*	*	H	α-helix	trans	-82.3	-29.8	171.5	-80.6	-177.5	175.2	-175.7	0	112.6	K755 M756 I757	K755-K759 WeakPolarHBondContact O-CB 3.45Å; K755-K759 WeakPolarHBondContact O-CG 3.43Å; K755-K759 PolarHBondContact O-N 3.18Å; M756-K759 PolarHBondContact O-N 3.04Å; I757-K759 VanDerWaalsContact C-N 3.27Å; I757-K759 PolarHBondContact O-N 3.04Å
760	A	37	Very low	41.3	Very low	66 Å²	66	113.7 Å²	113.7	55%	0.545	61%	0.609	S	S	.	*	H	α-helix	trans	-78.9	-29.8	179.6	0	0	0	0	0	113.3	M756 I757	M756-A760 PolarHBondContact O-N 3.23Å; I757-A760 PolarHBondContact O-N 3.29Å; I757-A760 VanDerWaalsContact O-N 3.15Å
761	F	34	Very low	41.1	Very low	170 Å²	170	118.1 Å²	118.1	75%	0.746	63%	0.626	S	S	*	*			trans	-135.4	91.9	-178.8	-71	-84.9	0	0	0	112.1	I757	I757-F761 PolarHBondContact O-N 3.2Å; I757-F761 VanDerWaalsContact O-N 3.09Å
762	P	36.3	Very low	40.2	Very low	100 Å²	100	117.1 Å²	117.1	65%	0.649	64%	0.636	S	S	*	*			trans	-69.9	133.4	166.5	29.2	-33.1	0	0	0	110.3	V764	P762-V764 PolarHBondContact O-N 3.1Å
763	P	38.6	Very low	39.4	Very low	119 Å²	119	124.2 Å²	124.2	77%	0.773	67%	0.668	S	S	*	*			trans	-75.3	116.2	-177.8	28.9	-33.7	0	0	0	111.6	V765	P763-V765 PolarHBondContact O-N 3.32Å; P763-V765 VanDerWaalsContact O-N 3.16Å
764	V	32.4	Very low	39.2	Very low	129 Å²	129	126.1 Å²	126.1	78%	0.782	69%	0.69	S	S	*	*			trans	-73.4	104.9	173.3	178.5	0	0	0	0	109.6	P762 K766	P762-V764 PolarHBondContact O-N 3.1Å; V764-K766 PolarHBondContact O-N 2.65Å
765	V	34.1	Very low	38.6	Very low	123 Å²	123	130.6 Å²	130.6	75%	0.745	71%	0.71	S	S	*	*			trans	-77	120	173.4	178.4	0	0	0	0	109.6	P763	P763-V765 PolarHBondContact O-N 3.32Å; P763-V765 VanDerWaalsContact O-N 3.16Å
766	K	36.2	Very low	37.6	Very low	189 Å²	189	129.3 Å²	129.3	82%	0.822	72%	0.719	S	S	*	*			trans	-124.6	110.5	157.2	-73.4	-169.3	176.6	-175.2	0	109.6	V764	V764-K766 PolarHBondContact O-N 2.65Å
767	T	33.3	Very low	37.5	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	75%	0.746	S	S	*	*			trans	-60.2	156.3	153.1	53	0	0	0	0	108.7
768	R	33.3	Very low	37.1	Very low	193 Å²	193	134.3 Å²	134.3	73%	0.728	76%	0.756	S	S	*	*			cis	-162	168.8	28.1	-152.3	173.1	164	-168.1	-24.7	110.3
769	E	34.6	Very low	36.5	Very low	138 Å²	138	133.9 Å²	133.9	65%	0.645	77%	0.765	S	S	*	*			trans	20.4	104.6	151.7	-71.9	149.8	-157.6	0	0	118.6
770	E	38	Very low	35.9	Very low	191 Å²	191	133.8 Å²	133.8	89%	0.893	77%	0.767	S	S	*	*			trans	-176.7	167.6	130.3	-105.3	171.9	-161.5	0	0	112.7
771	V	41.2	Very low	35.9	Very low	143 Å²	143	137.6 Å²	137.6	87%	0.867	78%	0.777	S	S	*	*			trans	60	94.2	179.2	-166	0	0	0	0	116.2
772	A	35.9	Very low	35.9	Very low	88 Å²	88	137.6 Å²	137.6	73%	0.727	78%	0.779	S	S	*	*			trans	-96.8	-179.5	165.3	0	0	0	0	0	112
773	E	32.9	Very low	35.8	Very low	196 Å²	196	136.9 Å²	136.9	92%	0.916	78%	0.782	S	S	*	*			trans	64.5	85.6	163.7	-59.9	-167.5	114.9	0	0	118.6
774	A	38.8	Very low	35.8	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	78%	0.781	S	S	*	*			trans	-136.7	115.9	143.9	0	0	0	0	0	110.2
775	T	35.6	Very low	36	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	79%	0.785	S	S	*	*			trans	-28.5	130.6	173.2	47.6	0	0	0	0	115.6
776	A	32.2	Very low	36.2	Very low	82 Å²	82	138.6 Å²	138.6	68%	0.678	79%	0.789	S	S	*	*				70.8	141.5	50.1	0	0	0	0	0	114.7
777	Q	39.2	Very low	36.3	Very low	196 Å²	196	138.8 Å²	138.8	92%	0.916	79%	0.79	S	S	*	*			trans	77.3	133.2	-165.4	-49.7	166.2	39.3	0	0	113
778	A	36.5	Very low	36.3	Very low	98 Å²	98	137.3 Å²	137.3	81%	0.81	79%	0.79	S	S	*	*			cis	-143.3	163.9	-13.7	0	0	0	0	0	107.1
779	G	36.9	Very low	36.3	Very low	70 Å²	70	134.2 Å²	134.2	72%	0.722	79%	0.792	S	S	*	*				76.6	129.1	56.3	0	0	0	0	0	110.9
780	E	37.2	Very low	36.3	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	81%	0.806	S	S	*	*			cis	-169.3	150.3	9	-108.7	-178.9	148.8	0	0	110.7
781	L	37.7	Very low	36	Very low	146 Å²	146	134.4 Å²	134.4	76%	0.764	80%	0.802	S	S	*	*			trans	59.1	165.9	147.6	-54.3	167.9	0	0	0	119.1
782	E	34.1	Very low	35.7	Very low	170 Å²	170	134.7 Å²	134.7	79%	0.794	81%	0.805	S	S	*	*			cis	-157.9	-179.7	-31.1	-110	-62.5	153.4	0	0	108.8
783	A	34	Very low	35.4	Very low	86 Å²	86	136.8 Å²	136.8	71%	0.711	81%	0.809	S	S	*	*			trans	-96.8	162.7	-176.6	0	0	0	0	0	115.8
784	A	37.4	Very low	35.7	Very low	90 Å²	90	135.7 Å²	135.7	74%	0.744	81%	0.807	S	S	*	*			trans	164.7	121.6	132.8	0	0	0	0	0	115.8
785	D	37.5	Very low	35.5	Very low	162 Å²	162	139 Å²	139	87%	0.866	81%	0.806	S	S	*	*			trans	55	167.7	133	-85.1	-56.1	0	0	0	127.5
786	D	38.2	Very low	35.5	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	81%	0.807	S	S	*	*			trans	96.9	157.6	158.1	-88.3	-34.7	0	0	0	123.4
787	K	37.1	Very low	35.8	Very low	193 Å²	193	141.6 Å²	141.6	84%	0.839	81%	0.806	S	S	*	*			trans	-162.8	118.4	-133.5	168.5	-161.6	171.4	-170.1	0	115.5
788	A	35	Very low	35.7	Very low	89 Å²	89	141.9 Å²	141.9	74%	0.736	80%	0.804	S	S	*	*			trans	-170.3	145.2	153.3	0	0	0	0	0	108.2
789	T	32.2	Very low	35.7	Very low	128 Å²	128	140.8 Å²	140.8	79%	0.785	80%	0.795	S	S	*	*			cis	72.1	94.3	29.5	71.1	0	0	0	0	117
790	E	35.1	Very low	35.7	Very low	198 Å²	198	146.4 Å²	146.4	93%	0.925	80%	0.802	S	S	*	*			trans	-155	162.1	140.9	-130.2	169.7	-150.1	0	0	111.9
791	T	32.2	Very low	35.6	Very low	134 Å²	134	145.1 Å²	145.1	82%	0.822	80%	0.796	S	S	*	*			trans	-144.1	131.6	-170.6	52.1	0	0	0	0	112.3
792	T	34.5	Very low	35.7	Very low	150 Å²	150	141.3 Å²	141.3	92%	0.92	78%	0.782	S	S	*	*			trans	-144.1	128.7	167.7	39	0	0	0	0	112.4
793	T	29.8	Very low	35.9	Very low	132 Å²	132	141 Å²	141	81%	0.81	78%	0.778	S	S	*	*			trans	-100.3	153.8	165.5	48.8	0	0	0	0	110.3
794	I	37.8	Very low	36	Very low	172 Å²	172	142 Å²	142	88%	0.882	78%	0.779	S	S	*	*			trans	-167.7	166.2	149.6	-104.5	151.9	0	0	0	109.8
795	E	35.3	Very low	36	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	79%	0.785	S	S	*	*			trans	-111.5	169.1	-154	-61	163.1	123	0	0	115.4
796	E	36	Very low	35.8	Very low	173 Å²	173	141.1 Å²	141.1	81%	0.808	78%	0.781	S	S	*	*			trans	67.3	113.1	139.8	-87	-171.2	-176.2	0	0	124.6
797	S	38.4	Very low	35.7	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	79%	0.785	S	S	*	*				114.7	150.5	108.6	78.4	0	0	0	0	121.6
798	K	36.2	Very low	35.5	Very low	202 Å²	202	137.1 Å²	137.1	88%	0.878	78%	0.783	S	S	*	*			trans	73.1	150.2	158.5	-69.9	177	-178.4	173.1	0	119.2
799	A	36.7	Very low	35.7	Very low	75 Å²	75	139.7 Å²	139.7	62%	0.62	79%	0.789	S	S	*	*			cis	-167.9	-176.5	-16.3	0	0	0	0	0	111.6
800	E	37	Very low	35.7	Very low	187 Å²	187	138.2 Å²	138.2	87%	0.874	79%	0.789	S	S	*	*			trans	71.1	154.6	162.8	-65	160.1	-152.1	0	0	116.7
801	E	36.6	Very low	35.8	Very low	144 Å²	144	137.3 Å²	137.3	67%	0.673	79%	0.785	S	S	*	*			cis	-160.8	152.3	-5.8	-126.8	-98.9	151	0	0	106.2	K803	E801-K803 IonicContact OE1-NZ 2.66Å; E801-K803 PolarHBondContact OE1-NZ 2.97Å; E801-K803 IonicContact OE2-NZ 2.74Å; E801-K803 PolarHBondContact OE2-NZ 2.59Å
802	S	39.5	Very low	35.9	Very low	67 Å²	67	136.4 Å²	136.4	47%	0.469	78%	0.784	S	S	.	*			cis	-171.5	-165.5	-28.2	70.7	0	0	0	0	109.7
803	K	38.2	Very low	35.8	Very low	164 Å²	164	132.6 Å²	132.6	71%	0.713	78%	0.775	S	S	*	*			trans	70.3	151.4	160.4	-68.1	145.3	-166.3	144	0	120.1	E801	E801-K803 IonicContact OE1-NZ 2.66Å; E801-K803 PolarHBondContact OE1-NZ 2.97Å; E801-K803 IonicContact OE2-NZ 2.74Å; E801-K803 PolarHBondContact OE2-NZ 2.59Å
804	S	35.1	Very low	35.9	Very low	106 Å²	106	136 Å²	136	74%	0.741	78%	0.782	S	S	*	*			cis	168.5	122.7	-49.1	49.7	0	0	0	0	109.5
805	A	37.4	Very low	35.7	Very low	105 Å²	105	133.3 Å²	133.3	87%	0.868	78%	0.775	S	S	*	*			trans	-167.2	133.4	153.9	0	0	0	0	0	110.7
806	T	33.5	Very low	35.4	Very low	128 Å²	128	129.4 Å²	129.4	79%	0.785	77%	0.772	S	S	*	*			trans	-120.3	152.1	163.7	49.2	0	0	0	0	107.8
807	D	37.1	Very low	35.4	Very low	170 Å²	170	130 Å²	130	91%	0.909	78%	0.775	S	S	*	*			trans	-165.3	163.5	137.4	-101	-26.9	0	0	0	111.2
808	A	33	Very low	35	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	78%	0.78	S	S	*	*			trans	-133.1	139.4	-175.9	0	0	0	0	0	111.5
809	V	37.7	Very low	34.9	Very low	143 Å²	143	129 Å²	129	87%	0.867	78%	0.782	S	S	*	*			trans	-137	144.7	169.3	-179.1	0	0	0	0	108.2
810	A	33.8	Very low	34.8	Very low	96 Å²	96	128.2 Å²	128.2	79%	0.793	78%	0.781	S	S	*	*			trans	-135.9	119.6	178	0	0	0	0	0	111
811	E	36.5	Very low	34.7	Very low	180 Å²	180	128.5 Å²	128.5	84%	0.841	78%	0.782	S	S	*	*			trans	-149.3	125.9	163	-88.6	170.2	168.9	0	0	104.6
812	S	33.5	Very low	34.3	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	79%	0.787	S	S	*	*			cis	86.7	94.2	30.5	86.2	0	0	0	0	115.4
813	G	33.8	Very low	34.1	Very low	71 Å²	71	129.7 Å²	129.7	73%	0.732	80%	0.796	S	S	*	*			trans	113.2	105.3	142.1	0	0	0	0	0	118.4
814	E	31.2	Very low	33.9	Very low	202 Å²	202	132.6 Å²	132.6	94%	0.944	80%	0.803	S	S	*	*			trans	-143.7	114.3	137.4	-87.7	-149	117.3	0	0	110.2
815	P	33.9	Very low	33.9	Very low	116 Å²	116	131 Å²	131	75%	0.753	80%	0.803	S	S	*	*			trans	-134.9	142.3	160.4	36.5	-22.2	0	0	0	114.2
816	A	28.5	Very low	33.8	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	80%	0.801	S	S	*	*			trans	62.5	117.4	154.3	0	0	0	0	0	121
817	Q	36	Very low	33.7	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	80%	0.799	S	S	*	*			trans	-159.6	115.2	140.4	-104.6	153.6	77.3	0	0	106.9
818	T	29.6	Very low	33.6	Very low	120 Å²	120	129.7 Å²	129.7	74%	0.736	79%	0.794	S	S	*	*				82	71	50.7	69.9	0	0	0	0	116.3
819	V	35.1	Very low	33.6	Very low	152 Å²	152	129.9 Å²	129.9	92%	0.921	79%	0.79	S	S	*	*			trans	-148.7	142.6	147.2	-171.3	0	0	0	0	107
820	G	34.2	Very low	33.3	Very low	58 Å²	58	130.9 Å²	130.9	60%	0.598	79%	0.79	S	S	*	*			cis	151	121.3	-10.7	0	0	0	0	0	112.7
821	Q	34.9	Very low	33.2	Very low	193 Å²	193	134.4 Å²	134.4	90%	0.902	79%	0.79	S	S	*	*			trans	68.7	124.6	168.2	-63.2	165.4	-12.8	0	0	115.4
822	A	28.9	Very low	33.2	Very low	94 Å²	94	133 Å²	133	78%	0.777	79%	0.787	S	S	*	*				74.7	141.6	89.3	0	0	0	0	0	113
823	E	35.3	Very low	33.3	Very low	142 Å²	142	132.4 Å²	132.4	66%	0.664	78%	0.779	S	S	*	*			cis	-142.4	155.6	26.9	-56.9	-166.3	89.1	0	0	115.2
824	R	33.5	Very low	33.4	Very low	225 Å²	225	136.4 Å²	136.4	85%	0.849	78%	0.783	S	S	*	*			trans	38.9	140	130.2	-58.7	169.6	-179.8	154	-3.7	123.1
825	G	35.3	Very low	33.8	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	78%	0.776	S	S	*	*			trans	106.8	137.4	152	0	0	0	0	0	115.3
826	D	34.3	Very low	33.9	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	79%	0.786	S	S	*	*			cis	-153.3	166.8	-20.5	-144.3	-36.3	0	0	0	111.5
827	S	31.7	Very low	34.1	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	79%	0.793	S	S	*	*			trans	-43.4	139	176.9	-45.2	0	0	0	0	116.3
828	S	35.8	Very low	34.1	Very low	117 Å²	117	136.3 Å²	136.3	82%	0.818	79%	0.789	S	S	*	*				-173.9	125.7	110.6	-168.4	0	0	0	0	112.4
829	S	31.3	Very low	34.4	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	79%	0.792	S	S	*	*			trans	-90.8	151.7	170.5	53	0	0	0	0	111.6
830	N	32.6	Very low	34.3	Very low	163 Å²	163	135.5 Å²	135.5	87%	0.872	79%	0.787	S	S	*	*			trans	-154.4	115.2	142.4	-104.3	-29.3	0	0	0	111.1
831	E	31.9	Very low	34.5	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.794	80%	0.799	S	S	*	*			trans	-84.7	138.7	165.3	-60.7	-178.8	108.9	0	0	109.2
832	I	35.9	Very low	34.4	Very low	152 Å²	152	137.8 Å²	137.8	78%	0.779	80%	0.799	S	S	*	*			trans	-130.7	113.6	150.4	-60.2	-177.1	0	0	0	107
833	V	34.8	Very low	34.6	Very low	101 Å²	101	142.3 Å²	142.3	61%	0.612	81%	0.807	S	S	*	*			trans	-109.7	110.5	175.8	174.6	0	0	0	0	107.8	K835	V833-K835 HydrophobicContact CG1-CG 4.26Å
834	D	37.5	Very low	34.6	Very low	155 Å²	155	144.6 Å²	144.6	83%	0.829	82%	0.818	S	S	*	*			trans	-108.1	130.7	165.3	-87.3	-54.4	0	0	0	110.9
835	K	38.5	Very low	34.5	Very low	184 Å²	184	141.5 Å²	141.5	80%	0.8	82%	0.815	S	S	*	*			trans	-117.8	119.9	176.5	-65.4	171.1	-176.4	167	0	108.1	V833	V833-K835 HydrophobicContact CG1-CG 4.26Å
836	E	36.6	Very low	34.4	Very low	204 Å²	204	147.4 Å²	147.4	95%	0.953	82%	0.823	S	S	*	*			trans	-121.3	139.1	154.9	-72.3	-157.2	116.4	0	0	110
837	A	32.2	Very low	34.2	Very low	106 Å²	106	146.2 Å²	146.2	88%	0.876	82%	0.815	S	S	*	*			trans	-136.4	127.6	-176.9	0	0	0	0	0	109.4
838	A	35.9	Very low	34.3	Very low	95 Å²	95	147.2 Å²	147.2	79%	0.785	82%	0.816	S	S	*	*			trans	-133.1	99.3	177.5	0	0	0	0	0	110.4
839	T	36.9	Very low	34.2	Very low	130 Å²	130	150.3 Å²	150.3	80%	0.798	82%	0.818	S	S	*	*			trans	20.5	119.6	148.1	53.8	0	0	0	0	119.5
840	P	32.1	Very low	34.4	Very low	126 Å²	126	154.4 Å²	154.4	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.2	137.3	158.2	33.4	-31.2	0	0	0	110.6
841	A	38.1	Very low	34.4	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-87.1	133.1	168.3	0	0	0	0	0	110
842	Q	33.1	Very low	34.3	Very low	196 Å²	196	147.1 Å²	147.1	92%	0.916	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85.4	146	170.6	-64.5	170.7	-92.4	0	0	109.6
843	M	34.1	Very low	34.3	Very low	189 Å²	189	148.9 Å²	148.9	93%	0.931	83%	0.83	S	S	*	*			trans	-141.6	139	162.5	-172.1	169.8	168.6	0	0	107.3
844	E	34.6	Very low	34.4	Very low	191 Å²	191	153 Å²	153	89%	0.893	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-84.8	157.6	-159.1	-67.1	163.4	127.1	0	0	113
845	M	30.7	Very low	34	Very low	160 Å²	160	159.2 Å²	159.2	79%	0.788	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-96.4	121	171.4	-58.7	-177.4	-56	0	0	108.8
846	E	34	Very low	33.8	Very low	197 Å²	197	158 Å²	158	92%	0.921	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-79.1	134.9	153.3	-73.3	-170.5	128.9	0	0	108.9
847	I	29.5	Very low	33.6	Very low	127 Å²	127	155.6 Å²	155.6	65%	0.651	86%	0.864	S	S	*	*			trans	-109.4	123.8	177.2	-63.8	172.5	0	0	0	106.9	E849	I847-E849 HydrophobicContact CG2-CG 3.82Å
848	V	35.3	Very low	33.7	Very low	127 Å²	127	158.3 Å²	158.3	77%	0.77	86%	0.863	S	S	*	*			trans	-124.3	111.9	168.9	-179	0	0	0	0	107.4
849	E	31.9	Very low	33.6	Very low	182 Å²	182	162.1 Å²	162.1	85%	0.85	87%	0.868	S	S	*	*			trans	-101.5	84	-179.1	-69.9	-172.6	138.9	0	0	111.1	I847	I847-E849 HydrophobicContact CG2-CG 3.82Å
850	E	36.8	Very low	33.4	Very low	186 Å²	186	164.1 Å²	164.1	87%	0.869	87%	0.872	S	S	*	*			trans	-139.7	139.2	162.3	-65.6	-172.5	163.8	0	0	108.2
851	G	33	Very low	33.4	Very low	79 Å²	79	166.6 Å²	166.6	81%	0.814	88%	0.876	S	S	*	*			cis	-169.1	141.5	-10.5	0	0	0	0	0	107.2
852	A	28.7	Very low	33.1	Very low	101 Å²	101	171.2 Å²	171.2	84%	0.835	88%	0.878	S	S	*	*			trans	-100	107.2	-172.6	0	0	0	0	0	111.8
853	E	36.2	Very low	33.1	Very low	189 Å²	189	169.3 Å²	169.3	88%	0.883	88%	0.875	S	S	*	*			trans	-164.6	109.6	163	-116.5	163.1	-135	0	0	112.5
854	M	35.7	Very low	33	Very low	186 Å²	186	167.7 Å²	167.7	92%	0.916	87%	0.871	S	S	*	*				176.6	158.7	121.7	-93.7	-165.3	-69.3	0	0	111.2
855	F	30.1	Very low	32.9	Very low	287 Å²	287	165.5 Å²	165.5	100%	1.259	87%	0.869	S	S	*	*			trans	-64.5	0	-168.1	-84.3	-112	0	0	0	115.2

Retrieved 855 of 855 residues in 629 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).