A0A096NK79_PAPAN Loading...

Furin

AlphaFold DB (A0A0D9RWU9), UniProt , Accession A0A096NK79, Species PAPAN (Papio anubis, Olive baboon), Gene FURIN, Length 794 aa.

						>A0A096NK79_PAPAN|A0A096NK79|FURIN
MELRSWLLWVVAATGTLVLLAADAQGQKVFTNTWAVRIPGGPAVANSVARKHGFLNLGQIFGDYYHFWHRGVTKRSLSPHRPRHSRLQREPQVQWLEQQVAKRRTKRDLYQEPTDPKFPQQWYLSGVTQRDLNVKEAWAQGYTGHGIVVSILDDGIEKNHPDLAGNYDPGASFDVNDQDPDPQPRYTQMNDNRHGTRCAGEVAAVANNGVCGVGVAYNARIGGVRMLDGEVTDAVEARSLGLNPNHIHIYSASWGPEDDGKTVDGPARLAEEAFFRGVSQGRGGLGSIFVWASGNGGREHDSCNCDGYTNSIYTLSISSATQFGNVPWYSEACSSTLATTYSSGNQNEKQIVTTDLRQKCTESHTGTSASAPLAAGIIALTLEANKNLTWRDMQHLVVQTSKPAHLNANDWATNGVGRKVSHSYGYGLLDAGAMVALAQNWTTVGPQRKCIIDILTEPKDIGKRLEVRKTVTACLGEPNHITRLEHAQARLTLSYNRRGDLAIHLVSPMGTRSTLLAARPHDYSADGFNDWAFMTTHSWDEDPSGEWVLEIENTSEANNYGTLTKFTLVLYGTAPEGLPIPPESSGCKTLTSSQACVVCEEGFSLHQKSCVQHCPPGFAPQVLDTHYSTENDVETIRASVCAPCHASCATCQGPAPTDCLSCPSHASLDPVEQTCSRQSQSSRESPPQQQPPRLPPEMEAGPRLRAGLLPSHLPEVVAGLSCAFIVLVFVTVFLVLQLRSGFSFRGVKVYTMDRGLISYKGLPPEAWQEECPSDSEEDEGRGERTAFIKDQSAL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.2	Very low	53	Low	239 Å²	239	147.1 Å²	147.1	100%	1.177	70%	0.699	S	S	*	*				0	-7.7	0	-115.2	162.4	81.9	0	0	113.9
2	E	49.8	Very low	53.6	Low	174 Å²	174	139.3 Å²	139.3	81%	0.813	68%	0.677	S	S	*	*			trans	-89.6	-19.6	-172.7	-65.2	-169.6	151	0	0	116	R4	E2-R4 VanDerWaalsContact C-N 3.35Å; E2-R4 PolarHBondContact O-N 3.46Å
3	L	45.1	Very low	53.7	Low	157 Å²	157	132.4 Å²	132.4	82%	0.822	66%	0.657	S	S	*	*	H	α-helix	trans	-71.6	-24.2	-175.8	-133.5	81.7	0	0	0	114.3
4	R	52.2	Low	53.6	Low	215 Å²	215	128.4 Å²	128.4	81%	0.811	64%	0.643	S	S	*	*	H	α-helix	trans	-79.1	-26.2	-178.5	-82.9	-175.5	169.8	-174.2	-3.2	113.7	E2 L8	E2-R4 VanDerWaalsContact C-N 3.35Å; E2-R4 PolarHBondContact O-N 3.46Å; R4-L8 WeakPolarHBondContact O-CD1 3.15Å; R4-L8 PolarHBondContact O-N 3.33Å
5	S	47.5	Very low	53.4	Low	67 Å²	67	121.9 Å²	121.9	47%	0.469	62%	0.622	S	S	.	*	H	α-helix	trans	-73	-39	-178.8	-163.7	0	0	0	0	111.3	L8 W9	S5-L8 PolarHBondContact O-N 3.3Å; S5-W9 VanDerWaalsContact O-CD1 3.24Å; S5-W9 PolarHBondContact O-N 3Å; S5-W9 VanDerWaalsContact O-N 3.11Å
6	W	52.9	Low	53.2	Low	187 Å²	187	119.1 Å²	119.1	71%	0.708	61%	0.613	S	S	*	*	H	α-helix	trans	-68.5	-38.3	-178.3	-162.1	80.2	0	0	0	113.1	L8 W9 V10	W6-L8 VanDerWaalsContact C-N 3.35Å; W6-L8 PolarHBondContact O-N 2.68Å; W6-W9 PolarHBondContact O-N 3.36Å; W6-V10 HydrophobicContact CD2-CG2 4.04Å; W6-V10 HydrophobicContact CE3-CG2 3.95Å; W6-V10 HydrophobicContact CH2-CG2 3.99Å; W6-V10 HydrophobicContact CZ2-CG2 4.07Å; W6-V10 HydrophobicContact CZ3-CG2 3.93Å; W6-V10 WeakPolarHBondContact O-CG2 3.49Å; W6-V10 PolarHBondContact O-N 3.27Å
7	L	52.7	Low	52.7	Low	111 Å²	111	119.4 Å²	119.4	58%	0.581	61%	0.614	S	S	*	*	H	α-helix	trans	-64	-39.1	175.1	-120.4	87.4	0	0	0	112.3	V10 V11	L7-V10 PolarHBondContact O-N 3.31Å; L7-V11 WeakPolarHBondContact O-CB 3.45Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.95Å
8	L	56.2	Low	52.5	Low	124 Å²	124	118.3 Å²	118.3	65%	0.649	61%	0.614	S	S	*	*	H	α-helix	trans	-66.3	-38	176.5	-84	158.7	0	0	0	111.9	R4 S5 W6 A12	R4-L8 WeakPolarHBondContact O-CD1 3.15Å; R4-L8 PolarHBondContact O-N 3.33Å; S5-L8 PolarHBondContact O-N 3.3Å; W6-L8 VanDerWaalsContact C-N 3.35Å; W6-L8 PolarHBondContact O-N 2.68Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 3.45Å
9	W	56.2	Low	52.2	Low	189 Å²	189	118.8 Å²	118.8	72%	0.716	62%	0.617	S	S	*	*	H	α-helix	trans	-69	-37.5	174.6	-86.3	98.7	0	0	0	113	S5 W6 A13	S5-W9 VanDerWaalsContact O-CD1 3.24Å; S5-W9 PolarHBondContact O-N 3Å; S5-W9 VanDerWaalsContact O-N 3.11Å; W6-W9 PolarHBondContact O-N 3.36Å; W9-A13 WeakPolarHBondContact O-CB 3.18Å; W9-A13 PolarHBondContact O-N 2.97Å
10	V	62.1	Low	51.8	Low	59 Å²	59	118.8 Å²	118.8	36%	0.358	62%	0.617	S	S	.	*	H	α-helix	trans	-70.7	-43.7	177	173.3	0	0	0	0	111	W6 L7 A13 T14	W6-V10 HydrophobicContact CD2-CG2 4.04Å; W6-V10 HydrophobicContact CE3-CG2 3.95Å; W6-V10 HydrophobicContact CH2-CG2 3.99Å; W6-V10 HydrophobicContact CZ2-CG2 4.07Å; W6-V10 HydrophobicContact CZ3-CG2 3.93Å; W6-V10 WeakPolarHBondContact O-CG2 3.49Å; W6-V10 PolarHBondContact O-N 3.27Å; L7-V10 PolarHBondContact O-N 3.31Å; V10-A13 PolarHBondContact O-N 2.81Å; V10-T14 HydrophobicContact CG1-CG2 4.38Å; V10-T14 WeakPolarHBondContact O-CB 3.47Å; V10-T14 WeakPolarHBondContact O-CG2 3Å; V10-T14 PolarHBondContact O-N 2.73Å; V10-T14 PolarHBondContact O-OG1 3.06Å
11	V	62.9	Low	51.4	Low	96 Å²	96	116.1 Å²	116.1	58%	0.582	61%	0.612	S	S	*	*	H	α-helix	trans	-67.4	-37.4	176.5	173.7	0	0	0	0	111.6	L7 T14 G15	L7-V11 WeakPolarHBondContact O-CB 3.45Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.95Å; V11-T14 WeakPolarHBondContact CA-OG1 3.44Å; V11-T14 PolarHBondContact O-OG1 3.21Å; V11-G15 PolarHBondContact O-N 3.33Å
12	A	60.6	Low	51.3	Low	53 Å²	53	107.8 Å²	107.8	44%	0.438	58%	0.582	S	S	.	*	H	α-helix	trans	-66.5	-44.3	172.5	0	0	0	0	0	111.1	L8 T16	L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 3.45Å; A12-T16 WeakPolarHBondContact O-CB 3.37Å; A12-T16 PolarHBondContact O-N 2.85Å; A12-T16 PolarHBondContact O-OG1 3.1Å
13	A	55.2	Low	51	Low	50 Å²	50	104.9 Å²	104.9	41%	0.413	57%	0.572	S	S	.	*	H	α-helix	trans	-66.3	-41.2	179.3	0	0	0	0	0	112.4	W9 V10 T16 L17	W9-A13 WeakPolarHBondContact O-CB 3.18Å; W9-A13 PolarHBondContact O-N 2.97Å; V10-A13 PolarHBondContact O-N 2.81Å; A13-T16 PolarHBondContact O-N 2.93Å; A13-L17 WeakPolarHBondContact O-CB 3.29Å; A13-L17 PolarHBondContact O-N 2.96Å
14	T	52.1	Low	51	Low	76 Å²	76	100.5 Å²	100.5	47%	0.466	56%	0.558	S	S	.	*	H	α-helix	trans	-72.1	-39.9	176.4	54.5	0	0	0	0	111.8	V10 V11 T16 L17 V18	V10-T14 HydrophobicContact CG1-CG2 4.38Å; V10-T14 WeakPolarHBondContact O-CB 3.47Å; V10-T14 WeakPolarHBondContact O-CG2 3Å; V10-T14 PolarHBondContact O-N 2.73Å; V10-T14 PolarHBondContact O-OG1 3.06Å; V11-T14 WeakPolarHBondContact CA-OG1 3.44Å; V11-T14 PolarHBondContact O-OG1 3.21Å; T14-T16 VanDerWaalsContact C-N 3.32Å; T14-T16 PolarHBondContact O-N 3.23Å; T14-L17 PolarHBondContact O-N 2.83Å; T14-V18 WeakPolarHBondContact O-CB 2.99Å; T14-V18 VanDerWaalsContact O-CG2 3.26Å; T14-V18 WeakPolarHBondContact O-CG2 3.34Å; T14-V18 PolarHBondContact O-N 3.11Å
15	G	50.8	Low	50.8	Low	31 Å²	31	98.9 Å²	98.9	32%	0.32	56%	0.56	S	S	.	*	H	α-helix	trans	-61.1	-40	172.4	0	0	0	0	0	112.4	V11 L19	V11-G15 PolarHBondContact O-N 3.33Å; G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 WeakPolarHBondContact O-CD1 3.32Å; G15-L19 WeakPolarHBondContact O-CG 3.03Å; G15-L19 PolarHBondContact O-N 3.42Å
16	T	50.1	Low	51.1	Low	78 Å²	78	99.1 Å²	99.1	48%	0.479	57%	0.572	S	S	.	*	H	α-helix	trans	-70.4	-37.6	176.1	-44.3	0	0	0	0	111.4	A12 A13 T14 L20	A12-T16 WeakPolarHBondContact O-CB 3.37Å; A12-T16 PolarHBondContact O-N 2.85Å; A12-T16 PolarHBondContact O-OG1 3.1Å; A13-T16 PolarHBondContact O-N 2.93Å; T14-T16 VanDerWaalsContact C-N 3.32Å; T14-T16 PolarHBondContact O-N 3.23Å; T16-L20 HydrophobicContact CG2-CD1 4.13Å; T16-L20 HydrophobicContact CG2-CG 4.49Å; T16-L20 VanDerWaalsContact O-CB 3.28Å; T16-L20 WeakPolarHBondContact O-CB 2.94Å; T16-L20 WeakPolarHBondContact O-CD1 2.9Å; T16-L20 WeakPolarHBondContact O-CG 3.45Å; T16-L20 PolarHBondContact O-N 2.81Å
17	L	43.9	Very low	51.9	Low	123 Å²	123	94.7 Å²	94.7	64%	0.644	56%	0.559	S	S	*	*	H	α-helix	trans	-68.1	-37.2	175.5	-114.3	127.4	0	0	0	112.8	A13 T14 A21	A13-L17 WeakPolarHBondContact O-CB 3.29Å; A13-L17 PolarHBondContact O-N 2.96Å; T14-L17 PolarHBondContact O-N 2.83Å; L17-A21 VanDerWaalsContact O-CB 3.26Å; L17-A21 WeakPolarHBondContact O-CB 3.35Å; L17-A21 PolarHBondContact O-N 2.91Å
18	V	49.2	Very low	53.3	Low	100 Å²	100	96.2 Å²	96.2	61%	0.606	56%	0.562	S	S	*	*	H	α-helix	trans	-71.1	-39.8	176	171.7	0	0	0	0	110.9	T14 A21 A22	T14-V18 WeakPolarHBondContact O-CB 2.99Å; T14-V18 VanDerWaalsContact O-CG2 3.26Å; T14-V18 WeakPolarHBondContact O-CG2 3.34Å; T14-V18 PolarHBondContact O-N 3.11Å; V18-A21 PolarHBondContact O-N 2.03Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.4Å
19	L	46.8	Very low	54.9	Low	128 Å²	128	92.4 Å²	92.4	67%	0.67	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-40.3	172.4	-79.1	161.1	0	0	0	112.1	G15 A21 A22 D23	G15-L19 WeakPolarHBondContact O-CB 3.49Å; G15-L19 WeakPolarHBondContact O-CD1 3.32Å; G15-L19 WeakPolarHBondContact O-CG 3.03Å; G15-L19 PolarHBondContact O-N 3.42Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A22 PolarHBondContact O-N 3.24Å; L19-D23 PolarHBondContact O-N 3.26Å
20	L	45.6	Very low	56.6	Low	119 Å²	119	84.9 Å²	84.9	62%	0.623	52%	0.515	S	S	*	.	H	α-helix	trans	-69.1	-29.7	174.7	-72.8	169	0	0	0	112.9	T16	T16-L20 HydrophobicContact CG2-CD1 4.13Å; T16-L20 HydrophobicContact CG2-CG 4.49Å; T16-L20 VanDerWaalsContact O-CB 3.28Å; T16-L20 WeakPolarHBondContact O-CB 2.94Å; T16-L20 WeakPolarHBondContact O-CD1 2.9Å; T16-L20 WeakPolarHBondContact O-CG 3.45Å; T16-L20 PolarHBondContact O-N 2.81Å
21	A	43.1	Very low	58.1	Low	62 Å²	62	83.2 Å²	83.2	51%	0.512	51%	0.505	S	S	.	.	H	α-helix	trans	-76.8	-37.2	175.6	0	0	0	0	0	112.5	L17 V18 L19 D23 A24	L17-A21 VanDerWaalsContact O-CB 3.26Å; L17-A21 WeakPolarHBondContact O-CB 3.35Å; L17-A21 PolarHBondContact O-N 2.91Å; V18-A21 PolarHBondContact O-N 2.03Å; L19-A21 VanDerWaalsContact C-N 3.34Å; A21-D23 VanDerWaalsContact C-N 3.33Å; A21-A24 PolarHBondContact O-N 3.27Å
22	A	43.2	Very low	59.6	Low	65 Å²	65	79.3 Å²	79.3	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-66.5	-33.3	175.8	0	0	0	0	0	112.4	V18 L19 A24	V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.4Å; L19-A22 PolarHBondContact O-N 3.24Å; A22-A24 VanDerWaalsContact C-N 3.25Å; A22-A24 PolarHBondContact O-N 2.01Å
23	D	42.3	Very low	61.3	Low	113 Å²	113	77.7 Å²	77.7	60%	0.604	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-75.2	-11.3	179.7	-131	10.6	0	0	0	113.6	L19 A21	L19-D23 PolarHBondContact O-N 3.26Å; A21-D23 VanDerWaalsContact C-N 3.33Å
24	A	45.8	Very low	63.2	Low	64 Å²	64	75.3 Å²	75.3	53%	0.529	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-81.5	-13.8	-176.6	0	0	0	0	0	114	A21 A22 G26	A21-A24 PolarHBondContact O-N 3.27Å; A22-A24 VanDerWaalsContact C-N 3.25Å; A22-A24 PolarHBondContact O-N 2.01Å; A24-G26 VanDerWaalsContact C-N 3.32Å; A24-G26 PolarHBondContact O-N 2.86Å
25	Q	47.3	Very low	65.3	Low	182 Å²	182	72 Å²	72	85%	0.85	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-81.3	-4.7	-174.6	-102.7	158.3	-24.3	0	0	114.9
26	G	53.6	Low	67.5	Low	71 Å²	71	70.5 Å²	70.5	73%	0.732	41%	0.412	S	S	*	.	S	Bend	trans	-126.9	0.2	-179.6	0	0	0	0	0	116.8	A24 K28	A24-G26 VanDerWaalsContact C-N 3.32Å; A24-G26 PolarHBondContact O-N 2.86Å; G26-K28 PolarHBondContact O-N 3.18Å
27	Q	70	Confident	69.7	Low	94 Å²	94	71.1 Å²	71.1	44%	0.439	41%	0.405	S	S	.	.			trans	-77.1	126.2	-171	-75.5	-177.3	-4.4	0	0	113.5	V29 L77	Q27-V29 PolarHBondContact O-N 3.32Å; Q27-L77 HydrophobicContact CB-CD2 4.27Å
28	K	81.9	Confident	72.2	Confident	144 Å²	144	65.2 Å²	65.2	63%	0.626	37%	0.374	S	S	*	.			trans	-69.2	116.9	175	-69.5	179.7	-177	176.4	0	110.2	G26 F30 V100	G26-K28 PolarHBondContact O-N 3.18Å; K28-F30 HydrophobicContact CB-CE2 4.02Å; K28-F30 HydrophobicContact CB-CZ 4.22Å; K28-F30 WeakPolarHBondContact O-CD2 3.5Å; K28-F30 PolarHBondContact O-N 2.9Å; K28-V100 HydrophobicContact CB-CG1 3.81Å; K28-V100 HydrophobicContact CG-CG1 4.25Å
29	V	89.7	Confident	74.1	Confident	43 Å²	43	62.6 Å²	62.6	26%	0.261	36%	0.359	S	S	.	.			trans	-88.3	102.4	174.3	-178	0	0	0	0	110	Q27 R75 S76 L77 V100 A101	Q27-V29 PolarHBondContact O-N 3.32Å; V29-R75 HydrophobicContact CG1-CB 3.81Å; V29-R75 HydrophobicContact CG1-CG 3.98Å; V29-S76 CarbonylContact C-O 3.59Å; V29-S76 WeakPolarHBondContact CA-O 3.49Å; V29-L77 HydrophobicContact CG2-CD2 4.47Å; V29-V100 CarbonylContact O-C 3.52Å; V29-V100 WeakPolarHBondContact O-CA 3.31Å; V29-V100 WeakPolarHBondContact O-CG1 3.34Å; V29-A101 HydrophobicContact CB-CB 4.31Å; V29-A101 PolarHBondContact O-N 2.84Å
30	F	91.9	Very high	75.9	Confident	31 Å²	31	59.2 Å²	59.2	14%	0.136	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.3	175.5	-62.9	-89.2	0	0	0	111.1	K28 R75 S76 S78 P79 Q98 V100	K28-F30 HydrophobicContact CB-CE2 4.02Å; K28-F30 HydrophobicContact CB-CZ 4.22Å; K28-F30 WeakPolarHBondContact O-CD2 3.5Å; K28-F30 PolarHBondContact O-N 2.9Å; F30-R75 CarbonylContact O-C 3.55Å; F30-R75 WeakPolarHBondContact O-CA 3.38Å; F30-S76 PolarHBondContact N-O 2.8Å; F30-S76 PolarHBondContact O-N 2.63Å; F30-S78 VanDerWaalsContact CD2-C 3.49Å; F30-P79 HydrophobicContact CD1-CB 3.93Å; F30-P79 HydrophobicContact CE1-CB 3.75Å; F30-P79 HydrophobicContact CE1-CG 4.4Å; F30-P79 HydrophobicContact CE2-CB 4.36Å; F30-P79 HydrophobicContact CE2-CG 4.43Å; F30-P79 HydrophobicContact CG-CB 4.32Å; F30-P79 HydrophobicContact CZ-CB 3.97Å; F30-P79 HydrophobicContact CZ-CG 4.15Å; F30-Q98 HydrophobicContact CD1-CB 4.49Å; F30-Q98 HydrophobicContact CD1-CG 4.36Å; F30-V100 HydrophobicContact CD1-CG2 3.66Å; F30-V100 HydrophobicContact CE1-CG2 3.69Å; F30-V100 HydrophobicContact CG-CG2 4.36Å; F30-V100 HydrophobicContact CZ-CG2 4.42Å
31	T	93.9	Very high	78	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	170.6	178.4	72	0	0	0	0	111.6	T33 K74 Q98 Q99 A101	T31-T33 PolarHBondContact O-N 2.83Å; T31-T33 PolarHBondContact OG1-N 2.87Å; T31-T33 PolarHBondContact OG1-OG1 3.35Å; T31-K74 WeakPolarHBondContact CA-O 3.04Å; T31-Q98 WeakPolarHBondContact O-CG 3.4Å; T31-Q98 PolarHBondContact O-NE2 3.47Å; T31-Q99 WeakPolarHBondContact CB-O 3.24Å; T31-Q99 WeakPolarHBondContact CG2-O 3.46Å; T31-Q99 PolarHBondContact N-O 3.35Å; T31-Q99 WeakPolarHBondContact OG1-CB 3.05Å; T31-Q99 PolarHBondContact OG1-O 3Å; T31-A101 HydrophobicContact CG2-CB 4.25Å
32	N	94.8	Very high	80.3	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.08	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	26.5	171.5	62.5	-13.8	0	0	0	113.8	W34 W68 H69 V72 T73	N32-W34 WeakPolarHBondContact O-CZ3 3.37Å; N32-W68 PolarHBondContact ND2-NE1 3.01Å; N32-W68 VanDerWaalsContact ND2-NE1 3.11Å; N32-W68 PolarHBondContact OD1-NE1 3.5Å; N32-H69 PolarHBondContact O-N 2.67Å; N32-V72 HydrophobicContact CB-CB 3.81Å; N32-V72 HydrophobicContact CB-CG1 3.93Å; N32-V72 WeakPolarHBondContact CB-O 3.48Å; N32-V72 PolarHBondContact ND2-O 2.91Å; N32-T73 WeakPolarHBondContact CB-O 3.42Å
33	T	95.9	Very high	82.7	Confident	18 Å²	18	55.5 Å²	55.5	11%	0.11	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.7	177	66	0	0	0	0	112.7	T31 H66 F67 W68 Q99	T31-T33 PolarHBondContact O-N 2.83Å; T31-T33 PolarHBondContact OG1-N 2.87Å; T31-T33 PolarHBondContact OG1-OG1 3.35Å; T33-H66 WeakPolarHBondContact CB-NE2 3.44Å; T33-H66 PolarHBondContact OG1-NE2 3.1Å; T33-F67 CarbonylContact C-O 3.58Å; T33-F67 WeakPolarHBondContact CA-O 3.5Å; T33-F67 WeakPolarHBondContact CB-O 3.41Å; T33-W68 HydrophobicContact CG2-CB 4.06Å; T33-W68 HydrophobicContact CG2-CG 4.2Å; T33-Q99 PolarHBondContact O-N 2.68Å; T33-Q99 WeakPolarHBondContact OG1-CB 3.09Å
34	W	96.6	Very high	85.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.7	179.3	-74.8	-110.1	0	0	0	109.4	N32 V36 F54 H66 F67 H69 V72 H80 R83 H84 E97 Q98	N32-W34 WeakPolarHBondContact O-CZ3 3.37Å; W34-V36 HydrophobicContact CB-CG2 3.88Å; W34-F54 AromaticContact CD2-CE1 3.86Å; W34-F54 HydrophobicContact CD2-CE1 3.86Å; W34-F54 HydrophobicContact CD2-CZ 4.41Å; W34-F54 HydrophobicContact CE3-CD1 4.29Å; W34-F54 AromaticContact CE3-CE1 3.42Å; W34-F54 HydrophobicContact CE3-CE1 3.42Å; W34-F54 VanDerWaalsContact CE3-CE1 3.42Å; W34-F54 HydrophobicContact CE3-CZ 4.28Å; W34-F54 HydrophobicContact CG-CE1 4.5Å; W34-F54 HydrophobicContact CH2-CE1 4.34Å; W34-F54 AromaticContact CZ3-CE1 3.68Å; W34-F54 HydrophobicContact CZ3-CE1 3.68Å; W34-F54 HydrophobicContact CZ3-CZ 4.37Å; W34-H66 CarbonylContact O-C 3.18Å; W34-H66 PolarHBondContact O-CD2 3.35Å; W34-F67 HydrophobicContact CB-CB 4.35Å; W34-F67 PolarHBondContact N-O 3.32Å; W34-F67 PolarHBondContact O-N 3.04Å; W34-H69 HydrophobicContact CZ3-CB 4.06Å; W34-V72 HydrophobicContact CH2-CB 4.15Å; W34-V72 HydrophobicContact CH2-CG1 3.97Å; W34-V72 HydrophobicContact CH2-CG2 3.9Å; W34-V72 HydrophobicContact CZ3-CB 4.46Å; W34-V72 HydrophobicContact CZ3-CG2 4.44Å; W34-H80 HydrophobicContact CH2-CB 4.26Å; W34-H80 HydrophobicContact CZ2-CB 4.13Å; W34-R83 HydrophobicContact CZ2-CB 4.33Å; W34-H84 AromaticContact CD1-ND1 3.83Å; W34-H84 AromaticContact NE1-ND1 3.43Å; W34-H84 PolarHBondContact NE1-ND1 3.23Å; W34-E97 CarbonylContact C-O 3.58Å; W34-E97 VanDerWaalsContact CA-O 3.25Å; W34-E97 WeakPolarHBondContact CA-O 3.35Å; W34-Q98 HydrophobicContact CD2-CB 4.33Å; W34-Q98 HydrophobicContact CD2-CG 4.12Å; W34-Q98 HydrophobicContact CG-CB 4.38Å; W34-Q98 HydrophobicContact CH2-CG 4.28Å; W34-Q98 HydrophobicContact CZ2-CB 4.27Å; W34-Q98 HydrophobicContact CZ2-CG 3.76Å
35	A	96.2	Very high	87.4	Confident	7 Å²	7	48.7 Å²	48.7	6%	0.058	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.9	159.4	0	0	0	0	0	106.9	I60 Y65 W95 L96 E97	A35-I60 HydrophobicContact CB-CD1 3.9Å; A35-Y65 WeakPolarHBondContact CA-O 3.17Å; A35-W95 HydrophobicContact CB-CH2 4.11Å; A35-W95 HydrophobicContact CB-CZ3 3.71Å; A35-W95 WeakPolarHBondContact O-CZ3 3.41Å; A35-L96 CarbonylContact O-C 3.53Å; A35-L96 VanDerWaalsContact O-CA 3.27Å; A35-L96 WeakPolarHBondContact O-CA 3.31Å; A35-E97 PolarHBondContact N-O 3.37Å; A35-E97 PolarHBondContact O-N 3.34Å
36	V	95.9	Very high	89.7	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.8	-174.4	-167.7	0	0	0	0	108.6	W34 I38 Y64 Y65 F67 L87 V93 W95 L96	W34-V36 HydrophobicContact CB-CG2 3.88Å; V36-I38 HydrophobicContact CG1-CD1 3.89Å; V36-I38 HydrophobicContact CG1-CG1 3.75Å; V36-Y64 CarbonylContact O-C 3.43Å; V36-Y64 WeakPolarHBondContact O-CA 3.15Å; V36-Y65 PolarHBondContact N-O 2.99Å; V36-Y65 PolarHBondContact O-N 2.83Å; V36-F67 HydrophobicContact CB-CD2 4.5Å; V36-F67 HydrophobicContact CG2-CB 4.26Å; V36-F67 HydrophobicContact CG2-CD2 3.82Å; V36-F67 HydrophobicContact CG2-CE2 4.28Å; V36-F67 HydrophobicContact CG2-CG 3.98Å; V36-L87 HydrophobicContact CG2-CD1 4.46Å; V36-V93 HydrophobicContact CG1-CB 4.29Å; V36-V93 HydrophobicContact CG1-CG1 3.55Å; V36-V93 HydrophobicContact CG1-CG2 3.85Å; V36-W95 CarbonylContact C-O 3.57Å; V36-W95 WeakPolarHBondContact CA-O 3.49Å; V36-L96 HydrophobicContact CG1-CB 4.15Å; V36-L96 HydrophobicContact CG2-CB 4.2Å
37	R	96.6	Very high	91.7	Very high	90 Å²	90	43.2 Å²	43.2	34%	0.34	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.2	173.4	-168	-172.9	177.1	-172.2	-3.7	109.8	D63 Y64 Q94 W95	R37-D63 CarbonylContact C-O 3.53Å; R37-D63 VanDerWaalsContact CA-O 3.29Å; R37-D63 WeakPolarHBondContact CA-O 3.47Å; R37-D63 HydrophobicContact CG-CB 4.07Å; R37-Y64 HydrophobicContact CB-CD1 3.92Å; R37-Y64 HydrophobicContact CB-CE1 3.78Å; R37-Y64 HydrophobicContact CB-CG 4.4Å; R37-Y64 HydrophobicContact CG-CD1 4.32Å; R37-Y64 HydrophobicContact CG-CD2 4.27Å; R37-Y64 HydrophobicContact CG-CE1 4.1Å; R37-Y64 HydrophobicContact CG-CE2 4.02Å; R37-Y64 HydrophobicContact CG-CG 4.41Å; R37-Q94 PolarHBondContact O-N 2.7Å; R37-W95 HydrophobicContact CB-CB 3.91Å; R37-W95 HydrophobicContact CB-CE3 4.44Å; R37-W95 PolarHBondContact N-O 2.88Å
38	I	95.4	Very high	92.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.239	C	C	.	.			trans	-131.5	99.4	-178.9	-59.8	177.4	0	0	0	108.8	V36 V44 A45 V48 D63 Y65 F67 Q92 V93	V36-I38 HydrophobicContact CG1-CD1 3.89Å; V36-I38 HydrophobicContact CG1-CG1 3.75Å; I38-V44 HydrophobicContact CG2-CB 4.42Å; I38-V44 HydrophobicContact CG2-CG1 3.78Å; I38-A45 HydrophobicContact CB-CB 4.47Å; I38-A45 HydrophobicContact CD1-CB 4.23Å; I38-V48 HydrophobicContact CD1-CB 3.94Å; I38-V48 HydrophobicContact CD1-CG1 3.91Å; I38-V48 HydrophobicContact CD1-CG2 4.23Å; I38-D63 PolarHBondContact N-O 3.09Å; I38-Y65 HydrophobicContact CB-CD2 4.15Å; I38-Y65 HydrophobicContact CB-CE2 4.27Å; I38-Y65 WeakPolarHBondContact O-CE2 3.39Å; I38-F67 HydrophobicContact CD1-CE1 4.47Å; I38-F67 HydrophobicContact CD1-CE2 4.01Å; I38-F67 HydrophobicContact CD1-CZ 3.53Å; I38-Q92 WeakPolarHBondContact CA-O 3.48Å; I38-Q92 HydrophobicContact CG2-CB 4.16Å; I38-V93 HydrophobicContact CD1-CG2 4.02Å; I38-V93 HydrophobicContact CG1-CG2 3.98Å
39	P	88.8	Confident	93.4	Very high	44 Å²	44	32 Å²	32	29%	0.286	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	138.8	170.9	-4.6	17.3	0	0	0	110	Q92 Q94	P39-Q92 WeakPolarHBondContact CD-O 3.31Å; P39-Q94 HydrophobicContact CG-CG 3.78Å
40	G	85.4	Confident	93.7	Very high	57 Å²	57	39.6 Å²	39.6	59%	0.588	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	120.9	3.2	-178.6	0	0	0	0	0	114.8	V44	G40-V44 VanDerWaalsContact O-CG2 3.23Å; G40-V44 WeakPolarHBondContact O-CG2 3.25Å
41	G	89.8	Confident	93.8	Very high	20 Å²	20	44.7 Å²	44.7	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	85	176.3	169	0	0	0	0	0	115.5	A43 V44 A45 Y65	G41-A43 VanDerWaalsContact C-N 3.26Å; G41-A43 PolarHBondContact O-N 3.06Å; G41-A43 VanDerWaalsContact O-N 3.16Å; G41-V44 PolarHBondContact O-N 3.27Å; G41-V44 VanDerWaalsContact O-N 3.13Å; G41-A45 PolarHBondContact O-N 3.13Å; G41-Y65 VanDerWaalsContact CA-OH 3.29Å; G41-Y65 WeakPolarHBondContact CA-OH 3.12Å
42	P	91.4	Very high	93.8	Very high	71 Å²	71	44.9 Å²	44.9	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-30.3	-169.9	-25.2	34.2	0	0	0	114.5	N46 Y65	P42-N46 VanDerWaalsContact O-CB 3.3Å; P42-N46 WeakPolarHBondContact O-CB 3.22Å; P42-N46 PolarHBondContact O-N 3.11Å; P42-N46 PolarHBondContact O-ND2 2.91Å; P42-Y65 HydrophobicContact CB-CE1 4.29Å; P42-Y65 HydrophobicContact CG-CE1 4.28Å
43	A	92.8	Very high	93.7	Very high	77 Å²	77	46.4 Å²	46.4	64%	0.636	27%	0.274	S	S	*	.	H	α-helix	trans	-65	-43	178.2	0	0	0	0	0	111.9	G41 N46 S47	G41-A43 VanDerWaalsContact C-N 3.26Å; G41-A43 PolarHBondContact O-N 3.06Å; G41-A43 VanDerWaalsContact O-N 3.16Å; A43-N46 PolarHBondContact O-N 2.93Å; A43-S47 PolarHBondContact O-N 2.02Å
44	V	93.6	Very high	93.6	Very high	35 Å²	35	45.9 Å²	45.9	21%	0.212	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-45.7	177.3	179.2	0	0	0	0	110.2	I38 G40 G41 N46 S47 V48 Q92	I38-V44 HydrophobicContact CG2-CB 4.42Å; I38-V44 HydrophobicContact CG2-CG1 3.78Å; G40-V44 VanDerWaalsContact O-CG2 3.23Å; G40-V44 WeakPolarHBondContact O-CG2 3.25Å; G41-V44 PolarHBondContact O-N 3.27Å; G41-V44 VanDerWaalsContact O-N 3.13Å; V44-N46 VanDerWaalsContact C-N 3.32Å; V44-N46 PolarHBondContact O-N 3.09Å; V44-S47 WeakPolarHBondContact O-CB 3.17Å; V44-S47 PolarHBondContact O-N 2.8Å; V44-S47 VanDerWaalsContact O-N 3.13Å; V44-V48 HydrophobicContact CG1-CG2 4.5Å; V44-V48 WeakPolarHBondContact O-CG2 3.48Å; V44-V48 PolarHBondContact O-N 2.93Å; V44-Q92 HydrophobicContact CG1-CB 4.3Å; V44-Q92 VanDerWaalsContact CG1-CD 3.47Å; V44-Q92 HydrophobicContact CG1-CG 4.18Å
45	A	93.9	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-41.4	175.8	0	0	0	0	0	112.6	I38 G41 S47 V48 A49 Y65 F67	I38-A45 HydrophobicContact CB-CB 4.47Å; I38-A45 HydrophobicContact CD1-CB 4.23Å; G41-A45 PolarHBondContact O-N 3.13Å; A45-S47 PolarHBondContact O-N 2.82Å; A45-V48 PolarHBondContact O-N 3.43Å; A45-A49 WeakPolarHBondContact O-CB 3.05Å; A45-A49 PolarHBondContact O-N 2.88Å; A45-Y65 HydrophobicContact CB-CD1 3.7Å; A45-Y65 HydrophobicContact CB-CD2 3.52Å; A45-Y65 HydrophobicContact CB-CE1 3.85Å; A45-Y65 HydrophobicContact CB-CE2 3.66Å; A45-Y65 HydrophobicContact CB-CG 3.55Å; A45-F67 HydrophobicContact CB-CE1 4.33Å; A45-F67 HydrophobicContact CB-CZ 4.37Å; A45-F67 VanDerWaalsContact O-CZ 3.24Å; A45-F67 WeakPolarHBondContact O-CZ 3.47Å
46	N	95.4	Very high	93.5	Very high	61 Å²	61	51.3 Å²	51.3	33%	0.326	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-39.9	175.1	-78.9	-22.7	0	0	0	112.7	P42 A43 V44 R50 N56	P42-N46 VanDerWaalsContact O-CB 3.3Å; P42-N46 WeakPolarHBondContact O-CB 3.22Å; P42-N46 PolarHBondContact O-N 3.11Å; P42-N46 PolarHBondContact O-ND2 2.91Å; A43-N46 PolarHBondContact O-N 2.93Å; V44-N46 VanDerWaalsContact C-N 3.32Å; V44-N46 PolarHBondContact O-N 3.09Å; N46-R50 WeakPolarHBondContact O-CB 3.04Å; N46-R50 VanDerWaalsContact O-CG 3.32Å; N46-R50 WeakPolarHBondContact O-CG 2.95Å; N46-R50 PolarHBondContact O-N 3.15Å; N46-N56 WeakPolarHBondContact OD1-CB 3.29Å; N46-N56 PolarHBondContact OD1-ND2 3.14Å
47	S	95.3	Very high	93.4	Very high	76 Å²	76	55.7 Å²	55.7	53%	0.531	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-49.2	176	-171.5	0	0	0	0	111.2	A43 V44 A45 A49 R50 K51	A43-S47 PolarHBondContact O-N 2.02Å; V44-S47 WeakPolarHBondContact O-CB 3.17Å; V44-S47 PolarHBondContact O-N 2.8Å; V44-S47 VanDerWaalsContact O-N 3.13Å; A45-S47 PolarHBondContact O-N 2.82Å; S47-A49 PolarHBondContact O-N 3.48Å; S47-R50 PolarHBondContact O-N 2.04Å; S47-K51 WeakPolarHBondContact O-CB 3.06Å; S47-K51 PolarHBondContact O-N 3.12Å
48	V	94.6	Very high	93.1	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-44	177.8	176.5	0	0	0	0	111.5	I38 V44 A45 K51 H52 F67 L87 E90 Q92 V93	I38-V48 HydrophobicContact CD1-CB 3.94Å; I38-V48 HydrophobicContact CD1-CG1 3.91Å; I38-V48 HydrophobicContact CD1-CG2 4.23Å; V44-V48 HydrophobicContact CG1-CG2 4.5Å; V44-V48 WeakPolarHBondContact O-CG2 3.48Å; V44-V48 PolarHBondContact O-N 2.93Å; A45-V48 PolarHBondContact O-N 3.43Å; V48-K51 PolarHBondContact O-N 2.83Å; V48-H52 PolarHBondContact O-CD2 2.97Å; V48-H52 PolarHBondContact O-N 2.88Å; V48-F67 HydrophobicContact CG1-CE2 4.16Å; V48-L87 HydrophobicContact CG1-CD2 4.12Å; V48-E90 HydrophobicContact CG1-CB 4.49Å; V48-E90 HydrophobicContact CG1-CG 4.23Å; V48-Q92 HydrophobicContact CG2-CB 4.15Å; V48-V93 HydrophobicContact CG1-CG2 4.01Å
49	A	94.5	Very high	93.1	Very high	1 Å²	1	58 Å²	58	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-52.7	177.7	0	0	0	0	0	111.1	A45 S47 K51 H52 G53 F54 N56 F67	A45-A49 WeakPolarHBondContact O-CB 3.05Å; A45-A49 PolarHBondContact O-N 2.88Å; S47-A49 PolarHBondContact O-N 3.48Å; A49-K51 PolarHBondContact O-N 3.45Å; A49-H52 PolarHBondContact O-N 2.82Å; A49-G53 PolarHBondContact O-N 2.87Å; A49-F54 CarbonylContact C-O 3.59Å; A49-F54 HydrophobicContact CB-CB 4.03Å; A49-F54 WeakPolarHBondContact O-CA 3.45Å; A49-F54 PolarHBondContact O-N 3.26Å; A49-F54 VanDerWaalsContact O-O 3.1Å; A49-N56 HydrophobicContact CB-CB 3.95Å; A49-F67 HydrophobicContact CB-CD1 4.26Å; A49-F67 HydrophobicContact CB-CD2 4.12Å; A49-F67 HydrophobicContact CB-CE1 3.91Å; A49-F67 HydrophobicContact CB-CE2 3.76Å; A49-F67 HydrophobicContact CB-CG 4.37Å; A49-F67 HydrophobicContact CB-CZ 3.65Å
50	R	94.3	Very high	93.2	Very high	203 Å²	203	59.8 Å²	59.8	77%	0.766	35%	0.349	S	S	*	.	H	α-helix	trans	-60.3	-43.4	-179.7	-73.7	178.4	-174.8	177.8	2.6	112.2	N46 S47 H52 G53	N46-R50 WeakPolarHBondContact O-CB 3.04Å; N46-R50 VanDerWaalsContact O-CG 3.32Å; N46-R50 WeakPolarHBondContact O-CG 2.95Å; N46-R50 PolarHBondContact O-N 3.15Å; S47-R50 PolarHBondContact O-N 2.04Å; R50-H52 PolarHBondContact O-N 2.8Å; R50-G53 PolarHBondContact O-N 3.4Å; R50-G53 VanDerWaalsContact O-N 3.13Å
51	K	94.6	Very high	93.3	Very high	138 Å²	138	63.3 Å²	63.3	60%	0.6	35%	0.349	S	S	*	.	H	α-helix	trans	-53.7	-36.1	177.9	-175.4	-177.2	179.6	-169.5	0	112.5	S47 V48 A49 E90	S47-K51 WeakPolarHBondContact O-CB 3.06Å; S47-K51 PolarHBondContact O-N 3.12Å; V48-K51 PolarHBondContact O-N 2.83Å; A49-K51 PolarHBondContact O-N 3.45Å; K51-E90 VanDerWaalsContact CE-OE1 3.28Å; K51-E90 WeakPolarHBondContact CE-OE1 3.49Å; K51-E90 IonicContact NZ-OE1 3.59Å; K51-E90 PolarHBondContact NZ-OE1 2.03Å; K51-E90 IonicContact NZ-OE2 2.75Å; K51-E90 PolarHBondContact NZ-OE2 3.3Å
52	H	93.4	Very high	93.4	Very high	27 Å²	27	64.6 Å²	64.6	13%	0.125	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	6.9	-177.2	-72.6	-75.2	0	0	0	115	V48 A49 R50 F54 R83 L87 E90	V48-H52 PolarHBondContact O-CD2 2.97Å; V48-H52 PolarHBondContact O-N 2.88Å; A49-H52 PolarHBondContact O-N 2.82Å; R50-H52 PolarHBondContact O-N 2.8Å; H52-F54 VanDerWaalsContact C-N 3.33Å; H52-F54 HydrophobicContact CB-CD2 3.59Å; H52-F54 HydrophobicContact CB-CE2 3.85Å; H52-F54 WeakPolarHBondContact O-CD2 3.19Å; H52-R83 PolarHBondContact O-NH1 2.88Å; H52-L87 HydrophobicContact CB-CD2 3.99Å; H52-E90 IonicContact CD2-OE1 2.89Å; H52-E90 IonicContact CE1-OE1 3.67Å; H52-E90 PolarHBondContact CE1-OE1 3.05Å; H52-E90 WeakPolarHBondContact NE2-CG 3Å; H52-E90 IonicContact NE2-OE1 3.82Å; H52-E90 PolarHBondContact NE2-OE1 2.88Å
53	G	92.5	Very high	93.6	Very high	47 Å²	47	63.9 Å²	63.9	49%	0.485	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	20.4	-178.6	0	0	0	0	0	114.1	A49 R50 H69	A49-G53 PolarHBondContact O-N 2.87Å; R50-G53 PolarHBondContact O-N 3.4Å; R50-G53 VanDerWaalsContact O-N 3.13Å; G53-H69 PolarHBondContact O-CD2 2.92Å; G53-H69 VanDerWaalsContact O-CD2 3.23Å
54	F	95.4	Very high	93.8	Very high	7 Å²	7	63.1 Å²	63.1	3%	0.031	34%	0.335	C	S	.	.			trans	-91.4	147.8	171.6	-69.3	-99.6	0	0	0	110.9	W34 A49 H52 F67 W68 H69 R83 L87	W34-F54 AromaticContact CD2-CE1 3.86Å; W34-F54 HydrophobicContact CD2-CE1 3.86Å; W34-F54 HydrophobicContact CD2-CZ 4.41Å; W34-F54 HydrophobicContact CE3-CD1 4.29Å; W34-F54 AromaticContact CE3-CE1 3.42Å; W34-F54 HydrophobicContact CE3-CE1 3.42Å; W34-F54 VanDerWaalsContact CE3-CE1 3.42Å; W34-F54 HydrophobicContact CE3-CZ 4.28Å; W34-F54 HydrophobicContact CG-CE1 4.5Å; W34-F54 HydrophobicContact CH2-CE1 4.34Å; W34-F54 AromaticContact CZ3-CE1 3.68Å; W34-F54 HydrophobicContact CZ3-CE1 3.68Å; W34-F54 HydrophobicContact CZ3-CZ 4.37Å; A49-F54 CarbonylContact C-O 3.59Å; A49-F54 HydrophobicContact CB-CB 4.03Å; A49-F54 WeakPolarHBondContact O-CA 3.45Å; A49-F54 PolarHBondContact O-N 3.26Å; A49-F54 VanDerWaalsContact O-O 3.1Å; H52-F54 VanDerWaalsContact C-N 3.33Å; H52-F54 HydrophobicContact CB-CD2 3.59Å; H52-F54 HydrophobicContact CB-CE2 3.85Å; H52-F54 WeakPolarHBondContact O-CD2 3.19Å; F54-F67 HydrophobicContact CB-CB 4.19Å; F54-F67 HydrophobicContact CB-CD2 4.07Å; F54-F67 HydrophobicContact CB-CG 4.31Å; F54-F67 HydrophobicContact CD1-CB 3.77Å; F54-F67 HydrophobicContact CD1-CD2 4.41Å; F54-F67 HydrophobicContact CG-CB 4.26Å; F54-F67 HydrophobicContact CG-CD2 4.2Å; F54-W68 CarbonylContact C-O 3.56Å; F54-W68 VanDerWaalsContact CA-O 3.29Å; F54-W68 WeakPolarHBondContact CA-O 3.38Å; F54-H69 HydrophobicContact CD1-CB 3.65Å; F54-H69 AromaticContact CD2-CD2 3.79Å; F54-H69 HydrophobicContact CE1-CB 3.57Å; F54-H69 AromaticContact CE2-CD2 3.74Å; F54-H69 HydrophobicContact CG-CB 4.33Å; F54-H69 AromaticContact CG-CD2 3.96Å; F54-H69 HydrophobicContact CZ-CB 4.18Å; F54-H69 AromaticContact CZ-CD2 3.88Å; F54-R83 HydrophobicContact CZ-CB 4.04Å; F54-L87 HydrophobicContact CD1-CD1 4.36Å; F54-L87 HydrophobicContact CD2-CD1 4.07Å; F54-L87 HydrophobicContact CD2-CD2 4.17Å; F54-L87 HydrophobicContact CD2-CG 4.26Å; F54-L87 HydrophobicContact CE1-CD1 3.81Å; F54-L87 HydrophobicContact CE2-CD1 3.5Å; F54-L87 HydrophobicContact CE2-CD2 4.08Å; F54-L87 HydrophobicContact CE2-CG 3.68Å; F54-L87 HydrophobicContact CG-CD1 4.46Å; F54-L87 HydrophobicContact CZ-CD1 3.34Å; F54-L87 HydrophobicContact CZ-CG 4Å
55	L	95.2	Very high	93.9	Very high	96 Å²	96	61.5 Å²	61.5	50%	0.503	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.8	163.3	-174.9	64.4	0	0	0	108.1	L57 F67 W68	L55-L57 HydrophobicContact CD2-CD2 3.79Å; L55-L57 HydrophobicContact CG-CD2 4.11Å; L55-L57 PolarHBondContact O-N 3.1Å; L55-F67 CarbonylContact O-C 3.51Å; L55-F67 WeakPolarHBondContact O-CA 3.38Å; L55-W68 HydrophobicContact CB-CE3 3.92Å; L55-W68 HydrophobicContact CD2-CE3 4.23Å; L55-W68 PolarHBondContact N-O 3.41Å; L55-W68 PolarHBondContact O-N 3.33Å
56	N	95.1	Very high	94	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.134	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	114	168.6	-173.8	7.6	0	0	0	108.4	N46 A49 G58 H66 F67	N46-N56 WeakPolarHBondContact OD1-CB 3.29Å; N46-N56 PolarHBondContact OD1-ND2 3.14Å; A49-N56 HydrophobicContact CB-CB 3.95Å; N56-G58 VanDerWaalsContact C-N 3.27Å; N56-G58 PolarHBondContact OD1-N 2.84Å; N56-G58 VanDerWaalsContact OD1-N 3.13Å; N56-G58 PolarHBondContact OD1-O 2.02Å; N56-H66 PolarHBondContact OD1-O 3.01Å; N56-F67 HydrophobicContact CB-CD1 4.16Å; N56-F67 HydrophobicContact CB-CE1 4.01Å
57	L	92.8	Very high	94.1	Very high	92 Å²	92	61.5 Å²	61.5	48%	0.482	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-9	179	-61.3	-177.4	0	0	0	112.7	L55 H66 W68	L55-L57 HydrophobicContact CD2-CD2 3.79Å; L55-L57 HydrophobicContact CG-CD2 4.11Å; L55-L57 PolarHBondContact O-N 3.1Å; L57-H66 HydrophobicContact CB-CB 4.26Å; L57-H66 WeakPolarHBondContact CB-O 3.07Å; L57-H66 PolarHBondContact N-O 3.31Å; L57-W68 HydrophobicContact CD1-CB 3.73Å; L57-W68 HydrophobicContact CD1-CG 4.44Å; L57-W68 HydrophobicContact CD2-CB 4.14Å; L57-W68 HydrophobicContact CG-CB 3.84Å
58	G	91.5	Very high	94.2	Very high	29 Å²	29	61.6 Å²	61.6	30%	0.299	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.4	175.8	177.8	0	0	0	0	0	113.2	N56 Y65 H66	N56-G58 VanDerWaalsContact C-N 3.27Å; N56-G58 PolarHBondContact OD1-N 2.84Å; N56-G58 VanDerWaalsContact OD1-N 3.13Å; N56-G58 PolarHBondContact OD1-O 2.02Å; G58-Y65 WeakPolarHBondContact O-CA 3.43Å; G58-H66 PolarHBondContact O-N 3.38Å
59	Q	94.7	Very high	94.2	Very high	111 Å²	111	62 Å²	62	52%	0.519	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133.7	174.6	-168.2	177.2	25.2	0	0	109.3	G62 Y65	Q59-G62 WeakPolarHBondContact CG-O 3.35Å; Q59-G62 PolarHBondContact NE2-O 2.82Å; Q59-Y65 HydrophobicContact CB-CD1 4.11Å; Q59-Y65 HydrophobicContact CB-CE1 3.91Å; Q59-Y65 HydrophobicContact CG-CD1 4.41Å; Q59-Y65 HydrophobicContact CG-CE1 3.99Å
60	I	91.7	Very high	94	Very high	80 Å²	80	72.3 Å²	72.3	41%	0.41	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-56.9	174.2	-51.3	176.8	0	0	0	108.4	A35 Y64 H66	A35-I60 HydrophobicContact CB-CD1 3.9Å; I60-Y64 PolarHBondContact N-O 3.17Å; I60-H66 HydrophobicContact CD1-CB 4.03Å; I60-H66 HydrophobicContact CG1-CB 3.89Å
61	F	87.3	Confident	93.7	Very high	132 Å²	132	65.6 Å²	65.6	58%	0.579	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-168.1	149.5	169.9	54.3	-97.1	0	0	0	108.7	D63 Y64	F61-D63 PolarHBondContact O-N 3.25Å; F61-Y64 AromaticContact CD2-CD2 3.87Å; F61-Y64 HydrophobicContact CD2-CD2 3.87Å; F61-Y64 HydrophobicContact CD2-CE2 4.48Å; F61-Y64 AromaticContact CE2-CD2 3.42Å; F61-Y64 HydrophobicContact CE2-CD2 3.42Å; F61-Y64 VanDerWaalsContact CE2-CD2 3.42Å; F61-Y64 AromaticContact CE2-CE2 3.75Å; F61-Y64 HydrophobicContact CE2-CE2 3.75Å; F61-Y64 HydrophobicContact CE2-CG 4Å; F61-Y64 HydrophobicContact CZ-CD2 4.1Å; F61-Y64 HydrophobicContact CZ-CE2 4.46Å; F61-Y64 HydrophobicContact CZ-CG 4.26Å; F61-Y64 WeakPolarHBondContact O-CB 3.39Å; F61-Y64 PolarHBondContact O-N 3.36Å
62	G	92.4	Very high	93.6	Very high	47 Å²	47	59.4 Å²	59.4	49%	0.485	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	-136.8	179.7	0	0	0	0	0	112.4	Q59 Y64	Q59-G62 WeakPolarHBondContact CG-O 3.35Å; Q59-G62 PolarHBondContact NE2-O 2.82Å; G62-Y64 PolarHBondContact O-N 2.65Å; G62-Y64 VanDerWaalsContact O-N 3.13Å
63	D	94.3	Very high	93.4	Very high	56 Å²	56	62.6 Å²	62.6	30%	0.299	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	13.9	178.9	-62.6	-40.7	0	0	0	114.7	R37 I38 F61 Y65	R37-D63 CarbonylContact C-O 3.53Å; R37-D63 VanDerWaalsContact CA-O 3.29Å; R37-D63 WeakPolarHBondContact CA-O 3.47Å; R37-D63 HydrophobicContact CG-CB 4.07Å; I38-D63 PolarHBondContact N-O 3.09Å; F61-D63 PolarHBondContact O-N 3.25Å; D63-Y65 VanDerWaalsContact O-CD2 3.28Å; D63-Y65 WeakPolarHBondContact O-CD2 3.5Å; D63-Y65 VanDerWaalsContact O-CE2 3.3Å; D63-Y65 WeakPolarHBondContact O-CE2 3.12Å
64	Y	96.6	Very high	93.2	Very high	61 Å²	61	67.8 Å²	67.8	24%	0.239	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.1	179.7	-66.2	-99.6	0	0	0	111.7	V36 R37 I60 F61 G62 W95	V36-Y64 CarbonylContact O-C 3.43Å; V36-Y64 WeakPolarHBondContact O-CA 3.15Å; R37-Y64 HydrophobicContact CB-CD1 3.92Å; R37-Y64 HydrophobicContact CB-CE1 3.78Å; R37-Y64 HydrophobicContact CB-CG 4.4Å; R37-Y64 HydrophobicContact CG-CD1 4.32Å; R37-Y64 HydrophobicContact CG-CD2 4.27Å; R37-Y64 HydrophobicContact CG-CE1 4.1Å; R37-Y64 HydrophobicContact CG-CE2 4.02Å; R37-Y64 HydrophobicContact CG-CG 4.41Å; I60-Y64 PolarHBondContact N-O 3.17Å; F61-Y64 AromaticContact CD2-CD2 3.87Å; F61-Y64 HydrophobicContact CD2-CD2 3.87Å; F61-Y64 HydrophobicContact CD2-CE2 4.48Å; F61-Y64 AromaticContact CE2-CD2 3.42Å; F61-Y64 HydrophobicContact CE2-CD2 3.42Å; F61-Y64 VanDerWaalsContact CE2-CD2 3.42Å; F61-Y64 AromaticContact CE2-CE2 3.75Å; F61-Y64 HydrophobicContact CE2-CE2 3.75Å; F61-Y64 HydrophobicContact CE2-CG 4Å; F61-Y64 HydrophobicContact CZ-CD2 4.1Å; F61-Y64 HydrophobicContact CZ-CE2 4.46Å; F61-Y64 HydrophobicContact CZ-CG 4.26Å; F61-Y64 WeakPolarHBondContact O-CB 3.39Å; F61-Y64 PolarHBondContact O-N 3.36Å; G62-Y64 PolarHBondContact O-N 2.65Å; G62-Y64 VanDerWaalsContact O-N 3.13Å; Y64-W95 HydrophobicContact CD1-CE3 4.02Å; Y64-W95 HydrophobicContact CD1-CZ3 4Å; Y64-W95 HydrophobicContact CE1-CD2 4.36Å; Y64-W95 AromaticContact CE1-CE3 3.69Å; Y64-W95 HydrophobicContact CE1-CE3 3.69Å; Y64-W95 AromaticContact CE1-CZ3 3.92Å; Y64-W95 HydrophobicContact CE1-CZ3 3.92Å
65	Y	96.8	Very high	92.9	Very high	1 Å²	1	77 Å²	77	0%	0.004	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.2	-177	-61.5	-84	0	0	0	111.5	A35 V36 I38 G41 P42 A45 G58 Q59 D63	A35-Y65 WeakPolarHBondContact CA-O 3.17Å; V36-Y65 PolarHBondContact N-O 2.99Å; V36-Y65 PolarHBondContact O-N 2.83Å; I38-Y65 HydrophobicContact CB-CD2 4.15Å; I38-Y65 HydrophobicContact CB-CE2 4.27Å; I38-Y65 WeakPolarHBondContact O-CE2 3.39Å; G41-Y65 VanDerWaalsContact CA-OH 3.29Å; G41-Y65 WeakPolarHBondContact CA-OH 3.12Å; P42-Y65 HydrophobicContact CB-CE1 4.29Å; P42-Y65 HydrophobicContact CG-CE1 4.28Å; A45-Y65 HydrophobicContact CB-CD1 3.7Å; A45-Y65 HydrophobicContact CB-CD2 3.52Å; A45-Y65 HydrophobicContact CB-CE1 3.85Å; A45-Y65 HydrophobicContact CB-CE2 3.66Å; A45-Y65 HydrophobicContact CB-CG 3.55Å; G58-Y65 WeakPolarHBondContact O-CA 3.43Å; Q59-Y65 HydrophobicContact CB-CD1 4.11Å; Q59-Y65 HydrophobicContact CB-CE1 3.91Å; Q59-Y65 HydrophobicContact CG-CD1 4.41Å; Q59-Y65 HydrophobicContact CG-CE1 3.99Å; D63-Y65 VanDerWaalsContact O-CD2 3.28Å; D63-Y65 WeakPolarHBondContact O-CD2 3.5Å; D63-Y65 VanDerWaalsContact O-CE2 3.3Å; D63-Y65 WeakPolarHBondContact O-CE2 3.12Å
66	H	96.6	Very high	92.6	Very high	60 Å²	60	73.9 Å²	73.9	28%	0.278	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	107	179.6	-167.2	-179.5	0	0	0	110.2	T33 W34 N56 L57 G58 I60	T33-H66 WeakPolarHBondContact CB-NE2 3.44Å; T33-H66 PolarHBondContact OG1-NE2 3.1Å; W34-H66 CarbonylContact O-C 3.18Å; W34-H66 PolarHBondContact O-CD2 3.35Å; N56-H66 PolarHBondContact OD1-O 3.01Å; L57-H66 HydrophobicContact CB-CB 4.26Å; L57-H66 WeakPolarHBondContact CB-O 3.07Å; L57-H66 PolarHBondContact N-O 3.31Å; G58-H66 PolarHBondContact O-N 3.38Å; I60-H66 HydrophobicContact CD1-CB 4.03Å; I60-H66 HydrophobicContact CG1-CB 3.89Å
67	F	97.3	Very high	92.3	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140	179.8	-75.8	14	0	0	0	110.8	T33 W34 V36 I38 A45 V48 A49 F54 L55 N56 L87	T33-F67 CarbonylContact C-O 3.58Å; T33-F67 WeakPolarHBondContact CA-O 3.5Å; T33-F67 WeakPolarHBondContact CB-O 3.41Å; W34-F67 HydrophobicContact CB-CB 4.35Å; W34-F67 PolarHBondContact N-O 3.32Å; W34-F67 PolarHBondContact O-N 3.04Å; V36-F67 HydrophobicContact CB-CD2 4.5Å; V36-F67 HydrophobicContact CG2-CB 4.26Å; V36-F67 HydrophobicContact CG2-CD2 3.82Å; V36-F67 HydrophobicContact CG2-CE2 4.28Å; V36-F67 HydrophobicContact CG2-CG 3.98Å; I38-F67 HydrophobicContact CD1-CE1 4.47Å; I38-F67 HydrophobicContact CD1-CE2 4.01Å; I38-F67 HydrophobicContact CD1-CZ 3.53Å; A45-F67 HydrophobicContact CB-CE1 4.33Å; A45-F67 HydrophobicContact CB-CZ 4.37Å; A45-F67 VanDerWaalsContact O-CZ 3.24Å; A45-F67 WeakPolarHBondContact O-CZ 3.47Å; V48-F67 HydrophobicContact CG1-CE2 4.16Å; A49-F67 HydrophobicContact CB-CD1 4.26Å; A49-F67 HydrophobicContact CB-CD2 4.12Å; A49-F67 HydrophobicContact CB-CE1 3.91Å; A49-F67 HydrophobicContact CB-CE2 3.76Å; A49-F67 HydrophobicContact CB-CG 4.37Å; A49-F67 HydrophobicContact CB-CZ 3.65Å; F54-F67 HydrophobicContact CB-CB 4.19Å; F54-F67 HydrophobicContact CB-CD2 4.07Å; F54-F67 HydrophobicContact CB-CG 4.31Å; F54-F67 HydrophobicContact CD1-CB 3.77Å; F54-F67 HydrophobicContact CD1-CD2 4.41Å; F54-F67 HydrophobicContact CG-CB 4.26Å; F54-F67 HydrophobicContact CG-CD2 4.2Å; L55-F67 CarbonylContact O-C 3.51Å; L55-F67 WeakPolarHBondContact O-CA 3.38Å; N56-F67 HydrophobicContact CB-CD1 4.16Å; N56-F67 HydrophobicContact CB-CE1 4.01Å; F67-L87 HydrophobicContact CD2-CD1 4.22Å; F67-L87 HydrophobicContact CD2-CD2 4.24Å; F67-L87 HydrophobicContact CE2-CD2 4.19Å
68	W	96.8	Very high	92.1	Very high	79 Å²	79	77.1 Å²	77.1	30%	0.299	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.6	176.3	175.5	88.6	0	0	0	110.9	N32 T33 F54 L55 L57 R70	N32-W68 PolarHBondContact ND2-NE1 3.01Å; N32-W68 VanDerWaalsContact ND2-NE1 3.11Å; N32-W68 PolarHBondContact OD1-NE1 3.5Å; T33-W68 HydrophobicContact CG2-CB 4.06Å; T33-W68 HydrophobicContact CG2-CG 4.2Å; F54-W68 CarbonylContact C-O 3.56Å; F54-W68 VanDerWaalsContact CA-O 3.29Å; F54-W68 WeakPolarHBondContact CA-O 3.38Å; L55-W68 HydrophobicContact CB-CE3 3.92Å; L55-W68 HydrophobicContact CD2-CE3 4.23Å; L55-W68 PolarHBondContact N-O 3.41Å; L55-W68 PolarHBondContact O-N 3.33Å; L57-W68 HydrophobicContact CD1-CB 3.73Å; L57-W68 HydrophobicContact CD1-CG 4.44Å; L57-W68 HydrophobicContact CD2-CB 4.14Å; L57-W68 HydrophobicContact CG-CB 3.84Å; W68-R70 VanDerWaalsContact CH2-CA 3.47Å; W68-R70 HydrophobicContact CH2-CB 3.46Å; W68-R70 VanDerWaalsContact CH2-CB 3.46Å; W68-R70 HydrophobicContact CH2-CG 3.74Å; W68-R70 HydrophobicContact CZ2-CB 4.28Å; W68-R70 HydrophobicContact CZ3-CB 3.6Å; W68-R70 HydrophobicContact CZ3-CG 4.3Å
69	H	94.5	Very high	92.1	Very high	11 Å²	11	78.3 Å²	78.3	5%	0.051	40%	0.397	C	S	.	.			trans	-124.6	117.7	-179.7	-165.4	-78	0	0	0	112	N32 W34 G53 F54 G71 V72 R83	N32-H69 PolarHBondContact O-N 2.67Å; W34-H69 HydrophobicContact CZ3-CB 4.06Å; G53-H69 PolarHBondContact O-CD2 2.92Å; G53-H69 VanDerWaalsContact O-CD2 3.23Å; F54-H69 HydrophobicContact CD1-CB 3.65Å; F54-H69 AromaticContact CD2-CD2 3.79Å; F54-H69 HydrophobicContact CE1-CB 3.57Å; F54-H69 AromaticContact CE2-CD2 3.74Å; F54-H69 HydrophobicContact CG-CB 4.33Å; F54-H69 AromaticContact CG-CD2 3.96Å; F54-H69 HydrophobicContact CZ-CB 4.18Å; F54-H69 AromaticContact CZ-CD2 3.88Å; H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 WeakPolarHBondContact ND1-CA 3.33Å; H69-G71 PolarHBondContact ND1-N 3.02Å; H69-G71 PolarHBondContact O-N 2.91Å; H69-V72 HydrophobicContact CB-CB 4.46Å; H69-V72 HydrophobicContact CB-CG2 4.16Å; H69-V72 PolarHBondContact O-N 3.46Å; H69-R83 PolarHBondContact NE2-NE 3.17Å; H69-R83 PolarHBondContact NE2-NH1 2.91Å
70	R	91.1	Very high	92	Very high	217 Å²	217	75.8 Å²	75.8	82%	0.819	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.8	-178.5	-171.9	174.7	178.4	-174.4	-0	113.5	W68 V72	W68-R70 VanDerWaalsContact CH2-CA 3.47Å; W68-R70 HydrophobicContact CH2-CB 3.46Å; W68-R70 VanDerWaalsContact CH2-CB 3.46Å; W68-R70 HydrophobicContact CH2-CG 3.74Å; W68-R70 HydrophobicContact CZ2-CB 4.28Å; W68-R70 HydrophobicContact CZ3-CB 3.6Å; W68-R70 HydrophobicContact CZ3-CG 4.3Å; R70-V72 VanDerWaalsContact C-N 3.25Å; R70-V72 PolarHBondContact O-N 3.06Å
71	G	87.9	Confident	92	Very high	62 Å²	62	81.1 Å²	81.1	64%	0.639	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	6.1	-178	0	0	0	0	0	115.3	H69	H69-G71 VanDerWaalsContact C-N 3.3Å; H69-G71 WeakPolarHBondContact ND1-CA 3.33Å; H69-G71 PolarHBondContact ND1-N 3.02Å; H69-G71 PolarHBondContact O-N 2.91Å
72	V	91.8	Very high	92.2	Very high	7 Å²	7	78.5 Å²	78.5	4%	0.042	40%	0.397	C	S	.	.	S	Bend	trans	-109.4	138.3	173.6	179.3	0	0	0	0	108.9	N32 W34 H69 R70 H80 R83	N32-V72 HydrophobicContact CB-CB 3.81Å; N32-V72 HydrophobicContact CB-CG1 3.93Å; N32-V72 WeakPolarHBondContact CB-O 3.48Å; N32-V72 PolarHBondContact ND2-O 2.91Å; W34-V72 HydrophobicContact CH2-CB 4.15Å; W34-V72 HydrophobicContact CH2-CG1 3.97Å; W34-V72 HydrophobicContact CH2-CG2 3.9Å; W34-V72 HydrophobicContact CZ3-CB 4.46Å; W34-V72 HydrophobicContact CZ3-CG2 4.44Å; H69-V72 HydrophobicContact CB-CB 4.46Å; H69-V72 HydrophobicContact CB-CG2 4.16Å; H69-V72 PolarHBondContact O-N 3.46Å; R70-V72 VanDerWaalsContact C-N 3.25Å; R70-V72 PolarHBondContact O-N 3.06Å; V72-H80 HydrophobicContact CG1-CB 3.98Å; V72-H80 HydrophobicContact CG2-CB 4.48Å; V72-R83 HydrophobicContact CG2-CG 4.2Å
73	T	89.5	Confident	92.1	Very high	94 Å²	94	79.3 Å²	79.3	58%	0.577	39%	0.385	S	S	*	.			trans	-63.9	137.7	-180	50.3	0	0	0	0	110.9	N32 R75	N32-T73 WeakPolarHBondContact CB-O 3.42Å; T73-R75 PolarHBondContact O-N 2.74Å
74	K	88.1	Confident	92.1	Very high	157 Å²	157	78.9 Å²	78.9	68%	0.683	38%	0.381	S	S	*	.	S	Bend	trans	-62.7	-26.2	-175.9	-172.3	177.7	179.2	-179.8	0	113.3	T31	T31-K74 WeakPolarHBondContact CA-O 3.04Å
75	R	88.1	Confident	91.9	Very high	199 Å²	199	78.2 Å²	78.2	75%	0.751	39%	0.385	S	S	*	.	S	Bend	trans	-138.6	125.4	176.8	-66.5	-175.6	176.7	178.9	-0.6	108.9	V29 F30 T73	V29-R75 HydrophobicContact CG1-CB 3.81Å; V29-R75 HydrophobicContact CG1-CG 3.98Å; F30-R75 CarbonylContact O-C 3.55Å; F30-R75 WeakPolarHBondContact O-CA 3.38Å; T73-R75 PolarHBondContact O-N 2.74Å
76	S	90	Very high	91.7	Very high	31 Å²	31	83.6 Å²	83.6	22%	0.217	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-141.7	145.5	178.7	178.8	0	0	0	0	110.2	V29 F30 S78	V29-S76 CarbonylContact C-O 3.59Å; V29-S76 WeakPolarHBondContact CA-O 3.49Å; F30-S76 PolarHBondContact N-O 2.8Å; F30-S76 PolarHBondContact O-N 2.63Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-S78 WeakPolarHBondContact CB-O 3Å; S76-S78 PolarHBondContact OG-N 2.83Å; S76-S78 VanDerWaalsContact OG-N 3.15Å; S76-S78 PolarHBondContact OG-O 2.84Å
77	L	88.5	Confident	91.5	Very high	114 Å²	114	80.8 Å²	80.8	60%	0.597	39%	0.392	S	S	*	.	S	Bend	trans	-83	-10	173.4	-60.2	176.2	0	0	0	112.5	Q27 V29	Q27-L77 HydrophobicContact CB-CD2 4.27Å; V29-L77 HydrophobicContact CG2-CD2 4.47Å
78	S	88.7	Confident	91.3	Very high	72 Å²	72	86.3 Å²	86.3	50%	0.503	42%	0.418	S	S	.	.	S	Bend	trans	-124.9	146.7	177.6	60.6	0	0	0	0	112	F30 S76	F30-S78 VanDerWaalsContact CD2-C 3.49Å; S76-S78 VanDerWaalsContact C-N 3.29Å; S76-S78 WeakPolarHBondContact CB-O 3Å; S76-S78 PolarHBondContact OG-N 2.83Å; S76-S78 VanDerWaalsContact OG-N 3.15Å; S76-S78 PolarHBondContact OG-O 2.84Å
79	P	91	Very high	91.2	Very high	54 Å²	54	91.4 Å²	91.4	35%	0.351	44%	0.438	S	S	.	.			trans	-70.4	144.9	177	28.6	-33.4	0	0	0	111.1	F30 R81 Q98	F30-P79 HydrophobicContact CD1-CB 3.93Å; F30-P79 HydrophobicContact CE1-CB 3.75Å; F30-P79 HydrophobicContact CE1-CG 4.4Å; F30-P79 HydrophobicContact CE2-CB 4.36Å; F30-P79 HydrophobicContact CE2-CG 4.43Å; F30-P79 HydrophobicContact CG-CB 4.32Å; F30-P79 HydrophobicContact CZ-CB 3.97Å; F30-P79 HydrophobicContact CZ-CG 4.15Å; P79-R81 VanDerWaalsContact C-N 3.34Å; P79-R81 PolarHBondContact O-N 3.39Å; P79-Q98 VanDerWaalsContact CA-OE1 3.3Å
80	H	93.2	Very high	91.2	Very high	57 Å²	57	91.9 Å²	91.9	26%	0.264	44%	0.44	S	S	.	.			trans	-84.4	75.5	-178.3	-167.2	-63.8	0	0	0	111.3	W34 V72 P82 R83 H84	W34-H80 HydrophobicContact CH2-CB 4.26Å; W34-H80 HydrophobicContact CZ2-CB 4.13Å; V72-H80 HydrophobicContact CG1-CB 3.98Å; V72-H80 HydrophobicContact CG2-CB 4.48Å; H80-P82 VanDerWaalsContact C-CD 3.5Å; H80-R83 WeakPolarHBondContact CE1-CG 3.35Å; H80-R83 WeakPolarHBondContact ND1-CB 3.37Å; H80-R83 WeakPolarHBondContact ND1-CG 3.45Å; H80-R83 PolarHBondContact ND1-N 2.97Å; H80-R83 PolarHBondContact O-N 3.4Å; H80-H84 PolarHBondContact O-N 2.04Å
81	R	91.1	Very high	91.2	Very high	192 Å²	192	87.3 Å²	87.3	73%	0.725	44%	0.438	S	S	*	.	H	α-helix	trans	-50.5	-46.4	-175.6	-62.7	-172.2	178.6	-160.3	0	114.7	P79 R83 H84 S85	P79-R81 VanDerWaalsContact C-N 3.34Å; P79-R81 PolarHBondContact O-N 3.39Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.16Å; R81-H84 PolarHBondContact O-N 3.39Å; R81-S85 PolarHBondContact O-N 3.34Å; R81-S85 PolarHBondContact O-OG 2.88Å
82	P	92.1	Very high	91.5	Very high	78 Å²	78	88.2 Å²	88.2	51%	0.506	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-35.6	-174.1	-25.5	34.4	0	0	0	114.4	H80 R86	H80-P82 VanDerWaalsContact C-CD 3.5Å; P82-R86 VanDerWaalsContact O-CG 3.24Å; P82-R86 WeakPolarHBondContact O-CG 3.42Å; P82-R86 PolarHBondContact O-N 2.88Å
83	R	90.8	Very high	91.6	Very high	64 Å²	64	88.6 Å²	88.6	24%	0.242	43%	0.428	C	S	.	.	H	α-helix	trans	-82.3	-39	179.2	-69.9	-73.3	174.8	177.9	1.6	111.2	W34 H52 F54 H69 V72 H80 R81 R86 L87	W34-R83 HydrophobicContact CZ2-CB 4.33Å; H52-R83 PolarHBondContact O-NH1 2.88Å; F54-R83 HydrophobicContact CZ-CB 4.04Å; H69-R83 PolarHBondContact NE2-NE 3.17Å; H69-R83 PolarHBondContact NE2-NH1 2.91Å; V72-R83 HydrophobicContact CG2-CG 4.2Å; H80-R83 WeakPolarHBondContact CE1-CG 3.35Å; H80-R83 WeakPolarHBondContact ND1-CB 3.37Å; H80-R83 WeakPolarHBondContact ND1-CG 3.45Å; H80-R83 PolarHBondContact ND1-N 2.97Å; H80-R83 PolarHBondContact O-N 3.4Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.16Å; R83-R86 PolarHBondContact O-N 3.27Å; R83-L87 PolarHBondContact O-N 2.97Å; R83-L87 VanDerWaalsContact O-N 3.16Å
84	H	92.9	Very high	91.8	Very high	47 Å²	47	89.7 Å²	89.7	22%	0.218	43%	0.427	C	S	.	.	H	α-helix	trans	-58.6	-51.1	174.5	-168.7	99.5	0	0	0	111.1	W34 H80 R81 R86 L87 Q88 L96	W34-H84 AromaticContact CD1-ND1 3.83Å; W34-H84 AromaticContact NE1-ND1 3.43Å; W34-H84 PolarHBondContact NE1-ND1 3.23Å; H80-H84 PolarHBondContact O-N 2.04Å; R81-H84 PolarHBondContact O-N 3.39Å; H84-R86 PolarHBondContact O-N 2.67Å; H84-L87 PolarHBondContact O-N 2.92Å; H84-Q88 WeakPolarHBondContact O-CB 3.1Å; H84-Q88 PolarHBondContact O-N 2.83Å; H84-L96 WeakPolarHBondContact O-CD1 3.26Å
85	S	92.7	Very high	92.2	Very high	47 Å²	47	86.9 Å²	86.9	33%	0.329	41%	0.412	S	S	.	.	H	α-helix	trans	-68.4	-17.2	178.6	-54.5	0	0	0	0	114.4	R81 R89	R81-S85 PolarHBondContact O-N 3.34Å; R81-S85 PolarHBondContact O-OG 2.88Å; S85-R89 WeakPolarHBondContact O-CG 3.33Å; S85-R89 PolarHBondContact O-NE 2.77Å
86	R	92.6	Very high	92.6	Very high	114 Å²	114	78.3 Å²	78.3	43%	0.43	38%	0.381	S	S	.	.	H	α-helix	trans	-77.6	-47.2	172.5	-78.9	176.4	-167.1	-172.2	2.4	111.2	P82 R83 H84 Q88 R89	P82-R86 VanDerWaalsContact O-CG 3.24Å; P82-R86 WeakPolarHBondContact O-CG 3.42Å; P82-R86 PolarHBondContact O-N 2.88Å; R83-R86 PolarHBondContact O-N 3.27Å; H84-R86 PolarHBondContact O-N 2.67Å; R86-Q88 VanDerWaalsContact C-N 3.33Å; R86-R89 PolarHBondContact O-N 2.86Å
87	L	92.6	Very high	92.8	Very high	0 Å²	0	81.7 Å²	81.7	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-38.4	175.1	-77.6	175.7	0	0	0	111.9	V36 V48 H52 F54 F67 R83 H84 R89 E90 V93 L96	V36-L87 HydrophobicContact CG2-CD1 4.46Å; V48-L87 HydrophobicContact CG1-CD2 4.12Å; H52-L87 HydrophobicContact CB-CD2 3.99Å; F54-L87 HydrophobicContact CD1-CD1 4.36Å; F54-L87 HydrophobicContact CD2-CD1 4.07Å; F54-L87 HydrophobicContact CD2-CD2 4.17Å; F54-L87 HydrophobicContact CD2-CG 4.26Å; F54-L87 HydrophobicContact CE1-CD1 3.81Å; F54-L87 HydrophobicContact CE2-CD1 3.5Å; F54-L87 HydrophobicContact CE2-CD2 4.08Å; F54-L87 HydrophobicContact CE2-CG 3.68Å; F54-L87 HydrophobicContact CG-CD1 4.46Å; F54-L87 HydrophobicContact CZ-CD1 3.34Å; F54-L87 HydrophobicContact CZ-CG 4Å; F67-L87 HydrophobicContact CD2-CD1 4.22Å; F67-L87 HydrophobicContact CD2-CD2 4.24Å; F67-L87 HydrophobicContact CE2-CD2 4.19Å; R83-L87 PolarHBondContact O-N 2.97Å; R83-L87 VanDerWaalsContact O-N 3.16Å; H84-L87 PolarHBondContact O-N 2.92Å; L87-R89 PolarHBondContact O-N 2.83Å; L87-E90 WeakPolarHBondContact O-CB 3.31Å; L87-E90 PolarHBondContact O-N 3.17Å; L87-E90 VanDerWaalsContact O-N 3.11Å; L87-V93 WeakPolarHBondContact O-CB 3.38Å; L87-V93 WeakPolarHBondContact O-CG2 3.32Å; L87-L96 HydrophobicContact CB-CD1 3.65Å; L87-L96 HydrophobicContact CD1-CD1 4.43Å
88	Q	93.8	Very high	93.2	Very high	117 Å²	117	76.6 Å²	76.6	55%	0.547	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.4	178.3	-166.5	173.1	15.8	0	0	113.9	H84 R86 E90 L96	H84-Q88 WeakPolarHBondContact O-CB 3.1Å; H84-Q88 PolarHBondContact O-N 2.83Å; R86-Q88 VanDerWaalsContact C-N 3.33Å; Q88-E90 VanDerWaalsContact C-N 3.33Å; Q88-L96 HydrophobicContact CB-CD1 4.46Å; Q88-L96 HydrophobicContact CB-CD2 3.68Å; Q88-L96 HydrophobicContact CG-CD2 3.81Å
89	R	93.7	Very high	93.5	Very high	186 Å²	186	76.2 Å²	76.2	70%	0.702	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.1	179.3	-77.5	-176.4	-77.8	-172.6	-2.3	113.5	S85 R86 L87	S85-R89 WeakPolarHBondContact O-CG 3.33Å; S85-R89 PolarHBondContact O-NE 2.77Å; R86-R89 PolarHBondContact O-N 2.86Å; L87-R89 PolarHBondContact O-N 2.83Å
90	E	94.6	Very high	93.6	Very high	21 Å²	21	75.1 Å²	75.1	10%	0.098	35%	0.349	C	S	.	.			trans	-77.2	127.7	175.4	-71.4	-63.8	147.3	0	0	110.4	V48 K51 H52 L87 Q88 Q92 V93	V48-E90 HydrophobicContact CG1-CB 4.49Å; V48-E90 HydrophobicContact CG1-CG 4.23Å; K51-E90 VanDerWaalsContact CE-OE1 3.28Å; K51-E90 WeakPolarHBondContact CE-OE1 3.49Å; K51-E90 IonicContact NZ-OE1 3.59Å; K51-E90 PolarHBondContact NZ-OE1 2.03Å; K51-E90 IonicContact NZ-OE2 2.75Å; K51-E90 PolarHBondContact NZ-OE2 3.3Å; H52-E90 IonicContact CD2-OE1 2.89Å; H52-E90 IonicContact CE1-OE1 3.67Å; H52-E90 PolarHBondContact CE1-OE1 3.05Å; H52-E90 WeakPolarHBondContact NE2-CG 3Å; H52-E90 IonicContact NE2-OE1 3.82Å; H52-E90 PolarHBondContact NE2-OE1 2.88Å; L87-E90 WeakPolarHBondContact O-CB 3.31Å; L87-E90 PolarHBondContact O-N 3.17Å; L87-E90 VanDerWaalsContact O-N 3.11Å; Q88-E90 VanDerWaalsContact C-N 3.33Å; E90-Q92 PolarHBondContact O-N 2.88Å; E90-Q92 VanDerWaalsContact O-N 3.09Å; E90-V93 HydrophobicContact CB-CB 4.26Å; E90-V93 HydrophobicContact CB-CG2 3.79Å; E90-V93 PolarHBondContact O-N 3.12Å
91	P	92.8	Very high	93.3	Very high	120 Å²	120	74.9 Å²	74.9	78%	0.779	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.4	-177	25.8	-34.3	0	0	0	112.8
92	Q	92.8	Very high	92.9	Very high	82 Å²	82	73.7 Å²	73.7	38%	0.383	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-13.8	178.6	-64.6	171.9	-35.1	0	0	112.6	I38 P39 V44 V48 E90	I38-Q92 WeakPolarHBondContact CA-O 3.48Å; I38-Q92 HydrophobicContact CG2-CB 4.16Å; P39-Q92 WeakPolarHBondContact CD-O 3.31Å; V44-Q92 HydrophobicContact CG1-CB 4.3Å; V44-Q92 VanDerWaalsContact CG1-CD 3.47Å; V44-Q92 HydrophobicContact CG1-CG 4.18Å; V48-Q92 HydrophobicContact CG2-CB 4.15Å; E90-Q92 PolarHBondContact O-N 2.88Å; E90-Q92 VanDerWaalsContact O-N 3.09Å
93	V	94.4	Very high	91.9	Very high	14 Å²	14	81.2 Å²	81.2	9%	0.085	38%	0.375	C	S	.	.			trans	-93.7	105.4	-179.9	175.3	0	0	0	0	109.2	V36 I38 V48 L87 E90 L96	V36-V93 HydrophobicContact CG1-CB 4.29Å; V36-V93 HydrophobicContact CG1-CG1 3.55Å; V36-V93 HydrophobicContact CG1-CG2 3.85Å; I38-V93 HydrophobicContact CD1-CG2 4.02Å; I38-V93 HydrophobicContact CG1-CG2 3.98Å; V48-V93 HydrophobicContact CG1-CG2 4.01Å; L87-V93 WeakPolarHBondContact O-CB 3.38Å; L87-V93 WeakPolarHBondContact O-CG2 3.32Å; E90-V93 HydrophobicContact CB-CB 4.26Å; E90-V93 HydrophobicContact CB-CG2 3.79Å; E90-V93 PolarHBondContact O-N 3.12Å; V93-L96 HydrophobicContact CG1-CB 4.16Å; V93-L96 HydrophobicContact CG1-CD2 3.95Å
94	Q	93.9	Very high	90.6	Very high	118 Å²	118	88.9 Å²	88.9	55%	0.551	40%	0.404	S	S	*	.	S	Bend	trans	-82.3	-30	177.7	-71.9	-171	-13	0	0	112.7	R37 P39	R37-Q94 PolarHBondContact O-N 2.7Å; P39-Q94 HydrophobicContact CG-CG 3.78Å
95	W	95.9	Very high	88.7	Confident	98 Å²	98	92.1 Å²	92.1	37%	0.371	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.1	-179.1	177.3	90.2	0	0	0	109.8	A35 V36 R37 Y64 E97	A35-W95 HydrophobicContact CB-CH2 4.11Å; A35-W95 HydrophobicContact CB-CZ3 3.71Å; A35-W95 WeakPolarHBondContact O-CZ3 3.41Å; V36-W95 CarbonylContact C-O 3.57Å; V36-W95 WeakPolarHBondContact CA-O 3.49Å; R37-W95 HydrophobicContact CB-CB 3.91Å; R37-W95 HydrophobicContact CB-CE3 4.44Å; R37-W95 PolarHBondContact N-O 2.88Å; Y64-W95 HydrophobicContact CD1-CE3 4.02Å; Y64-W95 HydrophobicContact CD1-CZ3 4Å; Y64-W95 HydrophobicContact CE1-CD2 4.36Å; Y64-W95 AromaticContact CE1-CE3 3.69Å; Y64-W95 HydrophobicContact CE1-CE3 3.69Å; Y64-W95 AromaticContact CE1-CZ3 3.92Å; Y64-W95 HydrophobicContact CE1-CZ3 3.92Å; W95-E97 HydrophobicContact CH2-CB 3.41Å; W95-E97 VanDerWaalsContact CH2-CB 3.41Å; W95-E97 HydrophobicContact CZ2-CB 3.41Å; W95-E97 VanDerWaalsContact CZ2-CB 3.41Å; W95-E97 HydrophobicContact CZ2-CG 4.39Å; W95-E97 VanDerWaalsContact CZ2-OE2 3.28Å; W95-E97 WeakPolarHBondContact CZ2-OE2 3.44Å; W95-E97 HydrophobicContact CZ3-CB 4.21Å
96	L	95.6	Very high	86.4	Confident	18 Å²	18	98 Å²	98	9%	0.094	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	148.5	170.9	71.9	158.6	0	0	0	111.3	A35 V36 H84 L87 Q88 V93	A35-L96 CarbonylContact O-C 3.53Å; A35-L96 VanDerWaalsContact O-CA 3.27Å; A35-L96 WeakPolarHBondContact O-CA 3.31Å; V36-L96 HydrophobicContact CG1-CB 4.15Å; V36-L96 HydrophobicContact CG2-CB 4.2Å; H84-L96 WeakPolarHBondContact O-CD1 3.26Å; L87-L96 HydrophobicContact CB-CD1 3.65Å; L87-L96 HydrophobicContact CD1-CD1 4.43Å; Q88-L96 HydrophobicContact CB-CD1 4.46Å; Q88-L96 HydrophobicContact CB-CD2 3.68Å; Q88-L96 HydrophobicContact CG-CD2 3.81Å; V93-L96 HydrophobicContact CG1-CB 4.16Å; V93-L96 HydrophobicContact CG1-CD2 3.95Å
97	E	95.3	Very high	84.5	Confident	102 Å²	102	103.8 Å²	103.8	48%	0.477	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130	171.8	-171.8	173.9	-174.6	0	0	110.4	W34 A35 W95 Q99	W34-E97 CarbonylContact C-O 3.58Å; W34-E97 VanDerWaalsContact CA-O 3.25Å; W34-E97 WeakPolarHBondContact CA-O 3.35Å; A35-E97 PolarHBondContact N-O 3.37Å; A35-E97 PolarHBondContact O-N 3.34Å; W95-E97 HydrophobicContact CH2-CB 3.41Å; W95-E97 VanDerWaalsContact CH2-CB 3.41Å; W95-E97 HydrophobicContact CZ2-CB 3.41Å; W95-E97 VanDerWaalsContact CZ2-CB 3.41Å; W95-E97 HydrophobicContact CZ2-CG 4.39Å; W95-E97 VanDerWaalsContact CZ2-OE2 3.28Å; W95-E97 WeakPolarHBondContact CZ2-OE2 3.44Å; W95-E97 HydrophobicContact CZ3-CB 4.21Å; E97-Q99 PolarHBondContact O-N 2.87Å; E97-Q99 PolarHBondContact O-NE2 3.06Å
98	Q	96	Very high	82.3	Confident	8 Å²	8	109.8 Å²	109.8	4%	0.037	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.7	170.9	-172.2	176.9	5.8	0	0	108.8	F30 T31 W34 P79 V100	F30-Q98 HydrophobicContact CD1-CB 4.49Å; F30-Q98 HydrophobicContact CD1-CG 4.36Å; T31-Q98 WeakPolarHBondContact O-CG 3.4Å; T31-Q98 PolarHBondContact O-NE2 3.47Å; W34-Q98 HydrophobicContact CD2-CB 4.33Å; W34-Q98 HydrophobicContact CD2-CG 4.12Å; W34-Q98 HydrophobicContact CG-CB 4.38Å; W34-Q98 HydrophobicContact CH2-CG 4.28Å; W34-Q98 HydrophobicContact CZ2-CB 4.27Å; W34-Q98 HydrophobicContact CZ2-CG 3.76Å; P79-Q98 VanDerWaalsContact CA-OE1 3.3Å; Q98-V100 PolarHBondContact O-N 2.98Å
99	Q	95.4	Very high	80.6	Confident	63 Å²	63	110.5 Å²	110.5	29%	0.294	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.9	-173.1	-59.6	-57.3	-72.3	0	0	110.8	T31 T33 E97	T31-Q99 WeakPolarHBondContact CB-O 3.24Å; T31-Q99 WeakPolarHBondContact CG2-O 3.46Å; T31-Q99 PolarHBondContact N-O 3.35Å; T31-Q99 WeakPolarHBondContact OG1-CB 3.05Å; T31-Q99 PolarHBondContact OG1-O 3Å; T33-Q99 PolarHBondContact O-N 2.68Å; T33-Q99 WeakPolarHBondContact OG1-CB 3.09Å; E97-Q99 PolarHBondContact O-N 2.87Å; E97-Q99 PolarHBondContact O-NE2 3.06Å
100	V	92.8	Very high	79.7	Confident	31 Å²	31	105 Å²	105	19%	0.188	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.3	176.5	179.7	0	0	0	0	108.5	K28 V29 F30 Q98 K102	K28-V100 HydrophobicContact CB-CG1 3.81Å; K28-V100 HydrophobicContact CG-CG1 4.25Å; V29-V100 CarbonylContact O-C 3.52Å; V29-V100 WeakPolarHBondContact O-CA 3.31Å; V29-V100 WeakPolarHBondContact O-CG1 3.34Å; F30-V100 HydrophobicContact CD1-CG2 3.66Å; F30-V100 HydrophobicContact CE1-CG2 3.69Å; F30-V100 HydrophobicContact CG-CG2 4.36Å; F30-V100 HydrophobicContact CZ-CG2 4.42Å; Q98-V100 PolarHBondContact O-N 2.98Å; V100-K102 PolarHBondContact O-N 2.94Å
101	A	87.8	Confident	79.1	Confident	53 Å²	53	111.5 Å²	111.5	44%	0.438	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-61.9	120.3	175.6	0	0	0	0	0	109.6	V29 T31	V29-A101 HydrophobicContact CB-CB 4.31Å; V29-A101 PolarHBondContact O-N 2.84Å; T31-A101 HydrophobicContact CG2-CB 4.25Å
102	K	82.4	Confident	78.8	Confident	166 Å²	166	110.4 Å²	110.4	72%	0.722	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-89.8	130.1	173	-61.3	-68.5	-175.4	172.1	0	108.7	V100	V100-K102 PolarHBondContact O-N 2.94Å
103	R	72.1	Confident	78.9	Confident	237 Å²	237	107 Å²	107	89%	0.894	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-80.7	122	168.7	-168	175.5	-179.4	179.2	-1.8	107.8
104	R	63	Low	79	Confident	225 Å²	225	111.2 Å²	111.2	85%	0.849	51%	0.513	S	S	*	.			trans	-126.3	126.6	174.1	-67.7	-179.2	175.6	149	-2.9	107.6
105	T	51.7	Low	79.2	Confident	114 Å²	114	105.8 Å²	105.8	70%	0.699	49%	0.488	S	S	*	.			trans	-99.9	147	169.2	40.5	0	0	0	0	108.9
106	K	45.4	Very low	79.3	Confident	170 Å²	170	104.5 Å²	104.5	74%	0.739	49%	0.492	S	S	*	.			trans	-67.8	134	173.8	-160.8	178.7	-179.3	-169.7	0	107.7	D108	K106-D108 VanDerWaalsContact C-N 3.32Å; K106-D108 PolarHBondContact O-N 3.46Å
107	R	51.7	Low	79.4	Confident	236 Å²	236	106.6 Å²	106.6	89%	0.891	50%	0.501	S	S	*	.	S	Bend	trans	-84.7	2.4	-169.9	-67.8	-177.2	-166	168.3	2.6	114.7
108	D	46.3	Very low	79.5	Confident	127 Å²	127	102.1 Å²	102.1	68%	0.679	48%	0.479	S	S	*	.			trans	-123.7	33.6	-159.9	-42.4	-44.5	0	0	0	114.2	K106	K106-D108 VanDerWaalsContact C-N 3.32Å; K106-D108 PolarHBondContact O-N 3.46Å
109	L	58.9	Low	79.5	Confident	131 Å²	131	106 Å²	106	69%	0.686	51%	0.506	S	S	*	.			trans	-129.5	108.1	171.3	-89.2	148.9	0	0	0	108	Q111	L109-Q111 PolarHBondContact O-N 2.95Å
110	Y	74.1	Confident	79.5	Confident	70 Å²	70	106 Å²	106	28%	0.275	51%	0.506	S	S	.	.			trans	-47.7	125.4	163.4	163.4	-101.2	0	0	0	108.3	E112 W138 A139	Y110-E112 HydrophobicContact CE1-CG 3.86Å; Y110-W138 HydrophobicContact CD2-CB 4.09Å; Y110-W138 HydrophobicContact CE2-CB 3.55Å; Y110-W138 HydrophobicContact CE2-CE3 4.29Å; Y110-W138 HydrophobicContact CE2-CG 4.42Å; Y110-W138 VanDerWaalsContact OH-CE3 3.24Å; Y110-A139 HydrophobicContact CD1-CB 4.22Å; Y110-A139 HydrophobicContact CG-CB 4.37Å
111	Q	82.6	Confident	79.7	Confident	158 Å²	158	104.6 Å²	104.6	74%	0.738	50%	0.497	S	S	*	.			trans	-109.9	132.7	171.2	-67.8	-171.6	0.4	0	0	106.8	L109	L109-Q111 PolarHBondContact O-N 2.95Å
112	E	87.6	Confident	80.1	Confident	98 Å²	98	102.6 Å²	102.6	46%	0.458	48%	0.478	S	S	.	.			trans	-58.6	147.4	175.6	-64.4	-174.2	176.5	0	0	110.7	Y110 F118 K135	Y110-E112 HydrophobicContact CE1-CG 3.86Å; E112-F118 HydrophobicContact CB-CE1 4.16Å; E112-K135 VanDerWaalsContact CD-CE 3.44Å; E112-K135 VanDerWaalsContact OE1-CE 3.29Å; E112-K135 WeakPolarHBondContact OE1-CE 3.49Å; E112-K135 IonicContact OE1-NZ 2.76Å; E112-K135 PolarHBondContact OE1-NZ 3.39Å; E112-K135 IonicContact OE2-NZ 2.66Å; E112-K135 PolarHBondContact OE2-NZ 2.99Å
113	P	94.1	Very high	80.8	Confident	11 Å²	11	94.7 Å²	94.7	7%	0.071	44%	0.444	C	S	.	.			trans	-52.3	144.1	175.6	-27	33.9	0	0	0	113.3	F118 W138 N207 V213	P113-F118 HydrophobicContact CB-CD1 4.18Å; P113-F118 HydrophobicContact CB-CD2 4.19Å; P113-F118 HydrophobicContact CB-CE1 4.46Å; P113-F118 HydrophobicContact CB-CE2 4.46Å; P113-F118 HydrophobicContact CB-CG 4.04Å; P113-F118 HydrophobicContact CG-CD2 4.27Å; P113-F118 HydrophobicContact CG-CE1 4.39Å; P113-F118 HydrophobicContact CG-CE2 4.07Å; P113-F118 HydrophobicContact CG-CZ 4.13Å; P113-F118 WeakPolarHBondContact O-CD1 3.4Å; P113-W138 HydrophobicContact CG-CH2 4.49Å; P113-W138 HydrophobicContact CG-CZ3 4.13Å; P113-N207 WeakPolarHBondContact CA-OD1 3.27Å; P113-V213 HydrophobicContact CB-CG1 3.57Å; P113-V213 HydrophobicContact CG-CG1 4.03Å; P113-V213 HydrophobicContact CG-CG2 4.23Å
114	T	96.3	Very high	81.9	Confident	102 Å²	102	83.5 Å²	83.5	63%	0.626	40%	0.401	S	S	*	.			trans	-100.4	5.1	-174.2	53	0	0	0	0	113.5	N207	T114-N207 PolarHBondContact N-OD1 3.12Å; T114-N207 PolarHBondContact OG1-OD1 3.26Å
115	D	98	Very high	82.9	Confident	3 Å²	3	74 Å²	74	2%	0.016	37%	0.37	C	S	.	.			trans	-69.2	143	-172.3	-54.3	-74.8	0	0	0	112.3	K117 F118 N207 N208 G209 V213	D115-K117 PolarHBondContact O-N 3.4Å; D115-K117 VanDerWaalsContact O-N 3.11Å; D115-F118 HydrophobicContact CB-CB 4.45Å; D115-F118 WeakPolarHBondContact O-CB 3.35Å; D115-F118 PolarHBondContact O-N 2.99Å; D115-F118 VanDerWaalsContact O-N 3.11Å; D115-N207 VanDerWaalsContact CG-N 3.28Å; D115-N207 WeakPolarHBondContact OD1-CA 3.49Å; D115-N207 PolarHBondContact OD1-N 3.39Å; D115-N207 PolarHBondContact OD2-N 2.98Å; D115-N208 PolarHBondContact OD1-N 3.36Å; D115-N208 PolarHBondContact OD1-OD1 3.23Å; D115-G209 PolarHBondContact OD1-N 3.13Å; D115-V213 HydrophobicContact CB-CG1 4.11Å; D115-V213 WeakPolarHBondContact OD2-CG1 3.5Å
116	P	97.9	Very high	84	Confident	72 Å²	72	69.6 Å²	69.6	47%	0.468	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.5	-165.4	24	-34.5	0	0	0	114.6	Q120 C211	P116-Q120 PolarHBondContact O-OE1 2.86Å; P116-C211 WeakPolarHBondContact CD-O 3.38Å; P116-C211 WeakPolarHBondContact CG-O 3.47Å
117	K	97.9	Very high	85.1	Confident	62 Å²	62	68.8 Å²	68.8	27%	0.27	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-0.3	178.9	-56.5	-68.3	-173	172.6	0	114.4	D115 P119 Q120 Q121 C211 V352 E362	D115-K117 PolarHBondContact O-N 3.4Å; D115-K117 VanDerWaalsContact O-N 3.11Å; K117-P119 VanDerWaalsContact C-CD 3.44Å; K117-P119 VanDerWaalsContact C-N 3.32Å; K117-Q120 VanDerWaalsContact C-OE1 3.31Å; K117-Q120 WeakPolarHBondContact O-CB 3.35Å; K117-Q120 PolarHBondContact O-N 2.9Å; K117-Q120 PolarHBondContact O-OE1 2.94Å; K117-Q121 PolarHBondContact O-N 2.84Å; K117-C211 WeakPolarHBondContact CA-O 3.46Å; K117-C211 WeakPolarHBondContact CB-O 3.12Å; K117-C211 PolarHBondContact N-O 2.94Å; K117-V352 HydrophobicContact CB-CG1 3.84Å; K117-E362 WeakPolarHBondContact CE-OE1 3.44Å; K117-E362 IonicContact NZ-OE1 3.35Å; K117-E362 PolarHBondContact NZ-OE1 3.04Å
118	F	97.4	Very high	86.1	Confident	7 Å²	7	61.9 Å²	61.9	3%	0.031	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-54.8	-40.4	174.4	179.8	-114	0	0	0	113.1	E112 P113 D115 Q120 Q121 L124 W138 V213	E112-F118 HydrophobicContact CB-CE1 4.16Å; P113-F118 HydrophobicContact CB-CD1 4.18Å; P113-F118 HydrophobicContact CB-CD2 4.19Å; P113-F118 HydrophobicContact CB-CE1 4.46Å; P113-F118 HydrophobicContact CB-CE2 4.46Å; P113-F118 HydrophobicContact CB-CG 4.04Å; P113-F118 HydrophobicContact CG-CD2 4.27Å; P113-F118 HydrophobicContact CG-CE1 4.39Å; P113-F118 HydrophobicContact CG-CE2 4.07Å; P113-F118 HydrophobicContact CG-CZ 4.13Å; P113-F118 WeakPolarHBondContact O-CD1 3.4Å; D115-F118 HydrophobicContact CB-CB 4.45Å; D115-F118 WeakPolarHBondContact O-CB 3.35Å; D115-F118 PolarHBondContact O-N 2.99Å; D115-F118 VanDerWaalsContact O-N 3.11Å; F118-Q120 PolarHBondContact O-N 2.88Å; F118-Q120 VanDerWaalsContact O-N 3.15Å; F118-Q121 WeakPolarHBondContact O-CB 3.4Å; F118-Q121 PolarHBondContact O-N 2.86Å; F118-Q121 VanDerWaalsContact O-N 3.07Å; F118-L124 HydrophobicContact CE2-CB 4.34Å; F118-W138 AromaticContact CE2-CH2 3.95Å; F118-W138 HydrophobicContact CE2-CH2 3.95Å; F118-W138 AromaticContact CE2-CZ3 3.78Å; F118-W138 HydrophobicContact CE2-CZ3 3.78Å; F118-W138 AromaticContact CZ-CZ3 3.93Å; F118-W138 HydrophobicContact CZ-CZ3 3.93Å; F118-V213 HydrophobicContact CD2-CG2 3.65Å; F118-V213 HydrophobicContact CE2-CG2 3.93Å
119	P	95.4	Very high	87.7	Confident	90 Å²	90	63.4 Å²	63.4	58%	0.584	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.3	175.2	-24.1	35.6	0	0	0	114.8	K117	K117-P119 VanDerWaalsContact C-CD 3.44Å; K117-P119 VanDerWaalsContact C-N 3.32Å
120	Q	96.3	Very high	89.2	Confident	63 Å²	63	60.7 Å²	60.7	29%	0.294	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-87	-19.3	177.9	-68.5	75.7	2.8	0	0	112	P116 K117 F118 W122 V352	P116-Q120 PolarHBondContact O-OE1 2.86Å; K117-Q120 VanDerWaalsContact C-OE1 3.31Å; K117-Q120 WeakPolarHBondContact O-CB 3.35Å; K117-Q120 PolarHBondContact O-N 2.9Å; K117-Q120 PolarHBondContact O-OE1 2.94Å; F118-Q120 PolarHBondContact O-N 2.88Å; F118-Q120 VanDerWaalsContact O-N 3.15Å; Q120-W122 PolarHBondContact O-N 3.02Å; Q120-V352 HydrophobicContact CB-CG2 3.95Å
121	Q	97.6	Very high	90.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.318	C	S	.	.			trans	-74.3	65.7	172.9	-67.2	-178.4	-69.4	0	0	111.5	K117 F118 Y123 L124 S125 V213 V352	K117-Q121 PolarHBondContact O-N 2.84Å; F118-Q121 WeakPolarHBondContact O-CB 3.4Å; F118-Q121 PolarHBondContact O-N 2.86Å; F118-Q121 VanDerWaalsContact O-N 3.07Å; Q121-Y123 HydrophobicContact CB-CE1 4.21Å; Q121-Y123 HydrophobicContact CB-CE2 4.43Å; Q121-Y123 HydrophobicContact CG-CE1 4.35Å; Q121-Y123 PolarHBondContact NE2-OH 3.38Å; Q121-Y123 PolarHBondContact O-N 2.73Å; Q121-Y123 VanDerWaalsContact O-N 3.08Å; Q121-L124 HydrophobicContact CB-CB 4.47Å; Q121-L124 HydrophobicContact CB-CD1 4.04Å; Q121-L124 HydrophobicContact CB-CG 4.21Å; Q121-L124 HydrophobicContact CG-CD1 4.47Å; Q121-L124 PolarHBondContact O-N 2.85Å; Q121-S125 PolarHBondContact O-N 2.93Å; Q121-V213 PolarHBondContact NE2-O 3.29Å; Q121-V352 HydrophobicContact CG-CB 3.84Å; Q121-V352 HydrophobicContact CG-CG1 4.16Å; Q121-V352 PolarHBondContact NE2-O 3.4Å
122	W	96.2	Very high	90.9	Very high	12 Å²	12	51.3 Å²	51.3	5%	0.045	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.6	-175.4	63	-86.6	0	0	0	113.7	Q120 Q322 Y341 K349 Q350	Q120-W122 PolarHBondContact O-N 3.02Å; W122-Q322 HydrophobicContact CD2-CG 4.1Å; W122-Q322 HydrophobicContact CE3-CB 4.39Å; W122-Q322 HydrophobicContact CE3-CG 3.82Å; W122-Q322 HydrophobicContact CH2-CB 3.66Å; W122-Q322 HydrophobicContact CH2-CG 4.02Å; W122-Q322 HydrophobicContact CZ2-CB 3.93Å; W122-Q322 HydrophobicContact CZ2-CG 4.31Å; W122-Q322 HydrophobicContact CZ3-CB 3.94Å; W122-Q322 HydrophobicContact CZ3-CG 3.79Å; W122-Y341 VanDerWaalsContact CH2-CB 3.45Å; W122-Y341 AromaticContact CH2-CD1 3.49Å; W122-Y341 HydrophobicContact CH2-CD1 3.49Å; W122-Y341 VanDerWaalsContact CH2-CD1 3.49Å; W122-Y341 HydrophobicContact CH2-CD2 4.23Å; W122-Y341 HydrophobicContact CH2-CE1 4.29Å; W122-Y341 AromaticContact CH2-CG 3.45Å; W122-Y341 HydrophobicContact CH2-CG 3.45Å; W122-Y341 VanDerWaalsContact CH2-CG 3.45Å; W122-Y341 AromaticContact CZ3-CD1 3.6Å; W122-Y341 HydrophobicContact CZ3-CD1 3.6Å; W122-Y341 AromaticContact CZ3-CD2 3.81Å; W122-Y341 HydrophobicContact CZ3-CD2 3.81Å; W122-Y341 HydrophobicContact CZ3-CE1 4.02Å; W122-Y341 HydrophobicContact CZ3-CE2 4.2Å; W122-Y341 AromaticContact CZ3-CG 3.48Å; W122-Y341 HydrophobicContact CZ3-CG 3.48Å; W122-Y341 VanDerWaalsContact CZ3-CG 3.48Å; W122-K349 HydrophobicContact CB-CD 4.02Å; W122-K349 HydrophobicContact CD2-CB 4.46Å; W122-K349 HydrophobicContact CG-CB 4.1Å; W122-K349 HydrophobicContact CG-CD 3.88Å; W122-K349 VanDerWaalsContact NE1-CB 3.3Å; W122-Q350 PolarHBondContact NE1-O 2.83Å
123	Y	96.9	Very high	91.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.3	179.6	53.7	-93.8	0	0	0	113.8	Q121 D131 L132 I351 V352 L373	Q121-Y123 HydrophobicContact CB-CE1 4.21Å; Q121-Y123 HydrophobicContact CB-CE2 4.43Å; Q121-Y123 HydrophobicContact CG-CE1 4.35Å; Q121-Y123 PolarHBondContact NE2-OH 3.38Å; Q121-Y123 PolarHBondContact O-N 2.73Å; Q121-Y123 VanDerWaalsContact O-N 3.08Å; Y123-D131 WeakPolarHBondContact O-CB 3.41Å; Y123-L132 WeakPolarHBondContact O-CG 3.17Å; Y123-L132 PolarHBondContact O-N 2.91Å; Y123-I351 HydrophobicContact CD1-CD1 3.48Å; Y123-I351 VanDerWaalsContact CD1-CD1 3.48Å; Y123-I351 HydrophobicContact CE1-CB 4.45Å; Y123-I351 HydrophobicContact CE1-CD1 3.54Å; Y123-I351 HydrophobicContact CE1-CG2 4.27Å; Y123-I351 HydrophobicContact CG-CD1 4.07Å; Y123-V352 PolarHBondContact OH-O 2.87Å; Y123-L373 HydrophobicContact CD2-CD1 3.99Å; Y123-L373 HydrophobicContact CD2-CD2 3.82Å; Y123-L373 HydrophobicContact CE2-CD1 4.28Å; Y123-L373 HydrophobicContact CE2-CD2 3.49Å; Y123-L373 VanDerWaalsContact CE2-CD2 3.49Å; Y123-L373 HydrophobicContact CG-CD1 4.44Å
124	L	94.9	Very high	91.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-30	172.9	-56.4	-179.1	0	0	0	112.2	F118 Q121 V134 W138 V213 V215	F118-L124 HydrophobicContact CE2-CB 4.34Å; Q121-L124 HydrophobicContact CB-CB 4.47Å; Q121-L124 HydrophobicContact CB-CD1 4.04Å; Q121-L124 HydrophobicContact CB-CG 4.21Å; Q121-L124 HydrophobicContact CG-CD1 4.47Å; Q121-L124 PolarHBondContact O-N 2.85Å; L124-V134 HydrophobicContact CD2-CB 4.38Å; L124-V134 HydrophobicContact CD2-CG2 4.02Å; L124-W138 HydrophobicContact CB-CH2 4.42Å; L124-W138 HydrophobicContact CD1-CH2 4.11Å; L124-V213 HydrophobicContact CD1-CG2 3.91Å; L124-V215 HydrophobicContact CD2-CG2 3.64Å
125	S	84.1	Confident	91.5	Very high	26 Å²	26	46.1 Å²	46.1	18%	0.182	25%	0.252	C	S	.	.	S	Bend	trans	-149.6	86.3	-166.4	171.5	0	0	0	0	110.9	Q121 K135	Q121-S125 PolarHBondContact O-N 2.93Å; S125-K135 VanDerWaalsContact CB-CE 3.4Å; S125-K135 WeakPolarHBondContact OG-CE 3.43Å; S125-K135 PolarHBondContact OG-NZ 2.85Å
126	G	73.4	Confident	91.3	Very high	22 Å²	22	50.5 Å²	50.5	23%	0.227	27%	0.273	C	S	.	.			trans	-111.8	133.1	174.1	0	0	0	0	0	112.1	T128 D131	G126-T128 PolarHBondContact O-N 3.1Å; G126-T128 VanDerWaalsContact O-N 3.14Å; G126-D131 WeakPolarHBondContact CA-OD2 3.44Å; G126-D131 PolarHBondContact N-OD2 3.45Å; G126-D131 VanDerWaalsContact O-OD2 3.12Å
127	V	68.8	Low	91.2	Very high	152 Å²	152	47.1 Å²	47.1	92%	0.921	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-1.8	165.8	-64.7	0	0	0	0	112.7
128	T	74.4	Confident	91.2	Very high	91 Å²	91	44.4 Å²	44.4	56%	0.558	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	9.4	-169.5	52.7	0	0	0	0	114.2	G126 R130	G126-T128 PolarHBondContact O-N 3.1Å; G126-T128 VanDerWaalsContact O-N 3.14Å; T128-R130 PolarHBondContact O-N 3.38Å; T128-R130 VanDerWaalsContact O-N 3.15Å
129	Q	79.9	Confident	91	Very high	159 Å²	159	46.6 Å²	46.6	74%	0.743	26%	0.258	S	S	*	.	S	Bend	trans	54	29.7	-175.7	-58.3	-179.8	-18.8	0	0	113.4	H405	Q129-H405 PolarHBondContact O-ND1 2.81Å
130	R	89.9	Confident	91	Very high	75 Å²	75	45.6 Å²	45.6	28%	0.283	25%	0.246	S	C	.	.			trans	-128.5	65.5	179.9	-70.7	179.7	179.8	-96.9	-0.5	108.2	T128 F323 Y341 H405	T128-R130 PolarHBondContact O-N 3.38Å; T128-R130 VanDerWaalsContact O-N 3.15Å; R130-F323 PolarHBondContact NH1-O 3.41Å; R130-Y341 WeakPolarHBondContact CA-OH 3.33Å; R130-H405 PolarHBondContact NH1-O 3.15Å; R130-H405 VanDerWaalsContact NH1-O 3.15Å
131	D	94.8	Very high	90.9	Very high	30 Å²	30	45 Å²	45	16%	0.16	26%	0.256	C	S	.	.	S	Bend	trans	-145.5	176.9	177.3	56.7	50.7	0	0	0	108.5	Y123 G126 N133	Y123-D131 WeakPolarHBondContact O-CB 3.41Å; G126-D131 WeakPolarHBondContact CA-OD2 3.44Å; G126-D131 PolarHBondContact N-OD2 3.45Å; G126-D131 VanDerWaalsContact O-OD2 3.12Å; D131-N133 PolarHBondContact O-N 3.01Å; D131-N133 WeakPolarHBondContact OD1-CA 3.47Å; D131-N133 PolarHBondContact OD1-N 2.86Å
132	L	97.9	Very high	91	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.			trans	-83.8	11.8	-177.7	-62.7	170.1	0	0	0	112.8	Y123 V134 T340 Y341 L373 I377 L428 A431	Y123-L132 WeakPolarHBondContact O-CG 3.17Å; Y123-L132 PolarHBondContact O-N 2.91Å; L132-V134 HydrophobicContact CB-CG2 3.77Å; L132-V134 PolarHBondContact O-N 2.88Å; L132-V134 VanDerWaalsContact O-N 3.15Å; L132-T340 HydrophobicContact CD1-CG2 4.45Å; L132-T340 HydrophobicContact CD2-CG2 4.01Å; L132-Y341 HydrophobicContact CD2-CD2 4.08Å; L132-Y341 HydrophobicContact CG-CD2 4.08Å; L132-L373 HydrophobicContact CD1-CB 4.07Å; L132-L373 HydrophobicContact CD1-CD1 4.09Å; L132-I377 HydrophobicContact CB-CD1 4Å; L132-I377 HydrophobicContact CD1-CD1 4.17Å; L132-I377 HydrophobicContact CD2-CD1 4.38Å; L132-I377 HydrophobicContact CG-CD1 4.4Å; L132-L428 HydrophobicContact CD2-CD1 4.04Å; L132-L428 HydrophobicContact CD2-CD2 4.25Å; L132-L428 HydrophobicContact CD2-CG 3.94Å; L132-A431 WeakPolarHBondContact O-CB 3.42Å; L132-A431 PolarHBondContact O-N 3.42Å
133	N	96.9	Very high	91	Very high	56 Å²	56	47.2 Å²	47.2	30%	0.299	27%	0.267	S	S	.	.			trans	53.2	33.3	-179.2	-164	31.1	0	0	0	114.2	D131 E136 D430 G432	D131-N133 PolarHBondContact O-N 3.01Å; D131-N133 WeakPolarHBondContact OD1-CA 3.47Å; D131-N133 PolarHBondContact OD1-N 2.86Å; N133-E136 PolarHBondContact O-N 3.13Å; N133-E136 WeakPolarHBondContact OD1-CB 3.31Å; N133-D430 WeakPolarHBondContact CB-OD1 3.38Å; N133-D430 PolarHBondContact ND2-OD1 2.97Å; N133-G432 PolarHBondContact O-N 2.97Å
134	V	97.6	Very high	91.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	-33.2	-174.1	177.7	0	0	0	0	112	L124 L132 E136 A137 W138 V215 I377 L380 A431	L124-V134 HydrophobicContact CD2-CB 4.38Å; L124-V134 HydrophobicContact CD2-CG2 4.02Å; L132-V134 HydrophobicContact CB-CG2 3.77Å; L132-V134 PolarHBondContact O-N 2.88Å; L132-V134 VanDerWaalsContact O-N 3.15Å; V134-E136 PolarHBondContact O-N 3.42Å; V134-A137 WeakPolarHBondContact O-CB 3.25Å; V134-A137 PolarHBondContact O-N 3.02Å; V134-A137 VanDerWaalsContact O-N 3.09Å; V134-W138 HydrophobicContact CG1-CD2 3.77Å; V134-W138 HydrophobicContact CG1-CE3 4.29Å; V134-W138 HydrophobicContact CG1-CG 4.32Å; V134-W138 HydrophobicContact CG1-CH2 4.01Å; V134-W138 HydrophobicContact CG1-CZ2 3.4Å; V134-W138 HydrophobicContact CG1-CZ3 4.41Å; V134-W138 PolarHBondContact O-N 3.36Å; V134-V215 HydrophobicContact CG1-CG1 3.99Å; V134-V215 HydrophobicContact CG2-CG1 4.06Å; V134-I377 HydrophobicContact CG2-CG1 4.44Å; V134-L380 HydrophobicContact CG1-CD1 4.01Å; V134-A431 HydrophobicContact CB-CB 4.42Å; V134-A431 HydrophobicContact CG2-CB 3.94Å
135	K	94.9	Very high	91.3	Very high	47 Å²	47	53 Å²	53	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-33.2	175.7	-75.4	-173.1	173.2	175.1	0	113.2	E112 S125 W138 A139	E112-K135 VanDerWaalsContact CD-CE 3.44Å; E112-K135 VanDerWaalsContact OE1-CE 3.29Å; E112-K135 WeakPolarHBondContact OE1-CE 3.49Å; E112-K135 IonicContact OE1-NZ 2.76Å; E112-K135 PolarHBondContact OE1-NZ 3.39Å; E112-K135 IonicContact OE2-NZ 2.66Å; E112-K135 PolarHBondContact OE2-NZ 2.99Å; S125-K135 VanDerWaalsContact CB-CE 3.4Å; S125-K135 WeakPolarHBondContact OG-CE 3.43Å; S125-K135 PolarHBondContact OG-NZ 2.85Å; K135-W138 HydrophobicContact CG-CE3 4.08Å; K135-W138 HydrophobicContact CG-CZ3 4.29Å; K135-W138 PolarHBondContact O-N 2.99Å; K135-A139 VanDerWaalsContact O-CB 3.23Å; K135-A139 WeakPolarHBondContact O-CB 3.36Å; K135-A139 PolarHBondContact O-N 3.47Å
136	E	94.3	Very high	91.9	Very high	95 Å²	95	52.8 Å²	52.8	44%	0.444	30%	0.295	S	S	.	.	H	α-helix	trans	-68	-39.4	178.2	-173.6	58	-151.1	0	0	111.1	N133 V134 A139 Q140	N133-E136 PolarHBondContact O-N 3.13Å; N133-E136 WeakPolarHBondContact OD1-CB 3.31Å; V134-E136 PolarHBondContact O-N 3.42Å; E136-A139 PolarHBondContact O-N 2.95Å; E136-Q140 WeakPolarHBondContact O-CG 3.45Å; E136-Q140 PolarHBondContact O-N 3.47Å; E136-Q140 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-NE2 2.85Å
137	A	96.8	Very high	93.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-43.6	172.7	0	0	0	0	0	111.9	V134 A139 Q140 G141 Y142 L380 A431 V435	V134-A137 WeakPolarHBondContact O-CB 3.25Å; V134-A137 PolarHBondContact O-N 3.02Å; V134-A137 VanDerWaalsContact O-N 3.09Å; A137-A139 PolarHBondContact O-N 3.38Å; A137-Q140 WeakPolarHBondContact O-CB 3.14Å; A137-Q140 PolarHBondContact O-N 2.96Å; A137-G141 PolarHBondContact O-N 3.33Å; A137-Y142 PolarHBondContact O-N 3.47Å; A137-Y142 VanDerWaalsContact O-N 3.15Å; A137-L380 HydrophobicContact CB-CD1 3.9Å; A137-A431 HydrophobicContact CB-CB 4.19Å; A137-V435 HydrophobicContact CB-CB 4.44Å; A137-V435 HydrophobicContact CB-CG2 4Å
138	W	97	Very high	94.6	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-38.6	176.1	-63.9	-19.5	0	0	0	112.7	Y110 P113 F118 L124 V134 K135 Q140 G141 Y142 V213 V215 Y217	Y110-W138 HydrophobicContact CD2-CB 4.09Å; Y110-W138 HydrophobicContact CE2-CB 3.55Å; Y110-W138 HydrophobicContact CE2-CE3 4.29Å; Y110-W138 HydrophobicContact CE2-CG 4.42Å; Y110-W138 VanDerWaalsContact OH-CE3 3.24Å; P113-W138 HydrophobicContact CG-CH2 4.49Å; P113-W138 HydrophobicContact CG-CZ3 4.13Å; F118-W138 AromaticContact CE2-CH2 3.95Å; F118-W138 HydrophobicContact CE2-CH2 3.95Å; F118-W138 AromaticContact CE2-CZ3 3.78Å; F118-W138 HydrophobicContact CE2-CZ3 3.78Å; F118-W138 AromaticContact CZ-CZ3 3.93Å; F118-W138 HydrophobicContact CZ-CZ3 3.93Å; L124-W138 HydrophobicContact CB-CH2 4.42Å; L124-W138 HydrophobicContact CD1-CH2 4.11Å; V134-W138 HydrophobicContact CG1-CD2 3.77Å; V134-W138 HydrophobicContact CG1-CE3 4.29Å; V134-W138 HydrophobicContact CG1-CG 4.32Å; V134-W138 HydrophobicContact CG1-CH2 4.01Å; V134-W138 HydrophobicContact CG1-CZ2 3.4Å; V134-W138 HydrophobicContact CG1-CZ3 4.41Å; V134-W138 PolarHBondContact O-N 3.36Å; K135-W138 HydrophobicContact CG-CE3 4.08Å; K135-W138 HydrophobicContact CG-CZ3 4.29Å; K135-W138 PolarHBondContact O-N 2.99Å; W138-Q140 VanDerWaalsContact C-N 3.27Å; W138-Q140 PolarHBondContact O-N 3.44Å; W138-G141 WeakPolarHBondContact O-CA 3.33Å; W138-G141 PolarHBondContact O-N 3.11Å; W138-Y142 WeakPolarHBondContact CA-O 3.4Å; W138-Y142 VanDerWaalsContact CD1-O 3.26Å; W138-V213 HydrophobicContact CH2-CG2 3.71Å; W138-V213 HydrophobicContact CZ2-CG2 4.28Å; W138-V215 WeakPolarHBondContact CZ2-O 3.39Å; W138-V215 PolarHBondContact NE1-O 2.58Å; W138-Y217 AromaticContact CD1-CE1 3.84Å; W138-Y217 HydrophobicContact CD2-CD1 4.45Å; W138-Y217 AromaticContact CD2-CE1 3.71Å; W138-Y217 HydrophobicContact CD2-CE1 3.71Å; W138-Y217 AromaticContact CE2-CD1 3.71Å; W138-Y217 AromaticContact CE2-CE1 3.39Å; W138-Y217 HydrophobicContact CE3-CE1 4.39Å; W138-Y217 AromaticContact CG-CE1 3.94Å; W138-Y217 HydrophobicContact CG-CE1 3.94Å; W138-Y217 HydrophobicContact CH2-CD1 4.47Å; W138-Y217 HydrophobicContact CH2-CE1 4.46Å; W138-Y217 AromaticContact CZ2-CD1 3.72Å; W138-Y217 HydrophobicContact CZ2-CD1 3.72Å; W138-Y217 AromaticContact CZ2-CE1 3.81Å; W138-Y217 HydrophobicContact CZ2-CE1 3.81Å; W138-Y217 AromaticContact NE1-CD1 3.83Å; W138-Y217 AromaticContact NE1-CE1 3.5Å
139	A	93.7	Very high	95.7	Very high	54 Å²	54	40.2 Å²	40.2	45%	0.446	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-29.6	176.2	0	0	0	0	0	112.4	Y110 K135 E136 A137 G141	Y110-A139 HydrophobicContact CD1-CB 4.22Å; Y110-A139 HydrophobicContact CG-CB 4.37Å; K135-A139 VanDerWaalsContact O-CB 3.23Å; K135-A139 WeakPolarHBondContact O-CB 3.36Å; K135-A139 PolarHBondContact O-N 3.47Å; E136-A139 PolarHBondContact O-N 2.95Å; A137-A139 PolarHBondContact O-N 3.38Å; A139-G141 PolarHBondContact O-N 3Å
140	Q	94.3	Very high	96.7	Very high	69 Å²	69	32.6 Å²	32.6	32%	0.322	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8	169.8	-70.8	176.2	64	0	0	113.4	E136 A137 W138 Y142	E136-Q140 WeakPolarHBondContact O-CG 3.45Å; E136-Q140 PolarHBondContact O-N 3.47Å; E136-Q140 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-NE2 2.85Å; A137-Q140 WeakPolarHBondContact O-CB 3.14Å; A137-Q140 PolarHBondContact O-N 2.96Å; W138-Q140 VanDerWaalsContact C-N 3.27Å; W138-Q140 PolarHBondContact O-N 3.44Å; Q140-Y142 HydrophobicContact CB-CD2 3.75Å; Q140-Y142 HydrophobicContact CB-CE2 3.88Å
141	G	95.6	Very high	97.1	Very high	50 Å²	50	29.3 Å²	29.3	52%	0.515	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	6.5	175.2	0	0	0	0	0	115.3	A137 W138 A139	A137-G141 PolarHBondContact O-N 3.33Å; W138-G141 WeakPolarHBondContact O-CA 3.33Å; W138-G141 PolarHBondContact O-N 3.11Å; A139-G141 PolarHBondContact O-N 3Å
142	Y	97.9	Very high	97.3	Very high	42 Å²	42	27.9 Å²	27.9	17%	0.165	16%	0.159	C	C	.	.			trans	-95.7	124.5	179.4	-57	-77	0	0	0	110	A137 W138 Q140 E383 A384 V435 Q439	A137-Y142 PolarHBondContact O-N 3.47Å; A137-Y142 VanDerWaalsContact O-N 3.15Å; W138-Y142 WeakPolarHBondContact CA-O 3.4Å; W138-Y142 VanDerWaalsContact CD1-O 3.26Å; Q140-Y142 HydrophobicContact CB-CD2 3.75Å; Q140-Y142 HydrophobicContact CB-CE2 3.88Å; Y142-E383 WeakPolarHBondContact CA-OE2 3.38Å; Y142-E383 HydrophobicContact CD1-CB 4.24Å; Y142-E383 HydrophobicContact CD1-CG 4Å; Y142-A384 HydrophobicContact CD1-CB 3.89Å; Y142-A384 HydrophobicContact CE1-CB 3.64Å; Y142-A384 HydrophobicContact CE2-CB 4.33Å; Y142-A384 HydrophobicContact CG-CB 4.36Å; Y142-V435 HydrophobicContact CD2-CG1 3.16Å; Y142-V435 HydrophobicContact CE2-CG1 3.35Å; Y142-V435 HydrophobicContact CG-CG1 3.85Å; Y142-Q439 VanDerWaalsContact OH-CD 3.29Å; Y142-Q439 PolarHBondContact OH-OE1 3.19Å
143	T	98.3	Very high	97.3	Very high	17 Å²	17	28 Å²	28	10%	0.104	16%	0.16	C	C	.	.	S	Bend	trans	-137.5	5.2	-171.4	55.9	0	0	0	0	112.8	A216 Y217 N218 E383	T143-A216 CarbonylContact O-C 3.59Å; T143-A216 VanDerWaalsContact O-CA 3.26Å; T143-A216 WeakPolarHBondContact O-CA 3.16Å; T143-Y217 HydrophobicContact CG2-CE1 4.12Å; T143-Y217 HydrophobicContact CG2-CE2 3.7Å; T143-Y217 WeakPolarHBondContact CG2-OH 3.45Å; T143-Y217 PolarHBondContact O-N 3.13Å; T143-N218 PolarHBondContact O-N 3.01Å; T143-N218 PolarHBondContact OG1-OD1 3.45Å; T143-E383 PolarHBondContact N-OE2 3.28Å
144	G	98.5	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.			trans	96.2	7	-177.2	0	0	0	0	0	114.4	G146 I147 A219 L380 E383	G144-G146 PolarHBondContact O-N 2.87Å; G144-I147 WeakPolarHBondContact O-CB 3.35Å; G144-I147 PolarHBondContact O-N 2.85Å; G144-A219 WeakPolarHBondContact O-CA 3.43Å; G144-A219 WeakPolarHBondContact O-CB 3.24Å; G144-A219 PolarHBondContact O-N 3.08Å; G144-L380 VanDerWaalsContact N-CD2 3.35Å; G144-E383 WeakPolarHBondContact CA-OE2 3.28Å; G144-E383 PolarHBondContact N-OE2 2.93Å
145	H	98.5	Very high	97.3	Very high	124 Å²	124	25.9 Å²	25.9	57%	0.574	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	125.7	-167.9	-173.5	84.8	0	0	0	113.1	I147 N218 E383	H145-I147 PolarHBondContact O-N 2.99Å; H145-N218 HydrophobicContact CB-CB 4.37Å; H145-E383 VanDerWaalsContact CB-OE1 3.3Å; H145-E383 WeakPolarHBondContact CB-OE1 3.06Å; H145-E383 PolarHBondContact N-OE1 3.35Å; H145-E383 PolarHBondContact N-OE2 3.03Å; H145-E383 VanDerWaalsContact N-OE2 3.12Å
146	G	97.3	Very high	97.5	Very high	21 Å²	21	23.7 Å²	23.7	22%	0.216	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	5	179.1	0	0	0	0	0	114.7	G144	G144-G146 PolarHBondContact O-N 2.87Å
147	I	98.9	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.			trans	-91.8	149.8	167.9	-53.3	-54.4	0	0	0	109.3	G144 H145 R220 H248 I249 A379 L382 E383 K386	G144-I147 WeakPolarHBondContact O-CB 3.35Å; G144-I147 PolarHBondContact O-N 2.85Å; H145-I147 PolarHBondContact O-N 2.99Å; I147-R220 PolarHBondContact O-N 2.93Å; I147-H248 HydrophobicContact CG2-CB 4.09Å; I147-I249 HydrophobicContact CG2-CD1 3.99Å; I147-A379 HydrophobicContact CB-CB 4.32Å; I147-A379 WeakPolarHBondContact CG1-O 3.49Å; I147-A379 HydrophobicContact CG2-CB 3.85Å; I147-L382 HydrophobicContact CD1-CB 3.77Å; I147-L382 HydrophobicContact CG1-CB 4.1Å; I147-L382 HydrophobicContact CG2-CB 4.44Å; I147-L382 HydrophobicContact CG2-CD1 4.35Å; I147-E383 HydrophobicContact CG1-CB 4.15Å; I147-K386 HydrophobicContact CD1-CD 4.46Å; I147-K386 HydrophobicContact CD1-CG 4.33Å
148	V	98.9	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.1	-176.8	-175.7	0	0	0	0	108.9	A171 R220 H246 I247 H248 I249	V148-A171 HydrophobicContact CG1-CB 3.43Å; V148-A171 VanDerWaalsContact CG1-CB 3.43Å; V148-R220 WeakPolarHBondContact CA-O 3.48Å; V148-R220 HydrophobicContact CG2-CB 4.14Å; V148-H246 WeakPolarHBondContact CB-O 3.5Å; V148-I247 HydrophobicContact CG1-CG1 4.39Å; V148-H248 WeakPolarHBondContact CB-ND1 3.28Å; V148-H248 PolarHBondContact N-ND1 3.11Å; V148-H248 WeakPolarHBondContact O-CB 3.44Å; V148-H248 PolarHBondContact O-N 2.87Å; V148-I249 PolarHBondContact O-N 2.86Å
149	V	98.9	Very high	97.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.5	177.6	-171.7	0	0	0	0	109.3	V202 R220 I221 G222 I249 A375 A379	V149-V202 HydrophobicContact CB-CG1 3.92Å; V149-V202 HydrophobicContact CG1-CG1 3.96Å; V149-V202 HydrophobicContact CG1-CG2 4.4Å; V149-V202 HydrophobicContact CG2-CG1 3.83Å; V149-R220 PolarHBondContact N-O 3.4Å; V149-I221 HydrophobicContact CB-CD1 3.87Å; V149-I221 HydrophobicContact CG1-CD1 4.13Å; V149-I221 WeakPolarHBondContact O-CA 3.46Å; V149-G222 PolarHBondContact O-N 3.06Å; V149-I249 CarbonylContact C-O 3.57Å; V149-I249 WeakPolarHBondContact CA-O 3.21Å; V149-I249 HydrophobicContact CG1-CB 4.2Å; V149-I249 HydrophobicContact CG1-CG2 4.22Å; V149-I249 HydrophobicContact CG2-CB 4.2Å; V149-I249 HydrophobicContact CG2-CD1 4.06Å; V149-A375 HydrophobicContact CG1-CB 4.33Å; V149-A379 HydrophobicContact CG2-CB 4.03Å
150	S	98.9	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.2	174.3	-178.2	0	0	0	0	110.9	A171 I249 Y250 S251	S150-A171 PolarHBondContact OG-O 2.59Å; S150-I249 PolarHBondContact N-O 2.94Å; S150-Y250 WeakPolarHBondContact O-CA 3.25Å; S150-S251 PolarHBondContact O-N 3.14Å
151	I	98.9	Very high	98.3	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.9	174.2	-54.1	-54.4	0	0	0	108.9	D153 C198 A199 V202 I221 G222 G223 V224	I151-D153 HydrophobicContact CG2-CB 3.79Å; I151-C198 HydrophobicContact CD1-CB 4.31Å; I151-C198 HydrophobicContact CG2-CB 3.94Å; I151-A199 HydrophobicContact CG1-CB 4.03Å; I151-V202 HydrophobicContact CD1-CG2 4.04Å; I151-I221 HydrophobicContact CD1-CD1 4.17Å; I151-I221 HydrophobicContact CG1-CD1 4.01Å; I151-G222 PolarHBondContact N-O 3Å; I151-G223 CarbonylContact O-C 3.51Å; I151-G223 VanDerWaalsContact O-CA 3.29Å; I151-G223 WeakPolarHBondContact O-CA 3.47Å; I151-V224 PolarHBondContact O-N 3.26Å
152	L	98.7	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	97.3	178	-55.2	-174.6	0	0	0	109.2	V224 L240 Y250 S251 A252 W254	L152-V224 HydrophobicContact CD2-CB 3.52Å; L152-V224 HydrophobicContact CD2-CG1 4.3Å; L152-V224 HydrophobicContact CD2-CG2 3.36Å; L152-L240 HydrophobicContact CD1-CD2 3.9Å; L152-Y250 HydrophobicContact CD1-CD1 4.07Å; L152-Y250 HydrophobicContact CD2-CD1 4.09Å; L152-Y250 HydrophobicContact CG-CD1 4.29Å; L152-S251 PolarHBondContact N-O 3.03Å; L152-A252 HydrophobicContact CB-CB 4.34Å; L152-W254 HydrophobicContact CD1-CZ2 4.47Å; L152-W254 PolarHBondContact O-NE1 3.39Å
153	D	98.4	Very high	98.5	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-146.6	-165.4	-153.2	-90.9	0	0	0	113.5	I151 G155 H194 G195 V224 M226 L227	I151-D153 HydrophobicContact CG2-CB 3.79Å; D153-G155 VanDerWaalsContact C-N 3.3Å; D153-G155 PolarHBondContact O-N 2.94Å; D153-H194 WeakPolarHBondContact OD1-CB 3.39Å; D153-H194 IonicContact OD1-CG 3.25Å; D153-H194 IonicContact OD1-ND1 3.84Å; D153-H194 PolarHBondContact OD1-ND1 3.49Å; D153-H194 IonicContact OD2-CE1 3.61Å; D153-H194 PolarHBondContact OD2-CE1 3.03Å; D153-H194 IonicContact OD2-CG 3.99Å; D153-H194 IonicContact OD2-ND1 2.71Å; D153-H194 PolarHBondContact OD2-ND1 2.86Å; D153-G195 WeakPolarHBondContact OD1-CA 3.45Å; D153-G195 PolarHBondContact OD1-N 3.17Å; D153-V224 CarbonylContact C-O 3.49Å; D153-V224 PolarHBondContact N-O 2.76Å; D153-V224 VanDerWaalsContact O-O 3.05Å; D153-M226 PolarHBondContact O-N 3.38Å; D153-L227 PolarHBondContact O-N 2.67Å; D153-L227 VanDerWaalsContact O-N 3.07Å
154	D	97.6	Very high	98.5	Very high	9 Å²	9	19.2 Å²	19.2	5%	0.048	11%	0.112	C	C	.	.	S	Bend	trans	-85.4	4.9	-178.5	66.5	14.8	0	0	0	114.7	N192 R193 H194 G195 L227	D154-N192 HydrophobicContact CB-CB 4.17Å; D154-N192 WeakPolarHBondContact OD2-CA 3.32Å; D154-R193 PolarHBondContact OD2-N 2.89Å; D154-R193 VanDerWaalsContact OD2-N 3.09Å; D154-H194 PolarHBondContact OD1-N 3.35Å; D154-H194 WeakPolarHBondContact OD2-CA 3.38Å; D154-H194 WeakPolarHBondContact OD2-CB 3.41Å; D154-H194 PolarHBondContact OD2-N 3.38Å; D154-G195 PolarHBondContact OD1-N 2.85Å; D154-L227 HydrophobicContact CB-CB 4.44Å
155	G	98.1	Very high	98.5	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	14%	0.144	C	C	.	.			trans	114.8	170.8	179.7	0	0	0	0	0	114	D153 P182 G195 T196	D153-G155 VanDerWaalsContact C-N 3.3Å; D153-G155 PolarHBondContact O-N 2.94Å; G155-P182 CarbonylContact C-O 3.57Å; G155-P182 VanDerWaalsContact CA-O 3.25Å; G155-P182 WeakPolarHBondContact CA-O 3.28Å; G155-G195 CarbonylContact O-C 3.57Å; G155-G195 WeakPolarHBondContact O-CA 3.45Å; G155-T196 PolarHBondContact O-N 3.39Å
156	I	98.7	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.122	C	C	.	.			trans	-129	127.7	-179.5	-175.6	176.3	0	0	0	110.6	K158 L163 Y167 P182 P184 A199 I221	I156-K158 PolarHBondContact O-N 3.29Å; I156-L163 HydrophobicContact CD1-CD1 4.3Å; I156-L163 HydrophobicContact CG1-CD1 4.07Å; I156-Y167 HydrophobicContact CD1-CD2 4.46Å; I156-Y167 HydrophobicContact CG2-CE2 4.19Å; I156-P182 HydrophobicContact CG2-CB 3.93Å; I156-P182 HydrophobicContact CG2-CG 3.4Å; I156-P182 PolarHBondContact N-O 3.33Å; I156-P184 WeakPolarHBondContact O-CD 3.36Å; I156-A199 HydrophobicContact CD1-CB 3.55Å; I156-A199 HydrophobicContact CG1-CB 3.98Å; I156-I221 HydrophobicContact CD1-CG1 4.28Å
157	E	98.8	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.12	C	C	.	.			trans	-72.5	78.1	172.3	-168.8	177.7	-91.2	0	0	109.8	N159 H160 P184 Y186 T196 L356 R357 Q358	E157-N159 WeakPolarHBondContact CG-OD1 3.43Å; E157-N159 PolarHBondContact O-N 2.96Å; E157-H160 HydrophobicContact CB-CB 4.31Å; E157-H160 HydrophobicContact CG-CB 4.22Å; E157-H160 WeakPolarHBondContact O-CB 3.33Å; E157-H160 PolarHBondContact O-N 3.1Å; E157-H160 IonicContact OE2-CD2 3.27Å; E157-H160 PolarHBondContact OE2-CD2 3.22Å; E157-H160 VanDerWaalsContact OE2-CD2 3.32Å; E157-H160 IonicContact OE2-CG 3.48Å; E157-P184 HydrophobicContact CB-CG 4.2Å; E157-Y186 WeakPolarHBondContact OE1-CE1 3.41Å; E157-Y186 PolarHBondContact OE1-OH 2.88Å; E157-T196 HydrophobicContact CB-CG2 3.76Å; E157-T196 PolarHBondContact N-OG1 2.96Å; E157-L356 HydrophobicContact CB-CD1 4.48Å; E157-R357 VanDerWaalsContact OE1-CA 3.28Å; E157-R357 WeakPolarHBondContact OE1-CA 3.44Å; E157-R357 PolarHBondContact OE1-N 3.19Å; E157-Q358 VanDerWaalsContact OE2-CA 3.31Å; E157-Q358 WeakPolarHBondContact OE2-CA 3.49Å; E157-Q358 VanDerWaalsContact OE2-CG 3.31Å; E157-Q358 WeakPolarHBondContact OE2-CG 2.71Å; E157-Q358 PolarHBondContact OE2-N 2.81Å
158	K	98.2	Very high	98.6	Very high	51 Å²	51	19.4 Å²	19.4	22%	0.222	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.9	-175.4	65.9	-178	-176.7	-65.9	0	114.6	I156 A164 Y167 D181	I156-K158 PolarHBondContact O-N 3.29Å; K158-A164 WeakPolarHBondContact O-CA 3.41Å; K158-Y167 HydrophobicContact CB-CD1 3.9Å; K158-Y167 HydrophobicContact CB-CD2 3.49Å; K158-Y167 VanDerWaalsContact CB-CD2 3.49Å; K158-Y167 HydrophobicContact CB-CE1 3.82Å; K158-Y167 HydrophobicContact CB-CE2 3.4Å; K158-Y167 VanDerWaalsContact CB-CE2 3.4Å; K158-Y167 HydrophobicContact CB-CG 3.74Å; K158-Y167 HydrophobicContact CD-CE1 3.9Å; K158-Y167 HydrophobicContact CD-CE2 4.44Å; K158-Y167 HydrophobicContact CG-CE1 4.42Å; K158-D181 VanDerWaalsContact CE-OD1 3.22Å; K158-D181 WeakPolarHBondContact CE-OD1 3.14Å; K158-D181 IonicContact NZ-OD1 3.39Å; K158-D181 PolarHBondContact NZ-OD1 2.87Å; K158-D181 IonicContact NZ-OD2 3.81Å; K158-D181 PolarHBondContact NZ-OD2 2.85Å
159	N	98.3	Very high	98.6	Very high	75 Å²	75	23.6 Å²	23.6	40%	0.401	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.7	177.8	67.7	-37	0	0	0	113.6	E157 Q183	E157-N159 WeakPolarHBondContact CG-OD1 3.43Å; E157-N159 PolarHBondContact O-N 2.96Å; N159-Q183 PolarHBondContact OD1-NE2 3.38Å
160	H	98.8	Very high	98.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	16%	0.162	C	C	.	.			trans	-58	132.3	171.3	-171.6	-76.8	0	0	0	109	E157 D162 L163 A164 T354 D355 Q358 K359	E157-H160 HydrophobicContact CB-CB 4.31Å; E157-H160 HydrophobicContact CG-CB 4.22Å; E157-H160 WeakPolarHBondContact O-CB 3.33Å; E157-H160 PolarHBondContact O-N 3.1Å; E157-H160 IonicContact OE2-CD2 3.27Å; E157-H160 PolarHBondContact OE2-CD2 3.22Å; E157-H160 VanDerWaalsContact OE2-CD2 3.32Å; E157-H160 IonicContact OE2-CG 3.48Å; H160-D162 VanDerWaalsContact ND1-CB 3.34Å; H160-D162 WeakPolarHBondContact ND1-CB 3.46Å; H160-D162 PolarHBondContact ND1-N 2.84Å; H160-D162 PolarHBondContact O-N 2.79Å; H160-L163 HydrophobicContact CB-CB 4.06Å; H160-L163 HydrophobicContact CB-CD1 3.93Å; H160-L163 HydrophobicContact CB-CG 3.98Å; H160-L163 PolarHBondContact O-N 2.91Å; H160-A164 WeakPolarHBondContact O-CB 3.23Å; H160-A164 PolarHBondContact O-N 3.05Å; H160-T354 WeakPolarHBondContact CE1-CG2 3.34Å; H160-D355 PolarHBondContact CD2-O 2.83Å; H160-Q358 VanDerWaalsContact CD2-CA 3.44Å; H160-Q358 WeakPolarHBondContact CD2-CA 3.38Å; H160-K359 PolarHBondContact NE2-N 2.81Å; H160-K359 PolarHBondContact NE2-O 3.16Å
161	P	98.6	Very high	98.5	Very high	59 Å²	59	24.7 Å²	24.7	38%	0.383	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28	-174.7	21	-33.7	0	0	0	113.3	V210 Q358	P161-V210 HydrophobicContact CB-CG1 4.3Å; P161-V210 HydrophobicContact CB-CG2 4.44Å; P161-V210 HydrophobicContact CG-CG1 4Å; P161-Q358 HydrophobicContact CG-CB 4.36Å
162	D	98.6	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.2	-179.1	-149.1	19.8	0	0	0	114.3	H160 A204 V205 N208 V210 C211 T354	H160-D162 VanDerWaalsContact ND1-CB 3.34Å; H160-D162 WeakPolarHBondContact ND1-CB 3.46Å; H160-D162 PolarHBondContact ND1-N 2.84Å; H160-D162 PolarHBondContact O-N 2.79Å; D162-A204 CarbonylContact O-C 3.56Å; D162-A204 VanDerWaalsContact O-CA 3.29Å; D162-A204 WeakPolarHBondContact O-CA 3.4Å; D162-A204 WeakPolarHBondContact OD2-CB 3.33Å; D162-V205 WeakPolarHBondContact O-CG2 3.34Å; D162-V205 PolarHBondContact O-N 3.45Å; D162-V205 PolarHBondContact OD1-N 3.34Å; D162-N208 PolarHBondContact OD1-ND2 3.06Å; D162-V210 HydrophobicContact CB-CB 4.46Å; D162-V210 HydrophobicContact CB-CG1 3.94Å; D162-C211 WeakPolarHBondContact OD2-CB 3.39Å; D162-T354 HydrophobicContact CB-CG2 3.66Å
163	L	98.9	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-32.3	176.4	-60.4	177.5	0	0	0	112.4	I156 H160 G165 N166 Y167 T196 A199 T354	I156-L163 HydrophobicContact CD1-CD1 4.3Å; I156-L163 HydrophobicContact CG1-CD1 4.07Å; H160-L163 HydrophobicContact CB-CB 4.06Å; H160-L163 HydrophobicContact CB-CD1 3.93Å; H160-L163 HydrophobicContact CB-CG 3.98Å; H160-L163 PolarHBondContact O-N 2.91Å; L163-G165 PolarHBondContact O-N 2.79Å; L163-N166 CarbonylContact O-C 3.56Å; L163-N166 PolarHBondContact O-N 2.86Å; L163-Y167 PolarHBondContact O-N 3.13Å; L163-T196 HydrophobicContact CD1-CG2 4.13Å; L163-A199 HydrophobicContact CD1-CB 4.07Å; L163-A199 HydrophobicContact CD2-CB 4.24Å; L163-T354 HydrophobicContact CD2-CG2 4.26Å; L163-T354 HydrophobicContact CG-CG2 4.25Å
164	A	98.6	Very high	98.6	Very high	53 Å²	53	26.3 Å²	26.3	44%	0.438	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.2	-172.3	0	0	0	0	0	114.2	K158 H160 N166	K158-A164 WeakPolarHBondContact O-CA 3.41Å; H160-A164 WeakPolarHBondContact O-CB 3.23Å; H160-A164 PolarHBondContact O-N 3.05Å; A164-N166 VanDerWaalsContact C-N 3.33Å
165	G	98.2	Very high	98.5	Very high	64 Å²	64	26.4 Å²	26.4	66%	0.66	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.3	176.5	0	0	0	0	0	114.3	L163	L163-G165 PolarHBondContact O-N 2.79Å
166	N	98.8	Very high	98.2	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.112	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-6.6	-178.3	-74.4	-18	0	0	0	113	L163 A164 D168 A203 V205 Y217 A219 R220 I221	L163-N166 CarbonylContact O-C 3.56Å; L163-N166 PolarHBondContact O-N 2.86Å; A164-N166 VanDerWaalsContact C-N 3.33Å; N166-D168 PolarHBondContact O-N 3.01Å; N166-A203 PolarHBondContact ND2-O 3.36Å; N166-V205 HydrophobicContact CB-CG2 4.34Å; N166-Y217 PolarHBondContact ND2-O 3.14Å; N166-A219 WeakPolarHBondContact CB-O 3.36Å; N166-R220 CarbonylContact O-C 3.59Å; N166-R220 VanDerWaalsContact O-CA 3.31Å; N166-R220 WeakPolarHBondContact O-CA 3.33Å; N166-I221 HydrophobicContact CB-CG2 4.14Å; N166-I221 PolarHBondContact O-N 2.94Å
167	Y	98.9	Very high	98.1	Very high	49 Å²	49	32.8 Å²	32.8	19%	0.192	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-59.8	134.3	-178	175.1	-105	0	0	0	112.3	I156 K158 L163 P169 S172 P182 I221	I156-Y167 HydrophobicContact CD1-CD2 4.46Å; I156-Y167 HydrophobicContact CG2-CE2 4.19Å; K158-Y167 HydrophobicContact CB-CD1 3.9Å; K158-Y167 HydrophobicContact CB-CD2 3.49Å; K158-Y167 VanDerWaalsContact CB-CD2 3.49Å; K158-Y167 HydrophobicContact CB-CE1 3.82Å; K158-Y167 HydrophobicContact CB-CE2 3.4Å; K158-Y167 VanDerWaalsContact CB-CE2 3.4Å; K158-Y167 HydrophobicContact CB-CG 3.74Å; K158-Y167 HydrophobicContact CD-CE1 3.9Å; K158-Y167 HydrophobicContact CD-CE2 4.44Å; K158-Y167 HydrophobicContact CG-CE1 4.42Å; L163-Y167 PolarHBondContact O-N 3.13Å; Y167-P169 HydrophobicContact CE1-CB 4.09Å; Y167-S172 VanDerWaalsContact CE2-OG 3.23Å; Y167-S172 WeakPolarHBondContact CE2-OG 3.38Å; Y167-S172 WeakPolarHBondContact OH-CB 3.26Å; Y167-S172 PolarHBondContact OH-OG 3.32Å; Y167-P182 HydrophobicContact CE2-CG 4.44Å; Y167-I221 CarbonylContact C-O 3.52Å; Y167-I221 VanDerWaalsContact CA-O 3.28Å; Y167-I221 WeakPolarHBondContact CA-O 3.47Å
168	D	98.8	Very high	97.9	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	24%	0.235	C	C	.	.			trans	-124.6	111.4	178	-171.9	-10.5	0	0	0	111.3	N166 G170 A171 S172 R220 I221 H246	N166-D168 PolarHBondContact O-N 3.01Å; D168-G170 PolarHBondContact O-N 2.82Å; D168-G170 WeakPolarHBondContact OD1-CA 3.4Å; D168-G170 PolarHBondContact OD1-N 3.08Å; D168-A171 HydrophobicContact CB-CB 4.08Å; D168-A171 PolarHBondContact O-N 2.71Å; D168-A171 VanDerWaalsContact O-N 3.09Å; D168-S172 PolarHBondContact O-OG 3.4Å; D168-R220 HydrophobicContact CB-CB 3.92Å; D168-R220 HydrophobicContact CB-CG 4.39Å; D168-R220 WeakPolarHBondContact OD2-CD 3.39Å; D168-R220 IonicContact OD2-CZ 3.81Å; D168-R220 IonicContact OD2-NE 2.74Å; D168-R220 IonicContact OD2-NH1 3.17Å; D168-R220 PolarHBondContact OD2-NH1 3.14Å; D168-I221 PolarHBondContact N-O 2.88Å; D168-H246 IonicContact OD1-CE1 3.13Å; D168-H246 IonicContact OD1-NE2 2.71Å; D168-H246 PolarHBondContact OD1-NE2 2.85Å; D168-H246 IonicContact OD2-CD2 3.29Å; D168-H246 IonicContact OD2-CE1 2.84Å; D168-H246 PolarHBondContact OD2-CE1 3.01Å; D168-H246 VanDerWaalsContact OD2-CE1 3.29Å; D168-H246 IonicContact OD2-NE2 2.71Å; D168-H246 PolarHBondContact OD2-NE2 3.2Å
169	P	98.6	Very high	97.8	Very high	87 Å²	87	39.8 Å²	39.8	57%	0.565	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.4	-24.5	176	27.7	-34.3	0	0	0	112.5	Y167 A171 S172	Y167-P169 HydrophobicContact CE1-CB 4.09Å; P169-A171 PolarHBondContact O-N 2.97Å; P169-S172 PolarHBondContact O-N 3.17Å
170	G	98.4	Very high	97.8	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-70	-15.8	174	0	0	0	0	0	113.3	D168 N243 H246	D168-G170 PolarHBondContact O-N 2.82Å; D168-G170 WeakPolarHBondContact OD1-CA 3.4Å; D168-G170 PolarHBondContact OD1-N 3.08Å; G170-N243 PolarHBondContact O-ND2 2.71Å; G170-H246 VanDerWaalsContact C-CD2 3.4Å; G170-H246 PolarHBondContact O-CD2 2.77Å
171	A	98.7	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-101.9	14.5	174.4	0	0	0	0	0	112.7	V148 S150 D168 P169 G222 G223 I247	V148-A171 HydrophobicContact CG1-CB 3.43Å; V148-A171 VanDerWaalsContact CG1-CB 3.43Å; S150-A171 PolarHBondContact OG-O 2.59Å; D168-A171 HydrophobicContact CB-CB 4.08Å; D168-A171 PolarHBondContact O-N 2.71Å; D168-A171 VanDerWaalsContact O-N 3.09Å; P169-A171 PolarHBondContact O-N 2.97Å; A171-G222 CarbonylContact O-C 3.54Å; A171-G222 WeakPolarHBondContact O-CA 3.26Å; A171-G223 PolarHBondContact O-N 2.93Å; A171-I247 HydrophobicContact CB-CD1 4.3Å; A171-I247 HydrophobicContact CB-CG1 4Å
172	S	98.9	Very high	97.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	25%	0.246	C	C	.	.			trans	-132.9	147.1	-168.9	-62.1	0	0	0	0	112.6	Y167 D168 P169 G222 G223	Y167-S172 VanDerWaalsContact CE2-OG 3.23Å; Y167-S172 WeakPolarHBondContact CE2-OG 3.38Å; Y167-S172 WeakPolarHBondContact OH-CB 3.26Å; Y167-S172 PolarHBondContact OH-OG 3.32Å; D168-S172 PolarHBondContact O-OG 3.4Å; P169-S172 PolarHBondContact O-N 3.17Å; S172-G222 VanDerWaalsContact OG-CA 3.24Å; S172-G222 WeakPolarHBondContact OG-CA 3.1Å; S172-G223 WeakPolarHBondContact CA-O 3.29Å; S172-G223 WeakPolarHBondContact CB-O 3.44Å; S172-G223 PolarHBondContact OG-N 2.88Å
173	F	98.7	Very high	97.7	Very high	39 Å²	39	42.4 Å²	42.4	17%	0.171	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	150.2	171.1	-160.6	-97.7	0	0	0	110.9	V175 G223 V224 R225 R238 L242	F173-V175 HydrophobicContact CD1-CG2 3.88Å; F173-G223 PolarHBondContact N-O 3.22Å; F173-G223 VanDerWaalsContact N-O 3.17Å; F173-V224 CarbonylContact O-C 3.5Å; F173-V224 WeakPolarHBondContact O-CA 3.37Å; F173-R225 PolarHBondContact O-N 2.86Å; F173-R238 VanDerWaalsContact CE1-NH2 3.26Å; F173-R238 VanDerWaalsContact CZ-NH2 3.27Å; F173-L242 HydrophobicContact CB-CD1 3.86Å; F173-L242 HydrophobicContact CB-CD2 3.71Å; F173-L242 HydrophobicContact CB-CG 4.46Å; F173-L242 HydrophobicContact CG-CD1 4.3Å
174	D	98.6	Very high	97.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.011	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	108.1	168.5	-164.4	-40.7	0	0	0	109.9	N176 D177 Q178 D179 D181 R225	D174-N176 WeakPolarHBondContact OD1-CA 3.42Å; D174-N176 WeakPolarHBondContact OD1-CB 3.47Å; D174-N176 PolarHBondContact OD1-N 2.93Å; D174-D177 PolarHBondContact OD1-N 2.84Å; D174-Q178 CarbonylContact O-C 3.53Å; D174-Q178 WeakPolarHBondContact O-CA 3.4Å; D174-Q178 PolarHBondContact O-N 2.79Å; D174-D179 WeakPolarHBondContact CA-O 3.49Å; D174-D179 WeakPolarHBondContact CB-O 3.4Å; D174-D179 PolarHBondContact N-O 3.28Å; D174-D179 PolarHBondContact O-N 3.34Å; D174-D179 VanDerWaalsContact O-N 3.14Å; D174-D181 WeakPolarHBondContact CB-O 3.36Å; D174-R225 HydrophobicContact CB-CB 4.39Å; D174-R225 IonicContact OD1-NH1 3.53Å; D174-R225 VanDerWaalsContact OD2-CD 3.25Å; D174-R225 WeakPolarHBondContact OD2-CD 3.48Å; D174-R225 IonicContact OD2-CZ 3.91Å; D174-R225 IonicContact OD2-NE 3.29Å; D174-R225 IonicContact OD2-NH1 3.57Å; D174-R225 PolarHBondContact OD2-NH1 2.87Å
175	V	96.1	Very high	97.6	Very high	11 Å²	11	46 Å²	46	7%	0.067	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-27.9	179.2	-178.8	0	0	0	0	111.1	F173 V224 R225 M226 V235 R238	F173-V175 HydrophobicContact CD1-CG2 3.88Å; V175-V224 HydrophobicContact CG2-CG1 3.67Å; V175-R225 PolarHBondContact N-O 3.09Å; V175-M226 HydrophobicContact CB-CB 4.22Å; V175-V235 HydrophobicContact CG1-CB 4.16Å; V175-V235 HydrophobicContact CG1-CG1 3.81Å; V175-V235 HydrophobicContact CG1-CG2 4.1Å; V175-R238 HydrophobicContact CG2-CG 4.42Å
176	N	92.9	Very high	97.6	Very high	33 Å²	33	47.3 Å²	47.3	18%	0.176	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-48.9	178.3	-63	120	0	0	0	110.9	D174 R225 M226 D228	D174-N176 WeakPolarHBondContact OD1-CA 3.42Å; D174-N176 WeakPolarHBondContact OD1-CB 3.47Å; D174-N176 PolarHBondContact OD1-N 2.93Å; N176-R225 PolarHBondContact N-O 2.89Å; N176-R225 WeakPolarHBondContact OD1-CG 3.08Å; N176-R225 PolarHBondContact OD1-O 2.76Å; N176-M226 PolarHBondContact ND2-O 3.22Å; N176-M226 WeakPolarHBondContact OD1-CA 3.16Å; N176-M226 PolarHBondContact OD1-N 3.48Å; N176-M226 VanDerWaalsContact OD1-N 3.12Å; N176-D228 PolarHBondContact OD1-N 2.82Å
177	D	95	Very high	97.4	Very high	103 Å²	103	47.3 Å²	47.3	55%	0.551	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.4	-178.3	-69.5	-28.7	0	0	0	113.6	D174 D179 R225	D174-D177 PolarHBondContact OD1-N 2.84Å; D177-D179 WeakPolarHBondContact CB-OD2 3.38Å; D177-R225 IonicContact OD2-CZ 2.76Å; D177-R225 IonicContact OD2-NH1 3Å; D177-R225 PolarHBondContact OD2-NH1 2.97Å; D177-R225 IonicContact OD2-NH2 3.98Å
178	Q	94.7	Very high	97.2	Very high	139 Å²	139	53.8 Å²	53.8	65%	0.65	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	39.4	174.7	-52.3	-175.5	30.3	0	0	115.1	D174	D174-Q178 CarbonylContact O-C 3.53Å; D174-Q178 WeakPolarHBondContact O-CA 3.4Å; D174-Q178 PolarHBondContact O-N 2.79Å
179	D	97.6	Very high	96.9	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-133.8	169	-179.8	78.8	78.9	0	0	0	111.1	D174 D177 D181	D174-D179 WeakPolarHBondContact CA-O 3.49Å; D174-D179 WeakPolarHBondContact CB-O 3.4Å; D174-D179 PolarHBondContact N-O 3.28Å; D174-D179 PolarHBondContact O-N 3.34Å; D174-D179 VanDerWaalsContact O-N 3.14Å; D177-D179 WeakPolarHBondContact CB-OD2 3.38Å; D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 PolarHBondContact O-N 3.21Å; D179-D181 WeakPolarHBondContact OD1-CA 3.33Å; D179-D181 WeakPolarHBondContact OD1-CB 3.37Å; D179-D181 PolarHBondContact OD1-N 2.96Å
180	P	97.3	Very high	96.6	Very high	93 Å²	93	57.6 Å²	57.6	60%	0.604	29%	0.288	S	S	*	.	S	Bend	trans	-80.1	-4.6	-173.6	32.3	-34.3	0	0	0	114.3	P182	P180-P182 VanDerWaalsContact O-CD 3.3Å; P180-P182 WeakPolarHBondContact O-CD 3.43Å
181	D	98.1	Very high	96.3	Very high	60 Å²	60	61 Å²	61	32%	0.321	30%	0.301	S	S	.	.			trans	-98.5	102.4	-174.5	-173.5	0.8	0	0	0	112.5	K158 D174 D179 Q183	K158-D181 VanDerWaalsContact CE-OD1 3.22Å; K158-D181 WeakPolarHBondContact CE-OD1 3.14Å; K158-D181 IonicContact NZ-OD1 3.39Å; K158-D181 PolarHBondContact NZ-OD1 2.87Å; K158-D181 IonicContact NZ-OD2 3.81Å; K158-D181 PolarHBondContact NZ-OD2 2.85Å; D174-D181 WeakPolarHBondContact CB-O 3.36Å; D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 PolarHBondContact O-N 3.21Å; D179-D181 WeakPolarHBondContact OD1-CA 3.33Å; D179-D181 WeakPolarHBondContact OD1-CB 3.37Å; D179-D181 PolarHBondContact OD1-N 2.96Å; D181-Q183 PolarHBondContact O-N 3.37Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.39Å; D181-Q183 PolarHBondContact OD1-N 2.9Å; D181-Q183 VanDerWaalsContact OD1-N 3.11Å
182	P	98.4	Very high	96.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.			trans	-79.2	24.4	-178	40.9	-45.2	0	0	0	113.5	G155 I156 Y167 P180 G223 R225	G155-P182 CarbonylContact C-O 3.57Å; G155-P182 VanDerWaalsContact CA-O 3.25Å; G155-P182 WeakPolarHBondContact CA-O 3.28Å; I156-P182 HydrophobicContact CG2-CB 3.93Å; I156-P182 HydrophobicContact CG2-CG 3.4Å; I156-P182 PolarHBondContact N-O 3.33Å; Y167-P182 HydrophobicContact CE2-CG 4.44Å; P180-P182 VanDerWaalsContact O-CD 3.3Å; P180-P182 WeakPolarHBondContact O-CD 3.43Å; P182-G223 WeakPolarHBondContact CB-O 3.46Å; P182-G223 WeakPolarHBondContact CG-O 3.41Å; P182-R225 HydrophobicContact CB-CB 4.37Å
183	Q	98.4	Very high	96.1	Very high	37 Å²	37	65.6 Å²	65.6	17%	0.173	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-61	127	-175.4	-171	76.7	45.3	0	0	110.1	N159 D181 R185 Y186	N159-Q183 PolarHBondContact OD1-NE2 3.38Å; D181-Q183 PolarHBondContact O-N 3.37Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.39Å; D181-Q183 PolarHBondContact OD1-N 2.9Å; D181-Q183 VanDerWaalsContact OD1-N 3.11Å; Q183-R185 PolarHBondContact O-N 2.76Å; Q183-Y186 PolarHBondContact NE2-OH 2.8Å; Q183-Y186 VanDerWaalsContact NE2-OH 3.08Å
184	P	98.1	Very high	96.1	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.013	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.3	140.3	178.8	25.2	-35.1	0	0	0	110.8	I156 E157 Y186 N192 L356	I156-P184 WeakPolarHBondContact O-CD 3.36Å; E157-P184 HydrophobicContact CB-CG 4.2Å; P184-Y186 PolarHBondContact O-N 3.31Å; P184-N192 HydrophobicContact CB-CB 3.95Å; P184-N192 VanDerWaalsContact CB-O 3.28Å; P184-N192 WeakPolarHBondContact CB-O 3.26Å; P184-L356 HydrophobicContact CB-CD1 3.9Å; P184-L356 HydrophobicContact CG-CD1 3.35Å
185	R	97.2	Very high	96.1	Very high	126 Å²	126	65.6 Å²	65.6	48%	0.475	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-74.1	120.2	172.2	-178	-179.8	61.3	92.8	2.2	109.9	Q183 T187 N192 D228	Q183-R185 PolarHBondContact O-N 2.76Å; R185-T187 PolarHBondContact O-N 3.03Å; R185-N192 PolarHBondContact O-ND2 2.82Å; R185-D228 WeakPolarHBondContact CB-OD2 3.37Å; R185-D228 IonicContact CZ-OD1 3.65Å; R185-D228 IonicContact CZ-OD2 3.84Å; R185-D228 IonicContact NE-OD1 3.58Å; R185-D228 PolarHBondContact NE-OD1 3.19Å; R185-D228 IonicContact NE-OD2 3.12Å; R185-D228 PolarHBondContact NE-OD2 2.7Å; R185-D228 IonicContact NH2-OD1 2.8Å; R185-D228 PolarHBondContact NH2-OD1 2.85Å; R185-D228 IonicContact NH2-OD2 3.32Å
186	Y	97.3	Very high	96.2	Very high	92 Å²	92	65 Å²	65	36%	0.361	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-77.2	117.2	-178.9	-61.8	-90.3	0	0	0	112.1	E157 Q183 P184 L356 R357	E157-Y186 WeakPolarHBondContact OE1-CE1 3.41Å; E157-Y186 PolarHBondContact OE1-OH 2.88Å; Q183-Y186 PolarHBondContact NE2-OH 2.8Å; Q183-Y186 VanDerWaalsContact NE2-OH 3.08Å; P184-Y186 PolarHBondContact O-N 3.31Å; Y186-L356 HydrophobicContact CD1-CD1 4.07Å; Y186-L356 HydrophobicContact CD1-CD2 3.98Å; Y186-L356 HydrophobicContact CD1-CG 3.89Å; Y186-L356 HydrophobicContact CE1-CD1 3.68Å; Y186-L356 HydrophobicContact CE1-CD2 4.38Å; Y186-L356 HydrophobicContact CE1-CG 3.8Å; Y186-R357 HydrophobicContact CD1-CG 3.83Å; Y186-R357 HydrophobicContact CE1-CG 3.87Å
187	T	95.7	Very high	96.5	Very high	21 Å²	21	64.6 Å²	64.6	13%	0.129	31%	0.311	C	S	.	.			trans	-109.2	164.8	172	69.9	0	0	0	0	111.3	R185 M189 N190 D191 R357	R185-T187 PolarHBondContact O-N 3.03Å; T187-M189 VanDerWaalsContact C-N 3.27Å; T187-M189 PolarHBondContact O-N 3.08Å; T187-N190 PolarHBondContact O-N 3.49Å; T187-N190 PolarHBondContact O-OD1 2.69Å; T187-N190 PolarHBondContact OG1-N 3.03Å; T187-N190 VanDerWaalsContact OG1-N 3.13Å; T187-D191 WeakPolarHBondContact CB-OD2 3.33Å; T187-D191 PolarHBondContact OG1-N 2.95Å; T187-D191 VanDerWaalsContact OG1-N 3.17Å; T187-D191 PolarHBondContact OG1-OD2 3.04Å; T187-R357 PolarHBondContact O-NH2 3.1Å
188	Q	93.4	Very high	96.7	Very high	186 Å²	186	59.8 Å²	59.8	87%	0.869	29%	0.286	S	S	*	.	S	Bend	trans	-63.6	-34.5	176	-68.8	-176.3	0.1	0	0	112.3	N190	Q188-N190 VanDerWaalsContact C-N 3.3Å
189	M	91.9	Very high	96.9	Very high	139 Å²	139	53.2 Å²	53.2	69%	0.685	26%	0.255	S	S	*	.	S	Bend	trans	-81.7	-9.7	179.5	-62	-55	-174.8	0	0	113.3	T187 D191 R193	T187-M189 VanDerWaalsContact C-N 3.27Å; T187-M189 PolarHBondContact O-N 3.08Å; M189-D191 VanDerWaalsContact CB-OD1 3.26Å; M189-D191 WeakPolarHBondContact CB-OD1 3.44Å; M189-R193 PolarHBondContact O-NH1 3.18Å
190	N	94.3	Very high	97	Very high	42 Å²	42	50.5 Å²	50.5	23%	0.225	24%	0.241	C	C	.	.			trans	54.3	54.2	-174.3	-50.4	-60.6	0	0	0	110.8	T187 Q188 R193 L356 R357	T187-N190 PolarHBondContact O-N 3.49Å; T187-N190 PolarHBondContact O-OD1 2.69Å; T187-N190 PolarHBondContact OG1-N 3.03Å; T187-N190 VanDerWaalsContact OG1-N 3.13Å; Q188-N190 VanDerWaalsContact C-N 3.3Å; N190-R193 WeakPolarHBondContact O-CD 3.06Å; N190-R193 WeakPolarHBondContact O-CG 3.41Å; N190-R193 PolarHBondContact O-NH1 3.32Å; N190-L356 HydrophobicContact CB-CD2 4.12Å; N190-R357 PolarHBondContact OD1-NE 2.71Å; N190-R357 PolarHBondContact OD1-NH2 3.19Å; N190-R357 VanDerWaalsContact OD1-NH2 3.12Å
191	D	91.5	Very high	97	Very high	94 Å²	94	46.1 Å²	46.1	50%	0.503	21%	0.212	S	C	.	.			trans	-67	-45.7	-179.1	-50.2	-61.7	0	0	0	109.5	T187 M189 R193	T187-D191 WeakPolarHBondContact CB-OD2 3.33Å; T187-D191 PolarHBondContact OG1-N 2.95Å; T187-D191 VanDerWaalsContact OG1-N 3.17Å; T187-D191 PolarHBondContact OG1-OD2 3.04Å; M189-D191 VanDerWaalsContact CB-OD1 3.26Å; M189-D191 WeakPolarHBondContact CB-OD1 3.44Å; D191-R193 PolarHBondContact O-N 2.92Å
192	N	96.4	Very high	97.1	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.048	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	48.1	-178	-56.8	-42.3	0	0	0	113.8	D154 P184 R185 D228	D154-N192 HydrophobicContact CB-CB 4.17Å; D154-N192 WeakPolarHBondContact OD2-CA 3.32Å; P184-N192 HydrophobicContact CB-CB 3.95Å; P184-N192 VanDerWaalsContact CB-O 3.28Å; P184-N192 WeakPolarHBondContact CB-O 3.26Å; R185-N192 PolarHBondContact O-ND2 2.82Å; N192-D228 PolarHBondContact ND2-OD1 2.73Å; N192-D228 PolarHBondContact ND2-OD2 2.66Å; N192-D228 VanDerWaalsContact OD1-CG 3.31Å; N192-D228 PolarHBondContact OD1-OD1 3.09Å
193	R	97.6	Very high	97.1	Very high	91 Å²	91	43.2 Å²	43.2	34%	0.343	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-12.9	-179.1	67.2	-178.1	174	-120.8	2.8	113	D154 M189 N190 D191 R197 L356	D154-R193 PolarHBondContact OD2-N 2.89Å; D154-R193 VanDerWaalsContact OD2-N 3.09Å; M189-R193 PolarHBondContact O-NH1 3.18Å; N190-R193 WeakPolarHBondContact O-CD 3.06Å; N190-R193 WeakPolarHBondContact O-CG 3.41Å; N190-R193 PolarHBondContact O-NH1 3.32Å; D191-R193 PolarHBondContact O-N 2.92Å; R193-R197 WeakPolarHBondContact O-CG 3.49Å; R193-R197 PolarHBondContact O-N 3.38Å; R193-L356 HydrophobicContact CB-CB 3.72Å; R193-L356 HydrophobicContact CB-CD2 4.25Å
194	H	97.9	Very high	97.1	Very high	41 Å²	41	41.6 Å²	41.6	19%	0.19	19%	0.189	C	C	.	.	H	α-helix	trans	-69.9	-50.3	-163.2	-174	-89.2	0	0	0	111	D153 D154 T196 R197 C198 S253 H364 S368	D153-H194 WeakPolarHBondContact OD1-CB 3.39Å; D153-H194 IonicContact OD1-CG 3.25Å; D153-H194 IonicContact OD1-ND1 3.84Å; D153-H194 PolarHBondContact OD1-ND1 3.49Å; D153-H194 IonicContact OD2-CE1 3.61Å; D153-H194 PolarHBondContact OD2-CE1 3.03Å; D153-H194 IonicContact OD2-CG 3.99Å; D153-H194 IonicContact OD2-ND1 2.71Å; D153-H194 PolarHBondContact OD2-ND1 2.86Å; D154-H194 PolarHBondContact OD1-N 3.35Å; D154-H194 WeakPolarHBondContact OD2-CA 3.38Å; D154-H194 WeakPolarHBondContact OD2-CB 3.41Å; D154-H194 PolarHBondContact OD2-N 3.38Å; H194-T196 VanDerWaalsContact C-N 3.29Å; H194-T196 PolarHBondContact O-N 3.44Å; H194-R197 WeakPolarHBondContact O-CB 3.34Å; H194-R197 PolarHBondContact O-N 3.16Å; H194-C198 VanDerWaalsContact CE1-SG 3.5Å; H194-C198 PolarHBondContact O-N 2.69Å; H194-C198 PolarHBondContact O-SG 3.25Å; H194-C198 VanDerWaalsContact O-SG 3.42Å; H194-S253 PolarHBondContact CE1-OG 3.39Å; H194-S253 VanDerWaalsContact CE1-OG 3.24Å; H194-H364 AromaticContact CD2-CE1 3.91Å; H194-H364 AromaticContact NE2-CE1 3.75Å; H194-S368 WeakPolarHBondContact NE2-CB 3.48Å; H194-S368 PolarHBondContact NE2-OG 3.15Å
195	G	98.4	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-34.4	179.1	0	0	0	0	0	113.5	D153 D154 G155 R197 C198 A199	D153-G195 WeakPolarHBondContact OD1-CA 3.45Å; D153-G195 PolarHBondContact OD1-N 3.17Å; D154-G195 PolarHBondContact OD1-N 2.85Å; G155-G195 CarbonylContact O-C 3.57Å; G155-G195 WeakPolarHBondContact O-CA 3.45Å; G195-R197 VanDerWaalsContact C-N 3.34Å; G195-R197 PolarHBondContact O-N 2.79Å; G195-C198 PolarHBondContact O-N 2.99Å; G195-A199 VanDerWaalsContact O-CB 3.31Å; G195-A199 WeakPolarHBondContact O-CB 3.39Å; G195-A199 PolarHBondContact O-N 3.45Å
196	T	98.8	Very high	97.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-33.6	174.4	-60.8	0	0	0	0	112.3	G155 E157 L163 H194 G200 T354	G155-T196 PolarHBondContact O-N 3.39Å; E157-T196 HydrophobicContact CB-CG2 3.76Å; E157-T196 PolarHBondContact N-OG1 2.96Å; L163-T196 HydrophobicContact CD1-CG2 4.13Å; H194-T196 VanDerWaalsContact C-N 3.29Å; H194-T196 PolarHBondContact O-N 3.44Å; T196-G200 PolarHBondContact O-N 3.35Å; T196-T354 PolarHBondContact O-OG1 3.05Å
197	R	98.8	Very high	97.2	Very high	24 Å²	24	37.2 Å²	37.2	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-48.8	174.7	-71.4	170.1	174.8	-150.5	-6.8	111.1	R193 H194 G195 A199 G200 E201 T353 T354 D355 T361	R193-R197 WeakPolarHBondContact O-CG 3.49Å; R193-R197 PolarHBondContact O-N 3.38Å; H194-R197 WeakPolarHBondContact O-CB 3.34Å; H194-R197 PolarHBondContact O-N 3.16Å; G195-R197 VanDerWaalsContact C-N 3.34Å; G195-R197 PolarHBondContact O-N 2.79Å; R197-A199 VanDerWaalsContact C-N 3.31Å; R197-A199 PolarHBondContact O-N 2.98Å; R197-G200 PolarHBondContact O-N 2.89Å; R197-E201 PolarHBondContact O-N 2.69Å; R197-T353 HydrophobicContact CB-CG2 3.73Å; R197-T353 HydrophobicContact CG-CG2 4.1Å; R197-T353 WeakPolarHBondContact O-CG2 3.49Å; R197-T353 PolarHBondContact O-OG1 2.88Å; R197-T354 VanDerWaalsContact CA-O 3.31Å; R197-T354 WeakPolarHBondContact CA-O 3.39Å; R197-T354 VanDerWaalsContact CG-O 3.24Å; R197-T354 WeakPolarHBondContact CG-O 3.22Å; R197-D355 IonicContact CZ-OD1 2.64Å; R197-D355 IonicContact CZ-OD2 2.79Å; R197-D355 IonicContact NE-OD1 2.83Å; R197-D355 PolarHBondContact NE-OD1 3.1Å; R197-D355 IonicContact NE-OD2 2.65Å; R197-D355 VanDerWaalsContact NH2-CG 3.35Å; R197-D355 IonicContact NH2-OD1 2.88Å; R197-D355 PolarHBondContact NH2-OD1 3.44Å; R197-D355 IonicContact NH2-OD2 3.46Å; R197-D355 PolarHBondContact NH2-OD2 2.69Å; R197-T361 HydrophobicContact CG-CG2 4.11Å
198	C	98.8	Very high	97.3	Very high	2 Å²	2	39 Å²	39	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-39.5	178	-61.9	0	0	0	0	112.2	I151 H194 G195 G200 E201 V202 P372	I151-C198 HydrophobicContact CD1-CB 4.31Å; I151-C198 HydrophobicContact CG2-CB 3.94Å; H194-C198 VanDerWaalsContact CE1-SG 3.5Å; H194-C198 PolarHBondContact O-N 2.69Å; H194-C198 PolarHBondContact O-SG 3.25Å; H194-C198 VanDerWaalsContact O-SG 3.42Å; G195-C198 PolarHBondContact O-N 2.99Å; C198-G200 VanDerWaalsContact C-N 3.31Å; C198-G200 PolarHBondContact O-N 3.41Å; C198-E201 WeakPolarHBondContact CA-OE1 3.4Å; C198-E201 PolarHBondContact O-N 3.49Å; C198-V202 PolarHBondContact O-N 2.79Å; C198-P372 HydrophobicContact CB-CB 4.09Å; C198-P372 HydrophobicContact CB-CG 3.52Å
199	A	98.9	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-38.7	177.1	0	0	0	0	0	113	I151 I156 L163 G195 R197 V202 A203 I221	I151-A199 HydrophobicContact CG1-CB 4.03Å; I156-A199 HydrophobicContact CD1-CB 3.55Å; I156-A199 HydrophobicContact CG1-CB 3.98Å; L163-A199 HydrophobicContact CD1-CB 4.07Å; L163-A199 HydrophobicContact CD2-CB 4.24Å; G195-A199 VanDerWaalsContact O-CB 3.31Å; G195-A199 WeakPolarHBondContact O-CB 3.39Å; G195-A199 PolarHBondContact O-N 3.45Å; R197-A199 VanDerWaalsContact C-N 3.31Å; R197-A199 PolarHBondContact O-N 2.98Å; A199-V202 PolarHBondContact O-N 3.12Å; A199-A203 PolarHBondContact O-N 3.25Å; A199-I221 HydrophobicContact CB-CG1 3.95Å
200	G	98.9	Very high	97.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-66.9	-35.3	177.6	0	0	0	0	0	113.4	T196 R197 C198 V202 A204 G214 T353 T354	T196-G200 PolarHBondContact O-N 3.35Å; R197-G200 PolarHBondContact O-N 2.89Å; C198-G200 VanDerWaalsContact C-N 3.31Å; C198-G200 PolarHBondContact O-N 3.41Å; G200-V202 VanDerWaalsContact C-N 3.28Å; G200-V202 PolarHBondContact O-N 3.09Å; G200-A204 WeakPolarHBondContact O-CB 3.45Å; G200-A204 PolarHBondContact O-N 2.74Å; G200-G214 VanDerWaalsContact O-CA 3.28Å; G200-G214 WeakPolarHBondContact O-CA 3.26Å; G200-T353 VanDerWaalsContact C-OG1 3.28Å; G200-T353 VanDerWaalsContact CA-OG1 3.31Å; G200-T353 WeakPolarHBondContact CA-OG1 3.37Å; G200-T354 WeakPolarHBondContact CA-OG1 3.19Å; G200-T354 PolarHBondContact N-OG1 2.82Å
201	E	98.9	Very high	98	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-36.5	177.3	-64.7	179.2	-96.6	0	0	111.9	R197 C198 G214 V215 I351 T353 H364 P372 L373	R197-E201 PolarHBondContact O-N 2.69Å; C198-E201 WeakPolarHBondContact CA-OE1 3.4Å; C198-E201 PolarHBondContact O-N 3.49Å; E201-G214 WeakPolarHBondContact O-CA 3.32Å; E201-V215 WeakPolarHBondContact O-CG2 3.42Å; E201-V215 PolarHBondContact O-N 2.63Å; E201-I351 HydrophobicContact CG-CG2 3.9Å; E201-I351 WeakPolarHBondContact OE2-CG2 3.38Å; E201-T353 HydrophobicContact CG-CG2 4.16Å; E201-T353 PolarHBondContact N-OG1 2.91Å; E201-T353 VanDerWaalsContact N-OG1 3.14Å; E201-H364 IonicContact OE1-CD2 3.67Å; E201-H364 PolarHBondContact OE1-CD2 3.3Å; E201-H364 IonicContact OE1-NE2 3.52Å; E201-H364 PolarHBondContact OE1-NE2 2.97Å; E201-P372 HydrophobicContact CB-CB 3.91Å; E201-L373 HydrophobicContact CB-CD2 4.03Å; E201-L373 HydrophobicContact CG-CD2 4.48Å
202	V	98.9	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-74.6	-54.5	176.2	-177.8	0	0	0	0	110.8	V149 I151 C198 A199 G200 G214 V215 A216 I221 P372 A375	V149-V202 HydrophobicContact CB-CG1 3.92Å; V149-V202 HydrophobicContact CG1-CG1 3.96Å; V149-V202 HydrophobicContact CG1-CG2 4.4Å; V149-V202 HydrophobicContact CG2-CG1 3.83Å; I151-V202 HydrophobicContact CD1-CG2 4.04Å; C198-V202 PolarHBondContact O-N 2.79Å; A199-V202 PolarHBondContact O-N 3.12Å; G200-V202 VanDerWaalsContact C-N 3.28Å; G200-V202 PolarHBondContact O-N 3.09Å; V202-G214 CarbonylContact O-C 3.57Å; V202-G214 WeakPolarHBondContact O-CA 3.46Å; V202-V215 PolarHBondContact O-N 2.9Å; V202-A216 CarbonylContact O-C 3.55Å; V202-A216 WeakPolarHBondContact O-CA 3.28Å; V202-A216 PolarHBondContact O-N 2.52Å; V202-I221 HydrophobicContact CB-CD1 4.01Å; V202-I221 HydrophobicContact CG1-CD1 4Å; V202-I221 HydrophobicContact CG2-CD1 4.48Å; V202-P372 HydrophobicContact CG2-CB 3.99Å; V202-P372 WeakPolarHBondContact CG2-O 3.37Å; V202-A375 HydrophobicContact CG2-CB 4.33Å
203	A	98.8	Very high	98.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-144.5	29	-160.4	0	0	0	0	0	115	N166 A199 V205 I221	N166-A203 PolarHBondContact ND2-O 3.36Å; A199-A203 PolarHBondContact O-N 3.25Å; A203-V205 PolarHBondContact O-N 2.74Å; A203-I221 HydrophobicContact CB-CB 3.71Å; A203-I221 HydrophobicContact CB-CG1 4.23Å; A203-I221 HydrophobicContact CB-CG2 3.99Å
204	A	98.9	Very high	98.5	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-54.8	136.8	165.2	0	0	0	0	0	110.8	D162 G200 A206 G214 Y217 T354	D162-A204 CarbonylContact O-C 3.56Å; D162-A204 VanDerWaalsContact O-CA 3.29Å; D162-A204 WeakPolarHBondContact O-CA 3.4Å; D162-A204 WeakPolarHBondContact OD2-CB 3.33Å; G200-A204 WeakPolarHBondContact O-CB 3.45Å; G200-A204 PolarHBondContact O-N 2.74Å; A204-A206 PolarHBondContact O-N 3.08Å; A204-G214 PolarHBondContact O-N 2.77Å; A204-Y217 VanDerWaalsContact O-CB 3.28Å; A204-Y217 WeakPolarHBondContact O-CB 3.35Å; A204-T354 HydrophobicContact CB-CG2 4.19Å
205	V	98.7	Very high	98.5	Very high	27 Å²	27	15.5 Å²	15.5	16%	0.164	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-72	126.4	-170.4	173.4	0	0	0	0	110.4	D162 N166 A203 N208	D162-V205 WeakPolarHBondContact O-CG2 3.34Å; D162-V205 PolarHBondContact O-N 3.45Å; D162-V205 PolarHBondContact OD1-N 3.34Å; N166-V205 HydrophobicContact CB-CG2 4.34Å; A203-V205 PolarHBondContact O-N 2.74Å; V205-N208 HydrophobicContact CG1-CB 4.16Å; V205-N208 PolarHBondContact O-ND2 3.06Å
206	A	98	Very high	98.5	Very high	17 Å²	17	15.5 Å²	15.5	14%	0.14	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	152.4	176.3	0	0	0	0	0	113.5	A204 N208 V213 Y217	A204-A206 PolarHBondContact O-N 3.08Å; A206-N208 VanDerWaalsContact C-N 3.35Å; A206-N208 PolarHBondContact O-N 3.14Å; A206-V213 HydrophobicContact CB-CB 4.22Å; A206-V213 HydrophobicContact CB-CG1 3.68Å; A206-Y217 HydrophobicContact CB-CD1 4.08Å; A206-Y217 HydrophobicContact CB-CD2 3.61Å; A206-Y217 HydrophobicContact CB-CE2 4.13Å; A206-Y217 HydrophobicContact CB-CG 3.58Å
207	N	97.6	Very high	98.5	Very high	85 Å²	85	16.7 Å²	16.7	46%	0.455	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	37.1	173.4	-58.3	-66.5	0	0	0	114.5	P113 T114 D115	P113-N207 WeakPolarHBondContact CA-OD1 3.27Å; T114-N207 PolarHBondContact N-OD1 3.12Å; T114-N207 PolarHBondContact OG1-OD1 3.26Å; D115-N207 VanDerWaalsContact CG-N 3.28Å; D115-N207 WeakPolarHBondContact OD1-CA 3.49Å; D115-N207 PolarHBondContact OD1-N 3.39Å; D115-N207 PolarHBondContact OD2-N 2.98Å
208	N	97.8	Very high	98.5	Very high	58 Å²	58	18.8 Å²	18.8	31%	0.31	12%	0.118	S	C	.	.	S	Bend	trans	-109	-6.9	177	68.6	5.2	0	0	0	112.8	D115 D162 V205 A206 V210	D115-N208 PolarHBondContact OD1-N 3.36Å; D115-N208 PolarHBondContact OD1-OD1 3.23Å; D162-N208 PolarHBondContact OD1-ND2 3.06Å; V205-N208 HydrophobicContact CG1-CB 4.16Å; V205-N208 PolarHBondContact O-ND2 3.06Å; A206-N208 VanDerWaalsContact C-N 3.35Å; A206-N208 PolarHBondContact O-N 3.14Å; N208-V210 VanDerWaalsContact C-N 3.34Å; N208-V210 WeakPolarHBondContact OD1-CA 3.37Å; N208-V210 WeakPolarHBondContact OD1-CB 3.45Å; N208-V210 PolarHBondContact OD1-N 3.25Å; N208-V210 PolarHBondContact OD1-O 3.42Å
209	G	97.6	Very high	98.5	Very high	53 Å²	53	18.7 Å²	18.7	55%	0.546	12%	0.117	S	C	.	.	S	Bend	trans	77.8	17.8	-179.4	0	0	0	0	0	114	D115	D115-G209 PolarHBondContact OD1-N 3.13Å
210	V	98.3	Very high	98.5	Very high	46 Å²	46	23.1 Å²	23.1	28%	0.279	13%	0.134	S	C	.	.	S	Bend	trans	-118.6	139.8	-179.6	-176.4	0	0	0	0	108.6	P161 D162 N208 G212	P161-V210 HydrophobicContact CB-CG1 4.3Å; P161-V210 HydrophobicContact CB-CG2 4.44Å; P161-V210 HydrophobicContact CG-CG1 4Å; D162-V210 HydrophobicContact CB-CB 4.46Å; D162-V210 HydrophobicContact CB-CG1 3.94Å; N208-V210 VanDerWaalsContact C-N 3.34Å; N208-V210 WeakPolarHBondContact OD1-CA 3.37Å; N208-V210 WeakPolarHBondContact OD1-CB 3.45Å; N208-V210 PolarHBondContact OD1-N 3.25Å; N208-V210 PolarHBondContact OD1-O 3.42Å; V210-G212 PolarHBondContact O-N 3.19Å
211	C	98.3	Very high	98.5	Very high	9 Å²	9	23 Å²	23	6%	0.061	13%	0.133	C	C	.	.	S	Bend	trans	37.4	-122.2	174.5	-164	0	0	0	0	114.4	P116 K117 D162 T353 C360	P116-C211 WeakPolarHBondContact CD-O 3.38Å; P116-C211 WeakPolarHBondContact CG-O 3.47Å; K117-C211 WeakPolarHBondContact CA-O 3.46Å; K117-C211 WeakPolarHBondContact CB-O 3.12Å; K117-C211 PolarHBondContact N-O 2.94Å; D162-C211 WeakPolarHBondContact OD2-CB 3.39Å; C211-T353 VanDerWaalsContact SG-C 3.56Å; C211-T353 PolarHBondContact SG-O 3.41Å; C211-C360 WeakPolarHBondContact CA-SG 3.36Å; C211-C360 HydrophobicContact CB-CB 3.61Å; C211-C360 WeakPolarHBondContact CB-SG 3.39Å; C211-C360 WeakPolarHBondContact SG-CB 3.38Å; C211-C360 CovalentContact SG-SG 2.04Å; C211-C360 PolarHBondContact SG-SG 3.04Å
212	G	98.1	Very high	98.5	Very high	1 Å²	1	23 Å²	23	1%	0.01	13%	0.133	C	C	.	.			trans	-122.6	-142.9	-177.9	0	0	0	0	0	110.8	V210	V210-G212 PolarHBondContact O-N 3.19Å
213	V	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.			trans	-138.5	151.6	176.1	-54.1	0	0	0	0	111.9	P113 D115 F118 Q121 L124 W138 A206	P113-V213 HydrophobicContact CB-CG1 3.57Å; P113-V213 HydrophobicContact CG-CG1 4.03Å; P113-V213 HydrophobicContact CG-CG2 4.23Å; D115-V213 HydrophobicContact CB-CG1 4.11Å; D115-V213 WeakPolarHBondContact OD2-CG1 3.5Å; F118-V213 HydrophobicContact CD2-CG2 3.65Å; F118-V213 HydrophobicContact CE2-CG2 3.93Å; Q121-V213 PolarHBondContact NE2-O 3.29Å; L124-V213 HydrophobicContact CD1-CG2 3.91Å; W138-V213 HydrophobicContact CH2-CG2 3.71Å; W138-V213 HydrophobicContact CZ2-CG2 4.28Å; A206-V213 HydrophobicContact CB-CB 4.22Å; A206-V213 HydrophobicContact CB-CG1 3.68Å
214	G	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.			trans	-75.8	155.6	169.4	0	0	0	0	0	111.4	G200 E201 V202 A204 A216 Y217	G200-G214 VanDerWaalsContact O-CA 3.28Å; G200-G214 WeakPolarHBondContact O-CA 3.26Å; E201-G214 WeakPolarHBondContact O-CA 3.32Å; V202-G214 CarbonylContact O-C 3.57Å; V202-G214 WeakPolarHBondContact O-CA 3.46Å; A204-G214 PolarHBondContact O-N 2.77Å; G214-A216 PolarHBondContact O-N 3.21Å; G214-Y217 PolarHBondContact O-N 2.9Å
215	V	98.9	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-41.8	172.6	176.7	0	0	0	0	110.7	L124 V134 W138 E201 V202 L373 G376 I377 L380	L124-V215 HydrophobicContact CD2-CG2 3.64Å; V134-V215 HydrophobicContact CG1-CG1 3.99Å; V134-V215 HydrophobicContact CG2-CG1 4.06Å; W138-V215 WeakPolarHBondContact CZ2-O 3.39Å; W138-V215 PolarHBondContact NE1-O 2.58Å; E201-V215 WeakPolarHBondContact O-CG2 3.42Å; E201-V215 PolarHBondContact O-N 2.63Å; V202-V215 PolarHBondContact O-N 2.9Å; V215-L373 HydrophobicContact CG2-CD2 3.74Å; V215-G376 VanDerWaalsContact CG1-C 3.49Å; V215-I377 HydrophobicContact CG1-CG1 3.85Å; V215-L380 HydrophobicContact CG1-CD1 3.92Å; V215-L380 HydrophobicContact CG1-CG 4.41Å
216	A	98.8	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	62.1	177.6	0	0	0	0	0	109.8	T143 V202 G214 N218 A219 A379 L380	T143-A216 CarbonylContact O-C 3.59Å; T143-A216 VanDerWaalsContact O-CA 3.26Å; T143-A216 WeakPolarHBondContact O-CA 3.16Å; V202-A216 CarbonylContact O-C 3.55Å; V202-A216 WeakPolarHBondContact O-CA 3.28Å; V202-A216 PolarHBondContact O-N 2.52Å; G214-A216 PolarHBondContact O-N 3.21Å; A216-N218 PolarHBondContact O-N 3.29Å; A216-A219 HydrophobicContact CB-CB 3.84Å; A216-A219 VanDerWaalsContact O-CB 3.29Å; A216-A219 WeakPolarHBondContact O-CB 3.3Å; A216-A219 PolarHBondContact O-N 3.34Å; A216-A379 HydrophobicContact CB-CB 3.85Å; A216-L380 HydrophobicContact CB-CD2 3.96Å; A216-L380 HydrophobicContact CB-CG 4.47Å
217	Y	98.8	Very high	98.2	Very high	25 Å²	25	24 Å²	24	10%	0.098	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.4	-172.9	60.3	-106.2	0	0	0	116	W138 T143 N166 A204 A206 G214	W138-Y217 AromaticContact CD1-CE1 3.84Å; W138-Y217 HydrophobicContact CD2-CD1 4.45Å; W138-Y217 AromaticContact CD2-CE1 3.71Å; W138-Y217 HydrophobicContact CD2-CE1 3.71Å; W138-Y217 AromaticContact CE2-CD1 3.71Å; W138-Y217 AromaticContact CE2-CE1 3.39Å; W138-Y217 HydrophobicContact CE3-CE1 4.39Å; W138-Y217 AromaticContact CG-CE1 3.94Å; W138-Y217 HydrophobicContact CG-CE1 3.94Å; W138-Y217 HydrophobicContact CH2-CD1 4.47Å; W138-Y217 HydrophobicContact CH2-CE1 4.46Å; W138-Y217 AromaticContact CZ2-CD1 3.72Å; W138-Y217 HydrophobicContact CZ2-CD1 3.72Å; W138-Y217 AromaticContact CZ2-CE1 3.81Å; W138-Y217 HydrophobicContact CZ2-CE1 3.81Å; W138-Y217 AromaticContact NE1-CD1 3.83Å; W138-Y217 AromaticContact NE1-CE1 3.5Å; T143-Y217 HydrophobicContact CG2-CE1 4.12Å; T143-Y217 HydrophobicContact CG2-CE2 3.7Å; T143-Y217 WeakPolarHBondContact CG2-OH 3.45Å; T143-Y217 PolarHBondContact O-N 3.13Å; N166-Y217 PolarHBondContact ND2-O 3.14Å; A204-Y217 VanDerWaalsContact O-CB 3.28Å; A204-Y217 WeakPolarHBondContact O-CB 3.35Å; A206-Y217 HydrophobicContact CB-CD1 4.08Å; A206-Y217 HydrophobicContact CB-CD2 3.61Å; A206-Y217 HydrophobicContact CB-CE2 4.13Å; A206-Y217 HydrophobicContact CB-CG 3.58Å; G214-Y217 PolarHBondContact O-N 2.9Å
218	N	98.7	Very high	98	Very high	68 Å²	68	21.2 Å²	21.2	36%	0.364	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	6.8	169.7	-72.9	128.5	0	0	0	113.9	T143 H145 A216	T143-N218 PolarHBondContact O-N 3.01Å; T143-N218 PolarHBondContact OG1-OD1 3.45Å; H145-N218 HydrophobicContact CB-CB 4.37Å; A216-N218 PolarHBondContact O-N 3.29Å
219	A	98.9	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-70.6	156.5	165.8	0	0	0	0	0	111	G144 N166 A216	G144-A219 WeakPolarHBondContact O-CA 3.43Å; G144-A219 WeakPolarHBondContact O-CB 3.24Å; G144-A219 PolarHBondContact O-N 3.08Å; N166-A219 WeakPolarHBondContact CB-O 3.36Å; A216-A219 HydrophobicContact CB-CB 3.84Å; A216-A219 VanDerWaalsContact O-CB 3.29Å; A216-A219 WeakPolarHBondContact O-CB 3.3Å; A216-A219 PolarHBondContact O-N 3.34Å
220	R	98.9	Very high	97.2	Very high	92 Å²	92	26.3 Å²	26.3	35%	0.347	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.9	167.7	-77	-179	-66.5	155.2	-7.3	109.6	I147 V148 V149 N166 D168 H246	I147-R220 PolarHBondContact O-N 2.93Å; V148-R220 WeakPolarHBondContact CA-O 3.48Å; V148-R220 HydrophobicContact CG2-CB 4.14Å; V149-R220 PolarHBondContact N-O 3.4Å; N166-R220 CarbonylContact O-C 3.59Å; N166-R220 VanDerWaalsContact O-CA 3.31Å; N166-R220 WeakPolarHBondContact O-CA 3.33Å; D168-R220 HydrophobicContact CB-CB 3.92Å; D168-R220 HydrophobicContact CB-CG 4.39Å; D168-R220 WeakPolarHBondContact OD2-CD 3.39Å; D168-R220 IonicContact OD2-CZ 3.81Å; D168-R220 IonicContact OD2-NE 2.74Å; D168-R220 IonicContact OD2-NH1 3.17Å; D168-R220 PolarHBondContact OD2-NH1 3.14Å; R220-H246 PolarHBondContact NH1-CE1 3.17Å
221	I	98.9	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.6	-176.7	-167.2	64.3	0	0	0	111	V149 I151 I156 N166 Y167 D168 A199 V202 A203	V149-I221 HydrophobicContact CB-CD1 3.87Å; V149-I221 HydrophobicContact CG1-CD1 4.13Å; V149-I221 WeakPolarHBondContact O-CA 3.46Å; I151-I221 HydrophobicContact CD1-CD1 4.17Å; I151-I221 HydrophobicContact CG1-CD1 4.01Å; I156-I221 HydrophobicContact CD1-CG1 4.28Å; N166-I221 HydrophobicContact CB-CG2 4.14Å; N166-I221 PolarHBondContact O-N 2.94Å; Y167-I221 CarbonylContact C-O 3.52Å; Y167-I221 VanDerWaalsContact CA-O 3.28Å; Y167-I221 WeakPolarHBondContact CA-O 3.47Å; D168-I221 PolarHBondContact N-O 2.88Å; A199-I221 HydrophobicContact CB-CG1 3.95Å; V202-I221 HydrophobicContact CB-CD1 4.01Å; V202-I221 HydrophobicContact CG1-CD1 4Å; V202-I221 HydrophobicContact CG2-CD1 4.48Å; A203-I221 HydrophobicContact CB-CB 3.71Å; A203-I221 HydrophobicContact CB-CG1 4.23Å; A203-I221 HydrophobicContact CB-CG2 3.99Å
222	G	98.8	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	179.8	169.3	0	0	0	0	0	111.5	V149 I151 A171 S172	V149-G222 PolarHBondContact O-N 3.06Å; I151-G222 PolarHBondContact N-O 3Å; A171-G222 CarbonylContact O-C 3.54Å; A171-G222 WeakPolarHBondContact O-CA 3.26Å; S172-G222 VanDerWaalsContact OG-CA 3.24Å; S172-G222 WeakPolarHBondContact OG-CA 3.1Å
223	G	98.6	Very high	96	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.9	176.5	0	0	0	0	0	111.3	I151 A171 S172 F173 P182	I151-G223 CarbonylContact O-C 3.51Å; I151-G223 VanDerWaalsContact O-CA 3.29Å; I151-G223 WeakPolarHBondContact O-CA 3.47Å; A171-G223 PolarHBondContact O-N 2.93Å; S172-G223 WeakPolarHBondContact CA-O 3.29Å; S172-G223 WeakPolarHBondContact CB-O 3.44Å; S172-G223 PolarHBondContact OG-N 2.88Å; F173-G223 PolarHBondContact N-O 3.22Å; F173-G223 VanDerWaalsContact N-O 3.17Å; P182-G223 WeakPolarHBondContact CB-O 3.46Å; P182-G223 WeakPolarHBondContact CG-O 3.41Å
224	V	98.7	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.9	172.2	-175.8	0	0	0	0	108.1	I151 L152 D153 F173 V175 M226 L242	I151-V224 PolarHBondContact O-N 3.26Å; L152-V224 HydrophobicContact CD2-CB 3.52Å; L152-V224 HydrophobicContact CD2-CG1 4.3Å; L152-V224 HydrophobicContact CD2-CG2 3.36Å; D153-V224 CarbonylContact C-O 3.49Å; D153-V224 PolarHBondContact N-O 2.76Å; D153-V224 VanDerWaalsContact O-O 3.05Å; F173-V224 CarbonylContact O-C 3.5Å; F173-V224 WeakPolarHBondContact O-CA 3.37Å; V175-V224 HydrophobicContact CG2-CG1 3.67Å; V224-M226 HydrophobicContact CG1-CB 4.28Å; V224-M226 HydrophobicContact CG1-CG 4.1Å; V224-M226 PolarHBondContact O-N 3.45Å; V224-L242 HydrophobicContact CG2-CD2 3.32Å
225	R	98.6	Very high	94.8	Very high	10 Å²	10	35.3 Å²	35.3	4%	0.038	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	106.9	172.7	177.3	160.1	169.8	-98.7	-2.6	108.1	F173 D174 V175 N176 D177 P182 D228	F173-R225 PolarHBondContact O-N 2.86Å; D174-R225 HydrophobicContact CB-CB 4.39Å; D174-R225 IonicContact OD1-NH1 3.53Å; D174-R225 VanDerWaalsContact OD2-CD 3.25Å; D174-R225 WeakPolarHBondContact OD2-CD 3.48Å; D174-R225 IonicContact OD2-CZ 3.91Å; D174-R225 IonicContact OD2-NE 3.29Å; D174-R225 IonicContact OD2-NH1 3.57Å; D174-R225 PolarHBondContact OD2-NH1 2.87Å; V175-R225 PolarHBondContact N-O 3.09Å; N176-R225 PolarHBondContact N-O 2.89Å; N176-R225 WeakPolarHBondContact OD1-CG 3.08Å; N176-R225 PolarHBondContact OD1-O 2.76Å; D177-R225 IonicContact OD2-CZ 2.76Å; D177-R225 IonicContact OD2-NH1 3Å; D177-R225 PolarHBondContact OD2-NH1 2.97Å; D177-R225 IonicContact OD2-NH2 3.98Å; P182-R225 HydrophobicContact CB-CB 4.37Å; R225-D228 HydrophobicContact CG-CB 4.49Å; R225-D228 IonicContact CZ-OD2 3.48Å; R225-D228 IonicContact NE-OD2 3.99Å; R225-D228 PolarHBondContact NE-OD2 2.79Å; R225-D228 IonicContact NH2-OD2 3.53Å; R225-D228 PolarHBondContact NH2-OD2 2.76Å
226	M	97.1	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.			trans	-137.9	-15.7	-178	52.9	76.5	62.8	0	0	114	D153 V175 N176 V224 V231 V235 E236 S239 W254	D153-M226 PolarHBondContact O-N 3.38Å; V175-M226 HydrophobicContact CB-CB 4.22Å; N176-M226 PolarHBondContact ND2-O 3.22Å; N176-M226 WeakPolarHBondContact OD1-CA 3.16Å; N176-M226 PolarHBondContact OD1-N 3.48Å; N176-M226 VanDerWaalsContact OD1-N 3.12Å; V224-M226 HydrophobicContact CG1-CB 4.28Å; V224-M226 HydrophobicContact CG1-CG 4.1Å; V224-M226 PolarHBondContact O-N 3.45Å; M226-V231 HydrophobicContact CE-CG1 4.13Å; M226-V235 HydrophobicContact CB-CG1 3.85Å; M226-V235 HydrophobicContact CE-CG1 4.39Å; M226-E236 HydrophobicContact CE-CG 4.38Å; M226-S239 WeakPolarHBondContact CB-OG 3.44Å; M226-S239 WeakPolarHBondContact CG-OG 3.37Å; M226-W254 HydrophobicContact CE-CD2 4.26Å; M226-W254 HydrophobicContact CE-CH2 4.33Å; M226-W254 HydrophobicContact CE-CZ2 3.87Å
227	L	94	Very high	94.2	Very high	58 Å²	58	37.3 Å²	37.3	30%	0.304	21%	0.209	S	C	.	.	S	Bend	trans	-92.9	-10.6	179.4	-60.1	-177.7	0	0	0	115.5	D153 D154 G229 V231 W254	D153-L227 PolarHBondContact O-N 2.67Å; D153-L227 VanDerWaalsContact O-N 3.07Å; D154-L227 HydrophobicContact CB-CB 4.44Å; L227-G229 PolarHBondContact O-N 3.46Å; L227-G229 VanDerWaalsContact O-N 3.1Å; L227-V231 HydrophobicContact CD2-CG2 4Å; L227-W254 HydrophobicContact CD1-CB 4.15Å; L227-W254 HydrophobicContact CD1-CG 4.32Å; L227-W254 HydrophobicContact CD2-CB 4.04Å; L227-W254 HydrophobicContact CD2-CG 3.99Å
228	D	93.5	Very high	93.9	Very high	26 Å²	26	41.7 Å²	41.7	14%	0.139	23%	0.226	C	C	.	.	S	Bend	trans	-88.8	47.1	-179.7	-171.5	29.4	0	0	0	111.5	N176 R185 N192 R225	N176-D228 PolarHBondContact OD1-N 2.82Å; R185-D228 WeakPolarHBondContact CB-OD2 3.37Å; R185-D228 IonicContact CZ-OD1 3.65Å; R185-D228 IonicContact CZ-OD2 3.84Å; R185-D228 IonicContact NE-OD1 3.58Å; R185-D228 PolarHBondContact NE-OD1 3.19Å; R185-D228 IonicContact NE-OD2 3.12Å; R185-D228 PolarHBondContact NE-OD2 2.7Å; R185-D228 IonicContact NH2-OD1 2.8Å; R185-D228 PolarHBondContact NH2-OD1 2.85Å; R185-D228 IonicContact NH2-OD2 3.32Å; N192-D228 PolarHBondContact ND2-OD1 2.73Å; N192-D228 PolarHBondContact ND2-OD2 2.66Å; N192-D228 VanDerWaalsContact OD1-CG 3.31Å; N192-D228 PolarHBondContact OD1-OD1 3.09Å; R225-D228 HydrophobicContact CG-CB 4.49Å; R225-D228 IonicContact CZ-OD2 3.48Å; R225-D228 IonicContact NE-OD2 3.99Å; R225-D228 PolarHBondContact NE-OD2 2.79Å; R225-D228 IonicContact NH2-OD2 3.53Å; R225-D228 PolarHBondContact NH2-OD2 2.76Å
229	G	88.8	Confident	93.8	Very high	44 Å²	44	38.5 Å²	38.5	45%	0.454	21%	0.209	S	C	.	.	S	Bend	trans	177.2	-169	-176.5	0	0	0	0	0	112.6	L227 V231	L227-G229 PolarHBondContact O-N 3.46Å; L227-G229 VanDerWaalsContact O-N 3.1Å; G229-V231 PolarHBondContact O-N 3.14Å
230	E	89.8	Confident	93.7	Very high	173 Å²	173	38.5 Å²	38.5	81%	0.808	21%	0.209	S	C	*	.			trans	-68	120.7	174.2	-68.9	-175.7	169.9	0	0	110.5
231	V	90.1	Very high	93.6	Very high	60 Å²	60	35.9 Å²	35.9	36%	0.364	21%	0.21	S	C	.	.			trans	-93.1	115.9	176.6	-173.1	0	0	0	0	108.4	M226 L227 G229 E236	M226-V231 HydrophobicContact CE-CG1 4.13Å; L227-V231 HydrophobicContact CD2-CG2 4Å; G229-V231 PolarHBondContact O-N 3.14Å; V231-E236 HydrophobicContact CG1-CG 3.73Å
232	T	89.1	Confident	93.5	Very high	67 Å²	67	36.8 Å²	36.8	41%	0.411	22%	0.215	S	C	.	.			trans	-121.1	162.5	178	63	0	0	0	0	109.8	A234 V235 E236	T232-A234 PolarHBondContact O-N 3.37Å; T232-V235 WeakPolarHBondContact O-CA 3.22Å; T232-V235 WeakPolarHBondContact O-CB 3.3Å; T232-V235 PolarHBondContact O-N 2.99Å; T232-V235 WeakPolarHBondContact OG1-CG2 3.36Å; T232-V235 PolarHBondContact OG1-N 2.75Å; T232-E236 PolarHBondContact O-N 2.79Å
233	D	88.9	Confident	93.5	Very high	42 Å²	42	40.3 Å²	40.3	23%	0.225	23%	0.234	C	C	.	.	H	α-helix	trans	-49.3	-37.4	175.7	-175.6	26.8	0	0	0	112.6	A237 A267 R268 L269 A270	D233-A237 VanDerWaalsContact O-CB 3.23Å; D233-A237 WeakPolarHBondContact O-CB 3.45Å; D233-A237 PolarHBondContact O-N 2.85Å; D233-A267 HydrophobicContact CB-CB 3.84Å; D233-A267 WeakPolarHBondContact OD1-CB 3.27Å; D233-R268 PolarHBondContact OD2-N 3.39Å; D233-L269 WeakPolarHBondContact OD1-CB 3.4Å; D233-L269 PolarHBondContact OD1-N 3.48Å; D233-L269 VanDerWaalsContact OD1-N 3.11Å; D233-L269 WeakPolarHBondContact OD2-CB 3.31Å; D233-L269 WeakPolarHBondContact OD2-CG 3.39Å; D233-L269 PolarHBondContact OD2-N 2.75Å; D233-A270 PolarHBondContact OD1-N 3.27Å
234	A	83.7	Confident	93.4	Very high	56 Å²	56	42.3 Å²	42.3	46%	0.463	25%	0.247	S	C	.	.	H	α-helix	trans	-70.5	-36	177.1	0	0	0	0	0	113.6	T232 R238 L269	T232-A234 PolarHBondContact O-N 3.37Å; A234-R238 VanDerWaalsContact O-CB 3.27Å; A234-R238 WeakPolarHBondContact O-CB 3.48Å; A234-R238 PolarHBondContact O-N 2.88Å; A234-L269 HydrophobicContact CB-CD1 4.26Å
235	V	88.8	Confident	93.3	Very high	21 Å²	21	48 Å²	48	13%	0.127	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-46.3	176	166.6	0	0	0	0	109.8	V175 M226 T232 R238 S239	V175-V235 HydrophobicContact CG1-CB 4.16Å; V175-V235 HydrophobicContact CG1-CG1 3.81Å; V175-V235 HydrophobicContact CG1-CG2 4.1Å; M226-V235 HydrophobicContact CB-CG1 3.85Å; M226-V235 HydrophobicContact CE-CG1 4.39Å; T232-V235 WeakPolarHBondContact O-CA 3.22Å; T232-V235 WeakPolarHBondContact O-CB 3.3Å; T232-V235 PolarHBondContact O-N 2.99Å; T232-V235 WeakPolarHBondContact OG1-CG2 3.36Å; T232-V235 PolarHBondContact OG1-N 2.75Å; V235-R238 PolarHBondContact O-N 3Å; V235-S239 WeakPolarHBondContact O-CB 3.46Å; V235-S239 PolarHBondContact O-N 2.94Å; V235-S239 PolarHBondContact O-OG 3.34Å
236	E	94.3	Very high	93.3	Very high	23 Å²	23	50.3 Å²	50.3	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-51.9	176.9	-66	170	165.7	0	0	111	M226 V231 T232 R238 S239 L240 W254 A270 Y308	M226-E236 HydrophobicContact CE-CG 4.38Å; V231-E236 HydrophobicContact CG1-CG 3.73Å; T232-E236 PolarHBondContact O-N 2.79Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.13Å; E236-S239 WeakPolarHBondContact O-CB 3.47Å; E236-S239 PolarHBondContact O-N 3.19Å; E236-S239 VanDerWaalsContact O-N 3.08Å; E236-L240 WeakPolarHBondContact O-CB 3.36Å; E236-L240 WeakPolarHBondContact O-CG 3.36Å; E236-L240 PolarHBondContact O-N 3.33Å; E236-W254 HydrophobicContact CB-CH2 4.16Å; E236-W254 HydrophobicContact CG-CH2 3.98Å; E236-W254 HydrophobicContact CG-CZ3 3.91Å; E236-A270 HydrophobicContact CB-CB 4.12Å; E236-Y308 PolarHBondContact OE1-OH 2.9Å; E236-Y308 PolarHBondContact OE2-OH 2.93Å
237	A	91.8	Very high	93.4	Very high	18 Å²	18	50.3 Å²	50.3	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-40.7	-179.9	0	0	0	0	0	113	D233 S239 G241 L269 A273	D233-A237 VanDerWaalsContact O-CB 3.23Å; D233-A237 WeakPolarHBondContact O-CB 3.45Å; D233-A237 PolarHBondContact O-N 2.85Å; A237-S239 VanDerWaalsContact C-N 3.35Å; A237-G241 PolarHBondContact O-N 2.96Å; A237-L269 HydrophobicContact CB-CB 3.59Å; A237-L269 WeakPolarHBondContact CB-O 3.32Å; A237-A273 HydrophobicContact CB-CB 4.1Å
238	R	92.1	Very high	93.6	Very high	118 Å²	118	49.3 Å²	49.3	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-37.5	176.6	-174.2	174.2	-179.2	178.4	-0	111.8	F173 V175 A234 V235 E236 L242	F173-R238 VanDerWaalsContact CE1-NH2 3.26Å; F173-R238 VanDerWaalsContact CZ-NH2 3.27Å; V175-R238 HydrophobicContact CG2-CG 4.42Å; A234-R238 VanDerWaalsContact O-CB 3.27Å; A234-R238 WeakPolarHBondContact O-CB 3.48Å; A234-R238 PolarHBondContact O-N 2.88Å; V235-R238 PolarHBondContact O-N 3Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.13Å; R238-L242 PolarHBondContact O-N 3.3Å
239	S	97.2	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-49.1	178.7	-56.6	0	0	0	0	111.4	M226 V235 E236 A237 G241 L242	M226-S239 WeakPolarHBondContact CB-OG 3.44Å; M226-S239 WeakPolarHBondContact CG-OG 3.37Å; V235-S239 WeakPolarHBondContact O-CB 3.46Å; V235-S239 PolarHBondContact O-N 2.94Å; V235-S239 PolarHBondContact O-OG 3.34Å; E236-S239 WeakPolarHBondContact O-CB 3.47Å; E236-S239 PolarHBondContact O-N 3.19Å; E236-S239 VanDerWaalsContact O-N 3.08Å; A237-S239 VanDerWaalsContact C-N 3.35Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact O-N 2.81Å; S239-L242 WeakPolarHBondContact O-CB 3.37Å; S239-L242 PolarHBondContact O-N 3.15Å
240	L	96.4	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-34.5	175.9	-69.9	169.9	0	0	0	112.5	L152 E236 A270 A273 F274 F289 W291	L152-L240 HydrophobicContact CD1-CD2 3.9Å; E236-L240 WeakPolarHBondContact O-CB 3.36Å; E236-L240 WeakPolarHBondContact O-CG 3.36Å; E236-L240 PolarHBondContact O-N 3.33Å; L240-A270 HydrophobicContact CD1-CB 4.21Å; L240-A273 HydrophobicContact CB-CB 3.96Å; L240-A273 HydrophobicContact CD1-CB 4.41Å; L240-F274 HydrophobicContact CD1-CD1 4.34Å; L240-F274 HydrophobicContact CD1-CD2 4.14Å; L240-F274 HydrophobicContact CD1-CE1 4.04Å; L240-F274 HydrophobicContact CD1-CE2 3.81Å; L240-F274 HydrophobicContact CD1-CG 4.39Å; L240-F274 HydrophobicContact CD1-CZ 3.76Å; L240-F274 HydrophobicContact CD2-CD1 4.23Å; L240-F274 HydrophobicContact CD2-CE1 3.57Å; L240-F274 HydrophobicContact CD2-CZ 3.86Å; L240-F274 HydrophobicContact CG-CE1 4.44Å; L240-F274 HydrophobicContact CG-CZ 4.49Å; L240-F289 HydrophobicContact CB-CE1 4.38Å; L240-F289 HydrophobicContact CD2-CD1 3.85Å; L240-F289 HydrophobicContact CD2-CE1 3.77Å; L240-W291 HydrophobicContact CD2-CH2 3.87Å; L240-W291 HydrophobicContact CD2-CZ3 3.93Å
241	G	96.6	Very high	94.8	Very high	37 Å²	37	37.9 Å²	37.9	38%	0.381	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	8.3	-179.9	0	0	0	0	0	115.3	A237 S239 N243 P244	A237-G241 PolarHBondContact O-N 2.96Å; S239-G241 VanDerWaalsContact C-N 3.27Å; S239-G241 PolarHBondContact O-N 2.81Å; G241-N243 PolarHBondContact O-N 2.85Å; G241-P244 WeakPolarHBondContact O-CD 3.31Å
242	L	97.8	Very high	95.2	Very high	20 Å²	20	35.1 Å²	35.1	11%	0.105	20%	0.2	C	C	.	.	S	Bend	trans	-68.2	122.8	-178.2	179.8	67.2	0	0	0	110.8	F173 V224 R238 S239 I247 Y250	F173-L242 HydrophobicContact CB-CD1 3.86Å; F173-L242 HydrophobicContact CB-CD2 3.71Å; F173-L242 HydrophobicContact CB-CG 4.46Å; F173-L242 HydrophobicContact CG-CD1 4.3Å; V224-L242 HydrophobicContact CG2-CD2 3.32Å; R238-L242 PolarHBondContact O-N 3.3Å; S239-L242 WeakPolarHBondContact O-CB 3.37Å; S239-L242 PolarHBondContact O-N 3.15Å; L242-I247 HydrophobicContact CB-CD1 4.4Å; L242-I247 HydrophobicContact CD2-CD1 4.06Å; L242-I247 HydrophobicContact CG-CD1 4.07Å; L242-I247 WeakPolarHBondContact O-CD1 3.4Å; L242-Y250 PolarHBondContact O-OH 2.84Å
243	N	97.9	Very high	95.4	Very high	74 Å²	74	33.3 Å²	33.3	40%	0.396	19%	0.19	S	C	.	.	S	Bend	trans	40.5	54.3	170.3	-60.2	-18.6	0	0	0	115.6	G170 G241 N245 H246 I247	G170-N243 PolarHBondContact O-ND2 2.71Å; G241-N243 PolarHBondContact O-N 2.85Å; N243-N245 PolarHBondContact O-N 2.88Å; N243-H246 HydrophobicContact CB-CB 4.23Å; N243-H246 PolarHBondContact O-N 2.94Å; N243-I247 HydrophobicContact CB-CD1 4.3Å; N243-I247 HydrophobicContact CB-CG1 4.36Å; N243-I247 PolarHBondContact O-N 3.1Å
244	P	96.6	Very high	95.7	Very high	41 Å²	41	32.5 Å²	32.5	27%	0.266	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.8	-168.2	30.1	-37.7	0	0	0	114.6	G241 Y250 G281 R282	G241-P244 WeakPolarHBondContact O-CD 3.31Å; P244-Y250 WeakPolarHBondContact CA-OH 3.37Å; P244-G281 CarbonylContact O-C 3.58Å; P244-G281 WeakPolarHBondContact O-CA 3.29Å; P244-R282 PolarHBondContact O-N 3.29Å
245	N	97.4	Very high	96.2	Very high	120 Å²	120	31.5 Å²	31.5	64%	0.642	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-4	172.6	-71.2	-36.9	0	0	0	113.4	N243 G283	N243-N245 PolarHBondContact O-N 2.88Å; N245-G283 PolarHBondContact OD1-N 3.25Å
246	H	98.4	Very high	96.4	Very high	58 Å²	58	31.6 Å²	31.6	27%	0.269	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-46.7	176.5	178	85.6	0	0	0	111.4	V148 D168 G170 R220 N243 H248	V148-H246 WeakPolarHBondContact CB-O 3.5Å; D168-H246 IonicContact OD1-CE1 3.13Å; D168-H246 IonicContact OD1-NE2 2.71Å; D168-H246 PolarHBondContact OD1-NE2 2.85Å; D168-H246 IonicContact OD2-CD2 3.29Å; D168-H246 IonicContact OD2-CE1 2.84Å; D168-H246 PolarHBondContact OD2-CE1 3.01Å; D168-H246 VanDerWaalsContact OD2-CE1 3.29Å; D168-H246 IonicContact OD2-NE2 2.71Å; D168-H246 PolarHBondContact OD2-NE2 3.2Å; G170-H246 VanDerWaalsContact C-CD2 3.4Å; G170-H246 PolarHBondContact O-CD2 2.77Å; R220-H246 PolarHBondContact NH1-CE1 3.17Å; N243-H246 HydrophobicContact CB-CB 4.23Å; N243-H246 PolarHBondContact O-N 2.94Å; H246-H248 PolarHBondContact O-CE1 3.16Å; H246-H248 PolarHBondContact O-ND1 3.41Å
247	I	98.8	Very high	96.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.			trans	-78.3	131.9	177	-56.8	175	0	0	0	108.6	V148 A171 L242 N243 I249 Y250	V148-I247 HydrophobicContact CG1-CG1 4.39Å; A171-I247 HydrophobicContact CB-CD1 4.3Å; A171-I247 HydrophobicContact CB-CG1 4Å; L242-I247 HydrophobicContact CB-CD1 4.4Å; L242-I247 HydrophobicContact CD2-CD1 4.06Å; L242-I247 HydrophobicContact CG-CD1 4.07Å; L242-I247 WeakPolarHBondContact O-CD1 3.4Å; N243-I247 HydrophobicContact CB-CD1 4.3Å; N243-I247 HydrophobicContact CB-CG1 4.36Å; N243-I247 PolarHBondContact O-N 3.1Å; I247-I249 WeakPolarHBondContact CG2-O 3.41Å; I247-Y250 HydrophobicContact CB-CE1 4.17Å; I247-Y250 HydrophobicContact CB-CE2 4.19Å; I247-Y250 HydrophobicContact CD1-CE1 3.9Å; I247-Y250 HydrophobicContact CG2-CD1 4.09Å; I247-Y250 HydrophobicContact CG2-CD2 4.12Å; I247-Y250 HydrophobicContact CG2-CE1 3.76Å; I247-Y250 HydrophobicContact CG2-CE2 3.75Å; I247-Y250 HydrophobicContact CG2-CG 4.28Å
248	H	98.9	Very high	96.5	Very high	37 Å²	37	38.8 Å²	38.8	17%	0.171	21%	0.212	C	C	.	.			trans	-96	-42.1	179.5	-56.6	79.9	0	0	0	111.5	I147 V148 H246 R282 I288 L382	I147-H248 HydrophobicContact CG2-CB 4.09Å; V148-H248 WeakPolarHBondContact CB-ND1 3.28Å; V148-H248 PolarHBondContact N-ND1 3.11Å; V148-H248 WeakPolarHBondContact O-CB 3.44Å; V148-H248 PolarHBondContact O-N 2.87Å; H246-H248 PolarHBondContact O-CE1 3.16Å; H246-H248 PolarHBondContact O-ND1 3.41Å; H248-R282 HydrophobicContact CB-CG 4.45Å; H248-R282 WeakPolarHBondContact O-CD 3.46Å; H248-I288 PolarHBondContact O-N 2.94Å; H248-I288 VanDerWaalsContact O-N 3.14Å; H248-L382 HydrophobicContact CB-CD1 3.92Å
249	I	98.9	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.7	-171.4	-56.6	158.2	0	0	0	108.6	I147 V148 V149 S150 I247 I288 V290 A375 I378 A379 L382	I147-I249 HydrophobicContact CG2-CD1 3.99Å; V148-I249 PolarHBondContact O-N 2.86Å; V149-I249 CarbonylContact C-O 3.57Å; V149-I249 WeakPolarHBondContact CA-O 3.21Å; V149-I249 HydrophobicContact CG1-CB 4.2Å; V149-I249 HydrophobicContact CG1-CG2 4.22Å; V149-I249 HydrophobicContact CG2-CB 4.2Å; V149-I249 HydrophobicContact CG2-CD1 4.06Å; S150-I249 PolarHBondContact N-O 2.94Å; I247-I249 WeakPolarHBondContact CG2-O 3.41Å; I249-I288 CarbonylContact C-O 3.5Å; I249-I288 WeakPolarHBondContact CA-O 3.25Å; I249-I288 HydrophobicContact CG1-CB 4.25Å; I249-I288 HydrophobicContact CG1-CD1 4.42Å; I249-V290 HydrophobicContact CG2-CG2 3.88Å; I249-A375 HydrophobicContact CG2-CB 3.96Å; I249-I378 HydrophobicContact CD1-CB 4.17Å; I249-I378 HydrophobicContact CD1-CG2 3.58Å; I249-I378 HydrophobicContact CG1-CG2 3.91Å; I249-A379 HydrophobicContact CD1-CB 3.77Å; I249-L382 HydrophobicContact CD1-CD1 4.02Å; I249-L382 HydrophobicContact CG1-CD1 4.02Å
250	Y	98.9	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.3	173	-60	-98.6	0	0	0	107.7	S150 L152 L242 P244 I247 I288 F289 V290	S150-Y250 WeakPolarHBondContact O-CA 3.25Å; L152-Y250 HydrophobicContact CD1-CD1 4.07Å; L152-Y250 HydrophobicContact CD2-CD1 4.09Å; L152-Y250 HydrophobicContact CG-CD1 4.29Å; L242-Y250 PolarHBondContact O-OH 2.84Å; P244-Y250 WeakPolarHBondContact CA-OH 3.37Å; I247-Y250 HydrophobicContact CB-CE1 4.17Å; I247-Y250 HydrophobicContact CB-CE2 4.19Å; I247-Y250 HydrophobicContact CD1-CE1 3.9Å; I247-Y250 HydrophobicContact CG2-CD1 4.09Å; I247-Y250 HydrophobicContact CG2-CD2 4.12Å; I247-Y250 HydrophobicContact CG2-CE1 3.76Å; I247-Y250 HydrophobicContact CG2-CE2 3.75Å; I247-Y250 HydrophobicContact CG2-CG 4.28Å; Y250-I288 PolarHBondContact N-O 3.28Å; Y250-F289 HydrophobicContact CD1-CE1 4.46Å; Y250-F289 AromaticContact CD2-CD1 3.9Å; Y250-F289 HydrophobicContact CD2-CD1 3.9Å; Y250-F289 AromaticContact CD2-CE1 3.62Å; Y250-F289 HydrophobicContact CD2-CE1 3.62Å; Y250-F289 HydrophobicContact CD2-CZ 4.34Å; Y250-F289 HydrophobicContact CE2-CE1 4.14Å; Y250-F289 AromaticContact CG-CD1 3.92Å; Y250-F289 HydrophobicContact CG-CD1 3.92Å; Y250-F289 AromaticContact CG-CE1 3.81Å; Y250-F289 HydrophobicContact CG-CE1 3.81Å; Y250-V290 PolarHBondContact O-N 3.3Å
251	S	98.9	Very high	96.7	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.2	174.6	-171	0	0	0	0	108.8	S150 L152	S150-S251 PolarHBondContact O-N 3.14Å; L152-S251 PolarHBondContact N-O 3.03Å
252	A	97.3	Very high	96.6	Very high	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.1	178.5	0	0	0	0	0	110.5	L152 W254 V290 W291 A292	L152-A252 HydrophobicContact CB-CB 4.34Å; A252-W254 HydrophobicContact CB-CZ2 4.34Å; A252-V290 PolarHBondContact N-O 2.98Å; A252-W291 HydrophobicContact CB-CD2 3.86Å; A252-W291 HydrophobicContact CB-CE3 3.75Å; A252-W291 HydrophobicContact CB-CH2 3.5Å; A252-W291 VanDerWaalsContact CB-CH2 3.5Å; A252-W291 HydrophobicContact CB-CZ2 3.6Å; A252-W291 HydrophobicContact CB-CZ3 3.57Å; A252-W291 WeakPolarHBondContact O-CA 3.33Å; A252-A292 PolarHBondContact O-N 2.78Å; A252-A292 VanDerWaalsContact O-N 3.12Å
253	S	93.8	Very high	96.6	Very high	29 Å²	29	38.8 Å²	38.8	20%	0.203	21%	0.211	C	C	.	.			trans	-144.5	27.5	178.4	63.7	0	0	0	0	112.3	H194 S368	H194-S253 PolarHBondContact CE1-OG 3.39Å; H194-S253 VanDerWaalsContact CE1-OG 3.24Å; S253-S368 VanDerWaalsContact CB-CB 3.44Å; S253-S368 VanDerWaalsContact OG-CB 3.3Å; S253-S368 WeakPolarHBondContact OG-CB 3.11Å
254	W	95.1	Very high	96.5	Very high	25 Å²	25	40 Å²	40	10%	0.095	22%	0.217	C	C	.	.			trans	-107	160.7	174.1	46.3	-95.5	0	0	0	109.4	L152 M226 L227 E236 A252 W291 Y308	L152-W254 HydrophobicContact CD1-CZ2 4.47Å; L152-W254 PolarHBondContact O-NE1 3.39Å; M226-W254 HydrophobicContact CE-CD2 4.26Å; M226-W254 HydrophobicContact CE-CH2 4.33Å; M226-W254 HydrophobicContact CE-CZ2 3.87Å; L227-W254 HydrophobicContact CD1-CB 4.15Å; L227-W254 HydrophobicContact CD1-CG 4.32Å; L227-W254 HydrophobicContact CD2-CB 4.04Å; L227-W254 HydrophobicContact CD2-CG 3.99Å; E236-W254 HydrophobicContact CB-CH2 4.16Å; E236-W254 HydrophobicContact CG-CH2 3.98Å; E236-W254 HydrophobicContact CG-CZ3 3.91Å; A252-W254 HydrophobicContact CB-CZ2 4.34Å; W254-W291 AromaticContact CD2-CZ2 3.9Å; W254-W291 HydrophobicContact CD2-CZ2 3.9Å; W254-W291 AromaticContact CE2-CZ2 3.81Å; W254-W291 AromaticContact CE3-CZ2 3.84Å; W254-W291 HydrophobicContact CE3-CZ2 3.84Å; W254-W291 AromaticContact CH2-CH2 3.56Å; W254-W291 HydrophobicContact CH2-CH2 3.56Å; W254-W291 AromaticContact CH2-CZ2 3.63Å; W254-W291 HydrophobicContact CH2-CZ2 3.63Å; W254-W291 AromaticContact CZ2-CH2 3.49Å; W254-W291 HydrophobicContact CZ2-CH2 3.49Å; W254-W291 VanDerWaalsContact CZ2-CH2 3.49Å; W254-W291 AromaticContact CZ2-CZ2 3.68Å; W254-W291 HydrophobicContact CZ2-CZ2 3.68Å; W254-W291 HydrophobicContact CZ3-CH2 4.14Å; W254-W291 AromaticContact CZ3-CZ2 3.72Å; W254-W291 HydrophobicContact CZ3-CZ2 3.72Å; W254-W291 PolarHBondContact O-NE1 3.14Å; W254-Y308 HydrophobicContact CE3-CE1 4.38Å; W254-Y308 HydrophobicContact CH2-CD1 4.35Å; W254-Y308 HydrophobicContact CH2-CE1 4.08Å; W254-Y308 AromaticContact CZ3-CD1 3.79Å; W254-Y308 HydrophobicContact CZ3-CD1 3.79Å; W254-Y308 AromaticContact CZ3-CE1 3.44Å; W254-Y308 HydrophobicContact CZ3-CE1 3.44Å; W254-Y308 VanDerWaalsContact CZ3-CE1 3.44Å; W254-Y308 HydrophobicContact CZ3-CE2 4.41Å; W254-Y308 HydrophobicContact CZ3-CG 4.45Å; W254-Y308 AromaticContact CZ3-CZ 3.78Å
255	G	94.7	Very high	96.5	Very high	35 Å²	35	38.5 Å²	38.5	36%	0.361	21%	0.21	S	C	.	.			trans	-179	-161.4	-176.5	0	0	0	0	0	108.9
256	P	93.7	Very high	96.4	Very high	24 Å²	24	34.1 Å²	34.1	16%	0.156	19%	0.188	C	C	.	.	S	Bend	trans	-59.8	172.2	169.9	-17.6	32.6	0	0	0	111.7	D258 T262 D264 D306	P256-D258 PolarHBondContact O-N 3.2Å; P256-T262 HydrophobicContact CB-CG2 3.72Å; P256-D264 HydrophobicContact CB-CB 4.08Å; P256-D264 HydrophobicContact CG-CB 3.89Å; P256-D264 VanDerWaalsContact CG-O 3.23Å; P256-D264 WeakPolarHBondContact CG-O 3.24Å; P256-D306 WeakPolarHBondContact CD-OD1 3.48Å; P256-D306 HydrophobicContact CG-CB 4.19Å
257	E	92.1	Very high	96	Very high	140 Å²	140	33.6 Å²	33.6	65%	0.654	19%	0.194	S	C	*	.			trans	-67.7	126.8	174.2	-166.6	172.4	-172.8	0	0	110.6	D259	E257-D259 HydrophobicContact CG-CB 4.07Å; E257-D259 PolarHBondContact O-N 2.83Å
258	D	95.8	Very high	95.7	Very high	52 Å²	52	42.5 Å²	42.5	28%	0.278	23%	0.228	S	C	.	.			trans	-76.2	53.2	-179.1	-67.1	-18.4	0	0	0	112.3	P256 N295 G296	P256-D258 PolarHBondContact O-N 3.2Å; D258-N295 WeakPolarHBondContact OD2-CA 3.46Å; D258-N295 WeakPolarHBondContact OD2-CB 3.43Å; D258-N295 PolarHBondContact OD2-N 3.05Å; D258-G296 WeakPolarHBondContact O-CA 3.5Å
259	D	96	Very high	95.1	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.107	24%	0.238	C	C	.	.	S	Bend	trans	-104.4	2.5	-168.9	60.5	19.1	0	0	0	114.6	E257 K261 T262	E257-D259 HydrophobicContact CG-CB 4.07Å; E257-D259 PolarHBondContact O-N 2.83Å; D259-K261 HydrophobicContact CB-CG 4.11Å; D259-K261 PolarHBondContact O-N 2.99Å; D259-K261 WeakPolarHBondContact OD1-CG 3.34Å; D259-K261 PolarHBondContact OD1-N 2.99Å; D259-K261 WeakPolarHBondContact OD2-CE 3.39Å; D259-K261 WeakPolarHBondContact OD2-CG 3.02Å; D259-K261 IonicContact OD2-NZ 3.54Å; D259-T262 WeakPolarHBondContact OD1-CB 3.27Å; D259-T262 PolarHBondContact OD1-N 2.8Å; D259-T262 PolarHBondContact OD1-OG1 2.94Å; D259-T262 VanDerWaalsContact OD1-OG1 3.05Å; D259-T262 PolarHBondContact OD2-OG1 2.71Å
260	G	96.4	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	71.8	11.6	-179.5	0	0	0	0	0	114.4	D301 R519 D522	G260-D301 VanDerWaalsContact CA-CG 3.41Å; G260-D301 PolarHBondContact N-OD2 2.9Å; G260-R519 WeakPolarHBondContact O-CB 3.45Å; G260-D522 PolarHBondContact O-N 2.83Å
261	K	96.6	Very high	94.3	Very high	83 Å²	83	47.8 Å²	47.8	36%	0.361	25%	0.254	S	S	.	.	S	Bend	trans	-134.8	-26.2	-179	57.8	175.7	-177.7	-176.1	0	113.7	D259 R498 R519 D522	D259-K261 HydrophobicContact CB-CG 4.11Å; D259-K261 PolarHBondContact O-N 2.99Å; D259-K261 WeakPolarHBondContact OD1-CG 3.34Å; D259-K261 PolarHBondContact OD1-N 2.99Å; D259-K261 WeakPolarHBondContact OD2-CE 3.39Å; D259-K261 WeakPolarHBondContact OD2-CG 3.02Å; D259-K261 IonicContact OD2-NZ 3.54Å; K261-R498 PolarHBondContact O-NH2 2.78Å; K261-R519 PolarHBondContact O-NH2 2.74Å; K261-R519 VanDerWaalsContact O-NH2 3.16Å; K261-D522 HydrophobicContact CB-CB 4.19Å
262	T	95.4	Very high	94	Very high	40 Å²	40	51.5 Å²	51.5	25%	0.245	27%	0.271	C	S	.	.			trans	-72.9	145.5	-177.2	-62.4	0	0	0	0	111.4	P256 D259 D264 R519	P256-T262 HydrophobicContact CB-CG2 3.72Å; D259-T262 WeakPolarHBondContact OD1-CB 3.27Å; D259-T262 PolarHBondContact OD1-N 2.8Å; D259-T262 PolarHBondContact OD1-OG1 2.94Å; D259-T262 VanDerWaalsContact OD1-OG1 3.05Å; D259-T262 PolarHBondContact OD2-OG1 2.71Å; T262-D264 HydrophobicContact CG2-CB 4.08Å; T262-R519 PolarHBondContact O-NH1 3.28Å; T262-R519 PolarHBondContact O-NH2 3.16Å
263	V	97.9	Very high	94	Very high	32 Å²	32	51.9 Å²	51.9	19%	0.194	27%	0.274	C	S	.	.			trans	-135.6	106.2	169.6	177.6	0	0	0	0	105.2	C305 R498 R519 F528 W531	V263-C305 WeakPolarHBondContact CA-O 3.19Å; V263-C305 HydrophobicContact CG2-CB 4.05Å; V263-R498 VanDerWaalsContact CG2-CZ 3.41Å; V263-R519 VanDerWaalsContact CG2-NH2 3.28Å; V263-F528 HydrophobicContact CG1-CD1 4.16Å; V263-F528 HydrophobicContact CG1-CE1 3.95Å; V263-F528 HydrophobicContact CG2-CE1 3.78Å; V263-F528 HydrophobicContact CG2-CZ 4.43Å; V263-W531 HydrophobicContact CG1-CD2 3.74Å; V263-W531 HydrophobicContact CG1-CE3 3.66Å; V263-W531 HydrophobicContact CG1-CH2 3.81Å; V263-W531 HydrophobicContact CG1-CZ2 3.88Å; V263-W531 HydrophobicContact CG1-CZ3 3.69Å
264	D	95.9	Very high	94.2	Very high	98 Å²	98	50.5 Å²	50.5	52%	0.524	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-156.6	162.6	-176.6	-157	2.4	0	0	0	110.5	P256 T262 C305 G307 W531	P256-D264 HydrophobicContact CB-CB 4.08Å; P256-D264 HydrophobicContact CG-CB 3.89Å; P256-D264 VanDerWaalsContact CG-O 3.23Å; P256-D264 WeakPolarHBondContact CG-O 3.24Å; T262-D264 HydrophobicContact CG2-CB 4.08Å; D264-C305 PolarHBondContact N-O 3.47Å; D264-G307 PolarHBondContact O-N 3.09Å; D264-W531 WeakPolarHBondContact O-CH2 3.16Å
265	G	95.6	Very high	94.3	Very high	11 Å²	11	54.6 Å²	54.6	11%	0.113	28%	0.283	C	S	.	.			trans	-163	-172.3	-174.4	0	0	0	0	0	112.6	A267	G265-A267 PolarHBondContact O-N 2.99Å
266	P	94.5	Very high	94.3	Very high	27 Å²	27	60.3 Å²	60.3	18%	0.175	29%	0.294	C	S	.	.			trans	-58.4	126.7	178	24.4	-33.1	0	0	0	110.1	A270 E271 F274 G307 Y308	P266-A270 HydrophobicContact CB-CB 3.68Å; P266-E271 HydrophobicContact CB-CB 4.37Å; P266-F274 HydrophobicContact CB-CD2 4.34Å; P266-F274 HydrophobicContact CB-CE2 4.11Å; P266-F274 HydrophobicContact CG-CD2 4.43Å; P266-F274 HydrophobicContact CG-CE2 4.25Å; P266-G307 VanDerWaalsContact CD-C 3.42Å; P266-G307 WeakPolarHBondContact CD-O 3.46Å; P266-Y308 HydrophobicContact CB-CD1 4.24Å; P266-Y308 HydrophobicContact CB-CE1 3.74Å; P266-Y308 HydrophobicContact CG-CD1 4.46Å; P266-Y308 HydrophobicContact CG-CE1 4.39Å
267	A	90.8	Very high	94.5	Very high	48 Å²	48	59.4 Å²	59.4	40%	0.397	29%	0.289	S	S	.	.			trans	-70.7	-173.3	167.4	0	0	0	0	0	110.1	D233 G265 L269 A270 E271	D233-A267 HydrophobicContact CB-CB 3.84Å; D233-A267 WeakPolarHBondContact OD1-CB 3.27Å; G265-A267 PolarHBondContact O-N 2.99Å; A267-L269 PolarHBondContact O-N 2.88Å; A267-A270 PolarHBondContact O-N 3.18Å; A267-E271 WeakPolarHBondContact O-CB 3.33Å; A267-E271 PolarHBondContact O-N 2.86Å
268	R	92.4	Very high	94.7	Very high	187 Å²	187	52.9 Å²	52.9	71%	0.706	26%	0.259	S	S	*	.	H	α-helix	trans	-58.9	-46.5	-167.8	-178.8	-174.1	166.4	128	8.4	112.6	D233 E272	D233-R268 PolarHBondContact OD2-N 3.39Å; R268-E272 IonicContact CZ-OE1 3.28Å; R268-E272 VanDerWaalsContact CZ-OE1 3.25Å; R268-E272 IonicContact NE-OE1 3.71Å; R268-E272 PolarHBondContact NE-OE1 2.84Å; R268-E272 IonicContact NH2-OE1 2.58Å; R268-E272 PolarHBondContact NH2-OE1 2.81Å; R268-E272 WeakPolarHBondContact O-CB 3.41Å; R268-E272 WeakPolarHBondContact O-CG 3.18Å; R268-E272 PolarHBondContact O-N 3.16Å
269	L	87.1	Confident	94.6	Very high	75 Å²	75	52.8 Å²	52.8	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-73	-40.1	-173.9	-58.9	173	0	0	0	111.1	D233 A234 A237 A267 E272 A273	D233-L269 WeakPolarHBondContact OD1-CB 3.4Å; D233-L269 PolarHBondContact OD1-N 3.48Å; D233-L269 VanDerWaalsContact OD1-N 3.11Å; D233-L269 WeakPolarHBondContact OD2-CB 3.31Å; D233-L269 WeakPolarHBondContact OD2-CG 3.39Å; D233-L269 PolarHBondContact OD2-N 2.75Å; A234-L269 HydrophobicContact CB-CD1 4.26Å; A237-L269 HydrophobicContact CB-CB 3.59Å; A237-L269 WeakPolarHBondContact CB-O 3.32Å; A267-L269 PolarHBondContact O-N 2.88Å; L269-E272 PolarHBondContact O-N 2.86Å; L269-A273 WeakPolarHBondContact O-CB 3.48Å; L269-A273 PolarHBondContact O-N 3.42Å
270	A	90.9	Very high	94.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-43.9	175.5	0	0	0	0	0	111.7	D233 E236 L240 P266 A267 A273 F274	D233-A270 PolarHBondContact OD1-N 3.27Å; E236-A270 HydrophobicContact CB-CB 4.12Å; L240-A270 HydrophobicContact CD1-CB 4.21Å; P266-A270 HydrophobicContact CB-CB 3.68Å; A267-A270 PolarHBondContact O-N 3.18Å; A270-A273 WeakPolarHBondContact O-CB 3.4Å; A270-A273 PolarHBondContact O-N 3.1Å; A270-A273 VanDerWaalsContact O-N 3.13Å; A270-F274 WeakPolarHBondContact O-CD2 3.32Å; A270-F274 PolarHBondContact O-N 3.31Å
271	E	90.6	Very high	94.5	Very high	73 Å²	73	57.5 Å²	57.5	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-42.3	175.5	-178.7	64.8	-171.6	0	0	111.8	P266 A267 A273 F274 F275 Y313	P266-E271 HydrophobicContact CB-CB 4.37Å; A267-E271 WeakPolarHBondContact O-CB 3.33Å; A267-E271 PolarHBondContact O-N 2.86Å; E271-A273 VanDerWaalsContact C-N 3.28Å; E271-A273 PolarHBondContact O-N 3.47Å; E271-F274 PolarHBondContact O-N 3.23Å; E271-F275 PolarHBondContact O-N 2.9Å; E271-Y313 WeakPolarHBondContact OE1-CE2 3.42Å
272	E	92.1	Very high	94.6	Very high	81 Å²	81	54.7 Å²	54.7	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-36.6	172.3	-76.6	-179.4	-166	0	0	111.6	R268 L269 R276	R268-E272 IonicContact CZ-OE1 3.28Å; R268-E272 VanDerWaalsContact CZ-OE1 3.25Å; R268-E272 IonicContact NE-OE1 3.71Å; R268-E272 PolarHBondContact NE-OE1 2.84Å; R268-E272 IonicContact NH2-OE1 2.58Å; R268-E272 PolarHBondContact NH2-OE1 2.81Å; R268-E272 WeakPolarHBondContact O-CB 3.41Å; R268-E272 WeakPolarHBondContact O-CG 3.18Å; R268-E272 PolarHBondContact O-N 3.16Å; L269-E272 PolarHBondContact O-N 2.86Å; E272-R276 WeakPolarHBondContact O-CB 3.2Å; E272-R276 VanDerWaalsContact O-CG 3.24Å; E272-R276 WeakPolarHBondContact O-CG 3.23Å; E272-R276 PolarHBondContact O-N 3.12Å
273	A	96.4	Very high	94.6	Very high	9 Å²	9	56.1 Å²	56.1	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-42	176.9	0	0	0	0	0	112.1	A237 L240 L269 A270 E271 R276 G277	A237-A273 HydrophobicContact CB-CB 4.1Å; L240-A273 HydrophobicContact CB-CB 3.96Å; L240-A273 HydrophobicContact CD1-CB 4.41Å; L269-A273 WeakPolarHBondContact O-CB 3.48Å; L269-A273 PolarHBondContact O-N 3.42Å; A270-A273 WeakPolarHBondContact O-CB 3.4Å; A270-A273 PolarHBondContact O-N 3.1Å; A270-A273 VanDerWaalsContact O-N 3.13Å; E271-A273 VanDerWaalsContact C-N 3.28Å; E271-A273 PolarHBondContact O-N 3.47Å; A273-R276 PolarHBondContact O-N 2.88Å; A273-G277 PolarHBondContact O-N 3.22Å
274	F	98.2	Very high	94.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-52.4	171.6	-79.3	-57.7	0	0	0	111.2	L240 P266 A270 E271 R276 G277 V278 F289 W291 Y308 Y313 T314	L240-F274 HydrophobicContact CD1-CD1 4.34Å; L240-F274 HydrophobicContact CD1-CD2 4.14Å; L240-F274 HydrophobicContact CD1-CE1 4.04Å; L240-F274 HydrophobicContact CD1-CE2 3.81Å; L240-F274 HydrophobicContact CD1-CG 4.39Å; L240-F274 HydrophobicContact CD1-CZ 3.76Å; L240-F274 HydrophobicContact CD2-CD1 4.23Å; L240-F274 HydrophobicContact CD2-CE1 3.57Å; L240-F274 HydrophobicContact CD2-CZ 3.86Å; L240-F274 HydrophobicContact CG-CE1 4.44Å; L240-F274 HydrophobicContact CG-CZ 4.49Å; P266-F274 HydrophobicContact CB-CD2 4.34Å; P266-F274 HydrophobicContact CB-CE2 4.11Å; P266-F274 HydrophobicContact CG-CD2 4.43Å; P266-F274 HydrophobicContact CG-CE2 4.25Å; A270-F274 WeakPolarHBondContact O-CD2 3.32Å; A270-F274 PolarHBondContact O-N 3.31Å; E271-F274 PolarHBondContact O-N 3.23Å; F274-R276 VanDerWaalsContact C-N 3.35Å; F274-R276 PolarHBondContact O-N 3.25Å; F274-G277 WeakPolarHBondContact O-CA 3.46Å; F274-G277 PolarHBondContact O-N 3.28Å; F274-G277 VanDerWaalsContact O-N 3.1Å; F274-V278 WeakPolarHBondContact O-CG2 3.29Å; F274-V278 PolarHBondContact O-N 3.5Å; F274-F289 HydrophobicContact CD1-CD1 4.22Å; F274-F289 AromaticContact CD1-CD2 3.77Å; F274-F289 HydrophobicContact CD1-CD2 3.77Å; F274-F289 HydrophobicContact CD1-CE1 4.39Å; F274-F289 AromaticContact CD1-CE2 3.93Å; F274-F289 HydrophobicContact CD1-CE2 3.93Å; F274-F289 AromaticContact CD1-CG 3.93Å; F274-F289 HydrophobicContact CD1-CG 3.93Å; F274-F289 HydrophobicContact CD1-CZ 4.24Å; F274-F289 HydrophobicContact CE1-CB 4.17Å; F274-F289 HydrophobicContact CE1-CD1 4.02Å; F274-F289 HydrophobicContact CE1-CD2 4.2Å; F274-F289 HydrophobicContact CE1-CE1 4.49Å; F274-F289 AromaticContact CE1-CG 3.87Å; F274-F289 HydrophobicContact CE1-CG 3.87Å; F274-W291 HydrophobicContact CE1-CE3 4.4Å; F274-W291 HydrophobicContact CE1-CH2 4.17Å; F274-W291 AromaticContact CE1-CZ3 3.71Å; F274-W291 HydrophobicContact CE1-CZ3 3.71Å; F274-W291 HydrophobicContact CZ-CE3 4.4Å; F274-W291 AromaticContact CZ-CH2 3.7Å; F274-W291 HydrophobicContact CZ-CH2 3.7Å; F274-W291 HydrophobicContact CZ-CZ2 4.44Å; F274-W291 AromaticContact CZ-CZ3 3.68Å; F274-W291 HydrophobicContact CZ-CZ3 3.68Å; F274-Y308 AromaticContact CE2-CD1 3.88Å; F274-Y308 HydrophobicContact CE2-CD1 3.88Å; F274-Y308 HydrophobicContact CE2-CE1 4.32Å; F274-Y308 HydrophobicContact CZ-CD1 4.04Å; F274-Y313 HydrophobicContact CB-CD2 3.64Å; F274-Y313 HydrophobicContact CB-CE2 4.43Å; F274-Y313 HydrophobicContact CB-CG 4.19Å; F274-Y313 HydrophobicContact CG-CD2 4.46Å; F274-T314 HydrophobicContact CD1-CG2 4.43Å; F274-T314 HydrophobicContact CE1-CG2 3.69Å; F274-T314 HydrophobicContact CZ-CG2 3.92Å
275	F	96.8	Very high	94.6	Very high	112 Å²	112	54.2 Å²	54.2	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-44.8	-179.9	179.1	-104.5	0	0	0	112.1	E271 V278 S279 Y313	E271-F275 PolarHBondContact O-N 2.9Å; F275-V278 WeakPolarHBondContact O-CG2 3.4Å; F275-S279 WeakPolarHBondContact O-CB 3.35Å; F275-S279 PolarHBondContact O-N 3.3Å; F275-S279 PolarHBondContact O-OG 3.49Å; F275-Y313 HydrophobicContact CB-CE2 4.49Å
276	R	94.6	Very high	94.7	Very high	154 Å²	154	53.7 Å²	53.7	58%	0.581	29%	0.287	S	S	*	.	H	α-helix	trans	-64.3	-40.2	175.3	-74.2	178.1	67.7	-156.7	-1.8	111.9	E272 A273 F274 S279 Q280	E272-R276 WeakPolarHBondContact O-CB 3.2Å; E272-R276 VanDerWaalsContact O-CG 3.24Å; E272-R276 WeakPolarHBondContact O-CG 3.23Å; E272-R276 PolarHBondContact O-N 3.12Å; A273-R276 PolarHBondContact O-N 2.88Å; F274-R276 VanDerWaalsContact C-N 3.35Å; F274-R276 PolarHBondContact O-N 3.25Å; R276-S279 PolarHBondContact O-N 2.93Å; R276-Q280 WeakPolarHBondContact O-CB 3.39Å; R276-Q280 PolarHBondContact O-N 3.38Å
277	G	97.8	Very high	94.9	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-57.8	-54.8	176.7	0	0	0	0	0	111.6	A273 F274 S279 G281 G286 S287	A273-G277 PolarHBondContact O-N 3.22Å; F274-G277 WeakPolarHBondContact O-CA 3.46Å; F274-G277 PolarHBondContact O-N 3.28Å; F274-G277 VanDerWaalsContact O-N 3.1Å; G277-S279 VanDerWaalsContact C-N 3.3Å; G277-S279 PolarHBondContact O-N 3.1Å; G277-G281 VanDerWaalsContact O-CA 3.26Å; G277-G281 WeakPolarHBondContact O-CA 3.48Å; G277-G281 PolarHBondContact O-N 3.09Å; G277-G286 WeakPolarHBondContact O-CA 3.07Å; G277-S287 PolarHBondContact O-N 3.35Å; G277-S287 PolarHBondContact O-OG 3.34Å
278	V	97.6	Very high	95.3	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.024	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-22.5	-179.2	-59.7	0	0	0	0	113.8	F274 F275 G286 F289 Y313 W390	F274-V278 WeakPolarHBondContact O-CG2 3.29Å; F274-V278 PolarHBondContact O-N 3.5Å; F275-V278 WeakPolarHBondContact O-CG2 3.4Å; V278-G286 WeakPolarHBondContact O-CA 3.43Å; V278-F289 HydrophobicContact CG1-CD2 4.15Å; V278-F289 HydrophobicContact CG1-CE2 4.05Å; V278-Y313 HydrophobicContact CB-CD1 4.3Å; V278-Y313 HydrophobicContact CG1-CD1 3.99Å; V278-Y313 HydrophobicContact CG1-CG 4.21Å; V278-Y313 HydrophobicContact CG2-CD1 3.51Å; V278-Y313 HydrophobicContact CG2-CE1 3.76Å; V278-Y313 HydrophobicContact CG2-CG 4.22Å; V278-W390 HydrophobicContact CB-CD2 3.91Å; V278-W390 HydrophobicContact CB-CG 3.93Å; V278-W390 HydrophobicContact CB-CZ2 4.39Å; V278-W390 HydrophobicContact CG1-CD2 3.98Å; V278-W390 HydrophobicContact CG1-CE3 4.29Å; V278-W390 HydrophobicContact CG1-CG 4.12Å; V278-W390 HydrophobicContact CG2-CZ2 4.38Å; V278-W390 VanDerWaalsContact O-CD1 3.26Å; V278-W390 PolarHBondContact O-NE1 2.71Å
279	S	92.6	Very high	95.6	Very high	50 Å²	50	41.5 Å²	41.5	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-91.1	-37.7	-178.3	-58.3	0	0	0	0	113.8	F275 R276 G277	F275-S279 WeakPolarHBondContact O-CB 3.35Å; F275-S279 PolarHBondContact O-N 3.3Å; F275-S279 PolarHBondContact O-OG 3.49Å; R276-S279 PolarHBondContact O-N 2.93Å; G277-S279 VanDerWaalsContact C-N 3.3Å; G277-S279 PolarHBondContact O-N 3.1Å
280	Q	94.5	Very high	96.2	Very high	118 Å²	118	37.9 Å²	37.9	55%	0.551	21%	0.209	S	C	*	.	H	α-helix	trans	-119.5	-22.3	-170.2	-59.2	174	11.7	0	0	112.8	R276 G284	R276-Q280 WeakPolarHBondContact O-CB 3.39Å; R276-Q280 PolarHBondContact O-N 3.38Å; Q280-G284 PolarHBondContact O-N 3.31Å
281	G	96.3	Very high	96.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61	156.5	178.3	0	0	0	0	0	112.4	P244 G277 G283 G284 L285 G286	P244-G281 CarbonylContact O-C 3.58Å; P244-G281 WeakPolarHBondContact O-CA 3.29Å; G277-G281 VanDerWaalsContact O-CA 3.26Å; G277-G281 WeakPolarHBondContact O-CA 3.48Å; G277-G281 PolarHBondContact O-N 3.09Å; G281-G283 PolarHBondContact O-N 3.05Å; G281-G284 PolarHBondContact O-N 3.32Å; G281-L285 PolarHBondContact O-N 3.32Å; G281-G286 WeakPolarHBondContact O-CA 3.13Å; G281-G286 PolarHBondContact O-N 2.92Å
282	R	97.7	Very high	96.9	Very high	23 Å²	23	34.6 Å²	34.6	9%	0.087	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	49.6	41.2	-176.7	-65.9	178.1	55.9	-147.1	-7.1	113.1	P244 H248 G284 L285 G286 K386 L388	P244-R282 PolarHBondContact O-N 3.29Å; H248-R282 HydrophobicContact CB-CG 4.45Å; H248-R282 WeakPolarHBondContact O-CD 3.46Å; R282-G284 VanDerWaalsContact C-N 3.3Å; R282-G284 PolarHBondContact O-N 3.43Å; R282-L285 HydrophobicContact CB-CB 4.07Å; R282-L285 PolarHBondContact O-N 3.36Å; R282-G286 WeakPolarHBondContact CD-O 3.41Å; R282-K386 PolarHBondContact NH2-O 2.77Å; R282-L388 PolarHBondContact NH1-O 2.91Å; R282-L388 PolarHBondContact NH2-O 3.05Å
283	G	95.8	Very high	97.2	Very high	70 Å²	70	30.8 Å²	30.8	72%	0.722	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	64.8	31.4	-179	0	0	0	0	0	114.1	N245 G281	N245-G283 PolarHBondContact OD1-N 3.25Å; G281-G283 PolarHBondContact O-N 3.05Å
284	G	96.6	Very high	97.2	Very high	45 Å²	45	30.7 Å²	30.7	46%	0.464	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	93.3	-2.3	-179.9	0	0	0	0	0	115.3	Q280 G281 R282 G286	Q280-G284 PolarHBondContact O-N 3.31Å; G281-G284 PolarHBondContact O-N 3.32Å; R282-G284 VanDerWaalsContact C-N 3.3Å; R282-G284 PolarHBondContact O-N 3.43Å; G284-G286 VanDerWaalsContact C-N 3.28Å
285	L	97.9	Very high	97.1	Very high	45 Å²	45	33 Å²	33	24%	0.236	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-23.6	171.2	-62.4	176.9	0	0	0	112.2	G281 R282 K386 N387 T389 W390	G281-L285 PolarHBondContact O-N 3.32Å; R282-L285 HydrophobicContact CB-CB 4.07Å; R282-L285 PolarHBondContact O-N 3.36Å; L285-K386 VanDerWaalsContact CD1-O 3.28Å; L285-K386 WeakPolarHBondContact CD1-O 3.3Å; L285-N387 WeakPolarHBondContact CD2-O 3.46Å; L285-T389 HydrophobicContact CD2-CG2 4.08Å; L285-T389 CarbonylContact O-C 3.58Å; L285-T389 WeakPolarHBondContact O-CA 3.31Å; L285-T389 WeakPolarHBondContact O-CB 2.95Å; L285-W390 PolarHBondContact O-N 3.49Å
286	G	98.5	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.166	C	C	.	.			trans	93.1	132.6	-179.1	0	0	0	0	0	113.4	G277 V278 G281 R282 G284	G277-G286 WeakPolarHBondContact O-CA 3.07Å; V278-G286 WeakPolarHBondContact O-CA 3.43Å; G281-G286 WeakPolarHBondContact O-CA 3.13Å; G281-G286 PolarHBondContact O-N 2.92Å; R282-G286 WeakPolarHBondContact CD-O 3.41Å; G284-G286 VanDerWaalsContact C-N 3.28Å
287	S	98.6	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	15%	0.147	C	C	.	.			trans	-56	142.1	167.4	-62.8	0	0	0	0	110.6	G277	G277-S287 PolarHBondContact O-N 3.35Å; G277-S287 PolarHBondContact O-OG 3.34Å
288	I	98.9	Very high	97.1	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.6	174.1	-55.8	177.8	0	0	0	108.2	H248 I249 Y250 V290 I378 L382 M393	H248-I288 PolarHBondContact O-N 2.94Å; H248-I288 VanDerWaalsContact O-N 3.14Å; I249-I288 CarbonylContact C-O 3.5Å; I249-I288 WeakPolarHBondContact CA-O 3.25Å; I249-I288 HydrophobicContact CG1-CB 4.25Å; I249-I288 HydrophobicContact CG1-CD1 4.42Å; Y250-I288 PolarHBondContact N-O 3.28Å; I288-V290 HydrophobicContact CG2-CG2 4.18Å; I288-I378 HydrophobicContact CD1-CG2 3.8Å; I288-I378 HydrophobicContact CG2-CD1 4.48Å; I288-I378 HydrophobicContact CG2-CG2 4.09Å; I288-L382 HydrophobicContact CD1-CD1 3.84Å; I288-L382 HydrophobicContact CD1-CD2 4.14Å; I288-L382 HydrophobicContact CD1-CG 4.13Å; I288-M393 HydrophobicContact CD1-CB 4.04Å; I288-M393 HydrophobicContact CD1-CE 3.92Å; I288-M393 HydrophobicContact CD1-CG 4.04Å
289	F	98.9	Very high	97.1	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.2	175.6	-59	-78.4	0	0	0	108.9	L240 Y250 F274 V278 W291 T314 L315	L240-F289 HydrophobicContact CB-CE1 4.38Å; L240-F289 HydrophobicContact CD2-CD1 3.85Å; L240-F289 HydrophobicContact CD2-CE1 3.77Å; Y250-F289 HydrophobicContact CD1-CE1 4.46Å; Y250-F289 AromaticContact CD2-CD1 3.9Å; Y250-F289 HydrophobicContact CD2-CD1 3.9Å; Y250-F289 AromaticContact CD2-CE1 3.62Å; Y250-F289 HydrophobicContact CD2-CE1 3.62Å; Y250-F289 HydrophobicContact CD2-CZ 4.34Å; Y250-F289 HydrophobicContact CE2-CE1 4.14Å; Y250-F289 AromaticContact CG-CD1 3.92Å; Y250-F289 HydrophobicContact CG-CD1 3.92Å; Y250-F289 AromaticContact CG-CE1 3.81Å; Y250-F289 HydrophobicContact CG-CE1 3.81Å; F274-F289 HydrophobicContact CD1-CD1 4.22Å; F274-F289 AromaticContact CD1-CD2 3.77Å; F274-F289 HydrophobicContact CD1-CD2 3.77Å; F274-F289 HydrophobicContact CD1-CE1 4.39Å; F274-F289 AromaticContact CD1-CE2 3.93Å; F274-F289 HydrophobicContact CD1-CE2 3.93Å; F274-F289 AromaticContact CD1-CG 3.93Å; F274-F289 HydrophobicContact CD1-CG 3.93Å; F274-F289 HydrophobicContact CD1-CZ 4.24Å; F274-F289 HydrophobicContact CE1-CB 4.17Å; F274-F289 HydrophobicContact CE1-CD1 4.02Å; F274-F289 HydrophobicContact CE1-CD2 4.2Å; F274-F289 HydrophobicContact CE1-CE1 4.49Å; F274-F289 AromaticContact CE1-CG 3.87Å; F274-F289 HydrophobicContact CE1-CG 3.87Å; V278-F289 HydrophobicContact CG1-CD2 4.15Å; V278-F289 HydrophobicContact CG1-CE2 4.05Å; F289-W291 HydrophobicContact CB-CE3 4.34Å; F289-W291 HydrophobicContact CB-CZ3 4.41Å; F289-T314 HydrophobicContact CB-CG2 4.08Å; F289-T314 CarbonylContact O-C 2.99Å; F289-T314 WeakPolarHBondContact O-CA 3.44Å; F289-L315 PolarHBondContact O-N 3.37Å
290	V	98.9	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.7	176.9	-174.2	0	0	0	0	108	I249 Y250 A252 I288 I317 A371 A374 A375 I378	I249-V290 HydrophobicContact CG2-CG2 3.88Å; Y250-V290 PolarHBondContact O-N 3.3Å; A252-V290 PolarHBondContact N-O 2.98Å; I288-V290 HydrophobicContact CG2-CG2 4.18Å; V290-I317 HydrophobicContact CG1-CG1 4.03Å; V290-A371 HydrophobicContact CG1-CB 4.16Å; V290-A371 WeakPolarHBondContact CG1-O 3.45Å; V290-A374 HydrophobicContact CG1-CB 4.02Å; V290-A375 HydrophobicContact CB-CB 4.38Å; V290-A375 HydrophobicContact CG2-CB 4.19Å; V290-I378 HydrophobicContact CG2-CD1 3.51Å
291	W	98.8	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.5	-172.1	-130.6	-91.3	0	0	0	111.8	L240 A252 W254 F274 F289 Y308 T314 L315 S316 I317	L240-W291 HydrophobicContact CD2-CH2 3.87Å; L240-W291 HydrophobicContact CD2-CZ3 3.93Å; A252-W291 HydrophobicContact CB-CD2 3.86Å; A252-W291 HydrophobicContact CB-CE3 3.75Å; A252-W291 HydrophobicContact CB-CH2 3.5Å; A252-W291 VanDerWaalsContact CB-CH2 3.5Å; A252-W291 HydrophobicContact CB-CZ2 3.6Å; A252-W291 HydrophobicContact CB-CZ3 3.57Å; A252-W291 WeakPolarHBondContact O-CA 3.33Å; W254-W291 AromaticContact CD2-CZ2 3.9Å; W254-W291 HydrophobicContact CD2-CZ2 3.9Å; W254-W291 AromaticContact CE2-CZ2 3.81Å; W254-W291 AromaticContact CE3-CZ2 3.84Å; W254-W291 HydrophobicContact CE3-CZ2 3.84Å; W254-W291 AromaticContact CH2-CH2 3.56Å; W254-W291 HydrophobicContact CH2-CH2 3.56Å; W254-W291 AromaticContact CH2-CZ2 3.63Å; W254-W291 HydrophobicContact CH2-CZ2 3.63Å; W254-W291 AromaticContact CZ2-CH2 3.49Å; W254-W291 HydrophobicContact CZ2-CH2 3.49Å; W254-W291 VanDerWaalsContact CZ2-CH2 3.49Å; W254-W291 AromaticContact CZ2-CZ2 3.68Å; W254-W291 HydrophobicContact CZ2-CZ2 3.68Å; W254-W291 HydrophobicContact CZ3-CH2 4.14Å; W254-W291 AromaticContact CZ3-CZ2 3.72Å; W254-W291 HydrophobicContact CZ3-CZ2 3.72Å; W254-W291 PolarHBondContact O-NE1 3.14Å; F274-W291 HydrophobicContact CE1-CE3 4.4Å; F274-W291 HydrophobicContact CE1-CH2 4.17Å; F274-W291 AromaticContact CE1-CZ3 3.71Å; F274-W291 HydrophobicContact CE1-CZ3 3.71Å; F274-W291 HydrophobicContact CZ-CE3 4.4Å; F274-W291 AromaticContact CZ-CH2 3.7Å; F274-W291 HydrophobicContact CZ-CH2 3.7Å; F274-W291 HydrophobicContact CZ-CZ2 4.44Å; F274-W291 AromaticContact CZ-CZ3 3.68Å; F274-W291 HydrophobicContact CZ-CZ3 3.68Å; F289-W291 HydrophobicContact CB-CE3 4.34Å; F289-W291 HydrophobicContact CB-CZ3 4.41Å; W291-Y308 HydrophobicContact CH2-CD1 4.32Å; W291-Y308 AromaticContact CZ2-CD1 3.8Å; W291-Y308 HydrophobicContact CZ2-CD1 3.8Å; W291-Y308 HydrophobicContact CZ2-CG 4.07Å; W291-T314 HydrophobicContact CB-CG2 4.4Å; W291-T314 HydrophobicContact CD2-CG2 3.99Å; W291-T314 HydrophobicContact CE3-CG2 3.55Å; W291-T314 HydrophobicContact CG-CG2 4.37Å; W291-T314 HydrophobicContact CZ3-CG2 4.16Å; W291-L315 PolarHBondContact N-O 3.38Å; W291-S316 CarbonylContact O-C 3.35Å; W291-S316 WeakPolarHBondContact O-CA 3.19Å; W291-I317 PolarHBondContact O-N 3.1Å
292	A	98.3	Very high	97.6	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.033	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.6	168	0	0	0	0	0	109.9	A252 G294 T367 A371	A252-A292 PolarHBondContact O-N 2.78Å; A252-A292 VanDerWaalsContact O-N 3.12Å; A292-G294 VanDerWaalsContact C-N 3.27Å; A292-G294 PolarHBondContact O-N 3.38Å; A292-T367 WeakPolarHBondContact CB-O 3.21Å; A292-A371 HydrophobicContact CB-CB 4.05Å
293	S	97.2	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.			trans	-81	9.3	-175.8	73.4	0	0	0	0	115.8	C303 I317 S318	S293-C303 WeakPolarHBondContact O-CB 3.18Å; S293-I317 PolarHBondContact N-O 3.32Å; S293-S318 WeakPolarHBondContact CB-OG 3.42Å; S293-S318 PolarHBondContact OG-OG 3.33Å
294	G	96.1	Very high	97.7	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	14%	0.138	C	C	.	.			trans	98.3	163.1	-179.1	0	0	0	0	0	115.4	A292 E331 T367	A292-G294 VanDerWaalsContact C-N 3.27Å; A292-G294 PolarHBondContact O-N 3.38Å; G294-E331 WeakPolarHBondContact CA-OE1 3.21Å; G294-T367 VanDerWaalsContact C-OG1 3.26Å; G294-T367 WeakPolarHBondContact O-CB 3.4Å; G294-T367 WeakPolarHBondContact O-CG2 3.4Å; G294-T367 PolarHBondContact O-OG1 3.12Å
295	N	97.2	Very high	97.8	Very high	50 Å²	50	24.2 Å²	24.2	27%	0.267	12%	0.117	S	C	.	.	S	Bend	trans	-121.2	14.6	-177.3	-63.6	-74.4	0	0	0	114.2	D258 G297 Y329 E331 G366 T367	D258-N295 WeakPolarHBondContact OD2-CA 3.46Å; D258-N295 WeakPolarHBondContact OD2-CB 3.43Å; D258-N295 PolarHBondContact OD2-N 3.05Å; N295-G297 VanDerWaalsContact C-N 3.28Å; N295-G297 PolarHBondContact O-N 3.44Å; N295-Y329 CarbonylContact C-O 3.31Å; N295-Y329 WeakPolarHBondContact CA-O 3.28Å; N295-Y329 WeakPolarHBondContact OD1-CD2 3.38Å; N295-E331 PolarHBondContact N-OE1 3.43Å; N295-G366 VanDerWaalsContact OD1-CA 3.28Å; N295-G366 WeakPolarHBondContact OD1-CA 3.37Å; N295-T367 PolarHBondContact ND2-OG1 3.38Å; N295-T367 PolarHBondContact OD1-N 2.68Å; N295-T367 PolarHBondContact OD1-OG1 3.18Å; N295-T367 VanDerWaalsContact OD1-OG1 3.09Å
296	G	97.3	Very high	97.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-81.9	11.6	-175	0	0	0	0	0	115.5	D258 R298 E299 H300 D301 Y329 E331	D258-G296 WeakPolarHBondContact O-CA 3.5Å; G296-R298 PolarHBondContact O-N 3.23Å; G296-R298 VanDerWaalsContact O-N 3.14Å; G296-E299 CarbonylContact O-C 3.52Å; G296-E299 WeakPolarHBondContact O-CA 3.4Å; G296-E299 PolarHBondContact O-N 3.06Å; G296-H300 PolarHBondContact O-N 2.98Å; G296-H300 VanDerWaalsContact O-N 3.14Å; G296-D301 PolarHBondContact O-N 3.21Å; G296-Y329 PolarHBondContact N-O 2.84Å; G296-E331 WeakPolarHBondContact CA-OE1 3.23Å; G296-E331 PolarHBondContact N-OE1 2.91Å
297	G	95.6	Very high	97.8	Very high	17 Å²	17	23.1 Å²	23.1	18%	0.175	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-56.9	-32.4	-177.2	0	0	0	0	0	114.3	N295 E299 H300 W328 Y329 S330	N295-G297 VanDerWaalsContact C-N 3.28Å; N295-G297 PolarHBondContact O-N 3.44Å; G297-E299 VanDerWaalsContact C-N 3.34Å; G297-H300 PolarHBondContact O-N 2.92Å; G297-W328 CarbonylContact C-O 3.57Å; G297-Y329 PolarHBondContact N-O 3.26Å; G297-S330 WeakPolarHBondContact CA-O 3.44Å
298	R	95.9	Very high	97.8	Very high	178 Å²	178	23.7 Å²	23.7	67%	0.672	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-67.7	-35.6	175	-175.3	-178.3	178.7	-172.8	-3.3	112.6	G296 H300 W328	G296-R298 PolarHBondContact O-N 3.23Å; G296-R298 VanDerWaalsContact O-N 3.14Å; R298-H300 PolarHBondContact O-N 3.32Å; R298-W328 HydrophobicContact CB-CE3 4.13Å; R298-W328 HydrophobicContact CB-CZ3 4.25Å; R298-W328 PolarHBondContact N-O 2.79Å
299	E	97.3	Very high	97.7	Very high	68 Å²	68	23.4 Å²	23.4	32%	0.318	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-87.3	8.6	178.5	-48.7	-50.6	134	0	0	111.2	G296 G297 D301 H521	G296-E299 CarbonylContact O-C 3.52Å; G296-E299 WeakPolarHBondContact O-CA 3.4Å; G296-E299 PolarHBondContact O-N 3.06Å; G297-E299 VanDerWaalsContact C-N 3.34Å; E299-D301 VanDerWaalsContact C-N 3.26Å; E299-D301 PolarHBondContact O-N 2.83Å; E299-H521 PolarHBondContact O-CD2 2.88Å; E299-H521 VanDerWaalsContact O-CD2 3.28Å; E299-H521 IonicContact OE2-CD2 3.39Å
300	H	97	Very high	97.6	Very high	109 Å²	109	23.7 Å²	23.7	51%	0.505	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	39.7	-178.1	-56.4	-67.1	0	0	0	112.7	G296 G297 R298 P520	G296-H300 PolarHBondContact O-N 2.98Å; G296-H300 VanDerWaalsContact O-N 3.14Å; G297-H300 PolarHBondContact O-N 2.92Å; R298-H300 PolarHBondContact O-N 3.32Å; H300-P520 HydrophobicContact CB-CG 4.39Å
301	D	98	Very high	97.6	Very high	18 Å²	18	24.1 Å²	24.1	10%	0.096	12%	0.119	C	C	.	.			trans	-72.8	162.9	175.6	-146	-10.8	0	0	0	112.6	G260 G296 E299 E331 R519	G260-D301 VanDerWaalsContact CA-CG 3.41Å; G260-D301 PolarHBondContact N-OD2 2.9Å; G296-D301 PolarHBondContact O-N 3.21Å; E299-D301 VanDerWaalsContact C-N 3.26Å; E299-D301 PolarHBondContact O-N 2.83Å; D301-E331 HydrophobicContact CB-CG 4.14Å; D301-R519 WeakPolarHBondContact OD1-CD 3.45Å; D301-R519 IonicContact OD1-CZ 2.74Å; D301-R519 IonicContact OD1-NH1 3.07Å; D301-R519 PolarHBondContact OD1-NH1 3.05Å
302	S	98.1	Very high	97.6	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	12%	0.12	C	C	.	.			trans	-134.1	111.8	178.4	-169.8	0	0	0	0	109.7	N304 C305 A332	S302-N304 PolarHBondContact O-N 3.04Å; S302-C305 VanDerWaalsContact O-CB 3.29Å; S302-C305 WeakPolarHBondContact O-CB 3.38Å; S302-C305 PolarHBondContact O-N 3.29Å; S302-A332 PolarHBondContact OG-O 3.45Å
303	C	98.2	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-61.3	-10.4	-169.6	43.2	0	0	0	0	116.2	S293 C305 D306 T309 E331 C333	S293-C303 WeakPolarHBondContact O-CB 3.18Å; C303-C305 PolarHBondContact O-N 3.2Å; C303-D306 PolarHBondContact O-N 3.31Å; C303-D306 VanDerWaalsContact O-N 3.09Å; C303-T309 HydrophobicContact CB-CG2 3.82Å; C303-T309 WeakPolarHBondContact O-CG2 3.5Å; C303-E331 WeakPolarHBondContact CA-OE2 3.48Å; C303-E331 HydrophobicContact CB-CB 3.93Å; C303-E331 PolarHBondContact N-OE2 3.28Å; C303-C333 HydrophobicContact CB-CB 3.99Å; C303-C333 WeakPolarHBondContact CB-SG 3.47Å; C303-C333 WeakPolarHBondContact SG-CB 3.48Å; C303-C333 PolarHBondContact SG-N 3.39Å; C303-C333 CovalentContact SG-SG 2.02Å; C303-C333 PolarHBondContact SG-SG 3.09Å
304	N	98.6	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-69.9	-9.8	167.8	-82.8	-2.6	0	0	0	113.5	S302 N310 C333 S334 S335 L515 W531 F533 M534	S302-N304 PolarHBondContact O-N 3.04Å; N304-N310 PolarHBondContact OD1-OD1 3.05Å; N304-C333 HydrophobicContact CB-CB 4.11Å; N304-C333 WeakPolarHBondContact OD1-CB 3.42Å; N304-S334 PolarHBondContact ND2-OG 3.25Å; N304-S335 WeakPolarHBondContact OD1-CB 3.29Å; N304-S335 PolarHBondContact OD1-N 3.17Å; N304-S335 PolarHBondContact OD1-OG 3.28Å; N304-L515 VanDerWaalsContact CB-O 3.24Å; N304-L515 WeakPolarHBondContact CB-O 3.46Å; N304-L515 PolarHBondContact ND2-O 2.8Å; N304-W531 WeakPolarHBondContact O-CZ2 3.26Å; N304-W531 PolarHBondContact O-NE1 3.27Å; N304-F533 HydrophobicContact CB-CD1 4Å; N304-M534 PolarHBondContact ND2-O 2.98Å
305	C	98.6	Very high	97.8	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.027	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-84.5	-10.5	170	-65.8	0	0	0	0	113.1	V263 D264 S302 C303 L516 W531	V263-C305 WeakPolarHBondContact CA-O 3.19Å; V263-C305 HydrophobicContact CG2-CB 4.05Å; D264-C305 PolarHBondContact N-O 3.47Å; S302-C305 VanDerWaalsContact O-CB 3.29Å; S302-C305 WeakPolarHBondContact O-CB 3.38Å; S302-C305 PolarHBondContact O-N 3.29Å; C303-C305 PolarHBondContact O-N 3.2Å; C305-L516 VanDerWaalsContact SG-CD1 3.6Å; C305-W531 WeakPolarHBondContact O-CZ2 3.34Å
306	D	98.4	Very high	97.9	Very high	10 Å²	10	23 Å²	23	5%	0.053	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-95.3	110.9	168.6	167	11.3	0	0	0	109.2	P256 C303 Y308 T309 N310	P256-D306 WeakPolarHBondContact CD-OD1 3.48Å; P256-D306 HydrophobicContact CG-CB 4.19Å; C303-D306 PolarHBondContact O-N 3.31Å; C303-D306 VanDerWaalsContact O-N 3.09Å; D306-Y308 VanDerWaalsContact C-N 3.25Å; D306-Y308 PolarHBondContact O-N 2.8Å; D306-Y308 WeakPolarHBondContact OD1-CB 3.5Å; D306-Y308 WeakPolarHBondContact OD1-CD2 3.46Å; D306-Y308 PolarHBondContact OD1-N 3.33Å; D306-T309 HydrophobicContact CB-CG2 3.62Å; D306-T309 WeakPolarHBondContact O-CG2 3.49Å; D306-T309 VanDerWaalsContact OD2-CG2 3.24Å; D306-T309 WeakPolarHBondContact OD2-CG2 3.37Å; D306-N310 WeakPolarHBondContact O-CB 3.43Å; D306-N310 PolarHBondContact O-N 2.91Å
307	G	97.7	Very high	97.9	Very high	11 Å²	11	23 Å²	23	11%	0.113	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.1	-178.7	0	0	0	0	0	115	D264 P266 S311	D264-G307 PolarHBondContact O-N 3.09Å; P266-G307 VanDerWaalsContact CD-C 3.42Å; P266-G307 WeakPolarHBondContact CD-O 3.46Å; G307-S311 PolarHBondContact O-N 3.32Å
308	Y	97.9	Very high	98.1	Very high	12 Å²	12	22.2 Å²	22.2	5%	0.047	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-53.9	175.5	-62.6	-84.6	0	0	0	110.6	E236 W254 P266 F274 W291 D306 N310 S311 T314	E236-Y308 PolarHBondContact OE1-OH 2.9Å; E236-Y308 PolarHBondContact OE2-OH 2.93Å; W254-Y308 HydrophobicContact CE3-CE1 4.38Å; W254-Y308 HydrophobicContact CH2-CD1 4.35Å; W254-Y308 HydrophobicContact CH2-CE1 4.08Å; W254-Y308 AromaticContact CZ3-CD1 3.79Å; W254-Y308 HydrophobicContact CZ3-CD1 3.79Å; W254-Y308 AromaticContact CZ3-CE1 3.44Å; W254-Y308 HydrophobicContact CZ3-CE1 3.44Å; W254-Y308 VanDerWaalsContact CZ3-CE1 3.44Å; W254-Y308 HydrophobicContact CZ3-CE2 4.41Å; W254-Y308 HydrophobicContact CZ3-CG 4.45Å; W254-Y308 AromaticContact CZ3-CZ 3.78Å; P266-Y308 HydrophobicContact CB-CD1 4.24Å; P266-Y308 HydrophobicContact CB-CE1 3.74Å; P266-Y308 HydrophobicContact CG-CD1 4.46Å; P266-Y308 HydrophobicContact CG-CE1 4.39Å; F274-Y308 AromaticContact CE2-CD1 3.88Å; F274-Y308 HydrophobicContact CE2-CD1 3.88Å; F274-Y308 HydrophobicContact CE2-CE1 4.32Å; F274-Y308 HydrophobicContact CZ-CD1 4.04Å; W291-Y308 HydrophobicContact CH2-CD1 4.32Å; W291-Y308 AromaticContact CZ2-CD1 3.8Å; W291-Y308 HydrophobicContact CZ2-CD1 3.8Å; W291-Y308 HydrophobicContact CZ2-CG 4.07Å; D306-Y308 VanDerWaalsContact C-N 3.25Å; D306-Y308 PolarHBondContact O-N 2.8Å; D306-Y308 WeakPolarHBondContact OD1-CB 3.5Å; D306-Y308 WeakPolarHBondContact OD1-CD2 3.46Å; D306-Y308 PolarHBondContact OD1-N 3.33Å; Y308-N310 VanDerWaalsContact C-N 3.33Å; Y308-S311 WeakPolarHBondContact O-CB 3.23Å; Y308-S311 PolarHBondContact O-N 2.81Å; Y308-T314 WeakPolarHBondContact O-CB 3.44Å; Y308-T314 VanDerWaalsContact O-CG2 3.31Å; Y308-T314 WeakPolarHBondContact O-CG2 3.34Å; Y308-T314 PolarHBondContact O-OG1 3.11Å
309	T	96.8	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.5	176.9	-172.2	0	0	0	0	112.8	C303 D306 S311 S316	C303-T309 HydrophobicContact CB-CG2 3.82Å; C303-T309 WeakPolarHBondContact O-CG2 3.5Å; D306-T309 HydrophobicContact CB-CG2 3.62Å; D306-T309 WeakPolarHBondContact O-CG2 3.49Å; D306-T309 VanDerWaalsContact OD2-CG2 3.24Å; D306-T309 WeakPolarHBondContact OD2-CG2 3.37Å; T309-S311 VanDerWaalsContact C-N 3.29Å; T309-S311 PolarHBondContact O-N 2.9Å; T309-S316 WeakPolarHBondContact CA-OG 3.47Å; T309-S316 PolarHBondContact O-OG 2.79Å; T309-S316 VanDerWaalsContact OG1-CB 3.24Å; T309-S316 WeakPolarHBondContact OG1-CB 3.44Å; T309-S316 PolarHBondContact OG1-OG 2.92Å; T309-S316 VanDerWaalsContact OG1-OG 3.11Å
310	N	97.4	Very high	98.3	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.037	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.8	176.4	179.1	74.8	0	0	0	113.8	N304 D306 Y308 A532 M534	N304-N310 PolarHBondContact OD1-OD1 3.05Å; D306-N310 WeakPolarHBondContact O-CB 3.43Å; D306-N310 PolarHBondContact O-N 2.91Å; Y308-N310 VanDerWaalsContact C-N 3.33Å; N310-A532 PolarHBondContact ND2-O 3.25Å; N310-M534 VanDerWaalsContact O-CB 3.28Å; N310-M534 WeakPolarHBondContact O-CB 3.36Å; N310-M534 WeakPolarHBondContact O-CE 3.28Å; N310-M534 VanDerWaalsContact OD1-CB 3.25Å; N310-M534 WeakPolarHBondContact OD1-CB 3.23Å; N310-M534 PolarHBondContact OD1-N 3.15Å
311	S	98.6	Very high	98.3	Very high	9 Å²	9	5.5 Å²	5.5	6%	0.063	3%	0.031	C	C	.	.	S	Bend	trans	-66.2	146.2	177.8	-172.4	0	0	0	0	111.8	G307 Y308 T309 Y313 T314	G307-S311 PolarHBondContact O-N 3.32Å; Y308-S311 WeakPolarHBondContact O-CB 3.23Å; Y308-S311 PolarHBondContact O-N 2.81Å; T309-S311 VanDerWaalsContact C-N 3.29Å; T309-S311 PolarHBondContact O-N 2.9Å; S311-Y313 PolarHBondContact O-N 3.11Å; S311-Y313 WeakPolarHBondContact OG-CD2 3.29Å; S311-Y313 PolarHBondContact OG-N 3.26Å; S311-T314 PolarHBondContact O-OG1 2.68Å; S311-T314 VanDerWaalsContact O-OG1 3.09Å
312	I	98.8	Very high	98.3	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.015	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.2	172.8	66.8	174.2	0	0	0	111.9	T314 W390 Q394 H486 M534 Y571	I312-T314 VanDerWaalsContact C-N 3.34Å; I312-W390 WeakPolarHBondContact O-CZ3 3.41Å; I312-Q394 PolarHBondContact O-NE2 2.99Å; I312-H486 HydrophobicContact CB-CB 4.35Å; I312-H486 HydrophobicContact CG2-CB 3.57Å; I312-M534 HydrophobicContact CG2-CG 3.94Å; I312-Y571 HydrophobicContact CD1-CD1 3.95Å; I312-Y571 HydrophobicContact CD1-CD2 4.34Å; I312-Y571 HydrophobicContact CD1-CE1 3.7Å; I312-Y571 HydrophobicContact CD1-CE2 4.12Å; I312-Y571 HydrophobicContact CD1-CG 4.26Å
313	Y	98.8	Very high	98.2	Very high	29 Å²	29	11.1 Å²	11.1	11%	0.114	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.7	-175.5	-54.4	-48.3	0	0	0	112.9	E271 F274 F275 V278 S311 W390	E271-Y313 WeakPolarHBondContact OE1-CE2 3.42Å; F274-Y313 HydrophobicContact CB-CD2 3.64Å; F274-Y313 HydrophobicContact CB-CE2 4.43Å; F274-Y313 HydrophobicContact CB-CG 4.19Å; F274-Y313 HydrophobicContact CG-CD2 4.46Å; F275-Y313 HydrophobicContact CB-CE2 4.49Å; V278-Y313 HydrophobicContact CB-CD1 4.3Å; V278-Y313 HydrophobicContact CG1-CD1 3.99Å; V278-Y313 HydrophobicContact CG1-CG 4.21Å; V278-Y313 HydrophobicContact CG2-CD1 3.51Å; V278-Y313 HydrophobicContact CG2-CE1 3.76Å; V278-Y313 HydrophobicContact CG2-CG 4.22Å; S311-Y313 PolarHBondContact O-N 3.11Å; S311-Y313 WeakPolarHBondContact OG-CD2 3.29Å; S311-Y313 PolarHBondContact OG-N 3.26Å; Y313-W390 HydrophobicContact CD1-CH2 4.07Å; Y313-W390 HydrophobicContact CD1-CZ2 4.46Å; Y313-W390 HydrophobicContact CD1-CZ3 4.41Å; Y313-W390 HydrophobicContact CE1-CH2 4.46Å
314	T	98.8	Very high	98.1	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.018	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	145.9	176.7	52.7	0	0	0	0	110.4	F274 F289 W291 Y308 S311 I312 Q394	F274-T314 HydrophobicContact CD1-CG2 4.43Å; F274-T314 HydrophobicContact CE1-CG2 3.69Å; F274-T314 HydrophobicContact CZ-CG2 3.92Å; F289-T314 HydrophobicContact CB-CG2 4.08Å; F289-T314 CarbonylContact O-C 2.99Å; F289-T314 WeakPolarHBondContact O-CA 3.44Å; W291-T314 HydrophobicContact CB-CG2 4.4Å; W291-T314 HydrophobicContact CD2-CG2 3.99Å; W291-T314 HydrophobicContact CE3-CG2 3.55Å; W291-T314 HydrophobicContact CG-CG2 4.37Å; W291-T314 HydrophobicContact CZ3-CG2 4.16Å; Y308-T314 WeakPolarHBondContact O-CB 3.44Å; Y308-T314 VanDerWaalsContact O-CG2 3.31Å; Y308-T314 WeakPolarHBondContact O-CG2 3.34Å; Y308-T314 PolarHBondContact O-OG1 3.11Å; S311-T314 PolarHBondContact O-OG1 2.68Å; S311-T314 VanDerWaalsContact O-OG1 3.09Å; I312-T314 VanDerWaalsContact C-N 3.34Å; T314-Q394 PolarHBondContact O-NE2 2.74Å
315	L	98.9	Very high	98.1	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.01	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	92.1	173.2	-165.9	164.2	0	0	0	106.6	F289 W291 I317 L337 I378 M393 Q394 V397	F289-L315 PolarHBondContact O-N 3.37Å; W291-L315 PolarHBondContact N-O 3.38Å; L315-I317 HydrophobicContact CD2-CD1 3.44Å; L315-I317 VanDerWaalsContact CD2-CD1 3.44Å; L315-I317 HydrophobicContact CD2-CG1 3.88Å; L315-L337 HydrophobicContact CD2-CD1 4.5Å; L315-L337 HydrophobicContact CG-CD1 3.88Å; L315-I378 HydrophobicContact CD1-CD1 3.82Å; L315-I378 HydrophobicContact CD2-CD1 4.37Å; L315-M393 HydrophobicContact CD1-CG 4.02Å; L315-Q394 HydrophobicContact CD1-CG 4.13Å; L315-Q394 HydrophobicContact CG-CG 4.29Å; L315-V397 HydrophobicContact CD1-CG2 4.1Å
316	S	98.8	Very high	98.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.7	-170.5	-55.9	0	0	0	0	112.3	W291 T309 L337	W291-S316 CarbonylContact O-C 3.35Å; W291-S316 WeakPolarHBondContact O-CA 3.19Å; T309-S316 WeakPolarHBondContact CA-OG 3.47Å; T309-S316 PolarHBondContact O-OG 2.79Å; T309-S316 VanDerWaalsContact OG1-CB 3.24Å; T309-S316 WeakPolarHBondContact OG1-CB 3.44Å; T309-S316 PolarHBondContact OG1-OG 2.92Å; T309-S316 VanDerWaalsContact OG1-OG 3.11Å; S316-L337 PolarHBondContact O-N 2.85Å
317	I	98.9	Very high	98	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.8	-171.5	-60	-65.5	0	0	0	110.2	V290 W291 S293 L315 A338 T340 A374 L429	V290-I317 HydrophobicContact CG1-CG1 4.03Å; W291-I317 PolarHBondContact O-N 3.1Å; S293-I317 PolarHBondContact N-O 3.32Å; L315-I317 HydrophobicContact CD2-CD1 3.44Å; L315-I317 VanDerWaalsContact CD2-CD1 3.44Å; L315-I317 HydrophobicContact CD2-CG1 3.88Å; I317-A338 WeakPolarHBondContact CA-O 3.24Å; I317-A338 HydrophobicContact CD1-CB 3.99Å; I317-T340 HydrophobicContact CG2-CG2 4.25Å; I317-A374 HydrophobicContact CB-CB 4.42Å; I317-A374 HydrophobicContact CD1-CB 3.91Å; I317-A374 HydrophobicContact CG1-CB 3.62Å; I317-A374 HydrophobicContact CG2-CB 4.18Å; I317-L429 HydrophobicContact CD1-CD1 4.21Å
318	S	98.8	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-179.2	172.1	-61.1	0	0	0	0	111.7	S293 T336 A338 T339 T340 S423	S293-S318 WeakPolarHBondContact CB-OG 3.42Å; S293-S318 PolarHBondContact OG-OG 3.33Å; S318-T336 WeakPolarHBondContact OG-CG2 3.18Å; S318-T336 PolarHBondContact OG-OG1 2.58Å; S318-A338 PolarHBondContact N-O 3.39Å; S318-T339 WeakPolarHBondContact O-CA 3.1Å; S318-T340 PolarHBondContact O-N 3.07Å; S318-T340 VanDerWaalsContact O-N 3.1Å; S318-S423 VanDerWaalsContact CB-O 3.3Å; S318-S423 WeakPolarHBondContact CB-O 3.49Å
319	S	98.7	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.2	-175	-71.2	0	0	0	0	113	P327 T340 S342 T367 S370	S319-P327 WeakPolarHBondContact O-CD 3.44Å; S319-T340 CarbonylContact C-O 3.57Å; S319-T340 WeakPolarHBondContact CA-O 3.2Å; S319-S342 WeakPolarHBondContact OG-CB 3.36Å; S319-T367 VanDerWaalsContact OG-CA 3.31Å; S319-T367 WeakPolarHBondContact OG-CA 3.48Å; S319-S370 WeakPolarHBondContact OG-CB 3.18Å; S319-S370 PolarHBondContact OG-OG 3.39Å; S319-S370 VanDerWaalsContact OG-OG 3.05Å
320	A	98.6	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.9	161.8	0	0	0	0	0	110.6	T339 T340 Y341 S342 L406 Y424	A320-T339 HydrophobicContact CB-CG2 3.65Å; A320-T340 PolarHBondContact N-O 2.84Å; A320-Y341 HydrophobicContact CB-CD1 4.07Å; A320-Y341 HydrophobicContact CB-CE1 4.22Å; A320-Y341 WeakPolarHBondContact O-CA 3.43Å; A320-S342 PolarHBondContact O-N 2.98Å; A320-L406 HydrophobicContact CB-CD2 3.53Å; A320-Y424 HydrophobicContact CB-CE1 4.07Å
321	T	98.3	Very high	98.1	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.025	11%	0.111	C	C	.	.			trans	-74.2	170.7	171.1	76.6	0	0	0	0	111.7	F323 G324 N325 P327 Y341 E348	T321-F323 PolarHBondContact O-N 3.33Å; T321-F323 PolarHBondContact OG1-N 3.18Å; T321-G324 WeakPolarHBondContact O-CA 3.42Å; T321-G324 PolarHBondContact O-N 3.29Å; T321-N325 HydrophobicContact CG2-CB 4.5Å; T321-N325 WeakPolarHBondContact CG2-O 3.42Å; T321-N325 PolarHBondContact N-O 3.06Å; T321-N325 PolarHBondContact OG1-N 2.77Å; T321-N325 VanDerWaalsContact OG1-N 3.1Å; T321-P327 HydrophobicContact CG2-CB 3.91Å; T321-P327 HydrophobicContact CG2-CG 3.68Å; T321-Y341 WeakPolarHBondContact O-CD1 3.3Å; T321-Y341 WeakPolarHBondContact O-CE1 3.5Å; T321-E348 WeakPolarHBondContact CB-OE1 3.25Å; T321-E348 WeakPolarHBondContact CB-OE2 3.44Å; T321-E348 PolarHBondContact OG1-OE1 3.12Å
322	Q	96.3	Very high	98.1	Very high	38 Å²	38	25.3 Å²	25.3	18%	0.178	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-37.3	176.1	-172.9	-176.2	14.5	0	0	113.5	W122 G324 E348	W122-Q322 HydrophobicContact CD2-CG 4.1Å; W122-Q322 HydrophobicContact CE3-CB 4.39Å; W122-Q322 HydrophobicContact CE3-CG 3.82Å; W122-Q322 HydrophobicContact CH2-CB 3.66Å; W122-Q322 HydrophobicContact CH2-CG 4.02Å; W122-Q322 HydrophobicContact CZ2-CB 3.93Å; W122-Q322 HydrophobicContact CZ2-CG 4.31Å; W122-Q322 HydrophobicContact CZ3-CB 3.94Å; W122-Q322 HydrophobicContact CZ3-CG 3.79Å; Q322-G324 PolarHBondContact O-N 3.38Å; Q322-E348 HydrophobicContact CB-CB 4.03Å; Q322-E348 HydrophobicContact CB-CG 4.15Å; Q322-E348 PolarHBondContact N-OE1 2.94Å
323	F	96.1	Very high	98.1	Very high	101 Å²	101	25.2 Å²	25.2	44%	0.443	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.7	177	-55.8	-33.7	0	0	0	113.6	R130 T321 E348	R130-F323 PolarHBondContact NH1-O 3.41Å; T321-F323 PolarHBondContact O-N 3.33Å; T321-F323 PolarHBondContact OG1-N 3.18Å; F323-E348 WeakPolarHBondContact CB-OE1 3.4Å; F323-E348 HydrophobicContact CD2-CG 3.49Å; F323-E348 VanDerWaalsContact CD2-CG 3.49Å; F323-E348 VanDerWaalsContact CD2-OE1 3.27Å; F323-E348 WeakPolarHBondContact CD2-OE1 3.47Å; F323-E348 HydrophobicContact CE2-CG 3.41Å; F323-E348 VanDerWaalsContact CE2-CG 3.41Å; F323-E348 HydrophobicContact CG-CG 4.11Å; F323-E348 WeakPolarHBondContact CG-OE1 3.02Å; F323-E348 HydrophobicContact CZ-CG 3.95Å; F323-E348 PolarHBondContact N-OE1 3.38Å
324	G	96.7	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	76	31.8	178.4	0	0	0	0	0	113.1	T321 Q322 H405 L406 N407 Y424	T321-G324 WeakPolarHBondContact O-CA 3.42Å; T321-G324 PolarHBondContact O-N 3.29Å; Q322-G324 PolarHBondContact O-N 3.38Å; G324-H405 WeakPolarHBondContact CA-O 3.44Å; G324-L406 CarbonylContact O-C 3.58Å; G324-L406 WeakPolarHBondContact O-CA 3.28Å; G324-N407 PolarHBondContact O-N 3.15Å; G324-Y424 PolarHBondContact O-OH 2.93Å
325	N	98.4	Very high	98.1	Very high	63 Å²	63	23.8 Å²	23.8	34%	0.337	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-99.8	164.3	173.7	-60.9	-46.8	0	0	0	110.7	T321 P327 N407 Y424	T321-N325 HydrophobicContact CG2-CB 4.5Å; T321-N325 WeakPolarHBondContact CG2-O 3.42Å; T321-N325 PolarHBondContact N-O 3.06Å; T321-N325 PolarHBondContact OG1-N 2.77Å; T321-N325 VanDerWaalsContact OG1-N 3.1Å; N325-P327 WeakPolarHBondContact O-CD 3.46Å; N325-N407 PolarHBondContact OD1-ND2 3.48Å; N325-Y424 WeakPolarHBondContact CA-OH 3.46Å; N325-Y424 PolarHBondContact O-OH 2.9Å
326	V	98.4	Very high	98.1	Very high	58 Å²	58	23.7 Å²	23.7	35%	0.352	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-73.1	119.2	173.3	-176.8	0	0	0	0	107.3	A408 Y424	V326-A408 HydrophobicContact CG2-CB 4.5Å; V326-Y424 HydrophobicContact CG2-CE1 4.05Å; V326-Y424 HydrophobicContact CG2-CE2 4.01Å; V326-Y424 VanDerWaalsContact CG2-OH 3.31Å; V326-Y424 WeakPolarHBondContact CG2-OH 3.24Å; V326-Y424 PolarHBondContact N-OH 3.09Å
327	P	97.8	Very high	98.1	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.039	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-64.8	152.9	177.3	-16.2	27.8	0	0	0	111.8	S319 T321 N325 Y329 S330	S319-P327 WeakPolarHBondContact O-CD 3.44Å; T321-P327 HydrophobicContact CG2-CB 3.91Å; T321-P327 HydrophobicContact CG2-CG 3.68Å; N325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-Y329 HydrophobicContact CB-CD1 3.93Å; P327-Y329 HydrophobicContact CB-CD2 4.28Å; P327-Y329 HydrophobicContact CB-CE1 3.42Å; P327-Y329 VanDerWaalsContact CB-CE1 3.42Å; P327-Y329 HydrophobicContact CB-CE2 3.82Å; P327-Y329 HydrophobicContact CB-CG 4.33Å; P327-Y329 HydrophobicContact CG-CE1 4.34Å; P327-Y329 HydrophobicContact CG-CE2 4.16Å; P327-Y329 PolarHBondContact O-N 3.12Å; P327-Y329 VanDerWaalsContact O-N 3.12Å; P327-S330 PolarHBondContact O-N 2.02Å
328	W	97.3	Very high	98.1	Very high	163 Å²	163	23.8 Å²	23.8	62%	0.617	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	-177.5	62.9	-92.5	0	0	0	114.7	G297 R298	G297-W328 CarbonylContact C-O 3.57Å; R298-W328 HydrophobicContact CB-CE3 4.13Å; R298-W328 HydrophobicContact CB-CZ3 4.25Å; R298-W328 PolarHBondContact N-O 2.79Å
329	Y	96.9	Very high	98.1	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.02	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-12.1	179.4	54.5	-99	0	0	0	112.8	N295 G296 G297 P327 S342 S343 G366 T367	N295-Y329 CarbonylContact C-O 3.31Å; N295-Y329 WeakPolarHBondContact CA-O 3.28Å; N295-Y329 WeakPolarHBondContact OD1-CD2 3.38Å; G296-Y329 PolarHBondContact N-O 2.84Å; G297-Y329 PolarHBondContact N-O 3.26Å; P327-Y329 HydrophobicContact CB-CD1 3.93Å; P327-Y329 HydrophobicContact CB-CD2 4.28Å; P327-Y329 HydrophobicContact CB-CE1 3.42Å; P327-Y329 VanDerWaalsContact CB-CE1 3.42Å; P327-Y329 HydrophobicContact CB-CE2 3.82Å; P327-Y329 HydrophobicContact CB-CG 4.33Å; P327-Y329 HydrophobicContact CG-CE1 4.34Å; P327-Y329 HydrophobicContact CG-CE2 4.16Å; P327-Y329 PolarHBondContact O-N 3.12Å; P327-Y329 VanDerWaalsContact O-N 3.12Å; Y329-S342 WeakPolarHBondContact OH-CB 3.4Å; Y329-S342 PolarHBondContact OH-OG 2.81Å; Y329-S343 WeakPolarHBondContact CE1-O 3.22Å; Y329-S343 WeakPolarHBondContact CE1-OG 3.49Å; Y329-S343 PolarHBondContact OH-N 2.86Å; Y329-S343 PolarHBondContact OH-O 3.41Å; Y329-S343 PolarHBondContact OH-OG 2.86Å; Y329-G366 VanDerWaalsContact CE2-C 3.46Å; Y329-T367 HydrophobicContact CD2-CG2 4.07Å; Y329-T367 HydrophobicContact CE2-CG2 3.95Å
330	S	97.7	Very high	98.1	Very high	12 Å²	12	23.8 Å²	23.8	8%	0.084	12%	0.118	C	C	.	.			trans	-69.8	138.2	-173.5	-164.5	0	0	0	0	111.5	G297 P327	G297-S330 WeakPolarHBondContact CA-O 3.44Å; P327-S330 PolarHBondContact O-N 2.02Å
331	E	98.4	Very high	98.1	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.019	12%	0.118	C	C	.	.			trans	-96.9	143.4	172.4	-65.3	176.2	-137	0	0	110.8	G294 N295 G296 D301 C303	G294-E331 WeakPolarHBondContact CA-OE1 3.21Å; N295-E331 PolarHBondContact N-OE1 3.43Å; G296-E331 WeakPolarHBondContact CA-OE1 3.23Å; G296-E331 PolarHBondContact N-OE1 2.91Å; D301-E331 HydrophobicContact CB-CG 4.14Å; C303-E331 WeakPolarHBondContact CA-OE2 3.48Å; C303-E331 HydrophobicContact CB-CB 3.93Å; C303-E331 PolarHBondContact N-OE2 3.28Å
332	A	98.5	Very high	98.1	Very high	39 Å²	39	23.7 Å²	23.7	32%	0.322	12%	0.117	S	C	.	.			trans	-107.2	131.8	177.7	0	0	0	0	0	110.7	S302 H422	S302-A332 PolarHBondContact OG-O 3.45Å; A332-H422 VanDerWaalsContact CA-O 3.32Å; A332-H422 WeakPolarHBondContact CA-O 3.41Å; A332-H422 HydrophobicContact CB-CB 4.1Å
333	C	98.4	Very high	98.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	11%	0.11	C	C	.	.			trans	-160.7	166.4	174.4	59.7	0	0	0	0	111	C303 N304 S335 H422	C303-C333 HydrophobicContact CB-CB 3.99Å; C303-C333 WeakPolarHBondContact CB-SG 3.47Å; C303-C333 WeakPolarHBondContact SG-CB 3.48Å; C303-C333 PolarHBondContact SG-N 3.39Å; C303-C333 CovalentContact SG-SG 2.02Å; C303-C333 PolarHBondContact SG-SG 3.09Å; N304-C333 HydrophobicContact CB-CB 4.11Å; N304-C333 WeakPolarHBondContact OD1-CB 3.42Å; C333-S335 VanDerWaalsContact C-N 3.33Å; C333-S335 PolarHBondContact SG-OG 3.11Å; C333-H422 PolarHBondContact N-O 2.8Å; C333-H422 WeakPolarHBondContact O-CA 3.24Å; C333-H422 VanDerWaalsContact O-O 3.08Å
334	S	98.8	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-82.9	-7.7	-177.9	40.1	0	0	0	0	114.2	N304 T514 M534 T535 T536 H537	N304-S334 PolarHBondContact ND2-OG 3.25Å; S334-T514 WeakPolarHBondContact CB-O 3.43Å; S334-T514 PolarHBondContact OG-O 3.3Å; S334-M534 CarbonylContact C-O 3.58Å; S334-M534 PolarHBondContact OG-O 2.76Å; S334-M534 VanDerWaalsContact OG-O 3.14Å; S334-T535 CarbonylContact O-C 3.44Å; S334-T535 WeakPolarHBondContact O-CA 3.49Å; S334-T536 PolarHBondContact O-N 3.19Å; S334-T536 PolarHBondContact O-OG1 3.29Å; S334-H537 PolarHBondContact O-CD2 3.15Å
335	S	98.7	Very high	97.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	11%	0.113	C	C	.	.	S	Bend	trans	-80.9	-25.1	177.1	50.9	0	0	0	0	114.2	N304 C333 L337 T536	N304-S335 WeakPolarHBondContact OD1-CB 3.29Å; N304-S335 PolarHBondContact OD1-N 3.17Å; N304-S335 PolarHBondContact OD1-OG 3.28Å; C333-S335 VanDerWaalsContact C-N 3.33Å; C333-S335 PolarHBondContact SG-OG 3.11Å; S335-L337 PolarHBondContact O-N 2.93Å; S335-T536 WeakPolarHBondContact O-CG2 3.31Å
336	T	98.8	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.			trans	-56.8	130.7	177.2	-66.7	0	0	0	0	111.5	S318 A338 G425 T536	S318-T336 WeakPolarHBondContact OG-CG2 3.18Å; S318-T336 PolarHBondContact OG-OG1 2.58Å; T336-A338 WeakPolarHBondContact CG2-O 3.07Å; T336-G425 WeakPolarHBondContact O-CA 3.38Å; T336-T536 PolarHBondContact O-OG1 3Å
337	L	98.8	Very high	97.3	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.159	C	C	.	.			trans	-91.2	-42.9	177.9	-85.2	171.7	0	0	0	112.9	L315 S316 S335 Q394 V397 V398 Y426 T536 W539	L315-L337 HydrophobicContact CD2-CD1 4.5Å; L315-L337 HydrophobicContact CG-CD1 3.88Å; S316-L337 PolarHBondContact O-N 2.85Å; S335-L337 PolarHBondContact O-N 2.93Å; L337-Q394 HydrophobicContact CD1-CB 4.03Å; L337-Q394 HydrophobicContact CD1-CG 3.76Å; L337-V397 HydrophobicContact CB-CG1 4.34Å; L337-V398 HydrophobicContact CD2-CG2 3.75Å; L337-Y426 WeakPolarHBondContact O-CD2 3.26Å; L337-Y426 PolarHBondContact O-N 3.13Å; L337-T536 HydrophobicContact CD2-CG2 3.71Å; L337-T536 HydrophobicContact CG-CG2 4.02Å; L337-W539 HydrophobicContact CD2-CE3 4.33Å; L337-W539 HydrophobicContact CD2-CZ3 4.17Å
338	A	98.9	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	-175.9	-173.4	0	0	0	0	0	112.5	I317 S318 T336 V397 Y424 L429	I317-A338 WeakPolarHBondContact CA-O 3.24Å; I317-A338 HydrophobicContact CD1-CB 3.99Å; S318-A338 PolarHBondContact N-O 3.39Å; T336-A338 WeakPolarHBondContact CG2-O 3.07Å; A338-V397 HydrophobicContact CB-CG1 3.45Å; A338-V397 VanDerWaalsContact CB-CG1 3.45Å; A338-Y424 CarbonylContact C-O 3.56Å; A338-Y424 WeakPolarHBondContact CA-O 3.37Å; A338-L429 HydrophobicContact CB-CD2 3.62Å; A338-L429 HydrophobicContact CB-CG 4.17Å
339	T	98.9	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148	-175	-59.8	0	0	0	0	111.6	S318 A320 Y424 G427 L428 L429	S318-T339 WeakPolarHBondContact O-CA 3.1Å; A320-T339 HydrophobicContact CB-CG2 3.65Å; T339-Y424 HydrophobicContact CG2-CD1 3.85Å; T339-Y424 HydrophobicContact CG2-CE1 4.37Å; T339-Y424 VanDerWaalsContact OG1-C 3.31Å; T339-Y424 WeakPolarHBondContact OG1-CA 3.37Å; T339-Y424 WeakPolarHBondContact OG1-CB 3.09Å; T339-Y424 WeakPolarHBondContact OG1-CD1 2.98Å; T339-Y424 PolarHBondContact OG1-O 3.25Å; T339-G427 PolarHBondContact N-O 3.49Å; T339-L428 HydrophobicContact CG2-CD1 4.18Å; T339-L428 CarbonylContact O-C 3.54Å; T339-L428 WeakPolarHBondContact O-CA 3.49Å; T339-L429 PolarHBondContact O-N 3.03Å
340	T	98.8	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	175.4	160.7	54.7	0	0	0	0	110.6	L132 I317 S318 S319 A320 S370 L373 A374 L429	L132-T340 HydrophobicContact CD1-CG2 4.45Å; L132-T340 HydrophobicContact CD2-CG2 4.01Å; I317-T340 HydrophobicContact CG2-CG2 4.25Å; S318-T340 PolarHBondContact O-N 3.07Å; S318-T340 VanDerWaalsContact O-N 3.1Å; S319-T340 CarbonylContact C-O 3.57Å; S319-T340 WeakPolarHBondContact CA-O 3.2Å; A320-T340 PolarHBondContact N-O 2.84Å; T340-S370 PolarHBondContact O-OG 3.24Å; T340-S370 VanDerWaalsContact OG1-C 3.26Å; T340-S370 WeakPolarHBondContact OG1-CA 3.46Å; T340-S370 WeakPolarHBondContact OG1-CB 3.43Å; T340-S370 PolarHBondContact OG1-O 3.01Å; T340-S370 PolarHBondContact OG1-OG 3.49Å; T340-L373 HydrophobicContact CG2-CB 4.35Å; T340-A374 HydrophobicContact CG2-CB 4.01Å; T340-L429 HydrophobicContact CG2-CB 4.16Å; T340-L429 HydrophobicContact CG2-CD1 3.68Å; T340-L429 HydrophobicContact CG2-CG 4.01Å
341	Y	98.6	Very high	97.1	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	150.1	176.1	-73.2	-58.1	0	0	0	112.3	W122 R130 L132 A320 T321 S370 L373 L428	W122-Y341 VanDerWaalsContact CH2-CB 3.45Å; W122-Y341 AromaticContact CH2-CD1 3.49Å; W122-Y341 HydrophobicContact CH2-CD1 3.49Å; W122-Y341 VanDerWaalsContact CH2-CD1 3.49Å; W122-Y341 HydrophobicContact CH2-CD2 4.23Å; W122-Y341 HydrophobicContact CH2-CE1 4.29Å; W122-Y341 AromaticContact CH2-CG 3.45Å; W122-Y341 HydrophobicContact CH2-CG 3.45Å; W122-Y341 VanDerWaalsContact CH2-CG 3.45Å; W122-Y341 AromaticContact CZ3-CD1 3.6Å; W122-Y341 HydrophobicContact CZ3-CD1 3.6Å; W122-Y341 AromaticContact CZ3-CD2 3.81Å; W122-Y341 HydrophobicContact CZ3-CD2 3.81Å; W122-Y341 HydrophobicContact CZ3-CE1 4.02Å; W122-Y341 HydrophobicContact CZ3-CE2 4.2Å; W122-Y341 AromaticContact CZ3-CG 3.48Å; W122-Y341 HydrophobicContact CZ3-CG 3.48Å; W122-Y341 VanDerWaalsContact CZ3-CG 3.48Å; R130-Y341 WeakPolarHBondContact CA-OH 3.33Å; L132-Y341 HydrophobicContact CD2-CD2 4.08Å; L132-Y341 HydrophobicContact CG-CD2 4.08Å; A320-Y341 HydrophobicContact CB-CD1 4.07Å; A320-Y341 HydrophobicContact CB-CE1 4.22Å; A320-Y341 WeakPolarHBondContact O-CA 3.43Å; T321-Y341 WeakPolarHBondContact O-CD1 3.3Å; T321-Y341 WeakPolarHBondContact O-CE1 3.5Å; Y341-S370 PolarHBondContact O-OG 3.1Å; Y341-L373 WeakPolarHBondContact O-CD1 3.26Å; Y341-L428 HydrophobicContact CD1-CD1 4.35Å; Y341-L428 HydrophobicContact CD2-CD1 4.27Å; Y341-L428 HydrophobicContact CD2-CD2 4.27Å; Y341-L428 HydrophobicContact CE1-CD1 4.2Å; Y341-L428 HydrophobicContact CE1-CD2 4.41Å; Y341-L428 HydrophobicContact CE2-CD1 4.11Å; Y341-L428 HydrophobicContact CE2-CD2 3.45Å; Y341-L428 VanDerWaalsContact CE2-CD2 3.45Å; Y341-L428 HydrophobicContact CE2-CG 4.38Å; Y341-L428 HydrophobicContact CG-CD1 4.38Å; Y341-L428 WeakPolarHBondContact OH-CD2 3.49Å
342	S	98.5	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-151.3	-157.7	167.9	-173.8	0	0	0	0	109.5	S319 A320 Y329 G366	S319-S342 WeakPolarHBondContact OG-CB 3.36Å; A320-S342 PolarHBondContact O-N 2.98Å; Y329-S342 WeakPolarHBondContact OH-CB 3.4Å; Y329-S342 PolarHBondContact OH-OG 2.81Å; S342-G366 WeakPolarHBondContact CB-O 3.3Å; S342-G366 PolarHBondContact OG-N 3.4Å; S342-G366 PolarHBondContact OG-O 2.73Å
343	S	97.6	Very high	97.2	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	15%	0.145	C	C	.	.			trans	-70.3	156.2	176.7	59.8	0	0	0	0	113.7	Y329 T365 G366	Y329-S343 WeakPolarHBondContact CE1-O 3.22Å; Y329-S343 WeakPolarHBondContact CE1-OG 3.49Å; Y329-S343 PolarHBondContact OH-N 2.86Å; Y329-S343 PolarHBondContact OH-O 3.41Å; Y329-S343 PolarHBondContact OH-OG 2.86Å; S343-T365 VanDerWaalsContact OG-CA 3.28Å; S343-T365 WeakPolarHBondContact OG-CA 3.1Å; S343-T365 VanDerWaalsContact OG-CB 3.23Å; S343-T365 WeakPolarHBondContact OG-CB 3.36Å; S343-G366 PolarHBondContact OG-N 2.71Å
344	G	95.6	Very high	97.2	Very high	8 Å²	8	29 Å²	29	8%	0.082	14%	0.144	C	C	.	.			trans	-134.4	-135.3	172.6	0	0	0	0	0	112.1	E348	G344-E348 WeakPolarHBondContact CA-OE2 3.44Å
345	N	93.2	Very high	97.2	Very high	79 Å²	79	30 Å²	30	42%	0.422	15%	0.15	S	C	.	.	S	Bend	trans	-71.9	175.3	173.2	67.7	46.1	0	0	0	111.9	N347 E348	N345-N347 PolarHBondContact O-N 2.94Å; N345-N347 VanDerWaalsContact O-N 3.15Å; N345-N347 WeakPolarHBondContact OD1-CA 3.4Å; N345-N347 WeakPolarHBondContact OD1-CB 3.49Å; N345-N347 PolarHBondContact OD1-N 2.66Å; N345-E348 VanDerWaalsContact CG-OE2 3.26Å; N345-E348 PolarHBondContact N-OE2 3.02Å; N345-E348 PolarHBondContact ND2-OE2 2.84Å; N345-E348 PolarHBondContact O-N 3.36Å; N345-E348 WeakPolarHBondContact OD1-CG 3.36Å; N345-E348 PolarHBondContact OD1-N 3.32Å; N345-E348 VanDerWaalsContact OD1-N 3.15Å
346	Q	90.2	Very high	97.1	Very high	193 Å²	193	30.2 Å²	30.2	90%	0.902	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.5	-177.4	-63.5	-177.7	11.4	0	0	114.4
347	N	93.3	Very high	97.1	Very high	141 Å²	141	35.1 Å²	35.1	75%	0.754	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.5	178.7	-60.7	38.3	0	0	0	111.8	N345	N345-N347 PolarHBondContact O-N 2.94Å; N345-N347 VanDerWaalsContact O-N 3.15Å; N345-N347 WeakPolarHBondContact OD1-CA 3.4Å; N345-N347 WeakPolarHBondContact OD1-CB 3.49Å; N345-N347 PolarHBondContact OD1-N 2.66Å
348	E	94.8	Very high	97.1	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	19%	0.192	C	C	.	.	S	Bend	trans	-96.3	145.1	177.6	-69.1	174.6	115.1	0	0	110.1	T321 Q322 F323 G344 N345	T321-E348 WeakPolarHBondContact CB-OE1 3.25Å; T321-E348 WeakPolarHBondContact CB-OE2 3.44Å; T321-E348 PolarHBondContact OG1-OE1 3.12Å; Q322-E348 HydrophobicContact CB-CB 4.03Å; Q322-E348 HydrophobicContact CB-CG 4.15Å; Q322-E348 PolarHBondContact N-OE1 2.94Å; F323-E348 WeakPolarHBondContact CB-OE1 3.4Å; F323-E348 HydrophobicContact CD2-CG 3.49Å; F323-E348 VanDerWaalsContact CD2-CG 3.49Å; F323-E348 VanDerWaalsContact CD2-OE1 3.27Å; F323-E348 WeakPolarHBondContact CD2-OE1 3.47Å; F323-E348 HydrophobicContact CE2-CG 3.41Å; F323-E348 VanDerWaalsContact CE2-CG 3.41Å; F323-E348 HydrophobicContact CG-CG 4.11Å; F323-E348 WeakPolarHBondContact CG-OE1 3.02Å; F323-E348 HydrophobicContact CZ-CG 3.95Å; F323-E348 PolarHBondContact N-OE1 3.38Å; G344-E348 WeakPolarHBondContact CA-OE2 3.44Å; N345-E348 VanDerWaalsContact CG-OE2 3.26Å; N345-E348 PolarHBondContact N-OE2 3.02Å; N345-E348 PolarHBondContact ND2-OE2 2.84Å; N345-E348 PolarHBondContact O-N 3.36Å; N345-E348 WeakPolarHBondContact OD1-CG 3.36Å; N345-E348 PolarHBondContact OD1-N 3.32Å; N345-E348 VanDerWaalsContact OD1-N 3.15Å
349	K	95.3	Very high	97.1	Very high	101 Å²	101	45.8 Å²	45.8	44%	0.439	22%	0.217	S	C	.	.			trans	-67.7	156.6	174.4	-66.3	-177.7	-179.6	178.6	0	110.8	W122	W122-K349 HydrophobicContact CB-CD 4.02Å; W122-K349 HydrophobicContact CD2-CB 4.46Å; W122-K349 HydrophobicContact CG-CB 4.1Å; W122-K349 HydrophobicContact CG-CD 3.88Å; W122-K349 VanDerWaalsContact NE1-CB 3.3Å
350	Q	97.6	Very high	97	Very high	58 Å²	58	48.1 Å²	48.1	27%	0.271	23%	0.233	S	C	.	.			trans	-112.4	-172.9	178	-62.1	-177.4	-30	0	0	110	W122 E362 T365	W122-Q350 PolarHBondContact NE1-O 2.83Å; Q350-E362 WeakPolarHBondContact CB-O 3.45Å; Q350-T365 HydrophobicContact CG-CG2 4.27Å
351	I	98.5	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.3	179.3	-62.1	-51.7	0	0	0	110.4	Y123 E201 T353 E362 S363 H364 A369 L373	Y123-I351 HydrophobicContact CD1-CD1 3.48Å; Y123-I351 VanDerWaalsContact CD1-CD1 3.48Å; Y123-I351 HydrophobicContact CE1-CB 4.45Å; Y123-I351 HydrophobicContact CE1-CD1 3.54Å; Y123-I351 HydrophobicContact CE1-CG2 4.27Å; Y123-I351 HydrophobicContact CG-CD1 4.07Å; E201-I351 HydrophobicContact CG-CG2 3.9Å; E201-I351 WeakPolarHBondContact OE2-CG2 3.38Å; I351-T353 HydrophobicContact CG2-CG2 4.41Å; I351-E362 CarbonylContact O-C 3.59Å; I351-E362 VanDerWaalsContact O-C 3.31Å; I351-S363 PolarHBondContact O-N 3.05Å; I351-H364 HydrophobicContact CB-CB 4Å; I351-H364 WeakPolarHBondContact CB-O 3.17Å; I351-H364 HydrophobicContact CG2-CB 4.18Å; I351-H364 PolarHBondContact N-O 3.37Å; I351-H364 PolarHBondContact O-N 2.91Å; I351-H364 VanDerWaalsContact O-N 3.12Å; I351-A369 HydrophobicContact CB-CB 4.26Å; I351-A369 HydrophobicContact CG1-CB 3.77Å; I351-A369 HydrophobicContact CG2-CB 4.48Å; I351-L373 HydrophobicContact CD1-CD1 4.01Å
352	V	98.8	Very high	97	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.9	177.3	-179.5	0	0	0	0	109.1	K117 Q120 Q121 Y123 T361 E362	K117-V352 HydrophobicContact CB-CG1 3.84Å; Q120-V352 HydrophobicContact CB-CG2 3.95Å; Q121-V352 HydrophobicContact CG-CB 3.84Å; Q121-V352 HydrophobicContact CG-CG1 4.16Å; Q121-V352 PolarHBondContact NE2-O 3.4Å; Y123-V352 PolarHBondContact OH-O 2.87Å; V352-T361 CarbonylContact C-O 3.09Å; V352-T361 VanDerWaalsContact CA-O 3.24Å; V352-T361 WeakPolarHBondContact CA-O 3.15Å; V352-E362 HydrophobicContact CG1-CG 4.14Å; V352-E362 HydrophobicContact CG2-CB 4.17Å; V352-E362 HydrophobicContact CG2-CG 4.03Å
353	T	98.8	Very high	96.9	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	177.9	-175.4	-172.5	0	0	0	0	111.5	R197 G200 E201 C211 I351 T361 H364	R197-T353 HydrophobicContact CB-CG2 3.73Å; R197-T353 HydrophobicContact CG-CG2 4.1Å; R197-T353 WeakPolarHBondContact O-CG2 3.49Å; R197-T353 PolarHBondContact O-OG1 2.88Å; G200-T353 VanDerWaalsContact C-OG1 3.28Å; G200-T353 VanDerWaalsContact CA-OG1 3.31Å; G200-T353 WeakPolarHBondContact CA-OG1 3.37Å; E201-T353 HydrophobicContact CG-CG2 4.16Å; E201-T353 PolarHBondContact N-OG1 2.91Å; E201-T353 VanDerWaalsContact N-OG1 3.14Å; C211-T353 VanDerWaalsContact SG-C 3.56Å; C211-T353 PolarHBondContact SG-O 3.41Å; I351-T353 HydrophobicContact CG2-CG2 4.41Å; T353-T361 HydrophobicContact CG2-CG2 3.74Å; T353-T361 PolarHBondContact N-O 3.3Å; T353-T361 PolarHBondContact O-N 3.06Å; T353-H364 HydrophobicContact CG2-CB 4.11Å
354	T	98.8	Very high	97	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	152.5	171.1	51.6	0	0	0	0	111.5	H160 D162 L163 T196 R197 G200 A204	H160-T354 WeakPolarHBondContact CE1-CG2 3.34Å; D162-T354 HydrophobicContact CB-CG2 3.66Å; L163-T354 HydrophobicContact CD2-CG2 4.26Å; L163-T354 HydrophobicContact CG-CG2 4.25Å; T196-T354 PolarHBondContact O-OG1 3.05Å; R197-T354 VanDerWaalsContact CA-O 3.31Å; R197-T354 WeakPolarHBondContact CA-O 3.39Å; R197-T354 VanDerWaalsContact CG-O 3.24Å; R197-T354 WeakPolarHBondContact CG-O 3.22Å; G200-T354 WeakPolarHBondContact CA-OG1 3.19Å; G200-T354 PolarHBondContact N-OG1 2.82Å; A204-T354 HydrophobicContact CB-CG2 4.19Å
355	D	98.8	Very high	97	Very high	22 Å²	22	58.2 Å²	58.2	12%	0.118	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.6	179.6	-160.1	10.7	0	0	0	110.7	H160 R197 K359 T361	H160-D355 PolarHBondContact CD2-O 2.83Å; R197-D355 IonicContact CZ-OD1 2.64Å; R197-D355 IonicContact CZ-OD2 2.79Å; R197-D355 IonicContact NE-OD1 2.83Å; R197-D355 PolarHBondContact NE-OD1 3.1Å; R197-D355 IonicContact NE-OD2 2.65Å; R197-D355 VanDerWaalsContact NH2-CG 3.35Å; R197-D355 IonicContact NH2-OD1 2.88Å; R197-D355 PolarHBondContact NH2-OD1 3.44Å; R197-D355 IonicContact NH2-OD2 3.46Å; R197-D355 PolarHBondContact NH2-OD2 2.69Å; D355-K359 HydrophobicContact CB-CB 4Å; D355-K359 PolarHBondContact N-O 3.03Å; D355-K359 PolarHBondContact O-N 2.62Å; D355-T361 HydrophobicContact CB-CG2 4.04Å
356	L	97.7	Very high	97.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	146.6	-179.5	-166.6	68.5	0	0	0	111	E157 P184 Y186 N190 R193	E157-L356 HydrophobicContact CB-CD1 4.48Å; P184-L356 HydrophobicContact CB-CD1 3.9Å; P184-L356 HydrophobicContact CG-CD1 3.35Å; Y186-L356 HydrophobicContact CD1-CD1 4.07Å; Y186-L356 HydrophobicContact CD1-CD2 3.98Å; Y186-L356 HydrophobicContact CD1-CG 3.89Å; Y186-L356 HydrophobicContact CE1-CD1 3.68Å; Y186-L356 HydrophobicContact CE1-CD2 4.38Å; Y186-L356 HydrophobicContact CE1-CG 3.8Å; N190-L356 HydrophobicContact CB-CD2 4.12Å; R193-L356 HydrophobicContact CB-CB 3.72Å; R193-L356 HydrophobicContact CB-CD2 4.25Å
357	R	98.2	Very high	97.2	Very high	104 Å²	104	45.5 Å²	45.5	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	38.4	-175.7	-45.6	174	179.8	-81.8	-1.7	112.9	E157 Y186 T187 N190 K359	E157-R357 VanDerWaalsContact OE1-CA 3.28Å; E157-R357 WeakPolarHBondContact OE1-CA 3.44Å; E157-R357 PolarHBondContact OE1-N 3.19Å; Y186-R357 HydrophobicContact CD1-CG 3.83Å; Y186-R357 HydrophobicContact CE1-CG 3.87Å; T187-R357 PolarHBondContact O-NH2 3.1Å; N190-R357 PolarHBondContact OD1-NE 2.71Å; N190-R357 PolarHBondContact OD1-NH2 3.19Å; N190-R357 VanDerWaalsContact OD1-NH2 3.12Å; R357-K359 VanDerWaalsContact C-N 3.27Å; R357-K359 PolarHBondContact O-N 3.25Å
358	Q	98.1	Very high	97.2	Very high	107 Å²	107	39.3 Å²	39.3	50%	0.5	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	36.7	176.1	-53.7	-176.8	-1.7	0	0	113.1	E157 H160 P161	E157-Q358 VanDerWaalsContact OE2-CA 3.31Å; E157-Q358 WeakPolarHBondContact OE2-CA 3.49Å; E157-Q358 VanDerWaalsContact OE2-CG 3.31Å; E157-Q358 WeakPolarHBondContact OE2-CG 2.71Å; E157-Q358 PolarHBondContact OE2-N 2.81Å; H160-Q358 VanDerWaalsContact CD2-CA 3.44Å; H160-Q358 WeakPolarHBondContact CD2-CA 3.38Å; P161-Q358 HydrophobicContact CG-CB 4.36Å
359	K	98.6	Very high	97.3	Very high	119 Å²	119	38.8 Å²	38.8	52%	0.517	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	172	-175.3	-74.7	-177.5	-177.6	-179	0	111.4	H160 D355 R357	H160-K359 PolarHBondContact NE2-N 2.81Å; H160-K359 PolarHBondContact NE2-O 3.16Å; D355-K359 HydrophobicContact CB-CB 4Å; D355-K359 PolarHBondContact N-O 3.03Å; D355-K359 PolarHBondContact O-N 2.62Å; R357-K359 VanDerWaalsContact C-N 3.27Å; R357-K359 PolarHBondContact O-N 3.25Å
360	C	98.6	Very high	97.5	Very high	50 Å²	50	34 Å²	34	34%	0.338	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.4	170.2	-171.9	0	0	0	0	107.5	C211	C211-C360 WeakPolarHBondContact CA-SG 3.36Å; C211-C360 HydrophobicContact CB-CB 3.61Å; C211-C360 WeakPolarHBondContact CB-SG 3.39Å; C211-C360 WeakPolarHBondContact SG-CB 3.38Å; C211-C360 CovalentContact SG-SG 2.04Å; C211-C360 PolarHBondContact SG-SG 3.04Å
361	T	98.4	Very high	97.5	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.4	176.2	-172.9	0	0	0	0	110.3	R197 V352 T353 D355 S363 H364	R197-T361 HydrophobicContact CG-CG2 4.11Å; V352-T361 CarbonylContact C-O 3.09Å; V352-T361 VanDerWaalsContact CA-O 3.24Å; V352-T361 WeakPolarHBondContact CA-O 3.15Å; T353-T361 HydrophobicContact CG2-CG2 3.74Å; T353-T361 PolarHBondContact N-O 3.3Å; T353-T361 PolarHBondContact O-N 3.06Å; D355-T361 HydrophobicContact CB-CG2 4.04Å; T361-S363 PolarHBondContact OG1-N 3.47Å; T361-S363 VanDerWaalsContact OG1-N 3.15Å; T361-S363 PolarHBondContact OG1-OG 3.41Å; T361-H364 HydrophobicContact CG2-CB 4.32Å
362	E	97.9	Very high	97.6	Very high	93 Å²	93	31.2 Å²	31.2	44%	0.435	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	13.4	170.6	-63.1	177.9	-132	0	0	110.9	K117 Q350 I351 V352	K117-E362 WeakPolarHBondContact CE-OE1 3.44Å; K117-E362 IonicContact NZ-OE1 3.35Å; K117-E362 PolarHBondContact NZ-OE1 3.04Å; Q350-E362 WeakPolarHBondContact CB-O 3.45Å; I351-E362 CarbonylContact O-C 3.59Å; I351-E362 VanDerWaalsContact O-C 3.31Å; V352-E362 HydrophobicContact CG1-CG 4.14Å; V352-E362 HydrophobicContact CG2-CB 4.17Å; V352-E362 HydrophobicContact CG2-CG 4.03Å
363	S	97.1	Very high	97.6	Very high	60 Å²	60	31 Å²	31	42%	0.42	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	41.3	-170.7	74.8	0	0	0	0	113.2	I351 T361	I351-S363 PolarHBondContact O-N 3.05Å; T361-S363 PolarHBondContact OG1-N 3.47Å; T361-S363 VanDerWaalsContact OG1-N 3.15Å; T361-S363 PolarHBondContact OG1-OG 3.41Å
364	H	98	Very high	97.6	Very high	4 Å²	4	31 Å²	31	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.1	166.4	-171.8	35.7	0	0	0	110.1	H194 E201 I351 T353 T361 A369	H194-H364 AromaticContact CD2-CE1 3.91Å; H194-H364 AromaticContact NE2-CE1 3.75Å; E201-H364 IonicContact OE1-CD2 3.67Å; E201-H364 PolarHBondContact OE1-CD2 3.3Å; E201-H364 IonicContact OE1-NE2 3.52Å; E201-H364 PolarHBondContact OE1-NE2 2.97Å; I351-H364 HydrophobicContact CB-CB 4Å; I351-H364 WeakPolarHBondContact CB-O 3.17Å; I351-H364 HydrophobicContact CG2-CB 4.18Å; I351-H364 PolarHBondContact N-O 3.37Å; I351-H364 PolarHBondContact O-N 2.91Å; I351-H364 VanDerWaalsContact O-N 3.12Å; T353-H364 HydrophobicContact CG2-CB 4.11Å; T361-H364 HydrophobicContact CG2-CB 4.32Å; H364-A369 VanDerWaalsContact CD2-CB 3.42Å; H364-A369 WeakPolarHBondContact CD2-CB 3.36Å; H364-A369 WeakPolarHBondContact NE2-CB 3.37Å
365	T	96.8	Very high	97.6	Very high	60 Å²	60	31 Å²	31	37%	0.368	16%	0.158	S	C	.	.			trans	-147.9	164.5	-160.9	60.5	0	0	0	0	111	S343 Q350	S343-T365 VanDerWaalsContact OG-CA 3.28Å; S343-T365 WeakPolarHBondContact OG-CA 3.1Å; S343-T365 VanDerWaalsContact OG-CB 3.23Å; S343-T365 WeakPolarHBondContact OG-CB 3.36Å; Q350-T365 HydrophobicContact CG-CG2 4.27Å
366	G	94.4	Very high	97.6	Very high	6 Å²	6	29.9 Å²	29.9	6%	0.062	15%	0.153	C	C	.	.	S	Bend	trans	92.3	170.5	176.3	0	0	0	0	0	113.6	N295 Y329 S342 S343 S368 A369	N295-G366 VanDerWaalsContact OD1-CA 3.28Å; N295-G366 WeakPolarHBondContact OD1-CA 3.37Å; Y329-G366 VanDerWaalsContact CE2-C 3.46Å; S342-G366 WeakPolarHBondContact CB-O 3.3Å; S342-G366 PolarHBondContact OG-N 3.4Å; S342-G366 PolarHBondContact OG-O 2.73Å; S343-G366 PolarHBondContact OG-N 2.71Å; G366-S368 PolarHBondContact O-N 3.04Å; G366-A369 PolarHBondContact O-N 2.92Å
367	T	93.5	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-63.3	-21.9	171.4	51	0	0	0	0	112.3	A292 G294 N295 S319 Y329 A369 S370 A371	A292-T367 WeakPolarHBondContact CB-O 3.21Å; G294-T367 VanDerWaalsContact C-OG1 3.26Å; G294-T367 WeakPolarHBondContact O-CB 3.4Å; G294-T367 WeakPolarHBondContact O-CG2 3.4Å; G294-T367 PolarHBondContact O-OG1 3.12Å; N295-T367 PolarHBondContact ND2-OG1 3.38Å; N295-T367 PolarHBondContact OD1-N 2.68Å; N295-T367 PolarHBondContact OD1-OG1 3.18Å; N295-T367 VanDerWaalsContact OD1-OG1 3.09Å; S319-T367 VanDerWaalsContact OG-CA 3.31Å; S319-T367 WeakPolarHBondContact OG-CA 3.48Å; Y329-T367 HydrophobicContact CD2-CG2 4.07Å; Y329-T367 HydrophobicContact CE2-CG2 3.95Å; T367-A369 PolarHBondContact O-N 3.45Å; T367-S370 WeakPolarHBondContact O-CB 3.3Å; T367-S370 PolarHBondContact O-N 2.63Å; T367-A371 PolarHBondContact O-N 3.19Å
368	S	92.9	Very high	97.7	Very high	11 Å²	11	24.8 Å²	24.8	8%	0.077	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-64.6	-20.9	174	64.6	0	0	0	0	114.6	H194 S253 G366 P372	H194-S368 WeakPolarHBondContact NE2-CB 3.48Å; H194-S368 PolarHBondContact NE2-OG 3.15Å; S253-S368 VanDerWaalsContact CB-CB 3.44Å; S253-S368 VanDerWaalsContact OG-CB 3.3Å; S253-S368 WeakPolarHBondContact OG-CB 3.11Å; G366-S368 PolarHBondContact O-N 3.04Å; S368-P372 WeakPolarHBondContact O-CD 3.29Å; S368-P372 VanDerWaalsContact O-CG 3.23Å; S368-P372 WeakPolarHBondContact O-CG 3.47Å
369	A	97.6	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-88.8	-5.7	170.4	0	0	0	0	0	112.9	I351 H364 G366 T367 L373	I351-A369 HydrophobicContact CB-CB 4.26Å; I351-A369 HydrophobicContact CG1-CB 3.77Å; I351-A369 HydrophobicContact CG2-CB 4.48Å; H364-A369 VanDerWaalsContact CD2-CB 3.42Å; H364-A369 WeakPolarHBondContact CD2-CB 3.36Å; H364-A369 WeakPolarHBondContact NE2-CB 3.37Å; G366-A369 PolarHBondContact O-N 2.92Å; T367-A369 PolarHBondContact O-N 3.45Å; A369-L373 WeakPolarHBondContact O-CD1 3.36Å; A369-L373 WeakPolarHBondContact O-CG 3.4Å
370	S	98.7	Very high	97.7	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-91.5	-43.1	177.3	-91.5	0	0	0	0	112.4	S319 T340 Y341 T367 L373 A374	S319-S370 WeakPolarHBondContact OG-CB 3.18Å; S319-S370 PolarHBondContact OG-OG 3.39Å; S319-S370 VanDerWaalsContact OG-OG 3.05Å; T340-S370 PolarHBondContact O-OG 3.24Å; T340-S370 VanDerWaalsContact OG1-C 3.26Å; T340-S370 WeakPolarHBondContact OG1-CA 3.46Å; T340-S370 WeakPolarHBondContact OG1-CB 3.43Å; T340-S370 PolarHBondContact OG1-O 3.01Å; T340-S370 PolarHBondContact OG1-OG 3.49Å; Y341-S370 PolarHBondContact O-OG 3.1Å; T367-S370 WeakPolarHBondContact O-CB 3.3Å; T367-S370 PolarHBondContact O-N 2.63Å; S370-L373 PolarHBondContact O-N 2.85Å; S370-A374 PolarHBondContact O-N 2.96Å; S370-A374 VanDerWaalsContact O-N 3.09Å
371	A	98.6	Very high	97.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55.2	-42.1	176.6	0	0	0	0	0	114.1	V290 A292 T367 L373 A374 A375	V290-A371 HydrophobicContact CG1-CB 4.16Å; V290-A371 WeakPolarHBondContact CG1-O 3.45Å; A292-A371 HydrophobicContact CB-CB 4.05Å; T367-A371 PolarHBondContact O-N 3.19Å; A371-L373 PolarHBondContact O-N 3.44Å; A371-A374 WeakPolarHBondContact O-CB 3.34Å; A371-A374 PolarHBondContact O-N 3.41Å; A371-A375 PolarHBondContact O-N 2.95Å
372	P	98.8	Very high	97.8	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-65.4	-38.1	177.1	-23.2	35.2	0	0	0	113.3	C198 E201 V202 S368 A374 A375 G376	C198-P372 HydrophobicContact CB-CB 4.09Å; C198-P372 HydrophobicContact CB-CG 3.52Å; E201-P372 HydrophobicContact CB-CB 3.91Å; V202-P372 HydrophobicContact CG2-CB 3.99Å; V202-P372 WeakPolarHBondContact CG2-O 3.37Å; S368-P372 WeakPolarHBondContact O-CD 3.29Å; S368-P372 VanDerWaalsContact O-CG 3.23Å; S368-P372 WeakPolarHBondContact O-CG 3.47Å; P372-A374 VanDerWaalsContact C-N 3.33Å; P372-A374 PolarHBondContact O-N 3.13Å; P372-A375 PolarHBondContact O-N 3.45Å; P372-G376 PolarHBondContact O-N 3.48Å
373	L	98.9	Very high	97.8	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.5	-44.5	174.2	-64.6	174.8	0	0	0	110.8	Y123 L132 E201 V215 T340 Y341 I351 A369 S370 A371 G376 I377	Y123-L373 HydrophobicContact CD2-CD1 3.99Å; Y123-L373 HydrophobicContact CD2-CD2 3.82Å; Y123-L373 HydrophobicContact CE2-CD1 4.28Å; Y123-L373 HydrophobicContact CE2-CD2 3.49Å; Y123-L373 VanDerWaalsContact CE2-CD2 3.49Å; Y123-L373 HydrophobicContact CG-CD1 4.44Å; L132-L373 HydrophobicContact CD1-CB 4.07Å; L132-L373 HydrophobicContact CD1-CD1 4.09Å; E201-L373 HydrophobicContact CB-CD2 4.03Å; E201-L373 HydrophobicContact CG-CD2 4.48Å; V215-L373 HydrophobicContact CG2-CD2 3.74Å; T340-L373 HydrophobicContact CG2-CB 4.35Å; Y341-L373 WeakPolarHBondContact O-CD1 3.26Å; I351-L373 HydrophobicContact CD1-CD1 4.01Å; A369-L373 WeakPolarHBondContact O-CD1 3.36Å; A369-L373 WeakPolarHBondContact O-CG 3.4Å; S370-L373 PolarHBondContact O-N 2.85Å; A371-L373 PolarHBondContact O-N 3.44Å; L373-G376 PolarHBondContact O-N 2.87Å; L373-I377 WeakPolarHBondContact O-CG1 3.31Å; L373-I377 PolarHBondContact O-N 3.1Å
374	A	98.9	Very high	97.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62	-44	174.6	0	0	0	0	0	112.3	V290 I317 T340 S370 A371 P372 G376 I377 I378 L429	V290-A374 HydrophobicContact CG1-CB 4.02Å; I317-A374 HydrophobicContact CB-CB 4.42Å; I317-A374 HydrophobicContact CD1-CB 3.91Å; I317-A374 HydrophobicContact CG1-CB 3.62Å; I317-A374 HydrophobicContact CG2-CB 4.18Å; T340-A374 HydrophobicContact CG2-CB 4.01Å; S370-A374 PolarHBondContact O-N 2.96Å; S370-A374 VanDerWaalsContact O-N 3.09Å; A371-A374 WeakPolarHBondContact O-CB 3.34Å; A371-A374 PolarHBondContact O-N 3.41Å; P372-A374 VanDerWaalsContact C-N 3.33Å; P372-A374 PolarHBondContact O-N 3.13Å; A374-G376 VanDerWaalsContact C-N 3.26Å; A374-G376 PolarHBondContact O-N 2.84Å; A374-I377 PolarHBondContact O-N 2.85Å; A374-I377 VanDerWaalsContact O-N 3.12Å; A374-I378 WeakPolarHBondContact O-CB 3.39Å; A374-I378 WeakPolarHBondContact O-CD1 3.24Å; A374-I378 VanDerWaalsContact O-CG1 3.24Å; A374-I378 WeakPolarHBondContact O-CG1 3.37Å; A374-I378 PolarHBondContact O-N 2.86Å; A374-L429 HydrophobicContact CB-CD1 3.48Å; A374-L429 VanDerWaalsContact CB-CD1 3.48Å
375	A	98.9	Very high	97.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.6	-38.6	175.2	0	0	0	0	0	112	V149 V202 I249 V290 A371 P372 I378 A379	V149-A375 HydrophobicContact CG1-CB 4.33Å; V202-A375 HydrophobicContact CG2-CB 4.33Å; I249-A375 HydrophobicContact CG2-CB 3.96Å; V290-A375 HydrophobicContact CB-CB 4.38Å; V290-A375 HydrophobicContact CG2-CB 4.19Å; A371-A375 PolarHBondContact O-N 2.95Å; P372-A375 PolarHBondContact O-N 3.45Å; A375-I378 PolarHBondContact O-N 3.12Å; A375-A379 PolarHBondContact O-N 3.25Å
376	G	98.9	Very high	98	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.8	-46.9	171.8	0	0	0	0	0	113.2	V215 P372 L373 A374 I378 A379 L380	V215-G376 VanDerWaalsContact CG1-C 3.49Å; P372-G376 PolarHBondContact O-N 3.48Å; L373-G376 PolarHBondContact O-N 2.87Å; A374-G376 VanDerWaalsContact C-N 3.26Å; A374-G376 PolarHBondContact O-N 2.84Å; G376-I378 VanDerWaalsContact C-N 3.33Å; G376-I378 PolarHBondContact O-N 3.02Å; G376-A379 WeakPolarHBondContact O-CB 3.47Å; G376-A379 PolarHBondContact O-N 2.91Å; G376-A379 VanDerWaalsContact O-N 3.13Å; G376-L380 WeakPolarHBondContact O-CG 3.48Å; G376-L380 PolarHBondContact O-N 2.87Å; G376-L380 VanDerWaalsContact O-N 3.1Å
377	I	98.9	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-41.2	177.4	-64.5	174	0	0	0	111.2	L132 V134 V215 L373 A374 A379 L380 T381 L429 A431 M434	L132-I377 HydrophobicContact CB-CD1 4Å; L132-I377 HydrophobicContact CD1-CD1 4.17Å; L132-I377 HydrophobicContact CD2-CD1 4.38Å; L132-I377 HydrophobicContact CG-CD1 4.4Å; V134-I377 HydrophobicContact CG2-CG1 4.44Å; V215-I377 HydrophobicContact CG1-CG1 3.85Å; L373-I377 WeakPolarHBondContact O-CG1 3.31Å; L373-I377 PolarHBondContact O-N 3.1Å; A374-I377 PolarHBondContact O-N 2.85Å; A374-I377 VanDerWaalsContact O-N 3.12Å; I377-A379 VanDerWaalsContact C-N 3.26Å; I377-A379 PolarHBondContact O-N 3.28Å; I377-L380 WeakPolarHBondContact O-CB 3.42Å; I377-L380 PolarHBondContact O-N 3Å; I377-T381 PolarHBondContact O-N 3.34Å; I377-T381 PolarHBondContact O-OG1 3.37Å; I377-L429 HydrophobicContact CD1-CB 3.76Å; I377-L429 HydrophobicContact CD1-CD1 4.13Å; I377-A431 HydrophobicContact CB-CB 4.5Å; I377-A431 HydrophobicContact CD1-CB 4.39Å; I377-A431 HydrophobicContact CG1-CB 4.08Å; I377-A431 HydrophobicContact CG2-CB 3.81Å; I377-M434 HydrophobicContact CG2-CE 4.43Å; I377-M434 HydrophobicContact CG2-SD 3.54Å; I377-M434 VanDerWaalsContact CG2-SD 3.54Å
378	I	98.9	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-36.2	175.7	-69.9	164.8	0	0	0	110.3	I249 I288 V290 L315 A374 A375 G376 T381 L382 M393 M434	I249-I378 HydrophobicContact CD1-CB 4.17Å; I249-I378 HydrophobicContact CD1-CG2 3.58Å; I249-I378 HydrophobicContact CG1-CG2 3.91Å; I288-I378 HydrophobicContact CD1-CG2 3.8Å; I288-I378 HydrophobicContact CG2-CD1 4.48Å; I288-I378 HydrophobicContact CG2-CG2 4.09Å; V290-I378 HydrophobicContact CG2-CD1 3.51Å; L315-I378 HydrophobicContact CD1-CD1 3.82Å; L315-I378 HydrophobicContact CD2-CD1 4.37Å; A374-I378 WeakPolarHBondContact O-CB 3.39Å; A374-I378 WeakPolarHBondContact O-CD1 3.24Å; A374-I378 VanDerWaalsContact O-CG1 3.24Å; A374-I378 WeakPolarHBondContact O-CG1 3.37Å; A374-I378 PolarHBondContact O-N 2.86Å; A375-I378 PolarHBondContact O-N 3.12Å; G376-I378 VanDerWaalsContact C-N 3.33Å; G376-I378 PolarHBondContact O-N 3.02Å; I378-T381 WeakPolarHBondContact O-CB 3.29Å; I378-T381 PolarHBondContact O-N 3.34Å; I378-L382 PolarHBondContact O-N 2.87Å; I378-M393 HydrophobicContact CB-SD 4.3Å; I378-M393 HydrophobicContact CD1-CG 4.48Å; I378-M393 HydrophobicContact CG1-CG 4.14Å; I378-M393 HydrophobicContact CG1-SD 4.01Å; I378-M393 HydrophobicContact CG2-CE 3.83Å; I378-M393 HydrophobicContact CG2-CG 3.95Å; I378-M393 HydrophobicContact CG2-SD 3.87Å; I378-M434 HydrophobicContact CG1-CE 4.45Å
379	A	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.8	-40.9	174.1	0	0	0	0	0	112.4	I147 V149 A216 I249 A375 G376 I377 T381 L382 E383	I147-A379 HydrophobicContact CB-CB 4.32Å; I147-A379 WeakPolarHBondContact CG1-O 3.49Å; I147-A379 HydrophobicContact CG2-CB 3.85Å; V149-A379 HydrophobicContact CG2-CB 4.03Å; A216-A379 HydrophobicContact CB-CB 3.85Å; I249-A379 HydrophobicContact CD1-CB 3.77Å; A375-A379 PolarHBondContact O-N 3.25Å; G376-A379 WeakPolarHBondContact O-CB 3.47Å; G376-A379 PolarHBondContact O-N 2.91Å; G376-A379 VanDerWaalsContact O-N 3.13Å; I377-A379 VanDerWaalsContact C-N 3.26Å; I377-A379 PolarHBondContact O-N 3.28Å; A379-T381 VanDerWaalsContact C-N 3.29Å; A379-T381 PolarHBondContact O-N 2.86Å; A379-L382 PolarHBondContact O-N 2.95Å; A379-E383 PolarHBondContact O-N 2.74Å
380	L	98.9	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.3	-42	171.8	-56.4	-177.2	0	0	0	111.3	V134 A137 G144 V215 A216 G376 I377 E383 A384 A431 V435	V134-L380 HydrophobicContact CG1-CD1 4.01Å; A137-L380 HydrophobicContact CB-CD1 3.9Å; G144-L380 VanDerWaalsContact N-CD2 3.35Å; V215-L380 HydrophobicContact CG1-CD1 3.92Å; V215-L380 HydrophobicContact CG1-CG 4.41Å; A216-L380 HydrophobicContact CB-CD2 3.96Å; A216-L380 HydrophobicContact CB-CG 4.47Å; G376-L380 WeakPolarHBondContact O-CG 3.48Å; G376-L380 PolarHBondContact O-N 2.87Å; G376-L380 VanDerWaalsContact O-N 3.1Å; I377-L380 WeakPolarHBondContact O-CB 3.42Å; I377-L380 PolarHBondContact O-N 3Å; L380-E383 WeakPolarHBondContact O-CB 3.21Å; L380-E383 PolarHBondContact O-N 2.9Å; L380-A384 PolarHBondContact O-N 3.47Å; L380-A431 HydrophobicContact CD1-CB 4.44Å; L380-V435 HydrophobicContact CB-CG2 4.01Å
381	T	98.9	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.1	-40.3	-179.1	-52.6	0	0	0	0	111.9	I377 I378 A379 A384 N385 L388 M393 L396 M434 A438	I377-T381 PolarHBondContact O-N 3.34Å; I377-T381 PolarHBondContact O-OG1 3.37Å; I378-T381 WeakPolarHBondContact O-CB 3.29Å; I378-T381 PolarHBondContact O-N 3.34Å; A379-T381 VanDerWaalsContact C-N 3.29Å; A379-T381 PolarHBondContact O-N 2.86Å; T381-A384 WeakPolarHBondContact O-CB 3.43Å; T381-A384 PolarHBondContact O-N 3Å; T381-N385 PolarHBondContact O-N 2.82Å; T381-N385 VanDerWaalsContact O-N 3.09Å; T381-L388 HydrophobicContact CG2-CD1 4Å; T381-M393 HydrophobicContact CG2-CE 3.92Å; T381-M393 HydrophobicContact CG2-SD 3.91Å; T381-L396 HydrophobicContact CG2-CD1 3.8Å; T381-M434 HydrophobicContact CG2-CB 4.26Å; T381-M434 HydrophobicContact CG2-CE 4.28Å; T381-M434 WeakPolarHBondContact OG1-CB 3.39Å; T381-A438 HydrophobicContact CG2-CB 3.72Å
382	L	98.8	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.3	-31.7	174	-79.5	-169.5	0	0	0	113.1	I147 H248 I249 I288 I378 A379 A384 N385 K386 L388 M393	I147-L382 HydrophobicContact CD1-CB 3.77Å; I147-L382 HydrophobicContact CG1-CB 4.1Å; I147-L382 HydrophobicContact CG2-CB 4.44Å; I147-L382 HydrophobicContact CG2-CD1 4.35Å; H248-L382 HydrophobicContact CB-CD1 3.92Å; I249-L382 HydrophobicContact CD1-CD1 4.02Å; I249-L382 HydrophobicContact CG1-CD1 4.02Å; I288-L382 HydrophobicContact CD1-CD1 3.84Å; I288-L382 HydrophobicContact CD1-CD2 4.14Å; I288-L382 HydrophobicContact CD1-CG 4.13Å; I378-L382 PolarHBondContact O-N 2.87Å; A379-L382 PolarHBondContact O-N 2.95Å; L382-A384 VanDerWaalsContact C-N 3.28Å; L382-N385 CarbonylContact O-C 3.55Å; L382-N385 PolarHBondContact O-N 2.89Å; L382-K386 WeakPolarHBondContact O-CA 3.34Å; L382-K386 WeakPolarHBondContact O-CG 3.32Å; L382-K386 PolarHBondContact O-N 3.04Å; L382-K386 VanDerWaalsContact O-N 3.1Å; L382-L388 HydrophobicContact CD2-CB 3.96Å; L382-L388 HydrophobicContact CD2-CD1 4.38Å; L382-M393 HydrophobicContact CD2-CE 3.59Å; L382-M393 HydrophobicContact CG-CE 3.76Å
383	E	98.8	Very high	98.8	Very high	40 Å²	40	17.2 Å²	17.2	19%	0.187	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-40.6	172	-173	-175.3	-173.5	0	0	110.9	Y142 T143 G144 H145 I147 A379 L380 N385	Y142-E383 WeakPolarHBondContact CA-OE2 3.38Å; Y142-E383 HydrophobicContact CD1-CB 4.24Å; Y142-E383 HydrophobicContact CD1-CG 4Å; T143-E383 PolarHBondContact N-OE2 3.28Å; G144-E383 WeakPolarHBondContact CA-OE2 3.28Å; G144-E383 PolarHBondContact N-OE2 2.93Å; H145-E383 VanDerWaalsContact CB-OE1 3.3Å; H145-E383 WeakPolarHBondContact CB-OE1 3.06Å; H145-E383 PolarHBondContact N-OE1 3.35Å; H145-E383 PolarHBondContact N-OE2 3.03Å; H145-E383 VanDerWaalsContact N-OE2 3.12Å; I147-E383 HydrophobicContact CG1-CB 4.15Å; A379-E383 PolarHBondContact O-N 2.74Å; L380-E383 WeakPolarHBondContact O-CB 3.21Å; L380-E383 PolarHBondContact O-N 2.9Å; E383-N385 VanDerWaalsContact C-N 3.34Å; E383-N385 PolarHBondContact O-N 2.91Å
384	A	98.5	Very high	98.8	Very high	19 Å²	19	17.4 Å²	17.4	16%	0.157	9%	0.087	C	C	.	.	H	α-helix	trans	-64.8	-36	176.5	0	0	0	0	0	113.2	Y142 L380 T381 L382 V435 A438 Q439	Y142-A384 HydrophobicContact CD1-CB 3.89Å; Y142-A384 HydrophobicContact CE1-CB 3.64Å; Y142-A384 HydrophobicContact CE2-CB 4.33Å; Y142-A384 HydrophobicContact CG-CB 4.36Å; L380-A384 PolarHBondContact O-N 3.47Å; T381-A384 WeakPolarHBondContact O-CB 3.43Å; T381-A384 PolarHBondContact O-N 3Å; L382-A384 VanDerWaalsContact C-N 3.28Å; A384-V435 HydrophobicContact CB-CB 4.47Å; A384-V435 HydrophobicContact CB-CG1 3.95Å; A384-V435 HydrophobicContact CB-CG2 4.48Å; A384-A438 HydrophobicContact CB-CB 4.31Å; A384-Q439 HydrophobicContact CB-CG 4.32Å
385	N	98.6	Very high	98.8	Very high	26 Å²	26	17.5 Å²	17.5	14%	0.139	9%	0.088	C	C	.	.			trans	-148.1	101.5	173.4	-174.4	-9.6	0	0	0	111.6	T381 L382 E383 N387 L388 A438	T381-N385 PolarHBondContact O-N 2.82Å; T381-N385 VanDerWaalsContact O-N 3.09Å; L382-N385 CarbonylContact O-C 3.55Å; L382-N385 PolarHBondContact O-N 2.89Å; E383-N385 VanDerWaalsContact C-N 3.34Å; E383-N385 PolarHBondContact O-N 2.91Å; N385-N387 PolarHBondContact O-N 3.05Å; N385-N387 WeakPolarHBondContact OD1-CB 3.19Å; N385-N387 PolarHBondContact OD1-N 3.32Å; N385-L388 HydrophobicContact CB-CD1 4Å; N385-L388 HydrophobicContact CB-CD2 4.42Å; N385-L388 HydrophobicContact CB-CG 3.86Å; N385-L388 WeakPolarHBondContact O-CD1 3.33Å; N385-L388 VanDerWaalsContact O-CG 3.3Å; N385-L388 WeakPolarHBondContact O-CG 3.39Å; N385-L388 PolarHBondContact O-N 2.78Å; N385-A438 HydrophobicContact CB-CB 4.28Å; N385-A438 WeakPolarHBondContact CB-O 3.46Å; N385-A438 PolarHBondContact ND2-O 3.49Å
386	K	98.3	Very high	98.8	Very high	100 Å²	100	17.5 Å²	17.5	44%	0.435	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.5	-178.5	-67.2	-169.4	179.3	-165.9	0	114.1	I147 R282 L285 L382 L388	I147-K386 HydrophobicContact CD1-CD 4.46Å; I147-K386 HydrophobicContact CD1-CG 4.33Å; R282-K386 PolarHBondContact NH2-O 2.77Å; L285-K386 VanDerWaalsContact CD1-O 3.28Å; L285-K386 WeakPolarHBondContact CD1-O 3.3Å; L382-K386 WeakPolarHBondContact O-CA 3.34Å; L382-K386 WeakPolarHBondContact O-CG 3.32Å; L382-K386 PolarHBondContact O-N 3.04Å; L382-K386 VanDerWaalsContact O-N 3.1Å; K386-L388 VanDerWaalsContact C-N 3.33Å
387	N	98.2	Very high	98.8	Very high	113 Å²	113	17.5 Å²	17.5	60%	0.604	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-1.3	-178.2	-59.8	-26.5	0	0	0	113	L285 N385 T389	L285-N387 WeakPolarHBondContact CD2-O 3.46Å; N385-N387 PolarHBondContact O-N 3.05Å; N385-N387 WeakPolarHBondContact OD1-CB 3.19Å; N385-N387 PolarHBondContact OD1-N 3.32Å; N387-T389 PolarHBondContact O-N 2.93Å
388	L	98.8	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.			trans	-63.7	127	176.2	-64.5	171.3	0	0	0	110.7	R282 T381 L382 N385 K386 D392 M393 L396 A438 W441	R282-L388 PolarHBondContact NH1-O 2.91Å; R282-L388 PolarHBondContact NH2-O 3.05Å; T381-L388 HydrophobicContact CG2-CD1 4Å; L382-L388 HydrophobicContact CD2-CB 3.96Å; L382-L388 HydrophobicContact CD2-CD1 4.38Å; N385-L388 HydrophobicContact CB-CD1 4Å; N385-L388 HydrophobicContact CB-CD2 4.42Å; N385-L388 HydrophobicContact CB-CG 3.86Å; N385-L388 WeakPolarHBondContact O-CD1 3.33Å; N385-L388 VanDerWaalsContact O-CG 3.3Å; N385-L388 WeakPolarHBondContact O-CG 3.39Å; N385-L388 PolarHBondContact O-N 2.78Å; K386-L388 VanDerWaalsContact C-N 3.33Å; L388-D392 HydrophobicContact CB-CB 4.17Å; L388-D392 HydrophobicContact CD2-CB 3.8Å; L388-M393 HydrophobicContact CD1-CE 3.87Å; L388-L396 HydrophobicContact CD1-CD1 3.56Å; L388-L396 HydrophobicContact CD2-CD1 3.95Å; L388-L396 HydrophobicContact CG-CD1 4.41Å; L388-A438 HydrophobicContact CD1-CB 4.02Å; L388-W441 HydrophobicContact CD2-CB 4.05Å; L388-W441 VanDerWaalsContact CD2-CD1 3.43Å; L388-W441 HydrophobicContact CD2-CG 3.9Å
389	T	98.9	Very high	98.8	Very high	22 Å²	22	21 Å²	21	14%	0.135	10%	0.104	C	C	.	.			trans	-74.3	168.3	170.4	67.4	0	0	0	0	111.4	L285 N387 R391 D392 M393 T443	L285-T389 HydrophobicContact CD2-CG2 4.08Å; L285-T389 CarbonylContact O-C 3.58Å; L285-T389 WeakPolarHBondContact O-CA 3.31Å; L285-T389 WeakPolarHBondContact O-CB 2.95Å; N387-T389 PolarHBondContact O-N 2.93Å; T389-R391 VanDerWaalsContact C-N 3.26Å; T389-R391 PolarHBondContact O-N 3.5Å; T389-D392 WeakPolarHBondContact CB-OD2 3.25Å; T389-D392 WeakPolarHBondContact CG2-OD2 3.23Å; T389-D392 PolarHBondContact N-OD2 3.49Å; T389-D392 PolarHBondContact O-N 3.09Å; T389-D392 PolarHBondContact OG1-N 2.73Å; T389-D392 VanDerWaalsContact OG1-N 3.1Å; T389-D392 PolarHBondContact OG1-OD2 3.24Å; T389-M393 PolarHBondContact O-N 3.34Å; T389-M393 VanDerWaalsContact O-N 3.12Å; T389-T443 HydrophobicContact CG2-CG2 3.97Å
390	W	98.8	Very high	98.8	Very high	26 Å²	26	21.3 Å²	21.3	10%	0.098	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-37.5	174.2	71	-85.7	0	0	0	112.6	V278 L285 I312 Y313 Q394	V278-W390 HydrophobicContact CB-CD2 3.91Å; V278-W390 HydrophobicContact CB-CG 3.93Å; V278-W390 HydrophobicContact CB-CZ2 4.39Å; V278-W390 HydrophobicContact CG1-CD2 3.98Å; V278-W390 HydrophobicContact CG1-CE3 4.29Å; V278-W390 HydrophobicContact CG1-CG 4.12Å; V278-W390 HydrophobicContact CG2-CZ2 4.38Å; V278-W390 VanDerWaalsContact O-CD1 3.26Å; V278-W390 PolarHBondContact O-NE1 2.71Å; L285-W390 PolarHBondContact O-N 3.49Å; I312-W390 WeakPolarHBondContact O-CZ3 3.41Å; Y313-W390 HydrophobicContact CD1-CH2 4.07Å; Y313-W390 HydrophobicContact CD1-CZ2 4.46Å; Y313-W390 HydrophobicContact CD1-CZ3 4.41Å; Y313-W390 HydrophobicContact CE1-CH2 4.46Å; W390-Q394 PolarHBondContact O-N 2.79Å
391	R	98.8	Very high	98.7	Very high	15 Å²	15	21.9 Å²	21.9	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-70.9	-43	174.9	-81.9	164.7	61.9	-120.9	1.1	112.3	T389 M393 Q394 H395 V444 G445 E485	T389-R391 VanDerWaalsContact C-N 3.26Å; T389-R391 PolarHBondContact O-N 3.5Å; R391-M393 PolarHBondContact O-N 2.74Å; R391-Q394 PolarHBondContact O-N 3.04Å; R391-H395 PolarHBondContact O-CD2 3.14Å; R391-H395 VanDerWaalsContact O-CD2 3.25Å; R391-H395 PolarHBondContact O-N 2.89Å; R391-V444 HydrophobicContact CB-CG2 4.19Å; R391-G445 PolarHBondContact NH1-O 3.12Å; R391-G445 PolarHBondContact NH2-O 3.42Å; R391-E485 IonicContact CZ-OE1 3.36Å; R391-E485 VanDerWaalsContact CZ-OE1 3.27Å; R391-E485 IonicContact CZ-OE2 2.81Å; R391-E485 IonicContact NE-OE1 3.61Å; R391-E485 PolarHBondContact NE-OE1 3.37Å; R391-E485 VanDerWaalsContact NE-OE1 3.16Å; R391-E485 IonicContact NE-OE2 3.84Å; R391-E485 PolarHBondContact NE-OE2 3.21Å; R391-E485 IonicContact NH2-OE1 3.25Å; R391-E485 PolarHBondContact NH2-OE1 2.82Å; R391-E485 IonicContact NH2-OE2 2.86Å; R391-E485 PolarHBondContact NH2-OE2 2.8Å
392	D	98.9	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.3	-40.2	176.3	-66.8	-47.1	0	0	0	111	L388 T389 Q394 H395 L396 W441 T443 V444	L388-D392 HydrophobicContact CB-CB 4.17Å; L388-D392 HydrophobicContact CD2-CB 3.8Å; T389-D392 WeakPolarHBondContact CB-OD2 3.25Å; T389-D392 WeakPolarHBondContact CG2-OD2 3.23Å; T389-D392 PolarHBondContact N-OD2 3.49Å; T389-D392 PolarHBondContact O-N 3.09Å; T389-D392 PolarHBondContact OG1-N 2.73Å; T389-D392 VanDerWaalsContact OG1-N 3.1Å; T389-D392 PolarHBondContact OG1-OD2 3.24Å; D392-Q394 PolarHBondContact O-N 2.93Å; D392-H395 PolarHBondContact O-N 3.36Å; D392-L396 WeakPolarHBondContact O-CG 3.45Å; D392-L396 PolarHBondContact O-N 3.39Å; D392-W441 VanDerWaalsContact CG-NE1 3.31Å; D392-W441 PolarHBondContact OD1-NE1 2.72Å; D392-T443 WeakPolarHBondContact OD1-CA 3.37Å; D392-T443 WeakPolarHBondContact OD2-CG2 3.48Å; D392-V444 WeakPolarHBondContact OD1-CG2 3.08Å; D392-V444 PolarHBondContact OD1-N 3.25Å
393	M	98.9	Very high	98.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-44.1	176.5	-168.3	61.6	61.2	0	0	112.4	I288 L315 I378 T381 L382 L388 T389 R391 L396 V397 M434	I288-M393 HydrophobicContact CD1-CB 4.04Å; I288-M393 HydrophobicContact CD1-CE 3.92Å; I288-M393 HydrophobicContact CD1-CG 4.04Å; L315-M393 HydrophobicContact CD1-CG 4.02Å; I378-M393 HydrophobicContact CB-SD 4.3Å; I378-M393 HydrophobicContact CD1-CG 4.48Å; I378-M393 HydrophobicContact CG1-CG 4.14Å; I378-M393 HydrophobicContact CG1-SD 4.01Å; I378-M393 HydrophobicContact CG2-CE 3.83Å; I378-M393 HydrophobicContact CG2-CG 3.95Å; I378-M393 HydrophobicContact CG2-SD 3.87Å; T381-M393 HydrophobicContact CG2-CE 3.92Å; T381-M393 HydrophobicContact CG2-SD 3.91Å; L382-M393 HydrophobicContact CD2-CE 3.59Å; L382-M393 HydrophobicContact CG-CE 3.76Å; L388-M393 HydrophobicContact CD1-CE 3.87Å; T389-M393 PolarHBondContact O-N 3.34Å; T389-M393 VanDerWaalsContact O-N 3.12Å; R391-M393 PolarHBondContact O-N 2.74Å; M393-L396 PolarHBondContact O-N 3.41Å; M393-V397 WeakPolarHBondContact O-CG2 3.48Å; M393-V397 PolarHBondContact O-N 3.07Å; M393-M434 HydrophobicContact SD-CE 3.86Å
394	Q	98.9	Very high	98.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-42.2	176	-64.9	-175.9	4.4	0	0	111.4	I312 T314 L315 L337 W390 R391 D392 L396 V397 V398 H486 W539	I312-Q394 PolarHBondContact O-NE2 2.99Å; T314-Q394 PolarHBondContact O-NE2 2.74Å; L315-Q394 HydrophobicContact CD1-CG 4.13Å; L315-Q394 HydrophobicContact CG-CG 4.29Å; L337-Q394 HydrophobicContact CD1-CB 4.03Å; L337-Q394 HydrophobicContact CD1-CG 3.76Å; W390-Q394 PolarHBondContact O-N 2.79Å; R391-Q394 PolarHBondContact O-N 3.04Å; D392-Q394 PolarHBondContact O-N 2.93Å; Q394-L396 VanDerWaalsContact C-N 3.35Å; Q394-L396 PolarHBondContact O-N 3.5Å; Q394-V397 WeakPolarHBondContact O-CB 3.35Å; Q394-V397 PolarHBondContact O-N 3.09Å; Q394-V398 WeakPolarHBondContact O-CG2 3.22Å; Q394-V398 PolarHBondContact O-N 3.45Å; Q394-H486 PolarHBondContact OE1-CE1 3.15Å; Q394-H486 PolarHBondContact OE1-NE2 3.32Å; Q394-W539 HydrophobicContact CB-CH2 3.73Å; Q394-W539 HydrophobicContact CB-CZ2 4.2Å
395	H	98.9	Very high	98.3	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-43.1	174	-83.8	-85.9	0	0	0	112.6	R391 D392 V397 V398 Q399 W441 E485 W539	R391-H395 PolarHBondContact O-CD2 3.14Å; R391-H395 VanDerWaalsContact O-CD2 3.25Å; R391-H395 PolarHBondContact O-N 2.89Å; D392-H395 PolarHBondContact O-N 3.36Å; H395-V397 VanDerWaalsContact C-N 3.34Å; H395-V397 PolarHBondContact O-N 3.14Å; H395-V398 PolarHBondContact O-N 2.94Å; H395-Q399 WeakPolarHBondContact O-CG 3.34Å; H395-Q399 PolarHBondContact O-N 3.28Å; H395-W441 HydrophobicContact CB-CH2 3.68Å; H395-W441 HydrophobicContact CB-CZ2 3.51Å; H395-E485 IonicContact CD2-OE1 3.95Å; H395-E485 IonicContact CE1-OE1 3.16Å; H395-E485 IonicContact NE2-OE1 3.27Å; H395-E485 PolarHBondContact NE2-OE1 3.37Å; H395-W539 AromaticContact CD2-CZ2 3.68Å; H395-W539 AromaticContact CE1-CE2 3.77Å; H395-W539 AromaticContact CE1-CZ2 3.87Å; H395-W539 AromaticContact CE1-NE1 3.12Å; H395-W539 PolarHBondContact CE1-NE1 3.47Å; H395-W539 AromaticContact CG-CZ2 3.91Å; H395-W539 AromaticContact CG-NE1 3.79Å; H395-W539 AromaticContact ND1-CE2 3.87Å; H395-W539 AromaticContact ND1-NE1 3.09Å; H395-W539 PolarHBondContact ND1-NE1 3.04Å; H395-W539 AromaticContact NE2-CZ2 3.64Å; H395-W539 AromaticContact NE2-NE1 3.82Å
396	L	98.9	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-43.4	176.4	-72	175.8	0	0	0	111.1	T381 L388 D392 M393 Q394 Q399 T400 L437 A438 W441	T381-L396 HydrophobicContact CG2-CD1 3.8Å; L388-L396 HydrophobicContact CD1-CD1 3.56Å; L388-L396 HydrophobicContact CD2-CD1 3.95Å; L388-L396 HydrophobicContact CG-CD1 4.41Å; D392-L396 WeakPolarHBondContact O-CG 3.45Å; D392-L396 PolarHBondContact O-N 3.39Å; M393-L396 PolarHBondContact O-N 3.41Å; Q394-L396 VanDerWaalsContact C-N 3.35Å; Q394-L396 PolarHBondContact O-N 3.5Å; L396-Q399 PolarHBondContact O-N 2.94Å; L396-T400 WeakPolarHBondContact O-CB 3.3Å; L396-T400 WeakPolarHBondContact O-CG2 3.18Å; L396-T400 PolarHBondContact O-N 3.5Å; L396-T400 PolarHBondContact O-OG1 3.27Å; L396-L437 HydrophobicContact CD2-CB 3.97Å; L396-L437 HydrophobicContact CD2-CD2 3.58Å; L396-L437 HydrophobicContact CD2-CG 3.53Å; L396-A438 HydrophobicContact CD1-CB 3.97Å; L396-W441 HydrophobicContact CD2-CB 4.44Å; L396-W441 HydrophobicContact CD2-CD2 3.74Å; L396-W441 HydrophobicContact CD2-CE3 3.45Å; L396-W441 VanDerWaalsContact CD2-CE3 3.45Å; L396-W441 HydrophobicContact CD2-CG 4.18Å; L396-W441 HydrophobicContact CD2-CZ3 3.95Å; L396-W441 HydrophobicContact CG-CD2 4.28Å; L396-W441 HydrophobicContact CG-CE3 4.37Å
397	V	98.9	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-48.4	176.1	167.8	0	0	0	0	111.4	L315 L337 A338 M393 Q394 H395 Q399 T400 S401 L429 M434	L315-V397 HydrophobicContact CD1-CG2 4.1Å; L337-V397 HydrophobicContact CB-CG1 4.34Å; A338-V397 HydrophobicContact CB-CG1 3.45Å; A338-V397 VanDerWaalsContact CB-CG1 3.45Å; M393-V397 WeakPolarHBondContact O-CG2 3.48Å; M393-V397 PolarHBondContact O-N 3.07Å; Q394-V397 WeakPolarHBondContact O-CB 3.35Å; Q394-V397 PolarHBondContact O-N 3.09Å; H395-V397 VanDerWaalsContact C-N 3.34Å; H395-V397 PolarHBondContact O-N 3.14Å; V397-Q399 VanDerWaalsContact C-N 3.28Å; V397-Q399 PolarHBondContact O-N 2.96Å; V397-T400 PolarHBondContact O-N 3.32Å; V397-S401 VanDerWaalsContact O-CB 3.3Å; V397-S401 WeakPolarHBondContact O-CB 3.21Å; V397-S401 PolarHBondContact O-N 2.73Å; V397-S401 VanDerWaalsContact O-N 3.1Å; V397-S401 PolarHBondContact O-OG 2.94Å; V397-L429 HydrophobicContact CB-CD2 4.35Å; V397-L429 HydrophobicContact CG1-CD2 3.73Å; V397-L429 HydrophobicContact CG2-CD2 3.91Å; V397-M434 HydrophobicContact CG2-CE 3.6Å; V397-M434 HydrophobicContact CG2-SD 4.26Å
398	V	98.8	Very high	98.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.03	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-39.3	178.7	170.7	0	0	0	0	111.9	L337 Q394 H395 Y426 W539	L337-V398 HydrophobicContact CD2-CG2 3.75Å; Q394-V398 WeakPolarHBondContact O-CG2 3.22Å; Q394-V398 PolarHBondContact O-N 3.45Å; H395-V398 PolarHBondContact O-N 2.94Å; V398-Y426 HydrophobicContact CB-CD2 4.26Å; V398-Y426 HydrophobicContact CB-CE2 4.34Å; V398-Y426 HydrophobicContact CB-CG 4.47Å; V398-Y426 HydrophobicContact CG1-CD1 4Å; V398-Y426 HydrophobicContact CG1-CD2 4.16Å; V398-Y426 HydrophobicContact CG1-CE1 3.75Å; V398-Y426 HydrophobicContact CG1-CE2 3.94Å; V398-Y426 HydrophobicContact CG1-CG 4.19Å; V398-Y426 HydrophobicContact CG2-CD2 3.81Å; V398-Y426 HydrophobicContact CG2-CE2 3.72Å; V398-Y426 HydrophobicContact CG2-CG 4.48Å; V398-W539 HydrophobicContact CG1-CB 4.24Å; V398-W539 HydrophobicContact CG1-CG 4.07Å; V398-W539 HydrophobicContact CG2-CD2 3.92Å; V398-W539 HydrophobicContact CG2-CE3 4.21Å; V398-W539 HydrophobicContact CG2-CG 4.11Å
399	Q	98.6	Very high	98.1	Very high	69 Å²	69	34.9 Å²	34.9	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-83.3	-23	-175.8	-69.1	-171.2	31.2	0	0	114.7	H395 L396 V397 L437 W441	H395-Q399 WeakPolarHBondContact O-CG 3.34Å; H395-Q399 PolarHBondContact O-N 3.28Å; L396-Q399 PolarHBondContact O-N 2.94Å; V397-Q399 VanDerWaalsContact C-N 3.28Å; V397-Q399 PolarHBondContact O-N 2.96Å; Q399-L437 HydrophobicContact CB-CD2 4.01Å; Q399-W441 VanDerWaalsContact NE2-CH2 3.34Å
400	T	98.8	Very high	98.1	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-109.5	-24.2	-169.8	58.9	0	0	0	0	114.2	L396 V397 K402 A433 M434 L437	L396-T400 WeakPolarHBondContact O-CB 3.3Å; L396-T400 WeakPolarHBondContact O-CG2 3.18Å; L396-T400 PolarHBondContact O-N 3.5Å; L396-T400 PolarHBondContact O-OG1 3.27Å; V397-T400 PolarHBondContact O-N 3.32Å; T400-K402 WeakPolarHBondContact O-CD 3.37Å; T400-K402 VanDerWaalsContact O-CE 3.22Å; T400-K402 WeakPolarHBondContact O-CE 3.46Å; T400-K402 PolarHBondContact O-NZ 2.96Å; T400-A433 HydrophobicContact CG2-CB 4.27Å; T400-M434 WeakPolarHBondContact OG1-CG 3.47Å; T400-L437 HydrophobicContact CG2-CB 4.03Å; T400-L437 HydrophobicContact CG2-CD2 3.52Å; T400-L437 HydrophobicContact CG2-CG 4.43Å
401	S	98.7	Very high	98	Very high	12 Å²	12	37.2 Å²	37.2	8%	0.084	20%	0.2	C	C	.	.			trans	-54	148.6	177.3	-70	0	0	0	0	113.2	V397 Y426 L428	V397-S401 VanDerWaalsContact O-CB 3.3Å; V397-S401 WeakPolarHBondContact O-CB 3.21Å; V397-S401 PolarHBondContact O-N 2.73Å; V397-S401 VanDerWaalsContact O-N 3.1Å; V397-S401 PolarHBondContact O-OG 2.94Å; S401-Y426 WeakPolarHBondContact CB-O 3.49Å; S401-L428 CarbonylContact C-O 3.52Å; S401-L428 VanDerWaalsContact CA-O 3.29Å; S401-L428 WeakPolarHBondContact CA-O 3.14Å
402	K	98.3	Very high	98	Very high	87 Å²	87	38.8 Å²	38.8	38%	0.378	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-116.3	114.8	-171.6	-56.5	-58.2	-178.9	-158	0	111.4	T400 A404 L428 D430	T400-K402 WeakPolarHBondContact O-CD 3.37Å; T400-K402 VanDerWaalsContact O-CE 3.22Å; T400-K402 WeakPolarHBondContact O-CE 3.46Å; T400-K402 PolarHBondContact O-NZ 2.96Å; K402-A404 PolarHBondContact O-N 3.45Å; K402-L428 PolarHBondContact N-O 2.89Å; K402-L428 PolarHBondContact O-N 3.11Å; K402-D430 WeakPolarHBondContact CE-OD2 3.5Å; K402-D430 HydrophobicContact CG-CB 4.04Å
403	P	97.9	Very high	98	Very high	35 Å²	35	43.1 Å²	43.1	23%	0.227	24%	0.242	C	C	.	.			trans	-70	-14.7	169.5	-21.3	32.9	0	0	0	113.9	L406 W411 K419	P403-L406 PolarHBondContact O-N 3.3Å; P403-W411 HydrophobicContact CB-CE3 4.38Å; P403-W411 HydrophobicContact CB-CH2 3.63Å; P403-W411 HydrophobicContact CB-CZ2 3.9Å; P403-W411 HydrophobicContact CB-CZ3 3.87Å; P403-W411 HydrophobicContact CG-CH2 4.2Å; P403-W411 HydrophobicContact CG-CZ3 4.17Å; P403-K419 HydrophobicContact CB-CB 4.24Å; P403-K419 HydrophobicContact CB-CD 4.43Å; P403-K419 HydrophobicContact CG-CB 3.88Å
404	A	94.5	Very high	98	Very high	61 Å²	61	43.5 Å²	43.5	50%	0.504	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	144.1	-175	0	0	0	0	0	111.3	K402 L406	K402-A404 PolarHBondContact O-N 3.45Å; A404-L406 PolarHBondContact O-N 3.36Å; A404-L406 VanDerWaalsContact O-N 3.1Å
405	H	94.1	Very high	97.9	Very high	89 Å²	89	44.6 Å²	44.6	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	7.3	177.8	-52.1	152	0	0	0	116.1	Q129 R130 G324	Q129-H405 PolarHBondContact O-ND1 2.81Å; R130-H405 PolarHBondContact NH1-O 3.15Å; R130-H405 VanDerWaalsContact NH1-O 3.15Å; G324-H405 WeakPolarHBondContact CA-O 3.44Å
406	L	97.9	Very high	97.9	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	27%	0.273	C	S	.	.			trans	-104.9	122.2	173.7	-64.9	-174.4	0	0	0	111.3	A320 G324 P403 A404 W411 Y424 L428	A320-L406 HydrophobicContact CB-CD2 3.53Å; G324-L406 CarbonylContact O-C 3.58Å; G324-L406 WeakPolarHBondContact O-CA 3.28Å; P403-L406 PolarHBondContact O-N 3.3Å; A404-L406 PolarHBondContact O-N 3.36Å; A404-L406 VanDerWaalsContact O-N 3.1Å; L406-W411 HydrophobicContact CB-CZ2 4.05Å; L406-W411 HydrophobicContact CD1-CZ2 4.48Å; L406-W411 PolarHBondContact O-NE1 2.98Å; L406-W411 VanDerWaalsContact O-NE1 3.11Å; L406-Y424 HydrophobicContact CB-CD2 3.93Å; L406-Y424 HydrophobicContact CB-CE2 3.7Å; L406-Y424 HydrophobicContact CD1-CD1 4.2Å; L406-Y424 HydrophobicContact CD1-CD2 4.15Å; L406-Y424 HydrophobicContact CD1-CG 3.96Å; L406-L428 HydrophobicContact CD1-CB 4.01Å
407	N	97.9	Very high	97.9	Very high	86 Å²	86	50 Å²	50	46%	0.46	30%	0.3	S	S	.	.			trans	-96.1	115.2	-177.4	-54	-42.7	0	0	0	109.4	G324 N325 Y424	G324-N407 PolarHBondContact O-N 3.15Å; N325-N407 PolarHBondContact OD1-ND2 3.48Å; N407-Y424 WeakPolarHBondContact O-CE2 3.22Å; N407-Y424 PolarHBondContact O-OH 3.47Å
408	A	97.6	Very high	97.8	Very high	21 Å²	21	52.8 Å²	52.8	17%	0.174	31%	0.311	C	S	.	.			trans	-145.7	149.6	169.5	0	0	0	0	0	109.2	V326 D410 Y424	V326-A408 HydrophobicContact CG2-CB 4.5Å; A408-D410 VanDerWaalsContact C-N 3.33Å; A408-D410 WeakPolarHBondContact CB-OD1 3.08Å; A408-Y424 HydrophobicContact CB-CD2 3.82Å; A408-Y424 HydrophobicContact CB-CE2 3.58Å
409	N	97.3	Very high	97.8	Very high	184 Å²	184	57 Å²	57	98%	0.984	33%	0.329	S	S	*	.	S	Bend	trans	-85	-9.9	-179.2	-65.2	-29.7	0	0	0	112.9
410	D	97.8	Very high	97.9	Very high	51 Å²	51	53.8 Å²	53.8	27%	0.273	31%	0.314	S	S	.	.			trans	-111.7	13.5	-170.3	78.8	-39.5	0	0	0	113.6	A408 A412 S421 H422	A408-D410 VanDerWaalsContact C-N 3.33Å; A408-D410 WeakPolarHBondContact CB-OD1 3.08Å; D410-A412 PolarHBondContact O-N 3.25Å; D410-S421 WeakPolarHBondContact OD1-CB 3.46Å; D410-S421 PolarHBondContact OD1-OG 3.33Å; D410-S421 PolarHBondContact OD2-OG 2.95Å; D410-H422 WeakPolarHBondContact OD2-CB 3.47Å; D410-H422 IonicContact OD2-CG 3.13Å; D410-H422 PolarHBondContact OD2-N 2.85Å; D410-H422 IonicContact OD2-ND1 2.94Å; D410-H422 PolarHBondContact OD2-ND1 3.35Å
411	W	98.6	Very high	97.9	Very high	47 Å²	47	53.5 Å²	53.5	18%	0.178	31%	0.312	C	S	.	.			trans	-56.9	113.9	173.8	-80	116	0	0	0	110.7	P403 L406 K419 V420 Y424	P403-W411 HydrophobicContact CB-CE3 4.38Å; P403-W411 HydrophobicContact CB-CH2 3.63Å; P403-W411 HydrophobicContact CB-CZ2 3.9Å; P403-W411 HydrophobicContact CB-CZ3 3.87Å; P403-W411 HydrophobicContact CG-CH2 4.2Å; P403-W411 HydrophobicContact CG-CZ3 4.17Å; L406-W411 HydrophobicContact CB-CZ2 4.05Å; L406-W411 HydrophobicContact CD1-CZ2 4.48Å; L406-W411 PolarHBondContact O-NE1 2.98Å; L406-W411 VanDerWaalsContact O-NE1 3.11Å; W411-K419 HydrophobicContact CE3-CB 3.87Å; W411-K419 HydrophobicContact CZ3-CB 4.18Å; W411-V420 VanDerWaalsContact CE3-C 3.45Å; W411-Y424 HydrophobicContact CH2-CD2 4.3Å; W411-Y424 AromaticContact CZ2-CD2 3.58Å; W411-Y424 HydrophobicContact CZ2-CD2 3.58Å; W411-Y424 HydrophobicContact CZ2-CE2 4.43Å; W411-Y424 HydrophobicContact CZ2-CG 4.29Å
412	A	98.6	Very high	97.9	Very high	47 Å²	47	54 Å²	54	39%	0.388	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.6	174.1	0	0	0	0	0	110.2	D410 K419 V420	D410-A412 PolarHBondContact O-N 3.25Å; A412-K419 CarbonylContact O-C 3.58Å; A412-K419 VanDerWaalsContact O-CA 3.26Å; A412-K419 WeakPolarHBondContact O-CA 3.25Å; A412-V420 PolarHBondContact N-O 2.89Å; A412-V420 PolarHBondContact O-N 3.01Å
413	T	98.7	Very high	97.9	Very high	92 Å²	92	50.6 Å²	50.6	56%	0.564	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.6	171.5	-55.4	0	0	0	0	108.4	R418	T413-R418 CarbonylContact C-O 3.37Å; T413-R418 WeakPolarHBondContact CA-O 3.33Å
414	N	98.4	Very high	97.9	Very high	8 Å²	8	49 Å²	49	4%	0.043	29%	0.29	C	S	.	.			trans	-79.5	177.9	179.3	78.4	-3.9	0	0	0	112.1	V416 G417 R418 V420 T511 H537 E541	N414-V416 PolarHBondContact O-N 3.29Å; N414-V416 VanDerWaalsContact O-N 3.1Å; N414-V416 WeakPolarHBondContact OD1-CG2 3.46Å; N414-V416 PolarHBondContact OD1-N 3.4Å; N414-G417 PolarHBondContact O-N 2.79Å; N414-G417 PolarHBondContact OD1-N 3.37Å; N414-R418 PolarHBondContact N-O 3.29Å; N414-R418 PolarHBondContact OD1-N 2.81Å; N414-R418 PolarHBondContact OD1-O 3.27Å; N414-V420 HydrophobicContact CB-CG1 4.48Å; N414-T511 VanDerWaalsContact CA-OG1 3.29Å; N414-T511 WeakPolarHBondContact CA-OG1 3.49Å; N414-T511 HydrophobicContact CB-CG2 3.91Å; N414-H537 VanDerWaalsContact CB-O 3.23Å; N414-H537 WeakPolarHBondContact CB-O 3.31Å; N414-H537 PolarHBondContact ND2-O 3.08Å; N414-E541 WeakPolarHBondContact CB-OE1 3.34Å
415	G	97.8	Very high	98.1	Very high	27 Å²	27	46 Å²	46	28%	0.278	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.7	-173.7	0	0	0	0	0	114.9	M509 T511 E541	G415-M509 WeakPolarHBondContact O-CE 3.28Å; G415-T511 PolarHBondContact N-OG1 3.27Å; G415-T511 VanDerWaalsContact N-OG1 3.14Å; G415-E541 WeakPolarHBondContact CA-OE1 3.33Å; G415-E541 PolarHBondContact N-OE1 2.92Å
416	V	98.1	Very high	98.4	Very high	59 Å²	59	42 Å²	42	36%	0.358	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10	178.1	-62.6	0	0	0	0	113.3	N414 R418 D540 E541	N414-V416 PolarHBondContact O-N 3.29Å; N414-V416 VanDerWaalsContact O-N 3.1Å; N414-V416 WeakPolarHBondContact OD1-CG2 3.46Å; N414-V416 PolarHBondContact OD1-N 3.4Å; V416-R418 HydrophobicContact CG2-CG 4.35Å; V416-D540 HydrophobicContact CG1-CB 4.16Å; V416-D540 WeakPolarHBondContact CG1-O 3.29Å; V416-D540 HydrophobicContact CG2-CB 4.24Å; V416-E541 HydrophobicContact CG1-CG 4.26Å
417	G	98.1	Very high	98.4	Very high	55 Å²	55	41.6 Å²	41.6	57%	0.567	25%	0.245	S	C	*	.	S	Bend	trans	86	14.3	172.2	0	0	0	0	0	115.4	N414	N414-G417 PolarHBondContact O-N 2.79Å; N414-G417 PolarHBondContact OD1-N 3.37Å
418	R	98.6	Very high	98.4	Very high	60 Å²	60	38 Å²	38	23%	0.226	23%	0.226	C	C	.	.			trans	-93	140.2	175.6	-61.7	-168.8	-173.3	99.9	-1.7	111	T413 N414 V416 Y426 D540	T413-R418 CarbonylContact C-O 3.37Å; T413-R418 WeakPolarHBondContact CA-O 3.33Å; N414-R418 PolarHBondContact N-O 3.29Å; N414-R418 PolarHBondContact OD1-N 2.81Å; N414-R418 PolarHBondContact OD1-O 3.27Å; V416-R418 HydrophobicContact CG2-CG 4.35Å; R418-Y426 HydrophobicContact CB-CD1 4.2Å; R418-Y426 HydrophobicContact CB-CE1 3.98Å; R418-D540 IonicContact CZ-OD2 2.62Å; R418-D540 IonicContact NH1-OD2 3.42Å; R418-D540 PolarHBondContact NH1-OD2 3.31Å; R418-D540 IonicContact NH2-OD2 3.66Å; R418-D540 PolarHBondContact NH2-OD2 3.01Å
419	K	98.7	Very high	98.5	Very high	94 Å²	94	37.1 Å²	37.1	41%	0.409	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	131.8	170.8	-64.6	-172.2	72.2	-164.2	0	109.8	P403 W411 A412	P403-K419 HydrophobicContact CB-CB 4.24Å; P403-K419 HydrophobicContact CB-CD 4.43Å; P403-K419 HydrophobicContact CG-CB 3.88Å; W411-K419 HydrophobicContact CE3-CB 3.87Å; W411-K419 HydrophobicContact CZ3-CB 4.18Å; A412-K419 CarbonylContact O-C 3.58Å; A412-K419 VanDerWaalsContact O-CA 3.26Å; A412-K419 WeakPolarHBondContact O-CA 3.25Å
420	V	98.8	Very high	98.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.5	178.2	66.7	0	0	0	0	110	W411 A412 N414 G425 Y426 H537	W411-V420 VanDerWaalsContact CE3-C 3.45Å; A412-V420 PolarHBondContact N-O 2.89Å; A412-V420 PolarHBondContact O-N 3.01Å; N414-V420 HydrophobicContact CB-CG1 4.48Å; V420-G425 WeakPolarHBondContact CA-O 3.44Å; V420-Y426 HydrophobicContact CB-CE1 4.36Å; V420-Y426 HydrophobicContact CG2-CE1 4.45Å; V420-Y426 HydrophobicContact CG2-CE2 4.36Å; V420-H537 HydrophobicContact CG1-CB 3.98Å; V420-H537 HydrophobicContact CG2-CB 4.24Å; V420-H537 VanDerWaalsContact CG2-CD2 3.42Å; V420-H537 WeakPolarHBondContact CG2-CD2 3.44Å
421	S	98.9	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-134.9	144	178.1	161.6	0	0	0	0	108.8	D410 S423 Y424 G425	D410-S421 WeakPolarHBondContact OD1-CB 3.46Å; D410-S421 PolarHBondContact OD1-OG 3.33Å; D410-S421 PolarHBondContact OD2-OG 2.95Å; S421-S423 PolarHBondContact O-N 2.82Å; S421-S423 PolarHBondContact OG-N 2.81Å; S421-S423 VanDerWaalsContact OG-N 3.13Å; S421-Y424 PolarHBondContact O-N 2.85Å; S421-Y424 PolarHBondContact OG-N 3.43Å; S421-G425 PolarHBondContact N-O 3.1Å; S421-G425 WeakPolarHBondContact O-CA 3.11Å; S421-G425 PolarHBondContact O-N 3.26Å
422	H	98.8	Very high	98.5	Very high	21 Å²	21	25 Å²	25	10%	0.097	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-20.9	176.1	-55.6	80.6	0	0	0	112	A332 C333 D410 T514 H537	A332-H422 VanDerWaalsContact CA-O 3.32Å; A332-H422 WeakPolarHBondContact CA-O 3.41Å; A332-H422 HydrophobicContact CB-CB 4.1Å; C333-H422 PolarHBondContact N-O 2.8Å; C333-H422 WeakPolarHBondContact O-CA 3.24Å; C333-H422 VanDerWaalsContact O-O 3.08Å; D410-H422 WeakPolarHBondContact OD2-CB 3.47Å; D410-H422 IonicContact OD2-CG 3.13Å; D410-H422 PolarHBondContact OD2-N 2.85Å; D410-H422 IonicContact OD2-ND1 2.94Å; D410-H422 PolarHBondContact OD2-ND1 3.35Å; H422-T514 PolarHBondContact NE2-N 3.37Å; H422-H537 AromaticContact CD2-CE1 3.27Å; H422-H537 PolarHBondContact CD2-CE1 3.05Å; H422-H537 AromaticContact CD2-ND1 3.97Å; H422-H537 AromaticContact CD2-NE2 3.99Å; H422-H537 AromaticContact CE1-CE1 3.57Å; H422-H537 AromaticContact CE1-ND1 3.83Å; H422-H537 AromaticContact CG-CE1 3.53Å; H422-H537 AromaticContact ND1-CE1 3.71Å; H422-H537 AromaticContact NE2-CE1 3.29Å; H422-H537 PolarHBondContact NE2-CE1 2.86Å; H422-H537 VanDerWaalsContact NE2-CE1 3.29Å; H422-H537 AromaticContact NE2-ND1 3.53Å
423	S	98.6	Very high	98.5	Very high	17 Å²	17	23.9 Å²	23.9	12%	0.119	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-27.7	174.6	-58	0	0	0	0	112.7	S318 S421	S318-S423 VanDerWaalsContact CB-O 3.3Å; S318-S423 WeakPolarHBondContact CB-O 3.49Å; S421-S423 PolarHBondContact O-N 2.82Å; S421-S423 PolarHBondContact OG-N 2.81Å; S421-S423 VanDerWaalsContact OG-N 3.13Å
424	Y	98.8	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-2.9	-170.1	-61.1	-49.3	0	0	0	116.1	A320 G324 N325 V326 A338 T339 L406 N407 A408 W411 S421 Y426 G427	A320-Y424 HydrophobicContact CB-CE1 4.07Å; G324-Y424 PolarHBondContact O-OH 2.93Å; N325-Y424 WeakPolarHBondContact CA-OH 3.46Å; N325-Y424 PolarHBondContact O-OH 2.9Å; V326-Y424 HydrophobicContact CG2-CE1 4.05Å; V326-Y424 HydrophobicContact CG2-CE2 4.01Å; V326-Y424 VanDerWaalsContact CG2-OH 3.31Å; V326-Y424 WeakPolarHBondContact CG2-OH 3.24Å; V326-Y424 PolarHBondContact N-OH 3.09Å; A338-Y424 CarbonylContact C-O 3.56Å; A338-Y424 WeakPolarHBondContact CA-O 3.37Å; T339-Y424 HydrophobicContact CG2-CD1 3.85Å; T339-Y424 HydrophobicContact CG2-CE1 4.37Å; T339-Y424 VanDerWaalsContact OG1-C 3.31Å; T339-Y424 WeakPolarHBondContact OG1-CA 3.37Å; T339-Y424 WeakPolarHBondContact OG1-CB 3.09Å; T339-Y424 WeakPolarHBondContact OG1-CD1 2.98Å; T339-Y424 PolarHBondContact OG1-O 3.25Å; L406-Y424 HydrophobicContact CB-CD2 3.93Å; L406-Y424 HydrophobicContact CB-CE2 3.7Å; L406-Y424 HydrophobicContact CD1-CD1 4.2Å; L406-Y424 HydrophobicContact CD1-CD2 4.15Å; L406-Y424 HydrophobicContact CD1-CG 3.96Å; N407-Y424 WeakPolarHBondContact O-CE2 3.22Å; N407-Y424 PolarHBondContact O-OH 3.47Å; A408-Y424 HydrophobicContact CB-CD2 3.82Å; A408-Y424 HydrophobicContact CB-CE2 3.58Å; W411-Y424 HydrophobicContact CH2-CD2 4.3Å; W411-Y424 AromaticContact CZ2-CD2 3.58Å; W411-Y424 HydrophobicContact CZ2-CD2 3.58Å; W411-Y424 HydrophobicContact CZ2-CE2 4.43Å; W411-Y424 HydrophobicContact CZ2-CG 4.29Å; S421-Y424 PolarHBondContact O-N 2.85Å; S421-Y424 PolarHBondContact OG-N 3.43Å; Y424-Y426 PolarHBondContact O-N 3.48Å; Y424-G427 PolarHBondContact O-N 2.6Å
425	G	98.8	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	53.7	-130.1	-164.6	0	0	0	0	0	110.8	T336 V420 S421 G427	T336-G425 WeakPolarHBondContact O-CA 3.38Å; V420-G425 WeakPolarHBondContact CA-O 3.44Å; S421-G425 PolarHBondContact N-O 3.1Å; S421-G425 WeakPolarHBondContact O-CA 3.11Å; S421-G425 PolarHBondContact O-N 3.26Å; G425-G427 PolarHBondContact O-N 3.41Å
426	Y	98.9	Very high	98.5	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.016	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	0.2	177.1	-71.2	-85.8	0	0	0	114.1	L337 V398 S401 R418 V420 Y424 T536 H537 W539	L337-Y426 WeakPolarHBondContact O-CD2 3.26Å; L337-Y426 PolarHBondContact O-N 3.13Å; V398-Y426 HydrophobicContact CB-CD2 4.26Å; V398-Y426 HydrophobicContact CB-CE2 4.34Å; V398-Y426 HydrophobicContact CB-CG 4.47Å; V398-Y426 HydrophobicContact CG1-CD1 4Å; V398-Y426 HydrophobicContact CG1-CD2 4.16Å; V398-Y426 HydrophobicContact CG1-CE1 3.75Å; V398-Y426 HydrophobicContact CG1-CE2 3.94Å; V398-Y426 HydrophobicContact CG1-CG 4.19Å; V398-Y426 HydrophobicContact CG2-CD2 3.81Å; V398-Y426 HydrophobicContact CG2-CE2 3.72Å; V398-Y426 HydrophobicContact CG2-CG 4.48Å; S401-Y426 WeakPolarHBondContact CB-O 3.49Å; R418-Y426 HydrophobicContact CB-CD1 4.2Å; R418-Y426 HydrophobicContact CB-CE1 3.98Å; V420-Y426 HydrophobicContact CB-CE1 4.36Å; V420-Y426 HydrophobicContact CG2-CE1 4.45Å; V420-Y426 HydrophobicContact CG2-CE2 4.36Å; Y424-Y426 PolarHBondContact O-N 3.48Å; Y426-T536 PolarHBondContact OH-O 3.14Å; Y426-H537 PolarHBondContact OH-O 3.43Å; Y426-W539 WeakPolarHBondContact OH-CB 3.29Å
427	G	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.			trans	110.4	-161.3	176.7	0	0	0	0	0	113.9	T339 Y424 G425	T339-G427 PolarHBondContact N-O 3.49Å; Y424-G427 PolarHBondContact O-N 2.6Å; G425-G427 PolarHBondContact O-N 3.41Å
428	L	98.7	Very high	98.6	Very high	11 Å²	11	17.4 Å²	17.4	6%	0.058	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-73.3	135.1	-173.9	-161.4	76.1	0	0	0	111.5	L132 T339 Y341 S401 K402 L406	L132-L428 HydrophobicContact CD2-CD1 4.04Å; L132-L428 HydrophobicContact CD2-CD2 4.25Å; L132-L428 HydrophobicContact CD2-CG 3.94Å; T339-L428 HydrophobicContact CG2-CD1 4.18Å; T339-L428 CarbonylContact O-C 3.54Å; T339-L428 WeakPolarHBondContact O-CA 3.49Å; Y341-L428 HydrophobicContact CD1-CD1 4.35Å; Y341-L428 HydrophobicContact CD2-CD1 4.27Å; Y341-L428 HydrophobicContact CD2-CD2 4.27Å; Y341-L428 HydrophobicContact CE1-CD1 4.2Å; Y341-L428 HydrophobicContact CE1-CD2 4.41Å; Y341-L428 HydrophobicContact CE2-CD1 4.11Å; Y341-L428 HydrophobicContact CE2-CD2 3.45Å; Y341-L428 VanDerWaalsContact CE2-CD2 3.45Å; Y341-L428 HydrophobicContact CE2-CG 4.38Å; Y341-L428 HydrophobicContact CG-CD1 4.38Å; Y341-L428 WeakPolarHBondContact OH-CD2 3.49Å; S401-L428 CarbonylContact C-O 3.52Å; S401-L428 VanDerWaalsContact CA-O 3.29Å; S401-L428 WeakPolarHBondContact CA-O 3.14Å; K402-L428 PolarHBondContact N-O 2.89Å; K402-L428 PolarHBondContact O-N 3.11Å; L406-L428 HydrophobicContact CD1-CB 4.01Å
429	L	98.8	Very high	98.5	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.103	C	C	.	.			trans	-61.6	139.7	171.6	-66.5	-175.1	0	0	0	111.5	I317 A338 T339 T340 A374 I377 V397 M434	I317-L429 HydrophobicContact CD1-CD1 4.21Å; A338-L429 HydrophobicContact CB-CD2 3.62Å; A338-L429 HydrophobicContact CB-CG 4.17Å; T339-L429 PolarHBondContact O-N 3.03Å; T340-L429 HydrophobicContact CG2-CB 4.16Å; T340-L429 HydrophobicContact CG2-CD1 3.68Å; T340-L429 HydrophobicContact CG2-CG 4.01Å; A374-L429 HydrophobicContact CB-CD1 3.48Å; A374-L429 VanDerWaalsContact CB-CD1 3.48Å; I377-L429 HydrophobicContact CD1-CB 3.76Å; I377-L429 HydrophobicContact CD1-CD1 4.13Å; V397-L429 HydrophobicContact CB-CD2 4.35Å; V397-L429 HydrophobicContact CG1-CD2 3.73Å; V397-L429 HydrophobicContact CG2-CD2 3.91Å; L429-M434 HydrophobicContact CD2-SD 4.07Å
430	D	98.6	Very high	98.4	Very high	24 Å²	24	21.1 Å²	21.1	13%	0.128	12%	0.121	C	C	.	.			trans	-125.7	100.4	179.3	-179.9	-23.9	0	0	0	108.8	N133 K402 G432 A433 M434	N133-D430 WeakPolarHBondContact CB-OD1 3.38Å; N133-D430 PolarHBondContact ND2-OD1 2.97Å; K402-D430 WeakPolarHBondContact CE-OD2 3.5Å; K402-D430 HydrophobicContact CG-CB 4.04Å; D430-G432 VanDerWaalsContact C-N 3.34Å; D430-G432 PolarHBondContact O-N 3.38Å; D430-G432 PolarHBondContact OD1-N 3.4Å; D430-A433 HydrophobicContact CB-CB 3.93Å; D430-A433 VanDerWaalsContact CG-CB 3.46Å; D430-A433 PolarHBondContact O-N 3.37Å; D430-A433 PolarHBondContact OD1-N 3.14Å; D430-M434 WeakPolarHBondContact O-CG 3.45Å; D430-M434 PolarHBondContact O-N 3.26Å
431	A	98.6	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-40.4	-173.4	0	0	0	0	0	112.8	L132 V134 A137 I377 L380 M434 V435	L132-A431 WeakPolarHBondContact O-CB 3.42Å; L132-A431 PolarHBondContact O-N 3.42Å; V134-A431 HydrophobicContact CB-CB 4.42Å; V134-A431 HydrophobicContact CG2-CB 3.94Å; A137-A431 HydrophobicContact CB-CB 4.19Å; I377-A431 HydrophobicContact CB-CB 4.5Å; I377-A431 HydrophobicContact CD1-CB 4.39Å; I377-A431 HydrophobicContact CG1-CB 4.08Å; I377-A431 HydrophobicContact CG2-CB 3.81Å; L380-A431 HydrophobicContact CD1-CB 4.44Å; A431-M434 PolarHBondContact O-N 3.36Å; A431-V435 WeakPolarHBondContact O-CB 3.33Å; A431-V435 WeakPolarHBondContact O-CG2 3.37Å; A431-V435 PolarHBondContact O-N 3.18Å
432	G	97.3	Very high	98.3	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-44.3	176.5	0	0	0	0	0	112.1	N133 D430 A436	N133-G432 PolarHBondContact O-N 2.97Å; D430-G432 VanDerWaalsContact C-N 3.34Å; D430-G432 PolarHBondContact O-N 3.38Å; D430-G432 PolarHBondContact OD1-N 3.4Å; G432-A436 VanDerWaalsContact O-CB 3.25Å; G432-A436 WeakPolarHBondContact O-CB 3.35Å; G432-A436 PolarHBondContact O-N 2.9Å
433	A	98.4	Very high	98.2	Very high	23 Å²	23	31 Å²	31	19%	0.19	18%	0.179	C	C	.	.	H	α-helix	trans	-68.2	-41.3	177.5	0	0	0	0	0	112.7	T400 D430 A436 L437	T400-A433 HydrophobicContact CG2-CB 4.27Å; D430-A433 HydrophobicContact CB-CB 3.93Å; D430-A433 VanDerWaalsContact CG-CB 3.46Å; D430-A433 PolarHBondContact O-N 3.37Å; D430-A433 PolarHBondContact OD1-N 3.14Å; A433-A436 PolarHBondContact O-N 3.01Å; A433-L437 WeakPolarHBondContact O-CB 3.45Å; A433-L437 PolarHBondContact O-N 3.3Å
434	M	98.8	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-50.2	177.6	-75.6	-174.4	72.2	0	0	111.8	I377 I378 T381 M393 V397 T400 L429 D430 A431 A436 L437 A438	I377-M434 HydrophobicContact CG2-CE 4.43Å; I377-M434 HydrophobicContact CG2-SD 3.54Å; I377-M434 VanDerWaalsContact CG2-SD 3.54Å; I378-M434 HydrophobicContact CG1-CE 4.45Å; T381-M434 HydrophobicContact CG2-CB 4.26Å; T381-M434 HydrophobicContact CG2-CE 4.28Å; T381-M434 WeakPolarHBondContact OG1-CB 3.39Å; M393-M434 HydrophobicContact SD-CE 3.86Å; V397-M434 HydrophobicContact CG2-CE 3.6Å; V397-M434 HydrophobicContact CG2-SD 4.26Å; T400-M434 WeakPolarHBondContact OG1-CG 3.47Å; L429-M434 HydrophobicContact CD2-SD 4.07Å; D430-M434 WeakPolarHBondContact O-CG 3.45Å; D430-M434 PolarHBondContact O-N 3.26Å; A431-M434 PolarHBondContact O-N 3.36Å; M434-A436 VanDerWaalsContact C-N 3.35Å; M434-A436 PolarHBondContact O-N 3.05Å; M434-L437 PolarHBondContact O-N 2.92Å; M434-A438 VanDerWaalsContact O-CB 3.26Å; M434-A438 WeakPolarHBondContact O-CB 3.34Å; M434-A438 PolarHBondContact O-N 2.87Å
435	V	98.6	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-39.3	178.2	163.6	0	0	0	0	111.9	A137 Y142 L380 A384 A431 Q439	A137-V435 HydrophobicContact CB-CB 4.44Å; A137-V435 HydrophobicContact CB-CG2 4Å; Y142-V435 HydrophobicContact CD2-CG1 3.16Å; Y142-V435 HydrophobicContact CE2-CG1 3.35Å; Y142-V435 HydrophobicContact CG-CG1 3.85Å; L380-V435 HydrophobicContact CB-CG2 4.01Å; A384-V435 HydrophobicContact CB-CB 4.47Å; A384-V435 HydrophobicContact CB-CG1 3.95Å; A384-V435 HydrophobicContact CB-CG2 4.48Å; A431-V435 WeakPolarHBondContact O-CB 3.33Å; A431-V435 WeakPolarHBondContact O-CG2 3.37Å; A431-V435 PolarHBondContact O-N 3.18Å; V435-Q439 WeakPolarHBondContact O-CG 2.95Å; V435-Q439 PolarHBondContact O-N 2.89Å; V435-Q439 PolarHBondContact O-NE2 3.38Å
436	A	98.1	Very high	97.5	Very high	47 Å²	47	37.9 Å²	37.9	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-44.3	177.2	0	0	0	0	0	112.1	G432 A433 M434	G432-A436 VanDerWaalsContact O-CB 3.25Å; G432-A436 WeakPolarHBondContact O-CB 3.35Å; G432-A436 PolarHBondContact O-N 2.9Å; A433-A436 PolarHBondContact O-N 3.01Å; M434-A436 VanDerWaalsContact C-N 3.35Å; M434-A436 PolarHBondContact O-N 3.05Å
437	L	98.5	Very high	97.5	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	24%	0.243	S	C	.	.	H	α-helix	trans	-71.3	-36.5	179.8	-174	59.7	0	0	0	112	L396 Q399 T400 A433 M434 Q439 N440 W441	L396-L437 HydrophobicContact CD2-CB 3.97Å; L396-L437 HydrophobicContact CD2-CD2 3.58Å; L396-L437 HydrophobicContact CD2-CG 3.53Å; Q399-L437 HydrophobicContact CB-CD2 4.01Å; T400-L437 HydrophobicContact CG2-CB 4.03Å; T400-L437 HydrophobicContact CG2-CD2 3.52Å; T400-L437 HydrophobicContact CG2-CG 4.43Å; A433-L437 WeakPolarHBondContact O-CB 3.45Å; A433-L437 PolarHBondContact O-N 3.3Å; M434-L437 PolarHBondContact O-N 2.92Å; L437-Q439 VanDerWaalsContact C-N 3.29Å; L437-Q439 PolarHBondContact O-N 2.92Å; L437-N440 PolarHBondContact O-N 3.43Å; L437-W441 HydrophobicContact CD1-CE3 4.42Å; L437-W441 HydrophobicContact CD2-CE3 4.29Å; L437-W441 HydrophobicContact CD2-CZ3 4.17Å; L437-W441 HydrophobicContact CG-CE3 4.07Å; L437-W441 HydrophobicContact CG-CZ3 4.42Å; L437-W441 PolarHBondContact O-N 3.38Å
438	A	98.6	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-35.7	179.8	0	0	0	0	0	113.9	T381 A384 N385 L388 L396 M434 N440 W441	T381-A438 HydrophobicContact CG2-CB 3.72Å; A384-A438 HydrophobicContact CB-CB 4.31Å; N385-A438 HydrophobicContact CB-CB 4.28Å; N385-A438 WeakPolarHBondContact CB-O 3.46Å; N385-A438 PolarHBondContact ND2-O 3.49Å; L388-A438 HydrophobicContact CD1-CB 4.02Å; L396-A438 HydrophobicContact CD1-CB 3.97Å; M434-A438 VanDerWaalsContact O-CB 3.26Å; M434-A438 WeakPolarHBondContact O-CB 3.34Å; M434-A438 PolarHBondContact O-N 2.87Å; A438-N440 PolarHBondContact O-N 3.41Å; A438-W441 WeakPolarHBondContact O-CB 3.19Å; A438-W441 PolarHBondContact O-N 3.05Å
439	Q	96.9	Very high	97.4	Very high	84 Å²	84	47.4 Å²	47.4	39%	0.393	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.9	-177.6	-75.3	169.8	80.7	0	0	113.2	Y142 A384 V435 L437	Y142-Q439 VanDerWaalsContact OH-CD 3.29Å; Y142-Q439 PolarHBondContact OH-OE1 3.19Å; A384-Q439 HydrophobicContact CB-CG 4.32Å; V435-Q439 WeakPolarHBondContact O-CG 2.95Å; V435-Q439 PolarHBondContact O-N 2.89Å; V435-Q439 PolarHBondContact O-NE2 3.38Å; L437-Q439 VanDerWaalsContact C-N 3.29Å; L437-Q439 PolarHBondContact O-N 2.92Å
440	N	95.6	Very high	97.4	Very high	148 Å²	148	47.3 Å²	47.3	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	17.1	-179.5	-67.6	-24.8	0	0	0	112.4	L437 A438	L437-N440 PolarHBondContact O-N 3.43Å; A438-N440 PolarHBondContact O-N 3.41Å
441	W	97.9	Very high	97.4	Very high	37 Å²	37	50.8 Å²	50.8	14%	0.14	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72	133.7	-178.8	-173.8	-99.5	0	0	0	111.3	L388 D392 H395 L396 Q399 L437 A438 V444	L388-W441 HydrophobicContact CD2-CB 4.05Å; L388-W441 VanDerWaalsContact CD2-CD1 3.43Å; L388-W441 HydrophobicContact CD2-CG 3.9Å; D392-W441 VanDerWaalsContact CG-NE1 3.31Å; D392-W441 PolarHBondContact OD1-NE1 2.72Å; H395-W441 HydrophobicContact CB-CH2 3.68Å; H395-W441 HydrophobicContact CB-CZ2 3.51Å; L396-W441 HydrophobicContact CD2-CB 4.44Å; L396-W441 HydrophobicContact CD2-CD2 3.74Å; L396-W441 HydrophobicContact CD2-CE3 3.45Å; L396-W441 VanDerWaalsContact CD2-CE3 3.45Å; L396-W441 HydrophobicContact CD2-CG 4.18Å; L396-W441 HydrophobicContact CD2-CZ3 3.95Å; L396-W441 HydrophobicContact CG-CD2 4.28Å; L396-W441 HydrophobicContact CG-CE3 4.37Å; Q399-W441 VanDerWaalsContact NE2-CH2 3.34Å; L437-W441 HydrophobicContact CD1-CE3 4.42Å; L437-W441 HydrophobicContact CD2-CE3 4.29Å; L437-W441 HydrophobicContact CD2-CZ3 4.17Å; L437-W441 HydrophobicContact CG-CE3 4.07Å; L437-W441 HydrophobicContact CG-CZ3 4.42Å; L437-W441 PolarHBondContact O-N 3.38Å; A438-W441 WeakPolarHBondContact O-CB 3.19Å; A438-W441 PolarHBondContact O-N 3.05Å; W441-V444 HydrophobicContact CZ2-CG1 3.94Å
442	T	97.3	Very high	97.4	Very high	120 Å²	120	52.1 Å²	52.1	74%	0.736	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-98.8	122.4	171	-57.6	0	0	0	0	108.4	V444	T442-V444 PolarHBondContact O-N 2.72Å
443	T	97.1	Very high	97.4	Very high	72 Å²	72	57.2 Å²	57.2	44%	0.442	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-52.5	132	179.2	-64.3	0	0	0	0	111.3	T389 D392	T389-T443 HydrophobicContact CG2-CG2 3.97Å; D392-T443 WeakPolarHBondContact OD1-CA 3.37Å; D392-T443 WeakPolarHBondContact OD2-CG2 3.48Å
444	V	96.1	Very high	97.3	Very high	30 Å²	30	56.5 Å²	56.5	18%	0.182	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.2	153	179.5	-62.5	0	0	0	0	111.7	R391 D392 W441 T442	R391-V444 HydrophobicContact CB-CG2 4.19Å; D392-V444 WeakPolarHBondContact OD1-CG2 3.08Å; D392-V444 PolarHBondContact OD1-N 3.25Å; W441-V444 HydrophobicContact CZ2-CG1 3.94Å; T442-V444 PolarHBondContact O-N 2.72Å
445	G	92.3	Very high	97.2	Very high	34 Å²	34	58 Å²	58	35%	0.351	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.8	168.7	176.2	0	0	0	0	0	113.2	R391 Q447	R391-G445 PolarHBondContact NH1-O 3.12Å; R391-G445 PolarHBondContact NH2-O 3.42Å; G445-Q447 PolarHBondContact O-N 2.9Å
446	P	94.4	Very high	97	Very high	98 Å²	98	64.5 Å²	64.5	64%	0.636	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-54.2	139.5	178.7	-24.8	34.1	0	0	0	112	R448	P446-R448 PolarHBondContact O-N 3.26Å
447	Q	97.3	Very high	96.9	Very high	66 Å²	66	67.3 Å²	67.3	31%	0.308	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-67	127.3	178.4	-166.7	-177.5	46.6	0	0	109.8	G445 Y571	G445-Q447 PolarHBondContact O-N 2.9Å; Q447-Y571 HydrophobicContact CG-CD1 4.47Å
448	R	97.6	Very high	96.9	Very high	67 Å²	67	68.6 Å²	68.6	25%	0.253	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	151.5	171.7	-62.2	178.9	-176.1	-160.2	-1.8	109.5	P446 P478 H480 I481 Y571 G572	P446-R448 PolarHBondContact O-N 3.26Å; R448-P478 WeakPolarHBondContact CD-O 3.48Å; R448-P478 PolarHBondContact NE-O 3.17Å; R448-P478 PolarHBondContact NH1-O 3.13Å; R448-H480 WeakPolarHBondContact CD-O 3.07Å; R448-H480 PolarHBondContact NH1-O 3.11Å; R448-I481 HydrophobicContact CB-CD1 4.27Å; R448-I481 HydrophobicContact CB-CG1 3.85Å; R448-Y571 WeakPolarHBondContact O-CA 3.48Å; R448-G572 PolarHBondContact N-O 3.43Å; R448-G572 PolarHBondContact O-N 3.46Å; R448-G572 VanDerWaalsContact O-N 3.13Å
449	K	98.3	Very high	96.8	Very high	83 Å²	83	72 Å²	72	36%	0.361	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.4	177.8	-177.3	-178.8	-176.9	168.3	0	109.8	I451 N479 V569 L570 Y571	K449-I451 HydrophobicContact CD-CD1 4.37Å; K449-I451 HydrophobicContact CD-CG1 4.45Å; K449-I451 HydrophobicContact CG-CG1 4.17Å; K449-N479 WeakPolarHBondContact O-CB 3.4Å; K449-N479 PolarHBondContact O-ND2 3.43Å; K449-V569 HydrophobicContact CD-CG1 4.42Å; K449-V569 HydrophobicContact CG-CG1 3.98Å; K449-L570 WeakPolarHBondContact CA-O 3.48Å; K449-Y571 HydrophobicContact CB-CD1 4.21Å; K449-Y571 HydrophobicContact CB-CE1 4.13Å; K449-Y571 HydrophobicContact CD-CE1 3.68Å; K449-Y571 VanDerWaalsContact CE-OH 3.24Å; K449-Y571 WeakPolarHBondContact CE-OH 3.4Å; K449-Y571 HydrophobicContact CG-CD1 4.15Å; K449-Y571 HydrophobicContact CG-CE1 3.69Å; K449-Y571 PolarHBondContact NZ-OH 3.21Å
450	C	98.4	Very high	96.9	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.3	174.4	-179.9	0	0	0	0	109.2	C474 I481 V569 L570	C450-C474 VanDerWaalsContact CA-SG 3.56Å; C450-C474 HydrophobicContact CB-CB 3.86Å; C450-C474 WeakPolarHBondContact CB-SG 3.31Å; C450-C474 WeakPolarHBondContact SG-CB 3.42Å; C450-C474 PolarHBondContact SG-N 3.08Å; C450-C474 CovalentContact SG-SG 2.04Å; C450-C474 PolarHBondContact SG-SG 2.87Å; C450-I481 HydrophobicContact CB-CD1 3.95Å; C450-V569 WeakPolarHBondContact O-CA 3.07Å; C450-L570 HydrophobicContact CB-CB 4.3Å; C450-L570 PolarHBondContact N-O 3.3Å; C450-L570 PolarHBondContact O-N 2.61Å
451	I	98.6	Very high	97	Very high	97 Å²	97	66.3 Å²	66.3	50%	0.497	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.9	-176.9	-56.5	174.3	0	0	0	108	K449 T567 V569	K449-I451 HydrophobicContact CD-CD1 4.37Å; K449-I451 HydrophobicContact CD-CG1 4.45Å; K449-I451 HydrophobicContact CG-CG1 4.17Å; I451-T567 HydrophobicContact CG2-CG2 3.55Å; I451-V569 HydrophobicContact CG1-CG1 4.32Å
452	I	98.1	Very high	96.8	Very high	28 Å²	28	65.5 Å²	65.5	14%	0.144	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	112.1	-172.6	-46.8	175	0	0	0	109.2	I454 V471 T567 L568 L570	I452-I454 HydrophobicContact CB-CD1 4.36Å; I452-I454 HydrophobicContact CG2-CD1 3.83Å; I452-V471 HydrophobicContact CD1-CB 3.8Å; I452-V471 HydrophobicContact CD1-CG1 3.88Å; I452-V471 HydrophobicContact CD1-CG2 4.16Å; I452-V471 HydrophobicContact CG2-CG1 4.02Å; I452-T567 CarbonylContact O-C 3.45Å; I452-T567 WeakPolarHBondContact O-CA 3.46Å; I452-L568 HydrophobicContact CB-CB 4.4Å; I452-L568 PolarHBondContact N-O 2.87Å; I452-L568 PolarHBondContact O-N 3.06Å; I452-L570 HydrophobicContact CD1-CD1 3.94Å
453	D	97.6	Very high	96.6	Very high	110 Å²	110	65.1 Å²	65.1	59%	0.588	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.1	171.6	-67.5	-39.3	0	0	0	109.9	T567	D453-T567 WeakPolarHBondContact OD1-CB 3.39Å; D453-T567 WeakPolarHBondContact OD1-CG2 3.43Å; D453-T567 PolarHBondContact OD1-OG1 3.47Å
454	I	97.1	Very high	96.6	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.046	36%	0.357	C	S	.	.			trans	-91.4	-43.1	-168.7	-57	-64.5	0	0	0	111.5	I452 V467 K469 V471 F566 L568	I452-I454 HydrophobicContact CB-CD1 4.36Å; I452-I454 HydrophobicContact CG2-CD1 3.83Å; I454-V467 HydrophobicContact CG2-CG1 3.78Å; I454-K469 HydrophobicContact CD1-CB 3.99Å; I454-K469 HydrophobicContact CD1-CG 3.73Å; I454-K469 HydrophobicContact CG2-CB 3.76Å; I454-K469 HydrophobicContact CG2-CG 4.11Å; I454-V471 HydrophobicContact CD1-CG1 4.34Å; I454-F566 HydrophobicContact CB-CB 4.34Å; I454-F566 HydrophobicContact CB-CD1 3.65Å; I454-F566 HydrophobicContact CB-CE1 4.05Å; I454-F566 HydrophobicContact CB-CG 3.97Å; I454-F566 WeakPolarHBondContact CB-O 3.49Å; I454-F566 HydrophobicContact CG1-CD1 3.8Å; I454-F566 HydrophobicContact CG1-CD2 4.18Å; I454-F566 HydrophobicContact CG1-CE1 3.78Å; I454-F566 HydrophobicContact CG1-CE2 4.13Å; I454-F566 HydrophobicContact CG1-CG 3.99Å; I454-F566 HydrophobicContact CG1-CZ 3.95Å; I454-F566 HydrophobicContact CG2-CD1 3.66Å; I454-F566 HydrophobicContact CG2-CE1 3.86Å; I454-F566 HydrophobicContact CG2-CG 4.47Å; I454-F566 PolarHBondContact N-O 3.5Å; I454-L568 HydrophobicContact CD1-CB 3.91Å; I454-L568 HydrophobicContact CD1-CD2 4.48Å; I454-L568 HydrophobicContact CG1-CB 4.03Å
455	L	96	Very high	96.7	Very high	32 Å²	32	67.3 Å²	67.3	17%	0.168	35%	0.353	C	S	.	.			trans	-84.5	135.7	-174.2	-58.8	176.7	0	0	0	111.7	K459 V467 L563 F566	L455-K459 HydrophobicContact CD2-CG 4.2Å; L455-V467 HydrophobicContact CD2-CG1 3.92Å; L455-V467 HydrophobicContact CD2-CG2 4.27Å; L455-L563 HydrophobicContact CD1-CD2 3.84Å; L455-L563 HydrophobicContact CD1-CG 3.72Å; L455-L563 HydrophobicContact CD2-CD2 4.35Å; L455-F566 HydrophobicContact CD1-CB 3.98Å; L455-F566 HydrophobicContact CG-CB 3.95Å
456	T	94.9	Very high	97	Very high	135 Å²	135	68.8 Å²	68.8	83%	0.828	35%	0.351	S	S	*	.	S	Bend	trans	-97.8	-20.1	168.2	54.3	0	0	0	0	112.4
457	E	96.1	Very high	97.2	Very high	107 Å²	107	65 Å²	65	50%	0.5	33%	0.326	S	S	.	.	S	Bend	trans	-151.6	154.1	179.8	61.6	-177.7	-177.1	0	0	109.7	K459	E457-K459 HydrophobicContact CG-CD 4.5Å; E457-K459 IonicContact OE1-NZ 2.83Å; E457-K459 PolarHBondContact OE1-NZ 2.86Å
458	P	97.8	Very high	97.3	Very high	84 Å²	84	68.1 Å²	68.1	55%	0.545	34%	0.335	S	S	.	.			trans	-59.7	146.5	173.2	-21.6	33.2	0	0	0	112	T562 L563 T564	P458-T562 HydrophobicContact CB-CG2 3.75Å; P458-L563 CarbonylContact C-O 3.6Å; P458-L563 WeakPolarHBondContact CA-O 3.24Å; P458-T564 HydrophobicContact CB-CG2 4.43Å
459	K	98.1	Very high	97.3	Very high	72 Å²	72	68.8 Å²	68.8	31%	0.313	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.4	179.8	-63.5	-62.7	-174.1	-176.4	0	110.8	L455 E457 L465 T562 L563	L455-K459 HydrophobicContact CD2-CG 4.2Å; E457-K459 HydrophobicContact CG-CD 4.5Å; E457-K459 IonicContact OE1-NZ 2.83Å; E457-K459 PolarHBondContact OE1-NZ 2.86Å; K459-L465 HydrophobicContact CB-CD1 3.85Å; K459-L465 HydrophobicContact CB-CD2 3.82Å; K459-L465 HydrophobicContact CG-CD1 4.46Å; K459-T562 WeakPolarHBondContact O-CA 3.11Å; K459-T562 WeakPolarHBondContact O-CG2 3.5Å; K459-L563 PolarHBondContact N-O 3.42Å; K459-L563 PolarHBondContact O-N 3.19Å
460	D	98	Very high	97.3	Very high	110 Å²	110	69.6 Å²	69.6	59%	0.588	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.4	171.3	-176.2	62.1	0	0	0	110	G462	D460-G462 PolarHBondContact OD2-N 3.27Å
461	I	97.9	Very high	97.3	Very high	2 Å²	2	70 Å²	70	1%	0.01	35%	0.354	C	S	.	.			trans	-82.8	-45.1	-179.4	-63.7	170.8	0	0	0	110.3	K463 R464 L465 L493 Y495 L501 I551 G561 L563	I461-K463 PolarHBondContact O-N 2.92Å; I461-R464 CarbonylContact O-C 3.54Å; I461-R464 PolarHBondContact O-N 2.98Å; I461-L465 HydrophobicContact CG1-CD2 4.07Å; I461-L493 HydrophobicContact CD1-CB 4.19Å; I461-L493 HydrophobicContact CD1-CD1 4.33Å; I461-Y495 HydrophobicContact CB-CD2 4.39Å; I461-Y495 HydrophobicContact CB-CE2 4.04Å; I461-Y495 HydrophobicContact CD1-CD2 3.91Å; I461-Y495 HydrophobicContact CD1-CE2 4.37Å; I461-Y495 HydrophobicContact CG2-CD2 4.28Å; I461-Y495 HydrophobicContact CG2-CE2 3.66Å; I461-L501 HydrophobicContact CG2-CD2 4.38Å; I461-I551 HydrophobicContact CD1-CG2 4.48Å; I461-I551 HydrophobicContact CG2-CB 4.45Å; I461-I551 HydrophobicContact CG2-CG2 3.69Å; I461-G561 PolarHBondContact N-O 3.01Å; I461-L563 HydrophobicContact CD1-CB 4.46Å; I461-L563 HydrophobicContact CG1-CB 4.3Å
462	G	92.9	Very high	97.2	Very high	20 Å²	20	69.6 Å²	69.6	21%	0.206	36%	0.356	C	S	.	.	S	Bend	trans	48.6	-130.8	-176.5	0	0	0	0	0	113.1	D460	D460-G462 PolarHBondContact OD2-N 3.27Å
463	K	94.6	Very high	97.1	Very high	111 Å²	111	68.2 Å²	68.2	48%	0.483	35%	0.349	S	S	.	.	S	Bend	trans	-80.7	-37.9	176.3	-176.7	61.8	176.6	164.4	0	112.9	I461 N553 S555	I461-K463 PolarHBondContact O-N 2.92Å; K463-N553 HydrophobicContact CD-CB 4.16Å; K463-N553 PolarHBondContact NZ-O 2.97Å; K463-N553 PolarHBondContact O-N 3.09Å; K463-S555 PolarHBondContact NZ-O 3.23Å
464	R	97.1	Very high	97	Very high	129 Å²	129	64.1 Å²	64.1	49%	0.487	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	130.7	179.7	-175.8	175.7	-178.3	-94.3	-2.1	109.1	I461 E466 E550 I551 E552	I461-R464 CarbonylContact O-C 3.54Å; I461-R464 PolarHBondContact O-N 2.98Å; R464-E466 IonicContact CZ-OE2 2.83Å; R464-E466 VanDerWaalsContact CZ-OE2 3.29Å; R464-E466 IonicContact NH1-OE2 3.94Å; R464-E466 PolarHBondContact NH1-OE2 2.8Å; R464-E466 IonicContact NH2-OE2 3.61Å; R464-E466 PolarHBondContact NH2-OE2 3.37Å; R464-E550 IonicContact NH2-OE1 3.67Å; R464-E550 PolarHBondContact NH2-OE1 2.89Å; R464-I551 CarbonylContact C-O 3.54Å; R464-I551 WeakPolarHBondContact CA-O 3.33Å; R464-E552 HydrophobicContact CG-CB 4.37Å
465	L	98.3	Very high	96.9	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.099	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.1	172.4	170	65.3	0	0	0	109.2	K459 I461 V467 I551 L563	K459-L465 HydrophobicContact CB-CD1 3.85Å; K459-L465 HydrophobicContact CB-CD2 3.82Å; K459-L465 HydrophobicContact CG-CD1 4.46Å; I461-L465 HydrophobicContact CG1-CD2 4.07Å; L465-V467 HydrophobicContact CD1-CG2 4.11Å; L465-V467 HydrophobicContact CD2-CG2 4.29Å; L465-V467 HydrophobicContact CG-CG2 4.09Å; L465-I551 HydrophobicContact CB-CB 4.44Å; L465-I551 HydrophobicContact CD2-CD1 4.45Å; L465-I551 PolarHBondContact N-O 3.25Å; L465-I551 PolarHBondContact O-N 3.36Å; L465-L563 HydrophobicContact CD2-CB 3.93Å; L465-L563 HydrophobicContact CD2-CD2 3.98Å
466	E	98.4	Very high	96.6	Very high	66 Å²	66	70.8 Å²	70.8	31%	0.308	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.3	175	-169.2	179.6	112.9	0	0	108.8	R464 R468 V548 L549	R464-E466 IonicContact CZ-OE2 2.83Å; R464-E466 VanDerWaalsContact CZ-OE2 3.29Å; R464-E466 IonicContact NH1-OE2 3.94Å; R464-E466 PolarHBondContact NH1-OE2 2.8Å; R464-E466 IonicContact NH2-OE2 3.61Å; R464-E466 PolarHBondContact NH2-OE2 3.37Å; E466-R468 IonicContact OE1-CZ 2.83Å; E466-R468 IonicContact OE1-NE 2.77Å; E466-R468 PolarHBondContact OE1-NE 2.99Å; E466-R468 IonicContact OE1-NH2 3.74Å; E466-R468 PolarHBondContact OE1-NH2 3.28Å; E466-V548 HydrophobicContact CG-CG1 3.67Å; E466-L549 CarbonylContact C-O 3.44Å; E466-L549 WeakPolarHBondContact CA-O 3.33Å
467	V	98.5	Very high	96.5	Very high	17 Å²	17	70.1 Å²	70.1	10%	0.103	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.7	178.6	-178.3	0	0	0	0	108.5	I454 L455 L465 V548 L549 L563 F566	I454-V467 HydrophobicContact CG2-CG1 3.78Å; L455-V467 HydrophobicContact CD2-CG1 3.92Å; L455-V467 HydrophobicContact CD2-CG2 4.27Å; L465-V467 HydrophobicContact CD1-CG2 4.11Å; L465-V467 HydrophobicContact CD2-CG2 4.29Å; L465-V467 HydrophobicContact CG-CG2 4.09Å; V467-V548 WeakPolarHBondContact O-CA 3.42Å; V467-L549 HydrophobicContact CB-CB 4.35Å; V467-L549 PolarHBondContact N-O 3.13Å; V467-L549 PolarHBondContact O-N 2.9Å; V467-L563 HydrophobicContact CG2-CD2 4.24Å; V467-F566 HydrophobicContact CG1-CD1 4.37Å
468	R	98.4	Very high	96.2	Very high	133 Å²	133	70.2 Å²	70.2	50%	0.502	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.4	177.6	-61.3	-175.4	176	-106.4	-6.1	110.7	E466 E546 W547 V548	E466-R468 IonicContact OE1-CZ 2.83Å; E466-R468 IonicContact OE1-NE 2.77Å; E466-R468 PolarHBondContact OE1-NE 2.99Å; E466-R468 IonicContact OE1-NH2 3.74Å; E466-R468 PolarHBondContact OE1-NH2 3.28Å; R468-E546 HydrophobicContact CB-CG 4.43Å; R468-E546 IonicContact CZ-OE2 2.66Å; R468-E546 IonicContact NH1-OE2 3.75Å; R468-E546 PolarHBondContact NH1-OE2 3.15Å; R468-W547 WeakPolarHBondContact CA-O 3.17Å; R468-V548 HydrophobicContact CG-CG1 4.1Å; R468-V548 HydrophobicContact CG-CG2 4.08Å
469	K	98.1	Very high	96	Very high	80 Å²	80	68.5 Å²	68.5	35%	0.348	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	123	174.5	-172.7	72.2	172.7	-165.1	0	111.3	I454 V471 W547	I454-K469 HydrophobicContact CD1-CB 3.99Å; I454-K469 HydrophobicContact CD1-CG 3.73Å; I454-K469 HydrophobicContact CG2-CB 3.76Å; I454-K469 HydrophobicContact CG2-CG 4.11Å; K469-V471 HydrophobicContact CG-CG1 3.94Å; K469-W547 PolarHBondContact N-O 3.18Å; K469-W547 PolarHBondContact O-N 2.91Å
470	T	98.3	Very high	96	Very high	100 Å²	100	66.2 Å²	66.2	61%	0.613	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	127.7	165.2	-47.7	0	0	0	0	109.8	G545	T470-G545 CarbonylContact C-O 3.44Å; T470-G545 WeakPolarHBondContact CA-O 3.39Å
471	V	97.7	Very high	96	Very high	8 Å²	8	61 Å²	61	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	150.8	179.3	-54.9	0	0	0	0	110.8	I452 I454 K469 P543 G545 W547 L568	I452-V471 HydrophobicContact CD1-CB 3.8Å; I452-V471 HydrophobicContact CD1-CG1 3.88Å; I452-V471 HydrophobicContact CD1-CG2 4.16Å; I452-V471 HydrophobicContact CG2-CG1 4.02Å; I454-V471 HydrophobicContact CD1-CG1 4.34Å; K469-V471 HydrophobicContact CG-CG1 3.94Å; V471-P543 WeakPolarHBondContact CG2-O 3.28Å; V471-G545 PolarHBondContact N-O 3.07Å; V471-G545 PolarHBondContact O-N 3.12Å; V471-W547 VanDerWaalsContact CG2-CD1 3.5Å; V471-L568 HydrophobicContact CG1-CD2 4.49Å
472	T	96.8	Very high	95.9	Very high	89 Å²	89	62.8 Å²	62.8	55%	0.546	34%	0.338	S	S	.	.			trans	-96.6	4.8	175.4	58.9	0	0	0	0	112.8	C474 L475	T472-C474 PolarHBondContact O-N 3.3Å; T472-L475 VanDerWaalsContact O-CB 3.31Å; T472-L475 WeakPolarHBondContact O-CB 3.4Å; T472-L475 PolarHBondContact O-N 2.71Å
473	A	96.6	Very high	96.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.5	-176.7	0	0	0	0	0	114.3	L475 H480 I481 P543 L570	A473-L475 VanDerWaalsContact C-N 3.35Å; A473-H480 WeakPolarHBondContact O-CA 3.49Å; A473-H480 PolarHBondContact O-CD2 3.47Å; A473-I481 WeakPolarHBondContact CB-O 3.4Å; A473-I481 PolarHBondContact O-N 3.23Å; A473-I481 VanDerWaalsContact O-N 3.16Å; A473-P543 HydrophobicContact CB-CB 4.49Å; A473-P543 HydrophobicContact CB-CG 3.83Å; A473-L570 HydrophobicContact CB-CD1 4.21Å
474	C	95.9	Very high	96.3	Very high	24 Å²	24	61.3 Å²	61.3	16%	0.162	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	32.3	-176.5	-62.2	0	0	0	0	114.2	C450 T472 G476 E477 N479 H480	C450-C474 VanDerWaalsContact CA-SG 3.56Å; C450-C474 HydrophobicContact CB-CB 3.86Å; C450-C474 WeakPolarHBondContact CB-SG 3.31Å; C450-C474 WeakPolarHBondContact SG-CB 3.42Å; C450-C474 PolarHBondContact SG-N 3.08Å; C450-C474 CovalentContact SG-SG 2.04Å; C450-C474 PolarHBondContact SG-SG 2.87Å; T472-C474 PolarHBondContact O-N 3.3Å; C474-G476 PolarHBondContact O-N 2.98Å; C474-E477 HydrophobicContact CB-CB 4.33Å; C474-E477 WeakPolarHBondContact O-CB 3.39Å; C474-E477 PolarHBondContact O-N 2.9Å; C474-N479 WeakPolarHBondContact CB-OD1 3.31Å; C474-N479 PolarHBondContact SG-ND2 3.21Å; C474-H480 WeakPolarHBondContact O-CA 3.42Å; C474-H480 VanDerWaalsContact O-CB 3.32Å; C474-H480 WeakPolarHBondContact O-CB 3.44Å
475	L	94.8	Very high	96.4	Very high	107 Å²	107	55.2 Å²	55.2	56%	0.56	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	129.7	173.1	-176.7	67.2	0	0	0	111.8	T472 A473	T472-L475 VanDerWaalsContact O-CB 3.31Å; T472-L475 WeakPolarHBondContact O-CB 3.4Å; T472-L475 PolarHBondContact O-N 2.71Å; A473-L475 VanDerWaalsContact C-N 3.35Å
476	G	90.1	Very high	96.4	Very high	73 Å²	73	54.4 Å²	54.4	75%	0.753	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-13.4	-178.2	0	0	0	0	0	114.5	C474	C474-G476 PolarHBondContact O-N 2.98Å
477	E	91.9	Very high	96.4	Very high	122 Å²	122	51.3 Å²	51.3	57%	0.57	28%	0.282	S	S	*	.	S	Bend	trans	-104.4	159.3	-178.1	-61.8	-63	152.9	0	0	112.3	C474 N479 H480	C474-E477 HydrophobicContact CB-CB 4.33Å; C474-E477 WeakPolarHBondContact O-CB 3.39Å; C474-E477 PolarHBondContact O-N 2.9Å; E477-N479 WeakPolarHBondContact CB-OD1 3.31Å; E477-N479 PolarHBondContact O-N 3.37Å; E477-N479 VanDerWaalsContact O-N 3.1Å; E477-H480 VanDerWaalsContact O-CB 3.26Å; E477-H480 WeakPolarHBondContact O-CB 3.2Å; E477-H480 PolarHBondContact O-N 2.58Å
478	P	90.4	Very high	96.5	Very high	109 Å²	109	51.1 Å²	51.1	71%	0.708	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.8	177.2	-24.8	34.7	0	0	0	114.1	R448	R448-P478 WeakPolarHBondContact CD-O 3.48Å; R448-P478 PolarHBondContact NE-O 3.17Å; R448-P478 PolarHBondContact NH1-O 3.13Å
479	N	94	Very high	96.5	Very high	48 Å²	48	44.8 Å²	44.8	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16.8	177.3	64.8	-18.8	0	0	0	113.7	K449 C474 E477 I481	K449-N479 WeakPolarHBondContact O-CB 3.4Å; K449-N479 PolarHBondContact O-ND2 3.43Å; C474-N479 WeakPolarHBondContact CB-OD1 3.31Å; C474-N479 PolarHBondContact SG-ND2 3.21Å; E477-N479 WeakPolarHBondContact CB-OD1 3.31Å; E477-N479 PolarHBondContact O-N 3.37Å; E477-N479 VanDerWaalsContact O-N 3.1Å; N479-I481 PolarHBondContact O-N 2.82Å
480	H	96.6	Very high	96.5	Very high	23 Å²	23	44.1 Å²	44.1	11%	0.106	25%	0.252	C	S	.	.			trans	-56.4	132	170.9	178.8	-140.9	0	0	0	111.4	R448 A473 C474 E477 T482 A574	R448-H480 WeakPolarHBondContact CD-O 3.07Å; R448-H480 PolarHBondContact NH1-O 3.11Å; A473-H480 WeakPolarHBondContact O-CA 3.49Å; A473-H480 PolarHBondContact O-CD2 3.47Å; C474-H480 WeakPolarHBondContact O-CA 3.42Å; C474-H480 VanDerWaalsContact O-CB 3.32Å; C474-H480 WeakPolarHBondContact O-CB 3.44Å; E477-H480 VanDerWaalsContact O-CB 3.26Å; E477-H480 WeakPolarHBondContact O-CB 3.2Å; E477-H480 PolarHBondContact O-N 2.58Å; H480-T482 WeakPolarHBondContact CE1-CG2 3.31Å; H480-A574 WeakPolarHBondContact O-CB 3.47Å
481	I	97.9	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.			trans	-123.8	127.4	-179.8	-64.8	163	0	0	0	109.3	R448 C450 A473 N479 L484 P543 L570	R448-I481 HydrophobicContact CB-CD1 4.27Å; R448-I481 HydrophobicContact CB-CG1 3.85Å; C450-I481 HydrophobicContact CB-CD1 3.95Å; A473-I481 WeakPolarHBondContact CB-O 3.4Å; A473-I481 PolarHBondContact O-N 3.23Å; A473-I481 VanDerWaalsContact O-N 3.16Å; N479-I481 PolarHBondContact O-N 2.82Å; I481-L484 HydrophobicContact CG2-CD1 4.49Å; I481-P543 HydrophobicContact CB-CG 4.31Å; I481-P543 HydrophobicContact CG2-CG 3.86Å; I481-L570 HydrophobicContact CD1-CB 3.92Å; I481-L570 WeakPolarHBondContact CD1-O 3.25Å
482	T	96.6	Very high	96.6	Very high	40 Å²	40	40.3 Å²	40.3	25%	0.245	23%	0.228	C	C	.	.	S	Bend	trans	-118.1	-8.5	172.2	65	0	0	0	0	112.4	H480 D542 T573 A574 P575	H480-T482 WeakPolarHBondContact CE1-CG2 3.31Å; T482-D542 WeakPolarHBondContact O-CA 3.37Å; T482-T573 PolarHBondContact N-O 2.96Å; T482-A574 HydrophobicContact CG2-CB 4.29Å; T482-P575 WeakPolarHBondContact OG1-CD 3.47Å
483	R	97.6	Very high	96.7	Very high	100 Å²	100	36.4 Å²	36.4	38%	0.377	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	99.9	179.2	-171.1	176.7	176.8	171.4	1.7	108.5	D540 G572 T573	R483-D540 HydrophobicContact CG-CB 4.3Å; R483-D540 IonicContact CZ-OD1 3.38Å; R483-D540 IonicContact NE-OD1 2.81Å; R483-D540 PolarHBondContact NE-OD1 3Å; R483-D540 IonicContact NH2-OD1 3.52Å; R483-D540 PolarHBondContact NH2-OD1 3.4Å; R483-D540 IonicContact NH2-OD2 2.67Å; R483-D540 PolarHBondContact NH2-OD2 3.09Å; R483-D540 VanDerWaalsContact NH2-OD2 3.16Å; R483-G572 WeakPolarHBondContact O-CA 3.22Å; R483-T573 PolarHBondContact N-O 3.42Å; R483-T573 PolarHBondContact O-N 3.35Å
484	L	98.6	Very high	96.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	147	-173.6	-165.8	70.2	0	0	0	111.7	I481 A487 D540 E541 P543 W547 L570 Y571	I481-L484 HydrophobicContact CG2-CD1 4.49Å; L484-A487 HydrophobicContact CD2-CB 4.06Å; L484-D540 WeakPolarHBondContact O-CA 3.28Å; L484-D540 PolarHBondContact O-N 3.26Å; L484-E541 WeakPolarHBondContact CB-O 3.42Å; L484-E541 PolarHBondContact N-O 3.25Å; L484-P543 HydrophobicContact CB-CG 4.5Å; L484-P543 HydrophobicContact CD1-CB 4.07Å; L484-P543 HydrophobicContact CD1-CG 4.18Å; L484-P543 HydrophobicContact CD2-CB 4.42Å; L484-W547 HydrophobicContact CD2-CH2 4.09Å; L484-W547 HydrophobicContact CD2-CZ2 4.35Å; L484-L570 HydrophobicContact CD1-CB 3.83Å; L484-L570 HydrophobicContact CD1-CD2 3.82Å; L484-L570 HydrophobicContact CD1-CG 4.37Å; L484-Y571 WeakPolarHBondContact CD1-O 3.29Å
485	E	98.8	Very high	96.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-85.8	168	-68.2	172.8	167	0	0	107.7	R391 H395 W539 Y571	R391-E485 IonicContact CZ-OE1 3.36Å; R391-E485 VanDerWaalsContact CZ-OE1 3.27Å; R391-E485 IonicContact CZ-OE2 2.81Å; R391-E485 IonicContact NE-OE1 3.61Å; R391-E485 PolarHBondContact NE-OE1 3.37Å; R391-E485 VanDerWaalsContact NE-OE1 3.16Å; R391-E485 IonicContact NE-OE2 3.84Å; R391-E485 PolarHBondContact NE-OE2 3.21Å; R391-E485 IonicContact NH2-OE1 3.25Å; R391-E485 PolarHBondContact NH2-OE1 2.82Å; R391-E485 IonicContact NH2-OE2 2.86Å; R391-E485 PolarHBondContact NH2-OE2 2.8Å; H395-E485 IonicContact CD2-OE1 3.95Å; H395-E485 IonicContact CE1-OE1 3.16Å; H395-E485 IonicContact NE2-OE1 3.27Å; H395-E485 PolarHBondContact NE2-OE1 3.37Å; E485-W539 HydrophobicContact CB-CD2 4.36Å; E485-W539 HydrophobicContact CB-CE3 4.38Å; E485-W539 HydrophobicContact CB-CH2 3.92Å; E485-W539 HydrophobicContact CB-CZ2 3.9Å; E485-W539 HydrophobicContact CB-CZ3 4.18Å; E485-W539 HydrophobicContact CG-CH2 4.34Å; E485-W539 HydrophobicContact CG-CZ2 3.86Å; E485-Y571 PolarHBondContact N-O 2.76Å
486	H	98.9	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.6	174.6	-41.2	83.4	0	0	0	110.9	I312 Q394 M534 W539 Y571	I312-H486 HydrophobicContact CB-CB 4.35Å; I312-H486 HydrophobicContact CG2-CB 3.57Å; Q394-H486 PolarHBondContact OE1-CE1 3.15Å; Q394-H486 PolarHBondContact OE1-NE2 3.32Å; H486-M534 HydrophobicContact CB-CG 4.39Å; H486-M534 HydrophobicContact CB-SD 4.43Å; H486-W539 AromaticContact CD2-CZ3 3.79Å; H486-W539 AromaticContact CE1-CH2 3.69Å; H486-W539 AromaticContact CE1-CZ3 3.77Å; H486-W539 AromaticContact NE2-CH2 3.76Å; H486-W539 AromaticContact NE2-CZ3 3.48Å; H486-W539 WeakPolarHBondContact NE2-CZ3 3.3Å; H486-Y571 HydrophobicContact CB-CD2 4.14Å; H486-Y571 PolarHBondContact O-N 2.83Å
487	A	98.9	Very high	97.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.8	163	0	0	0	0	0	110.1	L484 M534 T535 W547 V569 L570	L484-A487 HydrophobicContact CD2-CB 4.06Å; A487-M534 CarbonylContact O-C 3.6Å; A487-M534 WeakPolarHBondContact O-CA 3.39Å; A487-T535 HydrophobicContact CB-CG2 3.95Å; A487-T535 PolarHBondContact N-O 2.93Å; A487-T535 PolarHBondContact O-N 2.88Å; A487-W547 HydrophobicContact CB-CH2 4.19Å; A487-V569 CarbonylContact C-O 3.45Å; A487-V569 WeakPolarHBondContact CA-O 3.27Å; A487-L570 HydrophobicContact CB-CD2 4.09Å
488	Q	98.9	Very high	97.7	Very high	13 Å²	13	30.7 Å²	30.7	6%	0.061	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.5	172.6	-61.3	177.6	-30	0	0	110.6	R490 F533 M534 L568 V569 Y571	Q488-R490 HydrophobicContact CB-CG 4.5Å; Q488-R490 VanDerWaalsContact OE1-NH2 3.09Å; Q488-F533 CarbonylContact C-O 3.54Å; Q488-F533 WeakPolarHBondContact CA-O 3.34Å; Q488-M534 HydrophobicContact CG-CB 4.2Å; Q488-M534 HydrophobicContact CG-CG 4.13Å; Q488-L568 WeakPolarHBondContact O-CA 3.39Å; Q488-V569 HydrophobicContact CB-CB 4.22Å; Q488-V569 PolarHBondContact N-O 2.87Å; Q488-V569 PolarHBondContact O-N 3.36Å; Q488-Y571 HydrophobicContact CG-CE2 4.22Å
489	A	98.8	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	103.1	161.7	0	0	0	0	0	108.3	L491 L505 L515 F533 F566	A489-L491 HydrophobicContact CB-CD2 4.26Å; A489-L491 HydrophobicContact CB-CG 4.43Å; A489-L491 PolarHBondContact O-N 3.1Å; A489-L505 HydrophobicContact CB-CD2 4.39Å; A489-L515 HydrophobicContact CB-CD1 3.6Å; A489-F533 PolarHBondContact N-O 2.84Å; A489-F533 PolarHBondContact O-N 2.88Å; A489-F566 HydrophobicContact CB-CD2 4.27Å; A489-F566 HydrophobicContact CB-CE2 3.68Å; A489-F566 HydrophobicContact CB-CZ 4.43Å
490	R	98.7	Very high	98.2	Very high	67 Å²	67	23.9 Å²	23.9	25%	0.253	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	111.3	176.4	-57.3	-169	173.9	-159.4	-8.2	109.4	Q488 W531 A532 F566 T567 V569	Q488-R490 HydrophobicContact CB-CG 4.5Å; Q488-R490 VanDerWaalsContact OE1-NH2 3.09Å; R490-W531 VanDerWaalsContact CA-O 3.32Å; R490-W531 WeakPolarHBondContact CA-O 3.13Å; R490-A532 HydrophobicContact CG-CB 3.8Å; R490-F566 WeakPolarHBondContact O-CA 3.47Å; R490-T567 PolarHBondContact N-O 3.03Å; R490-T567 PolarHBondContact O-N 3.13Å; R490-V569 HydrophobicContact CG-CG2 4.2Å
491	L	98.8	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.3	-171.8	-54.4	-176.7	0	0	0	110.9	A489 L493 I503 D530 W531 F533 L549 L563 K565 F566	A489-L491 HydrophobicContact CB-CD2 4.26Å; A489-L491 HydrophobicContact CB-CG 4.43Å; A489-L491 PolarHBondContact O-N 3.1Å; L491-L493 HydrophobicContact CB-CD2 4.38Å; L491-I503 HydrophobicContact CD1-CD1 4.02Å; L491-I503 HydrophobicContact CD1-CG2 4.01Å; L491-D530 CarbonylContact O-C 3.5Å; L491-D530 WeakPolarHBondContact O-CA 3.44Å; L491-D530 PolarHBondContact O-N 3.39Å; L491-D530 VanDerWaalsContact O-N 3.08Å; L491-W531 PolarHBondContact N-O 3.47Å; L491-W531 PolarHBondContact O-N 2.78Å; L491-F533 HydrophobicContact CB-CD2 4.46Å; L491-F533 HydrophobicContact CB-CE2 4.35Å; L491-F533 HydrophobicContact CD1-CD2 3.83Å; L491-F533 HydrophobicContact CD1-CE2 3.89Å; L491-F533 HydrophobicContact CG-CD2 4.08Å; L491-F533 HydrophobicContact CG-CE2 4.33Å; L491-L549 HydrophobicContact CD1-CD1 4.37Å; L491-L549 HydrophobicContact CD1-CD2 4.45Å; L491-L549 HydrophobicContact CD2-CD2 3.79Å; L491-L563 HydrophobicContact CB-CD1 4.39Å; L491-L563 HydrophobicContact CD2-CD1 4.26Å; L491-K565 WeakPolarHBondContact CA-O 3.39Å; L491-F566 HydrophobicContact CD2-CB 3.8Å; L491-F566 HydrophobicContact CD2-CD2 3.54Å; L491-F566 HydrophobicContact CD2-CE2 4.33Å; L491-F566 HydrophobicContact CD2-CG 3.75Å
492	T	98.8	Very high	98.3	Very high	28 Å²	28	23.1 Å²	23.1	17%	0.172	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116	162.4	-52.4	0	0	0	0	107.6	F528 D530 T564 K565	T492-F528 CarbonylContact C-O 3.57Å; T492-F528 VanDerWaalsContact CA-O 3.29Å; T492-F528 WeakPolarHBondContact CA-O 3.32Å; T492-D530 PolarHBondContact OG1-N 3.45Å; T492-D530 VanDerWaalsContact OG1-N 3.12Å; T492-T564 WeakPolarHBondContact CG2-OG1 3.49Å; T492-T564 PolarHBondContact O-N 2.97Å; T492-T564 PolarHBondContact O-OG1 2.64Å; T492-T564 VanDerWaalsContact O-OG1 3.05Å; T492-K565 PolarHBondContact N-O 2.88Å; T492-K565 PolarHBondContact O-N 3.15Å; T492-K565 VanDerWaalsContact O-N 3.17Å
493	L	98.5	Very high	98.4	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.031	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.7	179.9	67	90.1	0	0	0	111.5	I461 L491 L501 I503 G527 F528 I551 T562 L563	I461-L493 HydrophobicContact CD1-CB 4.19Å; I461-L493 HydrophobicContact CD1-CD1 4.33Å; L491-L493 HydrophobicContact CB-CD2 4.38Å; L493-L501 HydrophobicContact CD1-CD1 3.79Å; L493-I503 HydrophobicContact CD2-CD1 4.31Å; L493-G527 WeakPolarHBondContact O-CA 3.28Å; L493-F528 HydrophobicContact CD1-CD2 4.04Å; L493-F528 HydrophobicContact CD2-CD2 4.12Å; L493-F528 HydrophobicContact CG-CB 4.2Å; L493-F528 HydrophobicContact CG-CD2 4.13Å; L493-F528 PolarHBondContact N-O 2.97Å; L493-F528 PolarHBondContact O-N 3.48Å; L493-I551 HydrophobicContact CD2-CD1 4.29Å; L493-T562 VanDerWaalsContact CA-O 3.26Å; L493-T562 WeakPolarHBondContact CA-O 3.47Å; L493-L563 HydrophobicContact CB-CD1 4.01Å; L493-L563 HydrophobicContact CD2-CD1 4.34Å
494	S	98.3	Very high	98.5	Very high	61 Å²	61	17 Å²	17	43%	0.427	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	144.3	165.9	59	0	0	0	0	109.6	G561 T562	S494-G561 CarbonylContact O-C 3.56Å; S494-G561 WeakPolarHBondContact O-CA 3.39Å; S494-T562 PolarHBondContact N-O 3.07Å; S494-T562 PolarHBondContact O-N 3.11Å; S494-T562 PolarHBondContact OG-N 3.15Å
495	Y	98.1	Very high	98.5	Very high	5 Å²	5	17 Å²	17	2%	0.02	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	140.9	174.8	-150.2	-110.9	0	0	0	110.3	I461 R497 L501 A525 N553 N559 Y560	I461-Y495 HydrophobicContact CB-CD2 4.39Å; I461-Y495 HydrophobicContact CB-CE2 4.04Å; I461-Y495 HydrophobicContact CD1-CD2 3.91Å; I461-Y495 HydrophobicContact CD1-CE2 4.37Å; I461-Y495 HydrophobicContact CG2-CD2 4.28Å; I461-Y495 HydrophobicContact CG2-CE2 3.66Å; Y495-R497 VanDerWaalsContact C-N 3.34Å; Y495-R497 VanDerWaalsContact CD1-O 3.26Å; Y495-R497 WeakPolarHBondContact CD1-O 3.36Å; Y495-R497 PolarHBondContact O-N 2.89Å; Y495-L501 HydrophobicContact CD1-CD1 3.85Å; Y495-L501 HydrophobicContact CD1-CD2 3.73Å; Y495-L501 HydrophobicContact CD1-CG 3.63Å; Y495-L501 HydrophobicContact CD2-CD1 4.42Å; Y495-L501 HydrophobicContact CD2-CD2 3.95Å; Y495-L501 HydrophobicContact CE1-CD1 4.41Å; Y495-L501 HydrophobicContact CE1-CD2 3.45Å; Y495-L501 VanDerWaalsContact CE1-CD2 3.45Å; Y495-L501 HydrophobicContact CE1-CG 3.71Å; Y495-L501 HydrophobicContact CE2-CD2 3.73Å; Y495-L501 HydrophobicContact CG-CD1 3.85Å; Y495-L501 HydrophobicContact CG-CD2 3.97Å; Y495-L501 HydrophobicContact CG-CG 4.06Å; Y495-L501 VanDerWaalsContact CZ-CD2 3.44Å; Y495-A525 CarbonylContact O-C 3.41Å; Y495-A525 WeakPolarHBondContact O-CA 3.34Å; Y495-N553 VanDerWaalsContact OH-CB 3.29Å; Y495-N553 WeakPolarHBondContact OH-CB 3.13Å; Y495-N559 HydrophobicContact CE1-CB 3.61Å; Y495-N559 HydrophobicContact CE2-CB 4.43Å; Y495-N559 VanDerWaalsContact CZ-CB 3.5Å; Y495-N559 WeakPolarHBondContact OH-CB 3.39Å; Y495-Y560 WeakPolarHBondContact CD2-O 3.28Å
496	N	97.5	Very high	98.5	Very high	45 Å²	45	18.2 Å²	18.2	24%	0.241	9%	0.092	C	C	.	.	S	Bend	trans	-73	-23.2	-174.8	68.9	-61.5	0	0	0	114.2	N559 Y560	N496-N559 PolarHBondContact ND2-OD1 2.88Å; N496-N559 WeakPolarHBondContact OD1-CA 3.27Å; N496-N559 WeakPolarHBondContact OD1-CB 3.49Å; N496-N559 PolarHBondContact OD1-OD1 3.29Å; N496-Y560 HydrophobicContact CB-CD1 4.41Å; N496-Y560 HydrophobicContact CB-CD2 4.47Å; N496-Y560 HydrophobicContact CB-CE1 4.01Å; N496-Y560 HydrophobicContact CB-CE2 4.07Å; N496-Y560 PolarHBondContact N-O 3.14Å; N496-Y560 VanDerWaalsContact N-O 3.17Å; N496-Y560 PolarHBondContact OD1-N 2.69Å; N496-Y560 PolarHBondContact OD1-O 3.11Å
497	R	97.9	Very high	98.5	Very high	75 Å²	75	18.4 Å²	18.4	28%	0.283	9%	0.093	S	C	.	.			trans	-147.1	93.8	175.8	-176.9	160.1	-174.9	-101.5	-7.5	111.1	Y495 G499 D500 P520 S524	Y495-R497 VanDerWaalsContact C-N 3.34Å; Y495-R497 VanDerWaalsContact CD1-O 3.26Å; Y495-R497 WeakPolarHBondContact CD1-O 3.36Å; Y495-R497 PolarHBondContact O-N 2.89Å; R497-G499 VanDerWaalsContact C-N 3.33Å; R497-G499 PolarHBondContact O-N 3.05Å; R497-D500 WeakPolarHBondContact CD-OD2 3.26Å; R497-D500 IonicContact CZ-OD1 3.5Å; R497-D500 IonicContact CZ-OD2 2.94Å; R497-D500 IonicContact NE-OD2 3.63Å; R497-D500 IonicContact NH1-OD1 2.73Å; R497-D500 PolarHBondContact NH1-OD1 2.92Å; R497-D500 IonicContact NH1-OD2 3.72Å; R497-D500 PolarHBondContact NH1-OD2 2.91Å; R497-D500 PolarHBondContact O-N 2.76Å; R497-P520 PolarHBondContact NH2-O 3.28Å; R497-S524 WeakPolarHBondContact CA-O 3.45Å
498	R	98.3	Very high	98.5	Very high	21 Å²	21	20.4 Å²	20.4	8%	0.079	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-57.5	-38.6	-169.5	-172.6	168.3	65.2	-166.5	-1.5	114.2	K261 V263 D500 L501 D522 S524 G527 F528	K261-R498 PolarHBondContact O-NH2 2.78Å; V263-R498 VanDerWaalsContact CG2-CZ 3.41Å; R498-D500 PolarHBondContact O-N 2.77Å; R498-L501 WeakPolarHBondContact O-CB 3.41Å; R498-L501 PolarHBondContact O-N 2.96Å; R498-L501 VanDerWaalsContact O-N 3.11Å; R498-D522 WeakPolarHBondContact CG-OD2 3.11Å; R498-D522 IonicContact CZ-OD1 3.21Å; R498-D522 IonicContact CZ-OD2 3.16Å; R498-D522 IonicContact NE-OD1 2.79Å; R498-D522 PolarHBondContact NE-OD1 3.21Å; R498-D522 IonicContact NE-OD2 3.69Å; R498-D522 PolarHBondContact NE-OD2 2.88Å; R498-D522 IonicContact NH2-OD1 2.88Å; R498-D522 PolarHBondContact NH2-OD1 3.42Å; R498-D522 IonicContact NH2-OD2 2.69Å; R498-S524 WeakPolarHBondContact CB-O 3.22Å; R498-S524 PolarHBondContact N-O 3.37Å; R498-G527 WeakPolarHBondContact CD-O 3.44Å; R498-G527 PolarHBondContact NH1-O 3.13Å; R498-F528 HydrophobicContact CG-CD2 4.22Å; R498-F528 HydrophobicContact CG-CE2 3.48Å; R498-F528 VanDerWaalsContact CG-CE2 3.48Å; R498-F528 HydrophobicContact CG-CZ 3.71Å
499	G	97.9	Very high	98.5	Very high	2 Å²	2	24 Å²	24	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-66.2	-14	-178.3	0	0	0	0	0	116.3	R497 L501 A518 R519 D522	R497-G499 VanDerWaalsContact C-N 3.33Å; R497-G499 PolarHBondContact O-N 3.05Å; G499-L501 VanDerWaalsContact C-N 3.27Å; G499-A518 CarbonylContact O-C 3.4Å; G499-A518 WeakPolarHBondContact O-CA 3.46Å; G499-R519 WeakPolarHBondContact CA-O 3.46Å; G499-R519 PolarHBondContact O-N 2.79Å; G499-D522 VanDerWaalsContact CA-O 3.22Å; G499-D522 WeakPolarHBondContact CA-O 3.19Å; G499-D522 PolarHBondContact N-O 2.68Å
500	D	98.2	Very high	98.5	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.059	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-84.9	-1.4	175.1	-72.3	-26	0	0	0	113.2	R497 R498 N553 T554 S555 N559	R497-D500 WeakPolarHBondContact CD-OD2 3.26Å; R497-D500 IonicContact CZ-OD1 3.5Å; R497-D500 IonicContact CZ-OD2 2.94Å; R497-D500 IonicContact NE-OD2 3.63Å; R497-D500 IonicContact NH1-OD1 2.73Å; R497-D500 PolarHBondContact NH1-OD1 2.92Å; R497-D500 IonicContact NH1-OD2 3.72Å; R497-D500 PolarHBondContact NH1-OD2 2.91Å; R497-D500 PolarHBondContact O-N 2.76Å; R498-D500 PolarHBondContact O-N 2.77Å; D500-N553 CarbonylContact O-C 3.59Å; D500-N553 WeakPolarHBondContact O-CA 3.33Å; D500-T554 PolarHBondContact O-N 2.95Å; D500-T554 PolarHBondContact O-OG1 3.3Å; D500-S555 VanDerWaalsContact CG-CB 3.4Å; D500-S555 WeakPolarHBondContact OD2-CB 3.23Å; D500-N559 VanDerWaalsContact CB-ND2 3.33Å; D500-N559 WeakPolarHBondContact CB-ND2 3.04Å; D500-N559 PolarHBondContact OD2-ND2 3.48Å
501	L	98.6	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.8	176.5	-65.6	174.8	0	0	0	111	I461 L493 Y495 R498 G499 L516 I551 E552	I461-L501 HydrophobicContact CG2-CD2 4.38Å; L493-L501 HydrophobicContact CD1-CD1 3.79Å; Y495-L501 HydrophobicContact CD1-CD1 3.85Å; Y495-L501 HydrophobicContact CD1-CD2 3.73Å; Y495-L501 HydrophobicContact CD1-CG 3.63Å; Y495-L501 HydrophobicContact CD2-CD1 4.42Å; Y495-L501 HydrophobicContact CD2-CD2 3.95Å; Y495-L501 HydrophobicContact CE1-CD1 4.41Å; Y495-L501 HydrophobicContact CE1-CD2 3.45Å; Y495-L501 VanDerWaalsContact CE1-CD2 3.45Å; Y495-L501 HydrophobicContact CE1-CG 3.71Å; Y495-L501 HydrophobicContact CE2-CD2 3.73Å; Y495-L501 HydrophobicContact CG-CD1 3.85Å; Y495-L501 HydrophobicContact CG-CD2 3.97Å; Y495-L501 HydrophobicContact CG-CG 4.06Å; Y495-L501 VanDerWaalsContact CZ-CD2 3.44Å; R498-L501 WeakPolarHBondContact O-CB 3.41Å; R498-L501 PolarHBondContact O-N 2.96Å; R498-L501 VanDerWaalsContact O-N 3.11Å; G499-L501 VanDerWaalsContact C-N 3.27Å; L501-L516 HydrophobicContact CB-CD2 4.15Å; L501-I551 HydrophobicContact CD2-CG2 3.8Å; L501-E552 WeakPolarHBondContact CA-O 3.44Å
502	A	98.6	Very high	98.5	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.9	155.5	0	0	0	0	0	109.3	L516 E552 T554	A502-L516 CarbonylContact C-O 3.06Å; A502-L516 VanDerWaalsContact CA-O 3.32Å; A502-L516 WeakPolarHBondContact CA-O 3.38Å; A502-E552 HydrophobicContact CB-CG 3.83Å; A502-E552 PolarHBondContact N-O 2.93Å; A502-E552 PolarHBondContact O-N 3.1Å; A502-T554 HydrophobicContact CB-CG2 3.63Å
503	I	98.9	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.7	-175.5	-54	177	0	0	0	108.9	L491 L493 L515 L516 F533 L549 E550 I551	L491-I503 HydrophobicContact CD1-CD1 4.02Å; L491-I503 HydrophobicContact CD1-CG2 4.01Å; L493-I503 HydrophobicContact CD2-CD1 4.31Å; I503-L515 HydrophobicContact CB-CB 4.22Å; I503-L515 HydrophobicContact CG2-CB 4.02Å; I503-L515 HydrophobicContact CG2-CD1 4.08Å; I503-L515 PolarHBondContact O-N 2.88Å; I503-L516 HydrophobicContact CB-CB 3.92Å; I503-L516 HydrophobicContact CD1-CB 4.16Å; I503-L516 HydrophobicContact CD1-CD2 3.9Å; I503-L516 HydrophobicContact CG1-CB 4.02Å; I503-L516 HydrophobicContact CG1-CD2 4.18Å; I503-L516 PolarHBondContact N-O 3.02Å; I503-L516 PolarHBondContact O-N 3.27Å; I503-L516 VanDerWaalsContact O-N 3.1Å; I503-F533 HydrophobicContact CD1-CE2 4.12Å; I503-F533 HydrophobicContact CD1-CZ 4.13Å; I503-L549 HydrophobicContact CG2-CD1 3.75Å; I503-E550 CarbonylContact C-O 3.58Å; I503-E550 VanDerWaalsContact CA-O 3.31Å; I503-E550 WeakPolarHBondContact CA-O 3.49Å; I503-I551 HydrophobicContact CG1-CG1 4.34Å; I503-I551 HydrophobicContact CG1-CG2 4.39Å; I503-I551 HydrophobicContact CG2-CG1 4.28Å
504	H	98.9	Very high	98.5	Very high	13 Å²	13	29.1 Å²	29.1	6%	0.06	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.7	179.1	-53.4	83.8	0	0	0	111.2	R512 S513 T514 L549 E550 E552	H504-R512 HydrophobicContact CB-CG 4.37Å; H504-R512 PolarHBondContact CD2-NH2 3.18Å; H504-R512 VanDerWaalsContact CD2-NH2 3.33Å; H504-R512 PolarHBondContact CE1-NH2 3.44Å; H504-R512 VanDerWaalsContact CE1-NH2 3.33Å; H504-R512 VanDerWaalsContact CG-NH2 3.29Å; H504-R512 PolarHBondContact ND1-NH2 2.65Å; H504-R512 PolarHBondContact NE2-NH2 3.12Å; H504-S513 CarbonylContact C-O 3.58Å; H504-S513 VanDerWaalsContact CA-O 3.25Å; H504-S513 WeakPolarHBondContact CA-O 3.45Å; H504-T514 PolarHBondContact CD2-OG1 3.04Å; H504-L549 WeakPolarHBondContact O-CA 3.45Å; H504-E550 HydrophobicContact CB-CB 4.22Å; H504-E550 PolarHBondContact N-O 3.09Å; H504-E550 PolarHBondContact O-N 3.16Å; H504-E552 IonicContact CE1-OE1 2.74Å; H504-E552 PolarHBondContact CE1-OE1 3.31Å; H504-E552 VanDerWaalsContact CE1-OE1 3.28Å; H504-E552 IonicContact ND1-OE1 2.93Å
505	L	98.9	Very high	98.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.3	174.4	-176.1	69.3	0	0	0	109.5	A489 S513 L515 T535 W547 V548 L549 F566 L568	A489-L505 HydrophobicContact CB-CD2 4.39Å; L505-S513 PolarHBondContact N-O 3.32Å; L505-S513 PolarHBondContact O-N 2.75Å; L505-L515 HydrophobicContact CB-CD1 3.73Å; L505-L515 HydrophobicContact CB-CD2 4.23Å; L505-L515 HydrophobicContact CB-CG 3.93Å; L505-L515 HydrophobicContact CD2-CD1 4.46Å; L505-T535 HydrophobicContact CD2-CG2 4.43Å; L505-W547 HydrophobicContact CD1-CE3 3.83Å; L505-W547 HydrophobicContact CD1-CZ3 4.43Å; L505-W547 HydrophobicContact CD2-CE3 3.86Å; L505-W547 HydrophobicContact CD2-CZ3 3.63Å; L505-W547 HydrophobicContact CG-CE3 3.71Å; L505-W547 HydrophobicContact CG-CZ3 3.84Å; L505-V548 CarbonylContact C-O 3.6Å; L505-V548 WeakPolarHBondContact CA-O 3.5Å; L505-L549 HydrophobicContact CD1-CB 4.46Å; L505-L549 HydrophobicContact CD1-CD1 4.44Å; L505-F566 HydrophobicContact CD1-CZ 4.19Å; L505-L568 HydrophobicContact CD2-CD1 4.27Å
506	V	98.9	Very high	98.6	Very high	26 Å²	26	26.1 Å²	26.1	16%	0.158	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.8	177.8	-169.7	0	0	0	0	109.3	T511 R512 W547 V548	V506-T511 WeakPolarHBondContact CA-O 3.39Å; V506-R512 HydrophobicContact CG2-CB 4.19Å; V506-R512 HydrophobicContact CG2-CG 4Å; V506-W547 WeakPolarHBondContact O-CA 3.41Å; V506-V548 HydrophobicContact CB-CB 4.11Å; V506-V548 HydrophobicContact CG2-CB 4.41Å; V506-V548 PolarHBondContact N-O 3.15Å; V506-V548 PolarHBondContact O-N 3.33Å; V506-V548 VanDerWaalsContact O-N 3.08Å
507	S	98.8	Very high	98.6	Very high	4 Å²	4	26 Å²	26	3%	0.028	15%	0.146	C	C	.	.			trans	-76.1	164.2	175.3	80.3	0	0	0	0	112.1	M509 G510 T511 S538 E541	S507-M509 PolarHBondContact O-N 2.99Å; S507-M509 VanDerWaalsContact O-N 3.14Å; S507-M509 PolarHBondContact OG-N 3.06Å; S507-G510 PolarHBondContact O-N 3.48Å; S507-T511 PolarHBondContact N-O 3.19Å; S507-T511 WeakPolarHBondContact OG-CB 3.28Å; S507-T511 PolarHBondContact OG-N 2.86Å; S507-S538 WeakPolarHBondContact CB-OG 3.23Å; S507-E541 WeakPolarHBondContact CB-OE2 3.39Å; S507-E541 PolarHBondContact OG-OE2 2.59Å
508	P	98.7	Very high	98.6	Very high	43 Å²	43	24.2 Å²	24.2	28%	0.279	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26	175.5	-26.4	35.5	0	0	0	114.3	G510 S544 E546 W547	P508-G510 VanDerWaalsContact C-N 3.28Å; P508-S544 VanDerWaalsContact CB-O 3.31Å; P508-S544 WeakPolarHBondContact CB-O 3.39Å; P508-E546 VanDerWaalsContact CA-O 3.28Å; P508-E546 WeakPolarHBondContact CA-O 3.46Å; P508-W547 VanDerWaalsContact CD-CE2 3.45Å; P508-W547 HydrophobicContact CG-CG 4.41Å
509	M	98.6	Very high	98.6	Very high	89 Å²	89	23.3 Å²	23.3	44%	0.438	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.5	176.7	-59.5	-170.3	75.4	0	0	113.2	G415 S507 E541	G415-M509 WeakPolarHBondContact O-CE 3.28Å; S507-M509 PolarHBondContact O-N 2.99Å; S507-M509 VanDerWaalsContact O-N 3.14Å; S507-M509 PolarHBondContact OG-N 3.06Å; M509-E541 HydrophobicContact CG-CB 4.41Å; M509-E541 HydrophobicContact SD-CB 3.62Å; M509-E541 HydrophobicContact SD-CG 3.69Å
510	G	98.4	Very high	98.6	Very high	53 Å²	53	26.2 Å²	26.2	55%	0.546	16%	0.162	S	C	.	.			trans	90.9	7.7	175.5	0	0	0	0	0	115.1	S507 P508 R512	S507-G510 PolarHBondContact O-N 3.48Å; P508-G510 VanDerWaalsContact C-N 3.28Å; G510-R512 PolarHBondContact O-N 3.28Å
511	T	98.8	Very high	98.5	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.049	18%	0.178	C	C	.	.			trans	-76	115.1	178.5	-59.9	0	0	0	0	110.1	N414 G415 V506 S507 H537 E541	N414-T511 VanDerWaalsContact CA-OG1 3.29Å; N414-T511 WeakPolarHBondContact CA-OG1 3.49Å; N414-T511 HydrophobicContact CB-CG2 3.91Å; G415-T511 PolarHBondContact N-OG1 3.27Å; G415-T511 VanDerWaalsContact N-OG1 3.14Å; V506-T511 WeakPolarHBondContact CA-O 3.39Å; S507-T511 PolarHBondContact N-O 3.19Å; S507-T511 WeakPolarHBondContact OG-CB 3.28Å; S507-T511 PolarHBondContact OG-N 2.86Å; T511-H537 HydrophobicContact CG2-CB 4.09Å; T511-E541 VanDerWaalsContact CB-OE1 3.3Å; T511-E541 WeakPolarHBondContact CB-OE1 3.4Å; T511-E541 PolarHBondContact OG1-OE1 2.94Å
512	R	98.8	Very high	98.5	Very high	115 Å²	115	29.7 Å²	29.7	43%	0.434	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.5	179.3	-174.4	170.9	-173.3	-107.5	4.1	110.6	H504 V506 G510 E550	H504-R512 HydrophobicContact CB-CG 4.37Å; H504-R512 PolarHBondContact CD2-NH2 3.18Å; H504-R512 VanDerWaalsContact CD2-NH2 3.33Å; H504-R512 PolarHBondContact CE1-NH2 3.44Å; H504-R512 VanDerWaalsContact CE1-NH2 3.33Å; H504-R512 VanDerWaalsContact CG-NH2 3.29Å; H504-R512 PolarHBondContact ND1-NH2 2.65Å; H504-R512 PolarHBondContact NE2-NH2 3.12Å; V506-R512 HydrophobicContact CG2-CB 4.19Å; V506-R512 HydrophobicContact CG2-CG 4Å; G510-R512 PolarHBondContact O-N 3.28Å; R512-E550 IonicContact CZ-OE2 3.65Å; R512-E550 IonicContact NE-OE2 2.71Å; R512-E550 PolarHBondContact NE-OE2 3.27Å; R512-E550 VanDerWaalsContact NE-OE2 3.13Å; R512-E550 IonicContact NH2-OE2 2.69Å; R512-E550 PolarHBondContact NH2-OE2 3.17Å
513	S	98.9	Very high	98.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.7	174.8	-57	0	0	0	0	110.2	H504 L505 L515 T535	H504-S513 CarbonylContact C-O 3.58Å; H504-S513 VanDerWaalsContact CA-O 3.25Å; H504-S513 WeakPolarHBondContact CA-O 3.45Å; L505-S513 PolarHBondContact N-O 3.32Å; L505-S513 PolarHBondContact O-N 2.75Å; S513-L515 PolarHBondContact O-N 3.45Å; S513-T535 WeakPolarHBondContact CB-OG1 3.35Å; S513-T535 PolarHBondContact OG-OG1 3.04Å
514	T	98.8	Very high	98.4	Very high	31 Å²	31	38.4 Å²	38.4	19%	0.19	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	107.9	167.8	-55.2	0	0	0	0	108.1	S334 H422 H504 A517	S334-T514 WeakPolarHBondContact CB-O 3.43Å; S334-T514 PolarHBondContact OG-O 3.3Å; H422-T514 PolarHBondContact NE2-N 3.37Å; H504-T514 PolarHBondContact CD2-OG1 3.04Å; T514-A517 HydrophobicContact CG2-CB 4.4Å
515	L	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-36	177.8	-63.8	-172.6	0	0	0	111.4	N304 A489 I503 L505 S513 F533 T535 L549	N304-L515 VanDerWaalsContact CB-O 3.24Å; N304-L515 WeakPolarHBondContact CB-O 3.46Å; N304-L515 PolarHBondContact ND2-O 2.8Å; A489-L515 HydrophobicContact CB-CD1 3.6Å; I503-L515 HydrophobicContact CB-CB 4.22Å; I503-L515 HydrophobicContact CG2-CB 4.02Å; I503-L515 HydrophobicContact CG2-CD1 4.08Å; I503-L515 PolarHBondContact O-N 2.88Å; L505-L515 HydrophobicContact CB-CD1 3.73Å; L505-L515 HydrophobicContact CB-CD2 4.23Å; L505-L515 HydrophobicContact CB-CG 3.93Å; L505-L515 HydrophobicContact CD2-CD1 4.46Å; S513-L515 PolarHBondContact O-N 3.45Å; L515-F533 HydrophobicContact CB-CB 3.91Å; L515-F533 HydrophobicContact CB-CD1 4.2Å; L515-F533 HydrophobicContact CB-CG 4.11Å; L515-F533 HydrophobicContact CD1-CB 3.96Å; L515-F533 HydrophobicContact CD2-CB 4.14Å; L515-F533 HydrophobicContact CG-CB 4.23Å; L515-F533 VanDerWaalsContact O-CD1 3.27Å; L515-F533 WeakPolarHBondContact O-CD1 3.49Å; L515-T535 HydrophobicContact CD2-CG2 4.5Å; L515-L549 HydrophobicContact CD1-CD1 4.25Å
516	L	98.8	Very high	98.3	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	126.7	175.7	-179.7	65.4	0	0	0	108.8	C305 L501 A502 I503 F528 F533	C305-L516 VanDerWaalsContact SG-CD1 3.6Å; L501-L516 HydrophobicContact CB-CD2 4.15Å; A502-L516 CarbonylContact C-O 3.06Å; A502-L516 VanDerWaalsContact CA-O 3.32Å; A502-L516 WeakPolarHBondContact CA-O 3.38Å; I503-L516 HydrophobicContact CB-CB 3.92Å; I503-L516 HydrophobicContact CD1-CB 4.16Å; I503-L516 HydrophobicContact CD1-CD2 3.9Å; I503-L516 HydrophobicContact CG1-CB 4.02Å; I503-L516 HydrophobicContact CG1-CD2 4.18Å; I503-L516 PolarHBondContact N-O 3.02Å; I503-L516 PolarHBondContact O-N 3.27Å; I503-L516 VanDerWaalsContact O-N 3.1Å; L516-F528 HydrophobicContact CD1-CZ 4.44Å; L516-F528 HydrophobicContact CD2-CE2 3.61Å; L516-F528 HydrophobicContact CD2-CZ 3.61Å; L516-F533 HydrophobicContact CB-CE1 3.98Å; L516-F533 HydrophobicContact CB-CZ 4.41Å; L516-F533 HydrophobicContact CD1-CE1 4.39Å; L516-F533 HydrophobicContact CD2-CZ 4.42Å
517	A	98.2	Very high	98.2	Very high	42 Å²	42	46.3 Å²	46.3	35%	0.347	27%	0.265	S	S	.	.			trans	-88.8	159.9	165.4	0	0	0	0	0	110.3	T514 R519	T514-A517 HydrophobicContact CG2-CB 4.4Å; A517-R519 PolarHBondContact O-N 2.8Å
518	A	98.1	Very high	98.1	Very high	38 Å²	38	46.4 Å²	46.4	31%	0.314	27%	0.265	S	S	.	.			trans	-60.2	133.7	173.8	0	0	0	0	0	110.5	G499 T554	G499-A518 CarbonylContact O-C 3.4Å; G499-A518 WeakPolarHBondContact O-CA 3.46Å; A518-T554 HydrophobicContact CB-CG2 4.1Å; A518-T554 WeakPolarHBondContact CB-OG1 3.37Å
519	R	98.3	Very high	98.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.008	29%	0.287	C	S	.	.			trans	-119.2	94.9	179.7	-61.7	-161.3	-57.2	163.8	3	109.6	G260 K261 T262 V263 D301 G499 A517 H521 D522	G260-R519 WeakPolarHBondContact O-CB 3.45Å; K261-R519 PolarHBondContact O-NH2 2.74Å; K261-R519 VanDerWaalsContact O-NH2 3.16Å; T262-R519 PolarHBondContact O-NH1 3.28Å; T262-R519 PolarHBondContact O-NH2 3.16Å; V263-R519 VanDerWaalsContact CG2-NH2 3.28Å; D301-R519 WeakPolarHBondContact OD1-CD 3.45Å; D301-R519 IonicContact OD1-CZ 2.74Å; D301-R519 IonicContact OD1-NH1 3.07Å; D301-R519 PolarHBondContact OD1-NH1 3.05Å; G499-R519 WeakPolarHBondContact CA-O 3.46Å; G499-R519 PolarHBondContact O-N 2.79Å; A517-R519 PolarHBondContact O-N 2.8Å; R519-H521 PolarHBondContact O-N 3.04Å; R519-D522 HydrophobicContact CB-CB 3.98Å; R519-D522 IonicContact CZ-OD2 2.91Å; R519-D522 IonicContact NE-OD2 2.71Å; R519-D522 IonicContact NH2-OD2 2.79Å; R519-D522 PolarHBondContact NH2-OD2 2.73Å; R519-D522 PolarHBondContact O-N 3.12Å
520	P	97.4	Very high	98	Very high	64 Å²	64	49.6 Å²	49.6	42%	0.416	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.4	-171.7	-26.9	35.3	0	0	0	115.1	H300 R497	H300-P520 HydrophobicContact CB-CG 4.39Å; R497-P520 PolarHBondContact NH2-O 3.28Å
521	H	97.5	Very high	98.1	Very high	82 Å²	82	49 Å²	49	38%	0.38	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.7	-178.9	-60.7	-45	0	0	0	113.8	E299 R519 Y523	E299-H521 PolarHBondContact O-CD2 2.88Å; E299-H521 VanDerWaalsContact O-CD2 3.28Å; E299-H521 IonicContact OE2-CD2 3.39Å; R519-H521 PolarHBondContact O-N 3.04Å; H521-Y523 WeakPolarHBondContact O-CD1 3.42Å; H521-Y523 PolarHBondContact O-N 3.42Å
522	D	98.3	Very high	98	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	27%	0.268	C	S	.	.			trans	-83.8	92.3	177	-172.2	2.9	0	0	0	111.8	G260 K261 R498 G499 R519 S524	G260-D522 PolarHBondContact O-N 2.83Å; K261-D522 HydrophobicContact CB-CB 4.19Å; R498-D522 WeakPolarHBondContact CG-OD2 3.11Å; R498-D522 IonicContact CZ-OD1 3.21Å; R498-D522 IonicContact CZ-OD2 3.16Å; R498-D522 IonicContact NE-OD1 2.79Å; R498-D522 PolarHBondContact NE-OD1 3.21Å; R498-D522 IonicContact NE-OD2 3.69Å; R498-D522 PolarHBondContact NE-OD2 2.88Å; R498-D522 IonicContact NH2-OD1 2.88Å; R498-D522 PolarHBondContact NH2-OD1 3.42Å; R498-D522 IonicContact NH2-OD2 2.69Å; G499-D522 VanDerWaalsContact CA-O 3.22Å; G499-D522 WeakPolarHBondContact CA-O 3.19Å; G499-D522 PolarHBondContact N-O 2.68Å; R519-D522 HydrophobicContact CB-CB 3.98Å; R519-D522 IonicContact CZ-OD2 2.91Å; R519-D522 IonicContact NE-OD2 2.71Å; R519-D522 IonicContact NH2-OD2 2.79Å; R519-D522 PolarHBondContact NH2-OD2 2.73Å; R519-D522 PolarHBondContact O-N 3.12Å; D522-S524 VanDerWaalsContact OD1-CB 3.28Å; D522-S524 WeakPolarHBondContact OD1-CB 3.29Å; D522-S524 PolarHBondContact OD1-N 3.27Å; D522-S524 VanDerWaalsContact OD1-N 3.12Å
523	Y	97.6	Very high	98	Very high	171 Å²	171	44.1 Å²	44.1	67%	0.671	25%	0.248	S	C	*	.			trans	-95.9	14.2	174.9	56.1	-93.6	0	0	0	113.6	H521	H521-Y523 WeakPolarHBondContact O-CD1 3.42Å; H521-Y523 PolarHBondContact O-N 3.42Å
524	S	98	Very high	98	Very high	18 Å²	18	44.2 Å²	44.2	13%	0.126	25%	0.248	C	C	.	.			trans	-63	144.1	179.9	172.6	0	0	0	0	111.8	R497 R498 D522 D526	R497-S524 WeakPolarHBondContact CA-O 3.45Å; R498-S524 WeakPolarHBondContact CB-O 3.22Å; R498-S524 PolarHBondContact N-O 3.37Å; D522-S524 VanDerWaalsContact OD1-CB 3.28Å; D522-S524 WeakPolarHBondContact OD1-CB 3.29Å; D522-S524 PolarHBondContact OD1-N 3.27Å; D522-S524 VanDerWaalsContact OD1-N 3.12Å; S524-D526 VanDerWaalsContact OG-CB 3.32Å; S524-D526 WeakPolarHBondContact OG-CB 3.44Å; S524-D526 VanDerWaalsContact OG-CG 3.22Å; S524-D526 PolarHBondContact OG-N 2.66Å; S524-D526 PolarHBondContact OG-OD2 2.83Å
525	A	97.2	Very high	98	Very high	68 Å²	68	42.8 Å²	42.8	56%	0.562	24%	0.239	S	C	*	.	S	Bend	trans	-102.5	6.7	171.5	0	0	0	0	0	112.6	Y495 G527	Y495-A525 CarbonylContact O-C 3.41Å; Y495-A525 WeakPolarHBondContact O-CA 3.34Å; A525-G527 PolarHBondContact O-N 2.8Å
526	D	96.6	Very high	98.1	Very high	136 Å²	136	42.8 Å²	42.8	73%	0.727	24%	0.24	S	C	*	.			trans	-76.9	-14.8	-174.5	-55.4	-43.8	0	0	0	112.4	S524	S524-D526 VanDerWaalsContact OG-CB 3.32Å; S524-D526 WeakPolarHBondContact OG-CB 3.44Å; S524-D526 VanDerWaalsContact OG-CG 3.22Å; S524-D526 PolarHBondContact OG-N 2.66Å; S524-D526 PolarHBondContact OG-OD2 2.83Å
527	G	96.9	Very high	98.1	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	24%	0.24	C	C	.	.			trans	63.1	-145.5	-176	0	0	0	0	0	112.3	L493 R498 A525	L493-G527 WeakPolarHBondContact O-CA 3.28Å; R498-G527 WeakPolarHBondContact CD-O 3.44Å; R498-G527 PolarHBondContact NH1-O 3.13Å; A525-G527 PolarHBondContact O-N 2.8Å
528	F	98.6	Very high	98.1	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136	173.6	-68	-81.4	0	0	0	109.5	V263 T492 L493 R498 L516 W531 F533	V263-F528 HydrophobicContact CG1-CD1 4.16Å; V263-F528 HydrophobicContact CG1-CE1 3.95Å; V263-F528 HydrophobicContact CG2-CE1 3.78Å; V263-F528 HydrophobicContact CG2-CZ 4.43Å; T492-F528 CarbonylContact C-O 3.57Å; T492-F528 VanDerWaalsContact CA-O 3.29Å; T492-F528 WeakPolarHBondContact CA-O 3.32Å; L493-F528 HydrophobicContact CD1-CD2 4.04Å; L493-F528 HydrophobicContact CD2-CD2 4.12Å; L493-F528 HydrophobicContact CG-CB 4.2Å; L493-F528 HydrophobicContact CG-CD2 4.13Å; L493-F528 PolarHBondContact N-O 2.97Å; L493-F528 PolarHBondContact O-N 3.48Å; R498-F528 HydrophobicContact CG-CD2 4.22Å; R498-F528 HydrophobicContact CG-CE2 3.48Å; R498-F528 VanDerWaalsContact CG-CE2 3.48Å; R498-F528 HydrophobicContact CG-CZ 3.71Å; L516-F528 HydrophobicContact CD1-CZ 4.44Å; L516-F528 HydrophobicContact CD2-CE2 3.61Å; L516-F528 HydrophobicContact CD2-CZ 3.61Å; F528-W531 HydrophobicContact CB-CB 3.93Å; F528-W531 HydrophobicContact CD1-CB 3.82Å; F528-W531 AromaticContact CD1-CG 3.83Å; F528-W531 HydrophobicContact CD1-CG 3.83Å; F528-W531 HydrophobicContact CE1-CG 4.45Å; F528-W531 HydrophobicContact CG-CB 4.28Å; F528-F533 HydrophobicContact CD1-CE2 4.25Å; F528-F533 AromaticContact CD1-CZ 3.78Å; F528-F533 HydrophobicContact CD1-CZ 3.78Å; F528-F533 HydrophobicContact CD2-CE2 4.41Å; F528-F533 HydrophobicContact CD2-CZ 4.1Å; F528-F533 HydrophobicContact CE1-CE1 4.23Å; F528-F533 HydrophobicContact CE1-CE2 4.47Å; F528-F533 AromaticContact CE1-CZ 3.57Å; F528-F533 HydrophobicContact CE1-CZ 3.57Å; F528-F533 AromaticContact CE2-CZ 3.91Å; F528-F533 HydrophobicContact CE2-CZ 3.91Å; F528-F533 HydrophobicContact CG-CE2 4.23Å; F528-F533 HydrophobicContact CG-CZ 4.04Å; F528-F533 HydrophobicContact CZ-CE1 4.34Å; F528-F533 AromaticContact CZ-CZ 3.65Å; F528-F533 HydrophobicContact CZ-CZ 3.65Å
529	N	97.9	Very high	98.1	Very high	137 Å²	137	39.1 Å²	39.1	73%	0.733	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	99	-178.3	-177.3	22.9	0	0	0	111.1	W531	N529-W531 PolarHBondContact O-N 3.44Å; N529-W531 VanDerWaalsContact O-N 3.13Å
530	D	97.3	Very high	98.1	Very high	63 Å²	63	39.8 Å²	39.8	34%	0.337	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.8	32.5	-176.2	-155.7	47.2	0	0	0	112.5	L491 T492 A532 K565	L491-D530 CarbonylContact O-C 3.5Å; L491-D530 WeakPolarHBondContact O-CA 3.44Å; L491-D530 PolarHBondContact O-N 3.39Å; L491-D530 VanDerWaalsContact O-N 3.08Å; T492-D530 PolarHBondContact OG1-N 3.45Å; T492-D530 VanDerWaalsContact OG1-N 3.12Å; D530-A532 PolarHBondContact O-N 2.96Å; D530-K565 IonicContact OD1-NZ 2.67Å; D530-K565 PolarHBondContact OD1-NZ 3.05Å; D530-K565 IonicContact OD2-NZ 3.8Å
531	W	98.7	Very high	98.2	Very high	41 Å²	41	36.8 Å²	36.8	16%	0.155	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126.5	-176.2	-172.4	-98.8	0	0	0	110.3	V263 D264 N304 C305 R490 L491 F528 N529 F533	V263-W531 HydrophobicContact CG1-CD2 3.74Å; V263-W531 HydrophobicContact CG1-CE3 3.66Å; V263-W531 HydrophobicContact CG1-CH2 3.81Å; V263-W531 HydrophobicContact CG1-CZ2 3.88Å; V263-W531 HydrophobicContact CG1-CZ3 3.69Å; D264-W531 WeakPolarHBondContact O-CH2 3.16Å; N304-W531 WeakPolarHBondContact O-CZ2 3.26Å; N304-W531 PolarHBondContact O-NE1 3.27Å; C305-W531 WeakPolarHBondContact O-CZ2 3.34Å; R490-W531 VanDerWaalsContact CA-O 3.32Å; R490-W531 WeakPolarHBondContact CA-O 3.13Å; L491-W531 PolarHBondContact N-O 3.47Å; L491-W531 PolarHBondContact O-N 2.78Å; F528-W531 HydrophobicContact CB-CB 3.93Å; F528-W531 HydrophobicContact CD1-CB 3.82Å; F528-W531 AromaticContact CD1-CG 3.83Å; F528-W531 HydrophobicContact CD1-CG 3.83Å; F528-W531 HydrophobicContact CE1-CG 4.45Å; F528-W531 HydrophobicContact CG-CB 4.28Å; N529-W531 PolarHBondContact O-N 3.44Å; N529-W531 VanDerWaalsContact O-N 3.13Å; W531-F533 HydrophobicContact CB-CE2 4.39Å; W531-F533 AromaticContact CD1-CD1 3.76Å; W531-F533 AromaticContact CD1-CD2 3.74Å; W531-F533 AromaticContact CD1-CE1 3.57Å; W531-F533 AromaticContact CD1-CE2 3.56Å; W531-F533 AromaticContact CD1-CG 3.84Å; W531-F533 AromaticContact CD1-CZ 3.47Å; W531-F533 VanDerWaalsContact CD1-CZ 3.47Å; W531-F533 HydrophobicContact CG-CE2 4.35Å; W531-F533 HydrophobicContact CG-CZ 4.41Å; W531-F533 AromaticContact NE1-CD1 3.96Å; W531-F533 AromaticContact NE1-CE1 3.82Å; W531-F533 PolarHBondContact O-N 2.96Å
532	A	98.4	Very high	98.2	Very high	19 Å²	19	36.3 Å²	36.3	16%	0.157	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	71.2	-169.4	0	0	0	0	0	112.6	N310 R490 D530 M534	N310-A532 PolarHBondContact ND2-O 3.25Å; R490-A532 HydrophobicContact CG-CB 3.8Å; D530-A532 PolarHBondContact O-N 2.96Å; A532-M534 PolarHBondContact O-N 3.47Å
533	F	98.8	Very high	98.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	124.6	174.5	-64.2	-80.8	0	0	0	111	N304 Q488 A489 L491 I503 L515 L516 F528 W531	N304-F533 HydrophobicContact CB-CD1 4Å; Q488-F533 CarbonylContact C-O 3.54Å; Q488-F533 WeakPolarHBondContact CA-O 3.34Å; A489-F533 PolarHBondContact N-O 2.84Å; A489-F533 PolarHBondContact O-N 2.88Å; L491-F533 HydrophobicContact CB-CD2 4.46Å; L491-F533 HydrophobicContact CB-CE2 4.35Å; L491-F533 HydrophobicContact CD1-CD2 3.83Å; L491-F533 HydrophobicContact CD1-CE2 3.89Å; L491-F533 HydrophobicContact CG-CD2 4.08Å; L491-F533 HydrophobicContact CG-CE2 4.33Å; I503-F533 HydrophobicContact CD1-CE2 4.12Å; I503-F533 HydrophobicContact CD1-CZ 4.13Å; L515-F533 HydrophobicContact CB-CB 3.91Å; L515-F533 HydrophobicContact CB-CD1 4.2Å; L515-F533 HydrophobicContact CB-CG 4.11Å; L515-F533 HydrophobicContact CD1-CB 3.96Å; L515-F533 HydrophobicContact CD2-CB 4.14Å; L515-F533 HydrophobicContact CG-CB 4.23Å; L515-F533 VanDerWaalsContact O-CD1 3.27Å; L515-F533 WeakPolarHBondContact O-CD1 3.49Å; L516-F533 HydrophobicContact CB-CE1 3.98Å; L516-F533 HydrophobicContact CB-CZ 4.41Å; L516-F533 HydrophobicContact CD1-CE1 4.39Å; L516-F533 HydrophobicContact CD2-CZ 4.42Å; F528-F533 HydrophobicContact CD1-CE2 4.25Å; F528-F533 AromaticContact CD1-CZ 3.78Å; F528-F533 HydrophobicContact CD1-CZ 3.78Å; F528-F533 HydrophobicContact CD2-CE2 4.41Å; F528-F533 HydrophobicContact CD2-CZ 4.1Å; F528-F533 HydrophobicContact CE1-CE1 4.23Å; F528-F533 HydrophobicContact CE1-CE2 4.47Å; F528-F533 AromaticContact CE1-CZ 3.57Å; F528-F533 HydrophobicContact CE1-CZ 3.57Å; F528-F533 AromaticContact CE2-CZ 3.91Å; F528-F533 HydrophobicContact CE2-CZ 3.91Å; F528-F533 HydrophobicContact CG-CE2 4.23Å; F528-F533 HydrophobicContact CG-CZ 4.04Å; F528-F533 HydrophobicContact CZ-CE1 4.34Å; F528-F533 AromaticContact CZ-CZ 3.65Å; F528-F533 HydrophobicContact CZ-CZ 3.65Å; W531-F533 HydrophobicContact CB-CE2 4.39Å; W531-F533 AromaticContact CD1-CD1 3.76Å; W531-F533 AromaticContact CD1-CD2 3.74Å; W531-F533 AromaticContact CD1-CE1 3.57Å; W531-F533 AromaticContact CD1-CE2 3.56Å; W531-F533 AromaticContact CD1-CG 3.84Å; W531-F533 AromaticContact CD1-CZ 3.47Å; W531-F533 VanDerWaalsContact CD1-CZ 3.47Å; W531-F533 HydrophobicContact CG-CE2 4.35Å; W531-F533 HydrophobicContact CG-CZ 4.41Å; W531-F533 AromaticContact NE1-CD1 3.96Å; W531-F533 AromaticContact NE1-CE1 3.82Å; W531-F533 PolarHBondContact O-N 2.96Å
534	M	98.8	Very high	98.2	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.9	-175.2	-170	-87.5	-76.4	0	0	111.5	N304 N310 I312 S334 H486 A487 Q488 A532 T536	N304-M534 PolarHBondContact ND2-O 2.98Å; N310-M534 VanDerWaalsContact O-CB 3.28Å; N310-M534 WeakPolarHBondContact O-CB 3.36Å; N310-M534 WeakPolarHBondContact O-CE 3.28Å; N310-M534 VanDerWaalsContact OD1-CB 3.25Å; N310-M534 WeakPolarHBondContact OD1-CB 3.23Å; N310-M534 PolarHBondContact OD1-N 3.15Å; I312-M534 HydrophobicContact CG2-CG 3.94Å; S334-M534 CarbonylContact C-O 3.58Å; S334-M534 PolarHBondContact OG-O 2.76Å; S334-M534 VanDerWaalsContact OG-O 3.14Å; H486-M534 HydrophobicContact CB-CG 4.39Å; H486-M534 HydrophobicContact CB-SD 4.43Å; A487-M534 CarbonylContact O-C 3.6Å; A487-M534 WeakPolarHBondContact O-CA 3.39Å; Q488-M534 HydrophobicContact CG-CB 4.2Å; Q488-M534 HydrophobicContact CG-CG 4.13Å; A532-M534 PolarHBondContact O-N 3.47Å; M534-T536 HydrophobicContact CE-CG2 4Å; M534-T536 HydrophobicContact SD-CG2 3.58Å; M534-T536 VanDerWaalsContact SD-CG2 3.58Å
535	T	98.9	Very high	98.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.4	169.4	177.8	0	0	0	0	111.8	S334 A487 L505 S513 L515 H537	S334-T535 CarbonylContact O-C 3.44Å; S334-T535 WeakPolarHBondContact O-CA 3.49Å; A487-T535 HydrophobicContact CB-CG2 3.95Å; A487-T535 PolarHBondContact N-O 2.93Å; A487-T535 PolarHBondContact O-N 2.88Å; L505-T535 HydrophobicContact CD2-CG2 4.43Å; S513-T535 WeakPolarHBondContact CB-OG1 3.35Å; S513-T535 PolarHBondContact OG-OG1 3.04Å; L515-T535 HydrophobicContact CD2-CG2 4.5Å; T535-H537 PolarHBondContact OG1-N 2.83Å; T535-H537 VanDerWaalsContact OG1-N 3.09Å
536	T	98.9	Very high	98.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.174	C	C	.	.			trans	-102.7	-3.6	170	68.6	0	0	0	0	112.3	S334 S335 T336 L337 Y426 M534 S538 W539	S334-T536 PolarHBondContact O-N 3.19Å; S334-T536 PolarHBondContact O-OG1 3.29Å; S335-T536 WeakPolarHBondContact O-CG2 3.31Å; T336-T536 PolarHBondContact O-OG1 3Å; L337-T536 HydrophobicContact CD2-CG2 3.71Å; L337-T536 HydrophobicContact CG-CG2 4.02Å; Y426-T536 PolarHBondContact OH-O 3.14Å; M534-T536 HydrophobicContact CE-CG2 4Å; M534-T536 HydrophobicContact SD-CG2 3.58Å; M534-T536 VanDerWaalsContact SD-CG2 3.58Å; T536-S538 VanDerWaalsContact C-N 3.27Å; T536-S538 PolarHBondContact O-N 2.84Å; T536-W539 WeakPolarHBondContact O-CB 3.45Å; T536-W539 PolarHBondContact O-N 3.36Å
537	H	98.9	Very high	98.4	Very high	3 Å²	3	25.1 Å²	25.1	1%	0.014	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.9	-169.4	-69.9	-155.9	0	0	0	113.2	S334 N414 V420 H422 Y426 T511 T535 W539	S334-H537 PolarHBondContact O-CD2 3.15Å; N414-H537 VanDerWaalsContact CB-O 3.23Å; N414-H537 WeakPolarHBondContact CB-O 3.31Å; N414-H537 PolarHBondContact ND2-O 3.08Å; V420-H537 HydrophobicContact CG1-CB 3.98Å; V420-H537 HydrophobicContact CG2-CB 4.24Å; V420-H537 VanDerWaalsContact CG2-CD2 3.42Å; V420-H537 WeakPolarHBondContact CG2-CD2 3.44Å; H422-H537 AromaticContact CD2-CE1 3.27Å; H422-H537 PolarHBondContact CD2-CE1 3.05Å; H422-H537 AromaticContact CD2-ND1 3.97Å; H422-H537 AromaticContact CD2-NE2 3.99Å; H422-H537 AromaticContact CE1-CE1 3.57Å; H422-H537 AromaticContact CE1-ND1 3.83Å; H422-H537 AromaticContact CG-CE1 3.53Å; H422-H537 AromaticContact ND1-CE1 3.71Å; H422-H537 AromaticContact NE2-CE1 3.29Å; H422-H537 PolarHBondContact NE2-CE1 2.86Å; H422-H537 VanDerWaalsContact NE2-CE1 3.29Å; H422-H537 AromaticContact NE2-ND1 3.53Å; Y426-H537 PolarHBondContact OH-O 3.43Å; T511-H537 HydrophobicContact CG2-CB 4.09Å; T535-H537 PolarHBondContact OG1-N 2.83Å; T535-H537 VanDerWaalsContact OG1-N 3.09Å; H537-W539 VanDerWaalsContact C-N 3.34Å
538	S	98.8	Very high	98.5	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.014	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	20	176.5	-73.1	0	0	0	0	113.5	S507 T536 D540 E541	S507-S538 WeakPolarHBondContact CB-OG 3.23Å; T536-S538 VanDerWaalsContact C-N 3.27Å; T536-S538 PolarHBondContact O-N 2.84Å; S538-D540 PolarHBondContact O-N 2.73Å; S538-E541 VanDerWaalsContact CB-OE2 3.27Å; S538-E541 WeakPolarHBondContact CB-OE2 3.24Å; S538-E541 VanDerWaalsContact O-CB 3.26Å; S538-E541 WeakPolarHBondContact O-CB 3.42Å; S538-E541 WeakPolarHBondContact O-CG 3.36Å; S538-E541 PolarHBondContact O-N 3.41Å; S538-E541 VanDerWaalsContact O-N 3.08Å; S538-E541 PolarHBondContact OG-OE2 3.48Å
539	W	98.8	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	137.5	178.1	-157.5	-72.4	0	0	0	111.6	L337 Q394 H395 V398 Y426 E485 H486 T536 H537 E541	L337-W539 HydrophobicContact CD2-CE3 4.33Å; L337-W539 HydrophobicContact CD2-CZ3 4.17Å; Q394-W539 HydrophobicContact CB-CH2 3.73Å; Q394-W539 HydrophobicContact CB-CZ2 4.2Å; H395-W539 AromaticContact CD2-CZ2 3.68Å; H395-W539 AromaticContact CE1-CE2 3.77Å; H395-W539 AromaticContact CE1-CZ2 3.87Å; H395-W539 AromaticContact CE1-NE1 3.12Å; H395-W539 PolarHBondContact CE1-NE1 3.47Å; H395-W539 AromaticContact CG-CZ2 3.91Å; H395-W539 AromaticContact CG-NE1 3.79Å; H395-W539 AromaticContact ND1-CE2 3.87Å; H395-W539 AromaticContact ND1-NE1 3.09Å; H395-W539 PolarHBondContact ND1-NE1 3.04Å; H395-W539 AromaticContact NE2-CZ2 3.64Å; H395-W539 AromaticContact NE2-NE1 3.82Å; V398-W539 HydrophobicContact CG1-CB 4.24Å; V398-W539 HydrophobicContact CG1-CG 4.07Å; V398-W539 HydrophobicContact CG2-CD2 3.92Å; V398-W539 HydrophobicContact CG2-CE3 4.21Å; V398-W539 HydrophobicContact CG2-CG 4.11Å; Y426-W539 WeakPolarHBondContact OH-CB 3.29Å; E485-W539 HydrophobicContact CB-CD2 4.36Å; E485-W539 HydrophobicContact CB-CE3 4.38Å; E485-W539 HydrophobicContact CB-CH2 3.92Å; E485-W539 HydrophobicContact CB-CZ2 3.9Å; E485-W539 HydrophobicContact CB-CZ3 4.18Å; E485-W539 HydrophobicContact CG-CH2 4.34Å; E485-W539 HydrophobicContact CG-CZ2 3.86Å; H486-W539 AromaticContact CD2-CZ3 3.79Å; H486-W539 AromaticContact CE1-CH2 3.69Å; H486-W539 AromaticContact CE1-CZ3 3.77Å; H486-W539 AromaticContact NE2-CH2 3.76Å; H486-W539 AromaticContact NE2-CZ3 3.48Å; H486-W539 WeakPolarHBondContact NE2-CZ3 3.3Å; T536-W539 WeakPolarHBondContact O-CB 3.45Å; T536-W539 PolarHBondContact O-N 3.36Å; H537-W539 VanDerWaalsContact C-N 3.34Å; W539-E541 PolarHBondContact O-N 2.9Å
540	D	98.5	Very high	98.6	Very high	17 Å²	17	20.1 Å²	20.1	9%	0.091	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	0.2	-171.4	-63.3	-34.2	0	0	0	116.7	V416 R418 R483 L484 S538	V416-D540 HydrophobicContact CG1-CB 4.16Å; V416-D540 WeakPolarHBondContact CG1-O 3.29Å; V416-D540 HydrophobicContact CG2-CB 4.24Å; R418-D540 IonicContact CZ-OD2 2.62Å; R418-D540 IonicContact NH1-OD2 3.42Å; R418-D540 PolarHBondContact NH1-OD2 3.31Å; R418-D540 IonicContact NH2-OD2 3.66Å; R418-D540 PolarHBondContact NH2-OD2 3.01Å; R483-D540 HydrophobicContact CG-CB 4.3Å; R483-D540 IonicContact CZ-OD1 3.38Å; R483-D540 IonicContact NE-OD1 2.81Å; R483-D540 PolarHBondContact NE-OD1 3Å; R483-D540 IonicContact NH2-OD1 3.52Å; R483-D540 PolarHBondContact NH2-OD1 3.4Å; R483-D540 IonicContact NH2-OD2 2.67Å; R483-D540 PolarHBondContact NH2-OD2 3.09Å; R483-D540 VanDerWaalsContact NH2-OD2 3.16Å; L484-D540 WeakPolarHBondContact O-CA 3.28Å; L484-D540 PolarHBondContact O-N 3.26Å; S538-D540 PolarHBondContact O-N 2.73Å
541	E	98.7	Very high	98.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.097	C	C	.	.			trans	-69.5	155.4	174.9	-65.6	-178.5	-173.3	0	0	112	N414 G415 V416 L484 S507 M509 T511 S538 W539 P543	N414-E541 WeakPolarHBondContact CB-OE1 3.34Å; G415-E541 WeakPolarHBondContact CA-OE1 3.33Å; G415-E541 PolarHBondContact N-OE1 2.92Å; V416-E541 HydrophobicContact CG1-CG 4.26Å; L484-E541 WeakPolarHBondContact CB-O 3.42Å; L484-E541 PolarHBondContact N-O 3.25Å; S507-E541 WeakPolarHBondContact CB-OE2 3.39Å; S507-E541 PolarHBondContact OG-OE2 2.59Å; M509-E541 HydrophobicContact CG-CB 4.41Å; M509-E541 HydrophobicContact SD-CB 3.62Å; M509-E541 HydrophobicContact SD-CG 3.69Å; T511-E541 VanDerWaalsContact CB-OE1 3.3Å; T511-E541 WeakPolarHBondContact CB-OE1 3.4Å; T511-E541 PolarHBondContact OG1-OE1 2.94Å; S538-E541 VanDerWaalsContact CB-OE2 3.27Å; S538-E541 WeakPolarHBondContact CB-OE2 3.24Å; S538-E541 VanDerWaalsContact O-CB 3.26Å; S538-E541 WeakPolarHBondContact O-CB 3.42Å; S538-E541 WeakPolarHBondContact O-CG 3.36Å; S538-E541 PolarHBondContact O-N 3.41Å; S538-E541 VanDerWaalsContact O-N 3.08Å; S538-E541 PolarHBondContact OG-OE2 3.48Å; W539-E541 PolarHBondContact O-N 2.9Å; E541-P543 WeakPolarHBondContact O-CD 3.46Å
542	D	98.1	Very high	98.6	Very high	71 Å²	71	18.1 Å²	18.1	38%	0.38	10%	0.103	S	C	.	.			trans	-80.2	116	164.3	-173.4	-19.1	0	0	0	108.6	T482 S544	T482-D542 WeakPolarHBondContact O-CA 3.37Å; D542-S544 VanDerWaalsContact C-N 3.26Å; D542-S544 PolarHBondContact O-N 2.04Å; D542-S544 VanDerWaalsContact OD1-CB 3.25Å; D542-S544 WeakPolarHBondContact OD1-CB 3.09Å; D542-S544 PolarHBondContact OD1-N 3.42Å
543	P	98.3	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.			trans	-83	2.2	-176.2	35	-36.1	0	0	0	113.8	V471 A473 I481 L484 E541 W547 L570	V471-P543 WeakPolarHBondContact CG2-O 3.28Å; A473-P543 HydrophobicContact CB-CB 4.49Å; A473-P543 HydrophobicContact CB-CG 3.83Å; I481-P543 HydrophobicContact CB-CG 4.31Å; I481-P543 HydrophobicContact CG2-CG 3.86Å; L484-P543 HydrophobicContact CB-CG 4.5Å; L484-P543 HydrophobicContact CD1-CB 4.07Å; L484-P543 HydrophobicContact CD1-CG 4.18Å; L484-P543 HydrophobicContact CD2-CB 4.42Å; E541-P543 WeakPolarHBondContact O-CD 3.46Å; P543-W547 HydrophobicContact CB-CZ2 3.84Å; P543-W547 PolarHBondContact O-NE1 3.35Å; P543-L570 HydrophobicContact CB-CD1 3.84Å; P543-L570 HydrophobicContact CB-CD2 4.25Å; P543-L570 HydrophobicContact CG-CD1 4.14Å
544	S	98.1	Very high	98.5	Very high	56 Å²	56	20.8 Å²	20.8	39%	0.392	12%	0.117	S	C	.	.			trans	-71.3	133.6	174	179.9	0	0	0	0	111.5	P508 D542	P508-S544 VanDerWaalsContact CB-O 3.31Å; P508-S544 WeakPolarHBondContact CB-O 3.39Å; D542-S544 VanDerWaalsContact C-N 3.26Å; D542-S544 PolarHBondContact O-N 2.04Å; D542-S544 VanDerWaalsContact OD1-CB 3.25Å; D542-S544 WeakPolarHBondContact OD1-CB 3.09Å; D542-S544 PolarHBondContact OD1-N 3.42Å
545	G	98.2	Very high	98.3	Very high	19 Å²	19	22 Å²	22	20%	0.196	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.9	-158.9	179.7	0	0	0	0	0	113.5	T470 V471	T470-G545 CarbonylContact C-O 3.44Å; T470-G545 WeakPolarHBondContact CA-O 3.39Å; V471-G545 PolarHBondContact N-O 3.07Å; V471-G545 PolarHBondContact O-N 3.12Å
546	E	98.7	Very high	98	Very high	80 Å²	80	30.2 Å²	30.2	37%	0.374	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.9	-176.8	-175.6	175.7	-105.3	0	0	111.9	R468 P508 V548	R468-E546 HydrophobicContact CB-CG 4.43Å; R468-E546 IonicContact CZ-OE2 2.66Å; R468-E546 IonicContact NH1-OE2 3.75Å; R468-E546 PolarHBondContact NH1-OE2 3.15Å; P508-E546 VanDerWaalsContact CA-O 3.28Å; P508-E546 WeakPolarHBondContact CA-O 3.46Å; E546-V548 HydrophobicContact CG-CG2 4.21Å
547	W	98.9	Very high	97.6	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142.9	165.5	-72.2	77.5	0	0	0	110.1	R468 K469 V471 L484 A487 L505 V506 P508 P543 L568 L570	R468-W547 WeakPolarHBondContact CA-O 3.17Å; K469-W547 PolarHBondContact N-O 3.18Å; K469-W547 PolarHBondContact O-N 2.91Å; V471-W547 VanDerWaalsContact CG2-CD1 3.5Å; L484-W547 HydrophobicContact CD2-CH2 4.09Å; L484-W547 HydrophobicContact CD2-CZ2 4.35Å; A487-W547 HydrophobicContact CB-CH2 4.19Å; L505-W547 HydrophobicContact CD1-CE3 3.83Å; L505-W547 HydrophobicContact CD1-CZ3 4.43Å; L505-W547 HydrophobicContact CD2-CE3 3.86Å; L505-W547 HydrophobicContact CD2-CZ3 3.63Å; L505-W547 HydrophobicContact CG-CE3 3.71Å; L505-W547 HydrophobicContact CG-CZ3 3.84Å; V506-W547 WeakPolarHBondContact O-CA 3.41Å; P508-W547 VanDerWaalsContact CD-CE2 3.45Å; P508-W547 HydrophobicContact CG-CG 4.41Å; P543-W547 HydrophobicContact CB-CZ2 3.84Å; P543-W547 PolarHBondContact O-NE1 3.35Å; W547-L568 HydrophobicContact CB-CD2 4.27Å; W547-L568 HydrophobicContact CD2-CD1 4.47Å; W547-L568 HydrophobicContact CD2-CD2 3.79Å; W547-L568 HydrophobicContact CE3-CD1 4.36Å; W547-L568 HydrophobicContact CE3-CD2 4.46Å; W547-L568 HydrophobicContact CG-CD2 3.69Å; W547-L570 HydrophobicContact CH2-CD2 4.28Å; W547-L570 HydrophobicContact CZ2-CD2 3.81Å
548	V	98.9	Very high	97.4	Very high	11 Å²	11	39.7 Å²	39.7	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.8	178.4	-171	0	0	0	0	109.8	E466 V467 R468 L505 V506 E546 E550	E466-V548 HydrophobicContact CG-CG1 3.67Å; V467-V548 WeakPolarHBondContact O-CA 3.42Å; R468-V548 HydrophobicContact CG-CG1 4.1Å; R468-V548 HydrophobicContact CG-CG2 4.08Å; L505-V548 CarbonylContact C-O 3.6Å; L505-V548 WeakPolarHBondContact CA-O 3.5Å; V506-V548 HydrophobicContact CB-CB 4.11Å; V506-V548 HydrophobicContact CG2-CB 4.41Å; V506-V548 PolarHBondContact N-O 3.15Å; V506-V548 PolarHBondContact O-N 3.33Å; V506-V548 VanDerWaalsContact O-N 3.08Å; E546-V548 HydrophobicContact CG-CG2 4.21Å; V548-E550 HydrophobicContact CG1-CG 4.27Å
549	L	98.9	Very high	97.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.7	168.6	179.6	74.3	0	0	0	108.9	E466 V467 L491 I503 H504 L505 L515 I551 L563 F566	E466-L549 CarbonylContact C-O 3.44Å; E466-L549 WeakPolarHBondContact CA-O 3.33Å; V467-L549 HydrophobicContact CB-CB 4.35Å; V467-L549 PolarHBondContact N-O 3.13Å; V467-L549 PolarHBondContact O-N 2.9Å; L491-L549 HydrophobicContact CD1-CD1 4.37Å; L491-L549 HydrophobicContact CD1-CD2 4.45Å; L491-L549 HydrophobicContact CD2-CD2 3.79Å; I503-L549 HydrophobicContact CG2-CD1 3.75Å; H504-L549 WeakPolarHBondContact O-CA 3.45Å; L505-L549 HydrophobicContact CD1-CB 4.46Å; L505-L549 HydrophobicContact CD1-CD1 4.44Å; L515-L549 HydrophobicContact CD1-CD1 4.25Å; L549-I551 HydrophobicContact CD2-CD1 4.18Å; L549-I551 HydrophobicContact CD2-CG1 4.36Å; L549-I551 HydrophobicContact CG-CG1 4.29Å; L549-L563 HydrophobicContact CD2-CD2 4.08Å; L549-F566 HydrophobicContact CB-CD1 4.17Å; L549-F566 HydrophobicContact CB-CE1 3.57Å; L549-F566 HydrophobicContact CB-CZ 4.14Å; L549-F566 HydrophobicContact CD2-CB 4.5Å; L549-F566 HydrophobicContact CD2-CD1 3.51Å; L549-F566 HydrophobicContact CD2-CD2 4.48Å; L549-F566 HydrophobicContact CD2-CE1 3.72Å; L549-F566 HydrophobicContact CD2-CG 3.93Å; L549-F566 HydrophobicContact CD2-CZ 4.33Å; L549-F566 HydrophobicContact CG-CD1 4.44Å; L549-F566 HydrophobicContact CG-CE1 4.18Å
550	E	98.8	Very high	97.1	Very high	28 Å²	28	47.8 Å²	47.8	13%	0.131	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	174.3	-48.1	-175.8	125.4	0	0	108.9	R464 I503 H504 R512 V548	R464-E550 IonicContact NH2-OE1 3.67Å; R464-E550 PolarHBondContact NH2-OE1 2.89Å; I503-E550 CarbonylContact C-O 3.58Å; I503-E550 VanDerWaalsContact CA-O 3.31Å; I503-E550 WeakPolarHBondContact CA-O 3.49Å; H504-E550 HydrophobicContact CB-CB 4.22Å; H504-E550 PolarHBondContact N-O 3.09Å; H504-E550 PolarHBondContact O-N 3.16Å; R512-E550 IonicContact CZ-OE2 3.65Å; R512-E550 IonicContact NE-OE2 2.71Å; R512-E550 PolarHBondContact NE-OE2 3.27Å; R512-E550 VanDerWaalsContact NE-OE2 3.13Å; R512-E550 IonicContact NH2-OE2 2.69Å; R512-E550 PolarHBondContact NH2-OE2 3.17Å; V548-E550 HydrophobicContact CG1-CG 4.27Å
551	I	98.8	Very high	97	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.8	170.7	-56.5	-179	0	0	0	106.7	I461 R464 L465 L493 L501 I503 L549 L563	I461-I551 HydrophobicContact CD1-CG2 4.48Å; I461-I551 HydrophobicContact CG2-CB 4.45Å; I461-I551 HydrophobicContact CG2-CG2 3.69Å; R464-I551 CarbonylContact C-O 3.54Å; R464-I551 WeakPolarHBondContact CA-O 3.33Å; L465-I551 HydrophobicContact CB-CB 4.44Å; L465-I551 HydrophobicContact CD2-CD1 4.45Å; L465-I551 PolarHBondContact N-O 3.25Å; L465-I551 PolarHBondContact O-N 3.36Å; L493-I551 HydrophobicContact CD2-CD1 4.29Å; L501-I551 HydrophobicContact CD2-CG2 3.8Å; I503-I551 HydrophobicContact CG1-CG1 4.34Å; I503-I551 HydrophobicContact CG1-CG2 4.39Å; I503-I551 HydrophobicContact CG2-CG1 4.28Å; L549-I551 HydrophobicContact CD2-CD1 4.18Å; L549-I551 HydrophobicContact CD2-CG1 4.36Å; L549-I551 HydrophobicContact CG-CG1 4.29Å; I551-L563 HydrophobicContact CD1-CD1 4.18Å; I551-L563 HydrophobicContact CD1-CD2 4.07Å; I551-L563 HydrophobicContact CD1-CG 4.49Å
552	E	97.5	Very high	97	Very high	61 Å²	61	49.4 Å²	49.4	29%	0.285	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.8	-178.3	68	-175.3	157.8	0	0	112.2	R464 L501 A502 H504 T554	R464-E552 HydrophobicContact CG-CB 4.37Å; L501-E552 WeakPolarHBondContact CA-O 3.44Å; A502-E552 HydrophobicContact CB-CG 3.83Å; A502-E552 PolarHBondContact N-O 2.93Å; A502-E552 PolarHBondContact O-N 3.1Å; H504-E552 IonicContact CE1-OE1 2.74Å; H504-E552 PolarHBondContact CE1-OE1 3.31Å; H504-E552 VanDerWaalsContact CE1-OE1 3.28Å; H504-E552 IonicContact ND1-OE1 2.93Å; E552-T554 HydrophobicContact CG-CG2 4.34Å
553	N	97.6	Very high	97.1	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.1	170.4	176.9	15.3	0	0	0	109.3	K463 Y495 D500 S555 A557 N559	K463-N553 HydrophobicContact CD-CB 4.16Å; K463-N553 PolarHBondContact NZ-O 2.97Å; K463-N553 PolarHBondContact O-N 3.09Å; Y495-N553 VanDerWaalsContact OH-CB 3.29Å; Y495-N553 WeakPolarHBondContact OH-CB 3.13Å; D500-N553 CarbonylContact O-C 3.59Å; D500-N553 WeakPolarHBondContact O-CA 3.33Å; N553-S555 PolarHBondContact ND2-O 2.89Å; N553-S555 PolarHBondContact O-N 2.79Å; N553-S555 WeakPolarHBondContact OD1-CB 3.34Å; N553-S555 PolarHBondContact OD1-N 2.88Å; N553-S555 VanDerWaalsContact OD1-N 3.1Å; N553-S555 PolarHBondContact OD1-O 2.96Å; N553-A557 PolarHBondContact ND2-O 3.45Å; N553-N559 PolarHBondContact OD1-ND2 2.65Å; N553-N559 VanDerWaalsContact OD1-ND2 3.16Å
554	T	96.9	Very high	97.1	Very high	68 Å²	68	49.3 Å²	49.3	42%	0.417	27%	0.268	S	S	.	.			trans	-77.6	-10.8	-178.9	61.7	0	0	0	0	113.1	D500 A502 A518 E552	D500-T554 PolarHBondContact O-N 2.95Å; D500-T554 PolarHBondContact O-OG1 3.3Å; A502-T554 HydrophobicContact CB-CG2 3.63Å; A518-T554 HydrophobicContact CB-CG2 4.1Å; A518-T554 WeakPolarHBondContact CB-OG1 3.37Å; E552-T554 HydrophobicContact CG-CG2 4.34Å
555	S	94.8	Very high	97.1	Very high	29 Å²	29	50.4 Å²	50.4	20%	0.203	27%	0.265	C	S	.	.	S	Bend	trans	-92.9	154.2	178.4	179	0	0	0	0	112.2	K463 D500 N553 A557	K463-S555 PolarHBondContact NZ-O 3.23Å; D500-S555 VanDerWaalsContact CG-CB 3.4Å; D500-S555 WeakPolarHBondContact OD2-CB 3.23Å; N553-S555 PolarHBondContact ND2-O 2.89Å; N553-S555 PolarHBondContact O-N 2.79Å; N553-S555 WeakPolarHBondContact OD1-CB 3.34Å; N553-S555 PolarHBondContact OD1-N 2.88Å; N553-S555 VanDerWaalsContact OD1-N 3.1Å; N553-S555 PolarHBondContact OD1-O 2.96Å; S555-A557 PolarHBondContact O-N 2.91Å; S555-A557 WeakPolarHBondContact OG-CB 3.01Å; S555-A557 PolarHBondContact OG-N 3.38Å; S555-A557 VanDerWaalsContact OG-N 3.1Å
556	E	93.2	Very high	97.1	Very high	174 Å²	174	49.7 Å²	49.7	81%	0.813	26%	0.257	S	S	*	.	S	Bend	trans	-74.1	-9.8	168.8	-63.2	-59.1	152.5	0	0	112.4
557	A	91.1	Very high	97.1	Very high	42 Å²	42	46.2 Å²	46.2	35%	0.347	24%	0.241	S	C	.	.	S	Bend	trans	-65	141.9	176.1	0	0	0	0	0	111.5	N553 S555 N559	N553-A557 PolarHBondContact ND2-O 3.45Å; S555-A557 PolarHBondContact O-N 2.91Å; S555-A557 WeakPolarHBondContact OG-CB 3.01Å; S555-A557 PolarHBondContact OG-N 3.38Å; S555-A557 VanDerWaalsContact OG-N 3.1Å; A557-N559 PolarHBondContact O-N 3.18Å
558	N	93.1	Very high	97.1	Very high	160 Å²	160	46 Å²	46	86%	0.856	24%	0.24	S	C	*	.			trans	-76.3	67.6	173.3	-73.4	-16.6	0	0	0	110.8
559	N	95.8	Very high	97.1	Very high	16 Å²	16	45.6 Å²	45.6	9%	0.086	24%	0.238	C	C	.	.			trans	-71.5	155.5	174.2	-68.3	-32.9	0	0	0	110.9	Y495 N496 D500 N553 A557	Y495-N559 HydrophobicContact CE1-CB 3.61Å; Y495-N559 HydrophobicContact CE2-CB 4.43Å; Y495-N559 VanDerWaalsContact CZ-CB 3.5Å; Y495-N559 WeakPolarHBondContact OH-CB 3.39Å; N496-N559 PolarHBondContact ND2-OD1 2.88Å; N496-N559 WeakPolarHBondContact OD1-CA 3.27Å; N496-N559 WeakPolarHBondContact OD1-CB 3.49Å; N496-N559 PolarHBondContact OD1-OD1 3.29Å; D500-N559 VanDerWaalsContact CB-ND2 3.33Å; D500-N559 WeakPolarHBondContact CB-ND2 3.04Å; D500-N559 PolarHBondContact OD2-ND2 3.48Å; N553-N559 PolarHBondContact OD1-ND2 2.65Å; N553-N559 VanDerWaalsContact OD1-ND2 3.16Å; A557-N559 PolarHBondContact O-N 3.18Å
560	Y	96.2	Very high	97.1	Very high	157 Å²	157	45.6 Å²	45.6	62%	0.616	24%	0.238	S	C	*	.			trans	-145.8	151.7	-176	57.2	-91.3	0	0	0	110.8	Y495 N496	Y495-Y560 WeakPolarHBondContact CD2-O 3.28Å; N496-Y560 HydrophobicContact CB-CD1 4.41Å; N496-Y560 HydrophobicContact CB-CD2 4.47Å; N496-Y560 HydrophobicContact CB-CE1 4.01Å; N496-Y560 HydrophobicContact CB-CE2 4.07Å; N496-Y560 PolarHBondContact N-O 3.14Å; N496-Y560 VanDerWaalsContact N-O 3.17Å; N496-Y560 PolarHBondContact OD1-N 2.69Å; N496-Y560 PolarHBondContact OD1-O 3.11Å
561	G	97.3	Very high	97.1	Very high	7 Å²	7	44.6 Å²	44.6	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	174.7	178.7	0	0	0	0	0	112.7	I461 S494	I461-G561 PolarHBondContact N-O 3.01Å; S494-G561 CarbonylContact O-C 3.56Å; S494-G561 WeakPolarHBondContact O-CA 3.39Å
562	T	98.5	Very high	97.1	Very high	45 Å²	45	44.5 Å²	44.5	28%	0.276	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.6	-171.3	-52.3	0	0	0	0	110.2	P458 K459 L493 S494 T564	P458-T562 HydrophobicContact CB-CG2 3.75Å; K459-T562 WeakPolarHBondContact O-CA 3.11Å; K459-T562 WeakPolarHBondContact O-CG2 3.5Å; L493-T562 VanDerWaalsContact CA-O 3.26Å; L493-T562 WeakPolarHBondContact CA-O 3.47Å; S494-T562 PolarHBondContact N-O 3.07Å; S494-T562 PolarHBondContact O-N 3.11Å; S494-T562 PolarHBondContact OG-N 3.15Å; T562-T564 HydrophobicContact CG2-CG2 4.2Å
563	L	98.8	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116	167.6	179.1	69.8	0	0	0	108.4	L455 P458 K459 I461 L465 V467 L491 L493 L549 I551 K565 F566	L455-L563 HydrophobicContact CD1-CD2 3.84Å; L455-L563 HydrophobicContact CD1-CG 3.72Å; L455-L563 HydrophobicContact CD2-CD2 4.35Å; P458-L563 CarbonylContact C-O 3.6Å; P458-L563 WeakPolarHBondContact CA-O 3.24Å; K459-L563 PolarHBondContact N-O 3.42Å; K459-L563 PolarHBondContact O-N 3.19Å; I461-L563 HydrophobicContact CD1-CB 4.46Å; I461-L563 HydrophobicContact CG1-CB 4.3Å; L465-L563 HydrophobicContact CD2-CB 3.93Å; L465-L563 HydrophobicContact CD2-CD2 3.98Å; V467-L563 HydrophobicContact CG2-CD2 4.24Å; L491-L563 HydrophobicContact CB-CD1 4.39Å; L491-L563 HydrophobicContact CD2-CD1 4.26Å; L493-L563 HydrophobicContact CB-CD1 4.01Å; L493-L563 HydrophobicContact CD2-CD1 4.34Å; L549-L563 HydrophobicContact CD2-CD2 4.08Å; I551-L563 HydrophobicContact CD1-CD1 4.18Å; I551-L563 HydrophobicContact CD1-CD2 4.07Å; I551-L563 HydrophobicContact CD1-CG 4.49Å; L563-K565 WeakPolarHBondContact CD1-O 3.3Å; L563-F566 HydrophobicContact CD2-CB 4.38Å
564	T	98.4	Very high	96.6	Very high	69 Å²	69	42.8 Å²	42.8	42%	0.423	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-27.9	-175.8	57.5	0	0	0	0	112.8	P458 T492 T562	P458-T564 HydrophobicContact CB-CG2 4.43Å; T492-T564 WeakPolarHBondContact CG2-OG1 3.49Å; T492-T564 PolarHBondContact O-N 2.97Å; T492-T564 PolarHBondContact O-OG1 2.64Å; T492-T564 VanDerWaalsContact O-OG1 3.05Å; T562-T564 HydrophobicContact CG2-CG2 4.2Å
565	K	98.5	Very high	95.7	Very high	78 Å²	78	43.8 Å²	43.8	34%	0.339	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.4	177	-166.4	-175.5	174.4	-161.2	0	110.6	L491 T492 D530 L563 T567	L491-K565 WeakPolarHBondContact CA-O 3.39Å; T492-K565 PolarHBondContact N-O 2.88Å; T492-K565 PolarHBondContact O-N 3.15Å; T492-K565 VanDerWaalsContact O-N 3.17Å; D530-K565 IonicContact OD1-NZ 2.67Å; D530-K565 PolarHBondContact OD1-NZ 3.05Å; D530-K565 IonicContact OD2-NZ 3.8Å; L563-K565 WeakPolarHBondContact CD1-O 3.3Å; K565-T567 VanDerWaalsContact CE-OG1 3.31Å; K565-T567 WeakPolarHBondContact CE-OG1 3.43Å
566	F	98.6	Very high	94	Very high	5 Å²	5	51 Å²	51	2%	0.022	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	111.4	164.8	168.9	-157.6	0	0	0	107.9	I454 L455 V467 A489 R490 L491 L505 L549 L563 L568	I454-F566 HydrophobicContact CB-CB 4.34Å; I454-F566 HydrophobicContact CB-CD1 3.65Å; I454-F566 HydrophobicContact CB-CE1 4.05Å; I454-F566 HydrophobicContact CB-CG 3.97Å; I454-F566 WeakPolarHBondContact CB-O 3.49Å; I454-F566 HydrophobicContact CG1-CD1 3.8Å; I454-F566 HydrophobicContact CG1-CD2 4.18Å; I454-F566 HydrophobicContact CG1-CE1 3.78Å; I454-F566 HydrophobicContact CG1-CE2 4.13Å; I454-F566 HydrophobicContact CG1-CG 3.99Å; I454-F566 HydrophobicContact CG1-CZ 3.95Å; I454-F566 HydrophobicContact CG2-CD1 3.66Å; I454-F566 HydrophobicContact CG2-CE1 3.86Å; I454-F566 HydrophobicContact CG2-CG 4.47Å; I454-F566 PolarHBondContact N-O 3.5Å; L455-F566 HydrophobicContact CD1-CB 3.98Å; L455-F566 HydrophobicContact CG-CB 3.95Å; V467-F566 HydrophobicContact CG1-CD1 4.37Å; A489-F566 HydrophobicContact CB-CD2 4.27Å; A489-F566 HydrophobicContact CB-CE2 3.68Å; A489-F566 HydrophobicContact CB-CZ 4.43Å; R490-F566 WeakPolarHBondContact O-CA 3.47Å; L491-F566 HydrophobicContact CD2-CB 3.8Å; L491-F566 HydrophobicContact CD2-CD2 3.54Å; L491-F566 HydrophobicContact CD2-CE2 4.33Å; L491-F566 HydrophobicContact CD2-CG 3.75Å; L505-F566 HydrophobicContact CD1-CZ 4.19Å; L549-F566 HydrophobicContact CB-CD1 4.17Å; L549-F566 HydrophobicContact CB-CE1 3.57Å; L549-F566 HydrophobicContact CB-CZ 4.14Å; L549-F566 HydrophobicContact CD2-CB 4.5Å; L549-F566 HydrophobicContact CD2-CD1 3.51Å; L549-F566 HydrophobicContact CD2-CD2 4.48Å; L549-F566 HydrophobicContact CD2-CE1 3.72Å; L549-F566 HydrophobicContact CD2-CG 3.93Å; L549-F566 HydrophobicContact CD2-CZ 4.33Å; L549-F566 HydrophobicContact CG-CD1 4.44Å; L549-F566 HydrophobicContact CG-CE1 4.18Å; L563-F566 HydrophobicContact CD2-CB 4.38Å; F566-L568 HydrophobicContact CE2-CB 4.01Å; F566-L568 HydrophobicContact CZ-CB 4.29Å
567	T	98.8	Very high	91.7	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.043	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	171.1	-54.5	0	0	0	0	108.7	I451 I452 D453 R490 K565 V569	I451-T567 HydrophobicContact CG2-CG2 3.55Å; I452-T567 CarbonylContact O-C 3.45Å; I452-T567 WeakPolarHBondContact O-CA 3.46Å; D453-T567 WeakPolarHBondContact OD1-CB 3.39Å; D453-T567 WeakPolarHBondContact OD1-CG2 3.43Å; D453-T567 PolarHBondContact OD1-OG1 3.47Å; R490-T567 PolarHBondContact N-O 3.03Å; R490-T567 PolarHBondContact O-N 3.13Å; K565-T567 VanDerWaalsContact CE-OG1 3.31Å; K565-T567 WeakPolarHBondContact CE-OG1 3.43Å; T567-V569 HydrophobicContact CG2-CG2 3.98Å
568	L	98.8	Very high	89.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.7	170.7	-179.3	65.2	0	0	0	108.3	I452 I454 V471 Q488 L505 W547 F566 L570	I452-L568 HydrophobicContact CB-CB 4.4Å; I452-L568 PolarHBondContact N-O 2.87Å; I452-L568 PolarHBondContact O-N 3.06Å; I454-L568 HydrophobicContact CD1-CB 3.91Å; I454-L568 HydrophobicContact CD1-CD2 4.48Å; I454-L568 HydrophobicContact CG1-CB 4.03Å; V471-L568 HydrophobicContact CG1-CD2 4.49Å; Q488-L568 WeakPolarHBondContact O-CA 3.39Å; L505-L568 HydrophobicContact CD2-CD1 4.27Å; W547-L568 HydrophobicContact CB-CD2 4.27Å; W547-L568 HydrophobicContact CD2-CD1 4.47Å; W547-L568 HydrophobicContact CD2-CD2 3.79Å; W547-L568 HydrophobicContact CE3-CD1 4.36Å; W547-L568 HydrophobicContact CE3-CD2 4.46Å; W547-L568 HydrophobicContact CG-CD2 3.69Å; F566-L568 HydrophobicContact CE2-CB 4.01Å; F566-L568 HydrophobicContact CZ-CB 4.29Å; L568-L570 HydrophobicContact CD1-CD2 4.03Å; L568-L570 HydrophobicContact CD2-CD2 4.12Å; L568-L570 HydrophobicContact CD2-CG 4.47Å; L568-L570 HydrophobicContact CG-CD2 3.89Å; L568-L570 HydrophobicContact CG-CG 4.22Å
569	V	98.9	Very high	86.4	Confident	3 Å²	3	47 Å²	47	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.8	177.2	-172.2	0	0	0	0	108.7	K449 C450 I451 A487 Q488 R490 T567 Y571	K449-V569 HydrophobicContact CD-CG1 4.42Å; K449-V569 HydrophobicContact CG-CG1 3.98Å; C450-V569 WeakPolarHBondContact O-CA 3.07Å; I451-V569 HydrophobicContact CG1-CG1 4.32Å; A487-V569 CarbonylContact C-O 3.45Å; A487-V569 WeakPolarHBondContact CA-O 3.27Å; Q488-V569 HydrophobicContact CB-CB 4.22Å; Q488-V569 PolarHBondContact N-O 2.87Å; Q488-V569 PolarHBondContact O-N 3.36Å; R490-V569 HydrophobicContact CG-CG2 4.2Å; T567-V569 HydrophobicContact CG2-CG2 3.98Å; V569-Y571 HydrophobicContact CB-CE2 4.25Å; V569-Y571 HydrophobicContact CG1-CD2 4.23Å; V569-Y571 HydrophobicContact CG1-CE2 3.48Å; V569-Y571 VanDerWaalsContact CG1-CE2 3.48Å
570	L	98.9	Very high	83.5	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	-179	-54.5	172.8	0	0	0	108.9	K449 C450 I452 A473 I481 L484 A487 P543 W547 L568	K449-L570 WeakPolarHBondContact CA-O 3.48Å; C450-L570 HydrophobicContact CB-CB 4.3Å; C450-L570 PolarHBondContact N-O 3.3Å; C450-L570 PolarHBondContact O-N 2.61Å; I452-L570 HydrophobicContact CD1-CD1 3.94Å; A473-L570 HydrophobicContact CB-CD1 4.21Å; I481-L570 HydrophobicContact CD1-CB 3.92Å; I481-L570 WeakPolarHBondContact CD1-O 3.25Å; L484-L570 HydrophobicContact CD1-CB 3.83Å; L484-L570 HydrophobicContact CD1-CD2 3.82Å; L484-L570 HydrophobicContact CD1-CG 4.37Å; A487-L570 HydrophobicContact CB-CD2 4.09Å; P543-L570 HydrophobicContact CB-CD1 3.84Å; P543-L570 HydrophobicContact CB-CD2 4.25Å; P543-L570 HydrophobicContact CG-CD1 4.14Å; W547-L570 HydrophobicContact CH2-CD2 4.28Å; W547-L570 HydrophobicContact CZ2-CD2 3.81Å; L568-L570 HydrophobicContact CD1-CD2 4.03Å; L568-L570 HydrophobicContact CD2-CD2 4.12Å; L568-L570 HydrophobicContact CD2-CG 4.47Å; L568-L570 HydrophobicContact CG-CD2 3.89Å; L568-L570 HydrophobicContact CG-CG 4.22Å
571	Y	98.8	Very high	80.6	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142	172.4	-62.4	-91.9	0	0	0	109.3	I312 Q447 R448 K449 L484 E485 H486 Q488 V569	I312-Y571 HydrophobicContact CD1-CD1 3.95Å; I312-Y571 HydrophobicContact CD1-CD2 4.34Å; I312-Y571 HydrophobicContact CD1-CE1 3.7Å; I312-Y571 HydrophobicContact CD1-CE2 4.12Å; I312-Y571 HydrophobicContact CD1-CG 4.26Å; Q447-Y571 HydrophobicContact CG-CD1 4.47Å; R448-Y571 WeakPolarHBondContact O-CA 3.48Å; K449-Y571 HydrophobicContact CB-CD1 4.21Å; K449-Y571 HydrophobicContact CB-CE1 4.13Å; K449-Y571 HydrophobicContact CD-CE1 3.68Å; K449-Y571 VanDerWaalsContact CE-OH 3.24Å; K449-Y571 WeakPolarHBondContact CE-OH 3.4Å; K449-Y571 HydrophobicContact CG-CD1 4.15Å; K449-Y571 HydrophobicContact CG-CE1 3.69Å; K449-Y571 PolarHBondContact NZ-OH 3.21Å; L484-Y571 WeakPolarHBondContact CD1-O 3.29Å; E485-Y571 PolarHBondContact N-O 2.76Å; H486-Y571 HydrophobicContact CB-CD2 4.14Å; H486-Y571 PolarHBondContact O-N 2.83Å; Q488-Y571 HydrophobicContact CG-CE2 4.22Å; V569-Y571 HydrophobicContact CB-CE2 4.25Å; V569-Y571 HydrophobicContact CG1-CD2 4.23Å; V569-Y571 HydrophobicContact CG1-CE2 3.48Å; V569-Y571 VanDerWaalsContact CG1-CE2 3.48Å
572	G	97.9	Very high	77.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-151.8	174.8	0	0	0	0	0	113.9	R448 R483	R448-G572 PolarHBondContact N-O 3.43Å; R448-G572 PolarHBondContact O-N 3.46Å; R448-G572 VanDerWaalsContact O-N 3.13Å; R483-G572 WeakPolarHBondContact O-CA 3.22Å
573	T	96.5	Very high	75.1	Confident	18 Å²	18	61.1 Å²	61.1	11%	0.11	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	168.1	-178.4	59	0	0	0	0	110.9	T482 R483	T482-T573 PolarHBondContact N-O 2.96Å; R483-T573 PolarHBondContact N-O 3.42Å; R483-T573 PolarHBondContact O-N 3.35Å
574	A	89.1	Confident	72.7	Confident	14 Å²	14	65.2 Å²	65.2	12%	0.116	38%	0.377	C	S	.	.			trans	-132.9	157.4	160.5	0	0	0	0	0	107.4	H480 T482 E576	H480-A574 WeakPolarHBondContact O-CB 3.47Å; T482-A574 HydrophobicContact CG2-CB 4.29Å; A574-E576 PolarHBondContact O-N 2.9Å
575	P	77.4	Confident	70.6	Confident	89 Å²	89	65.8 Å²	65.8	58%	0.578	38%	0.384	S	S	*	.			trans	-49.3	136.5	170	-23.6	30.7	0	0	0	110.2	T482 G577	T482-P575 WeakPolarHBondContact OG1-CD 3.47Å; P575-G577 PolarHBondContact O-N 3.47Å
576	E	59.4	Low	68.9	Low	181 Å²	181	62 Å²	62	85%	0.846	37%	0.367	S	S	*	.	S	Bend	trans	-66.4	91.5	161.9	-75.4	-165.5	165.9	0	0	107.4	A574	A574-E576 PolarHBondContact O-N 2.9Å
577	G	45.9	Very low	67.4	Low	52 Å²	52	62.7 Å²	62.7	54%	0.536	37%	0.372	S	S	.	.			trans	143.1	80.2	-176.1	0	0	0	0	0	112.7	P575	P575-G577 PolarHBondContact O-N 3.47Å
578	L	35.6	Very low	66.2	Low	134 Å²	134	69.7 Å²	69.7	70%	0.702	40%	0.402	S	S	*	.				-115.4	135.1	124.6	-80.6	170.8	0	0	0	106.7	I580	L578-I580 PolarHBondContact O-N 3.41Å
579	P	37.1	Very low	64.7	Low	106 Å²	106	72.2 Å²	72.2	69%	0.688	42%	0.418	S	S	*	.			trans	-53.9	128.4	168.7	-7.6	20.4	0	0	0	106
580	I	35.2	Very low	63.3	Low	141 Å²	141	77 Å²	77	72%	0.723	44%	0.442	S	S	*	.			trans	-44.1	121.6	148.1	-60.6	164.3	0	0	0	104.1	L578	L578-I580 PolarHBondContact O-N 3.41Å
581	P	35.1	Very low	61.6	Low	102 Å²	102	78.8 Å²	78.8	66%	0.662	45%	0.454	S	S	*	.			trans	-49	126.6	173.7	19.4	-29.4	0	0	0	105.6	E583	P581-E583 VanDerWaalsContact C-N 3.29Å; P581-E583 PolarHBondContact O-N 2.78Å
582	P	39.5	Very low	59.5	Low	101 Å²	101	85 Å²	85	66%	0.656	50%	0.498	S	S	*	.			trans	-61.8	99.9	-168.9	23.8	-31.8	0	0	0	107.4	S584	P582-S584 PolarHBondContact O-N 3.5Å
583	E	40.2	Very low	57.6	Low	177 Å²	177	89.4 Å²	89.4	83%	0.827	53%	0.529	S	S	*	.	S	Bend	trans	-59.2	99	154.1	-78.1	-166	153.4	0	0	104.2	P581	P581-E583 VanDerWaalsContact C-N 3.29Å; P581-E583 PolarHBondContact O-N 2.78Å
584	S	48.7	Very low	55.9	Low	86 Å²	86	97 Å²	97	60%	0.601	56%	0.563	S	S	*	*			trans	49.8	96.4	-177.4	59.4	0	0	0	0	114.3	P582 G586	P582-S584 PolarHBondContact O-N 3.5Å; S584-G586 VanDerWaalsContact C-N 3.26Å; S584-G586 PolarHBondContact O-N 3.13Å
585	S	53.8	Low	54.6	Low	80 Å²	80	97.2 Å²	97.2	56%	0.559	57%	0.565	S	S	*	*			trans	-56.9	102.3	150.1	56.9	0	0	0	0	105.9	C587	S585-C587 PolarHBondContact O-N 2.66Å
586	G	62.8	Low	54.2	Low	0 Å²	0	93.4 Å²	93.4	0%	0	54%	0.541	C	S	.	.			trans	-64.4	52.8	180	0	0	0	0	0	112.2	S584 C599 E600 C610	S584-G586 VanDerWaalsContact C-N 3.26Å; S584-G586 PolarHBondContact O-N 3.13Å; G586-C599 CarbonylContact O-C 3.59Å; G586-C599 VanDerWaalsContact O-CA 3.32Å; G586-C599 WeakPolarHBondContact O-CA 3.24Å; G586-E600 PolarHBondContact O-N 3.46Å; G586-C610 WeakPolarHBondContact O-CB 3.13Å; G586-C610 PolarHBondContact O-SG 2.82Å; G586-C610 VanDerWaalsContact O-SG 3.4Å
587	C	68.1	Low	54.6	Low	19 Å²	19	86.9 Å²	86.9	13%	0.128	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.7	-174	-179.1	0	0	0	0	107.9	S585 T589 C596 V598	S585-C587 PolarHBondContact O-N 2.66Å; C587-T589 PolarHBondContact SG-O 3.11Å; C587-C596 WeakPolarHBondContact CA-SG 3.45Å; C587-C596 HydrophobicContact CB-CB 3.87Å; C587-C596 WeakPolarHBondContact CB-SG 3.21Å; C587-C596 WeakPolarHBondContact SG-CA 3.44Å; C587-C596 WeakPolarHBondContact SG-CB 3.37Å; C587-C596 CovalentContact SG-SG 2.01Å; C587-C596 PolarHBondContact SG-SG 3.29Å; C587-V598 CarbonylContact C-O 3.53Å
588	K	73.4	Confident	55.8	Low	153 Å²	153	85.5 Å²	85.5	67%	0.665	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	-27.7	179.7	-166.9	175.9	-176.6	178.2	0	112.4	V598 E600	K588-V598 WeakPolarHBondContact CA-O 3.48Å; K588-V598 HydrophobicContact CB-CB 4.25Å; K588-V598 HydrophobicContact CB-CG1 4.03Å; K588-V598 WeakPolarHBondContact CB-O 3.39Å; K588-V598 HydrophobicContact CD-CG1 4.1Å; K588-V598 PolarHBondContact N-O 3.35Å; K588-E600 HydrophobicContact CB-CG 4.3Å
589	T	67.4	Low	57.8	Low	54 Å²	54	80.2 Å²	80.2	33%	0.331	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	127.8	-178	-49.3	0	0	0	0	112	C587 V597 V598	C587-T589 PolarHBondContact SG-O 3.11Å; T589-V597 HydrophobicContact CG2-CG2 3.83Å; T589-V597 VanDerWaalsContact O-CG2 3.29Å; T589-V597 WeakPolarHBondContact O-CG2 3.41Å; T589-V597 PolarHBondContact O-N 3.16Å; T589-V598 PolarHBondContact N-O 3.22Å
590	L	68.1	Low	59.7	Low	102 Å²	102	79.7 Å²	79.7	53%	0.534	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.2	179.7	-76	142.9	0	0	0	110.9
591	T	63.5	Low	61.5	Low	39 Å²	39	82.4 Å²	82.4	24%	0.239	47%	0.466	C	S	.	.			trans	-82.2	165.2	168.9	52.3	0	0	0	0	111.4	S593 Q594 A595 V597	T591-S593 PolarHBondContact O-N 2.79Å; T591-S593 PolarHBondContact OG1-OG 2.79Å; T591-Q594 PolarHBondContact O-N 3.49Å; T591-A595 PolarHBondContact N-O 3.3Å; T591-A595 WeakPolarHBondContact OG1-CA 3.34Å; T591-A595 WeakPolarHBondContact OG1-CB 3.41Å; T591-A595 PolarHBondContact OG1-N 3.21Å; T591-A595 VanDerWaalsContact OG1-N 3.13Å; T591-A595 PolarHBondContact OG1-O 3.19Å; T591-V597 HydrophobicContact CG2-CG1 3.51Å; T591-V597 HydrophobicContact CG2-CG2 4.37Å
592	S	55.5	Low	63.3	Low	138 Å²	138	80.5 Å²	80.5	97%	0.965	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.7	174.5	52.1	0	0	0	0	114.1
593	S	56.8	Low	65.1	Low	92 Å²	92	78.2 Å²	78.2	64%	0.643	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	21.1	173.3	59.9	0	0	0	0	114	T591 A595	T591-S593 PolarHBondContact O-N 2.79Å; T591-S593 PolarHBondContact OG1-OG 2.79Å; S593-A595 PolarHBondContact O-N 2.93Å; S593-A595 VanDerWaalsContact O-N 3.11Å
594	Q	62.1	Low	67.1	Low	177 Å²	177	70.2 Å²	70.2	83%	0.827	41%	0.408	S	S	*	.	S	Bend	trans	57.3	21.7	-178.7	-64	-179.3	-28.8	0	0	115.2	T591	T591-Q594 PolarHBondContact O-N 3.49Å
595	A	61.3	Low	68.6	Low	18 Å²	18	67.9 Å²	67.9	15%	0.149	39%	0.389	C	S	.	.			trans	-93.9	133.5	174.8	0	0	0	0	0	110.5	T591 S593 K608	T591-A595 PolarHBondContact N-O 3.3Å; T591-A595 WeakPolarHBondContact OG1-CA 3.34Å; T591-A595 WeakPolarHBondContact OG1-CB 3.41Å; T591-A595 PolarHBondContact OG1-N 3.21Å; T591-A595 VanDerWaalsContact OG1-N 3.13Å; T591-A595 PolarHBondContact OG1-O 3.19Å; S593-A595 PolarHBondContact O-N 2.93Å; S593-A595 VanDerWaalsContact O-N 3.11Å; A595-K608 HydrophobicContact CB-CB 4.13Å; A595-K608 HydrophobicContact CB-CD 4.15Å; A595-K608 HydrophobicContact CB-CG 4.47Å
596	C	69.8	Low	69.9	Low	10 Å²	10	65.5 Å²	65.5	7%	0.068	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.6	178.7	-166.3	0	0	0	0	111.6	C587 V598 L605 K608 C610	C587-C596 WeakPolarHBondContact CA-SG 3.45Å; C587-C596 HydrophobicContact CB-CB 3.87Å; C587-C596 WeakPolarHBondContact CB-SG 3.21Å; C587-C596 WeakPolarHBondContact SG-CA 3.44Å; C587-C596 WeakPolarHBondContact SG-CB 3.37Å; C587-C596 CovalentContact SG-SG 2.01Å; C587-C596 PolarHBondContact SG-SG 3.29Å; C596-V598 PolarHBondContact SG-O 3.23Å; C596-L605 HydrophobicContact CB-CD1 4.41Å; C596-L605 WeakPolarHBondContact O-CD1 3.32Å; C596-K608 PolarHBondContact N-O 2.96Å; C596-C610 PolarHBondContact SG-SG 3.42Å
597	V	67.8	Low	70.3	Confident	43 Å²	43	73 Å²	73	26%	0.261	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-25.3	177.7	-73.2	0	0	0	0	113.6	T589 T591 Y627	T589-V597 HydrophobicContact CG2-CG2 3.83Å; T589-V597 VanDerWaalsContact O-CG2 3.29Å; T589-V597 WeakPolarHBondContact O-CG2 3.41Å; T589-V597 PolarHBondContact O-N 3.16Å; T591-V597 HydrophobicContact CG2-CG1 3.51Å; T591-V597 HydrophobicContact CG2-CG2 4.37Å; V597-Y627 HydrophobicContact CB-CE2 4.45Å; V597-Y627 HydrophobicContact CG2-CE2 4.23Å
598	V	70.9	Confident	70.5	Confident	24 Å²	24	79.3 Å²	79.3	15%	0.145	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.8	177.1	-175.7	0	0	0	0	108.8	C587 K588 T589 C596	C587-V598 CarbonylContact C-O 3.53Å; K588-V598 WeakPolarHBondContact CA-O 3.48Å; K588-V598 HydrophobicContact CB-CB 4.25Å; K588-V598 HydrophobicContact CB-CG1 4.03Å; K588-V598 WeakPolarHBondContact CB-O 3.39Å; K588-V598 HydrophobicContact CD-CG1 4.1Å; K588-V598 PolarHBondContact N-O 3.35Å; T589-V598 PolarHBondContact N-O 3.22Å; C596-V598 PolarHBondContact SG-O 3.23Å
599	C	76.9	Confident	70.4	Confident	22 Å²	22	75.5 Å²	75.5	15%	0.149	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155.7	176.1	-58.8	0	0	0	0	111.7	G586 F603 C610	G586-C599 CarbonylContact O-C 3.59Å; G586-C599 VanDerWaalsContact O-CA 3.32Å; G586-C599 WeakPolarHBondContact O-CA 3.24Å; C599-F603 HydrophobicContact CB-CB 3.81Å; C599-C610 WeakPolarHBondContact CA-SG 3.36Å; C599-C610 HydrophobicContact CB-CB 3.8Å; C599-C610 WeakPolarHBondContact CB-SG 3.19Å; C599-C610 WeakPolarHBondContact SG-CA 3.34Å; C599-C610 WeakPolarHBondContact SG-CB 3.41Å; C599-C610 CovalentContact SG-SG 2.03Å; C599-C610 PolarHBondContact SG-SG 2.77Å
600	E	77.8	Confident	71.1	Confident	95 Å²	95	74 Å²	74	44%	0.444	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-68.6	160.6	169.5	-67.7	-175.9	161.5	0	0	111.2	G586 K588 G602 F603	G586-E600 PolarHBondContact O-N 3.46Å; K588-E600 HydrophobicContact CB-CG 4.3Å; E600-G602 PolarHBondContact O-N 3.43Å; E600-F603 HydrophobicContact CB-CD2 4.4Å; E600-F603 PolarHBondContact O-N 2.81Å
601	E	72.4	Confident	71.6	Confident	199 Å²	199	71.2 Å²	71.2	93%	0.93	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	130.7	177.6	-70.9	-172.5	167.2	0	0	110.5
602	G	71.9	Confident	72.4	Confident	62 Å²	62	75.5 Å²	75.5	64%	0.639	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-4.4	-174	0	0	0	0	0	115	E600	E600-G602 PolarHBondContact O-N 3.43Å
603	F	78.8	Confident	73.6	Confident	52 Å²	52	76 Å²	76	23%	0.228	40%	0.404	C	S	.	.			trans	-115.8	146	173.9	-69.3	-99.1	0	0	0	111.8	C599 E600 C610 Q612	C599-F603 HydrophobicContact CB-CB 3.81Å; E600-F603 HydrophobicContact CB-CD2 4.4Å; E600-F603 PolarHBondContact O-N 2.81Å; F603-C610 HydrophobicContact CB-CB 4.04Å; F603-C610 HydrophobicContact CD1-CB 4.31Å; F603-C610 HydrophobicContact CG-CB 4.49Å; F603-Q612 HydrophobicContact CD1-CB 4.19Å; F603-Q612 HydrophobicContact CE1-CB 4.02Å
604	S	81.6	Confident	74.7	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.063	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.7	177.4	-60.5	0	0	0	0	111.1	H606 V611 S639	S604-H606 PolarHBondContact O-N 3.16Å; S604-V611 PolarHBondContact N-O 3.33Å; S604-V611 WeakPolarHBondContact O-CG2 3.19Å; S604-V611 PolarHBondContact O-N 2.93Å; S604-S639 WeakPolarHBondContact CA-O 3.39Å; S604-S639 PolarHBondContact OG-OG 3.22Å
605	L	80.6	Confident	75.6	Confident	37 Å²	37	66.4 Å²	66.4	19%	0.194	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.5	179.5	-171.4	69.3	0	0	0	110.4	C596 S639 V640 C641	C596-L605 HydrophobicContact CB-CD1 4.41Å; C596-L605 WeakPolarHBondContact O-CD1 3.32Å; L605-S639 PolarHBondContact N-O 3.44Å; L605-V640 HydrophobicContact CB-CG2 4.36Å; L605-V640 WeakPolarHBondContact O-CG1 3.43Å; L605-C641 PolarHBondContact O-N 3.44Å
606	H	81.1	Confident	76.3	Confident	30 Å²	30	71.2 Å²	71.2	14%	0.139	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.2	171.6	-172.7	72.7	0	0	0	109.8	S604 K608 S609 V611 P615 F618 C641	S604-H606 PolarHBondContact O-N 3.16Å; H606-K608 VanDerWaalsContact C-N 3.26Å; H606-K608 PolarHBondContact O-N 2.83Å; H606-K608 VanDerWaalsContact O-N 3.1Å; H606-S609 PolarHBondContact N-O 2.88Å; H606-S609 PolarHBondContact O-N 2.78Å; H606-S609 VanDerWaalsContact O-O 3.05Å; H606-V611 HydrophobicContact CB-CG2 3.83Å; H606-P615 WeakPolarHBondContact NE2-CG 3.46Å; H606-F618 AromaticContact CE1-CD2 3.81Å; H606-F618 AromaticContact CE1-CE1 3.94Å; H606-F618 AromaticContact CE1-CE2 3.74Å; H606-F618 AromaticContact CE1-CG 3.97Å; H606-F618 AromaticContact CE1-CZ 3.81Å; H606-C641 HydrophobicContact CB-CB 4.01Å
607	Q	71.1	Confident	76.8	Confident	158 Å²	158	71.9 Å²	71.9	74%	0.738	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	45.6	176.2	-61.8	-175.5	-0.9	0	0	114.4
608	K	71.9	Confident	77.6	Confident	152 Å²	152	73 Å²	73	66%	0.661	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	10.4	178.3	-49.2	174.2	-179.8	178.9	0	116.2	A595 C596 H606	A595-K608 HydrophobicContact CB-CB 4.13Å; A595-K608 HydrophobicContact CB-CD 4.15Å; A595-K608 HydrophobicContact CB-CG 4.47Å; C596-K608 PolarHBondContact N-O 2.96Å; H606-K608 VanDerWaalsContact C-N 3.26Å; H606-K608 PolarHBondContact O-N 2.83Å; H606-K608 VanDerWaalsContact O-N 3.1Å
609	S	72.3	Confident	78.2	Confident	73 Å²	73	72 Å²	72	51%	0.51	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.3	174.4	-63.8	0	0	0	0	111	H606	H606-S609 PolarHBondContact N-O 2.88Å; H606-S609 PolarHBondContact O-N 2.78Å; H606-S609 VanDerWaalsContact O-O 3.05Å
610	C	81.4	Confident	78.5	Confident	22 Å²	22	74.7 Å²	74.7	15%	0.149	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.7	175.7	-65.7	0	0	0	0	110	G586 C596 C599 F603	G586-C610 WeakPolarHBondContact O-CB 3.13Å; G586-C610 PolarHBondContact O-SG 2.82Å; G586-C610 VanDerWaalsContact O-SG 3.4Å; C596-C610 PolarHBondContact SG-SG 3.42Å; C599-C610 WeakPolarHBondContact CA-SG 3.36Å; C599-C610 HydrophobicContact CB-CB 3.8Å; C599-C610 WeakPolarHBondContact CB-SG 3.19Å; C599-C610 WeakPolarHBondContact SG-CA 3.34Å; C599-C610 WeakPolarHBondContact SG-CB 3.41Å; C599-C610 CovalentContact SG-SG 2.03Å; C599-C610 PolarHBondContact SG-SG 2.77Å; F603-C610 HydrophobicContact CB-CB 4.04Å; F603-C610 HydrophobicContact CD1-CB 4.31Å; F603-C610 HydrophobicContact CG-CB 4.49Å
611	V	79.4	Confident	78.6	Confident	43 Å²	43	73.6 Å²	73.6	26%	0.261	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.3	179.1	-64	0	0	0	0	110	S604 H606 H613	S604-V611 PolarHBondContact N-O 3.33Å; S604-V611 WeakPolarHBondContact O-CG2 3.19Å; S604-V611 PolarHBondContact O-N 2.93Å; H606-V611 HydrophobicContact CB-CG2 3.83Å; V611-H613 VanDerWaalsContact C-N 3.31Å; V611-H613 WeakPolarHBondContact CG2-O 3.43Å
612	Q	79.8	Confident	78.9	Confident	129 Å²	129	68.6 Å²	68.6	60%	0.603	38%	0.384	S	S	*	.	S	Bend	trans	-70.7	-31.1	177.4	-164.7	178.9	16.7	0	0	111.6	F603	F603-Q612 HydrophobicContact CD1-CB 4.19Å; F603-Q612 HydrophobicContact CE1-CB 4.02Å
613	H	80.6	Confident	78.8	Confident	148 Å²	148	69.5 Å²	69.5	69%	0.685	37%	0.374	S	S	*	.	S	Bend	trans	-129.2	132.2	177.3	-58.7	90.5	0	0	0	109.8	V611	V611-H613 VanDerWaalsContact C-N 3.31Å; V611-H613 WeakPolarHBondContact CG2-O 3.43Å
614	C	79.9	Confident	78.2	Confident	28 Å²	28	71.5 Å²	71.5	19%	0.189	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-68.7	141.5	177.2	-66.5	0	0	0	0	111	F618 C641	C614-F618 HydrophobicContact CB-CB 4.07Å; C614-F618 WeakPolarHBondContact CB-O 3.42Å; C614-C641 WeakPolarHBondContact CA-SG 3.39Å; C614-C641 HydrophobicContact CB-CB 3.85Å; C614-C641 WeakPolarHBondContact CB-SG 3.28Å; C614-C641 WeakPolarHBondContact SG-CA 3.38Å; C614-C641 WeakPolarHBondContact SG-CB 3.39Å; C614-C641 CovalentContact SG-SG 2.04Å; C614-C641 PolarHBondContact SG-SG 3.34Å
615	P	80.4	Confident	77.1	Confident	40 Å²	40	73.9 Å²	73.9	26%	0.26	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.6	160.9	178.9	25.5	-31.5	0	0	0	112	H606 G617 F618	H606-P615 WeakPolarHBondContact NE2-CG 3.46Å; P615-G617 PolarHBondContact O-N 3.41Å; P615-F618 HydrophobicContact CG-CD2 4.05Å; P615-F618 PolarHBondContact O-N 3.34Å
616	P	76.4	Confident	76	Confident	119 Å²	119	78.5 Å²	78.5	77%	0.773	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	133.3	178.5	-26.5	34.4	0	0	0	112.4
617	G	80.1	Confident	74.5	Confident	24 Å²	24	81.7 Å²	81.7	25%	0.247	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	1.5	-174	0	0	0	0	0	115	P615 C644	P615-G617 PolarHBondContact O-N 3.41Å; G617-C644 WeakPolarHBondContact O-CB 3.46Å; G617-C644 PolarHBondContact O-N 3.19Å; G617-C644 PolarHBondContact O-SG 2.78Å; G617-C644 VanDerWaalsContact O-SG 3.41Å
618	F	84.7	Confident	73.3	Confident	68 Å²	68	78.7 Å²	78.7	30%	0.298	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.3	173.4	-62	-99.5	0	0	0	111.7	H606 C614 P615 C641 A642 P643	H606-F618 AromaticContact CE1-CD2 3.81Å; H606-F618 AromaticContact CE1-CE1 3.94Å; H606-F618 AromaticContact CE1-CE2 3.74Å; H606-F618 AromaticContact CE1-CG 3.97Å; H606-F618 AromaticContact CE1-CZ 3.81Å; C614-F618 HydrophobicContact CB-CB 4.07Å; C614-F618 WeakPolarHBondContact CB-O 3.42Å; P615-F618 HydrophobicContact CG-CD2 4.05Å; P615-F618 PolarHBondContact O-N 3.34Å; F618-C641 HydrophobicContact CB-CB 4.02Å; F618-C641 HydrophobicContact CD1-CB 4.48Å; F618-C641 WeakPolarHBondContact CD1-O 3.48Å; F618-A642 CarbonylContact C-O 3.08Å; F618-A642 WeakPolarHBondContact CA-O 3.37Å; F618-P643 HydrophobicContact CD1-CB 4.14Å; F618-P643 HydrophobicContact CE1-CB 3.99Å
619	A	83.9	Confident	72.1	Confident	2 Å²	2	75.5 Å²	75.5	2%	0.017	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.2	174.6	0	0	0	0	0	111	Q621 C641 A642 C651	A619-Q621 PolarHBondContact O-N 3.21Å; A619-C641 CarbonylContact O-C 3.53Å; A619-A642 PolarHBondContact N-O 3.36Å; A619-A642 PolarHBondContact O-N 3.24Å; A619-C651 VanDerWaalsContact CB-SG 3.58Å
620	P	82	Confident	71	Confident	79 Å²	79	81.3 Å²	81.3	51%	0.513	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	128.6	178.3	27.9	-33.1	0	0	0	110.6
621	Q	80.5	Confident	69.3	Low	71 Å²	71	87.8 Å²	87.8	33%	0.332	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.8	176.8	-166.9	179.2	5.9	0	0	109.8	A619 L623 V640 A642	A619-Q621 PolarHBondContact O-N 3.21Å; Q621-L623 HydrophobicContact CB-CD1 4.24Å; Q621-L623 HydrophobicContact CG-CD1 3.83Å; Q621-L623 PolarHBondContact O-N 3.41Å; Q621-V640 PolarHBondContact N-O 3.28Å; Q621-V640 PolarHBondContact O-N 2.96Å; Q621-A642 HydrophobicContact CB-CB 3.8Å
622	V	78.1	Confident	67.9	Low	95 Å²	95	92.1 Å²	92.1	58%	0.576	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	114.6	173.8	-175.8	0	0	0	0	108.3	R637 A638	V622-R637 HydrophobicContact CG1-CB 3.88Å; V622-R637 HydrophobicContact CG1-CG 4.23Å; V622-A638 WeakPolarHBondContact CA-O 3.41Å
623	L	70.4	Confident	66.3	Low	80 Å²	80	90.2 Å²	90.2	42%	0.419	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146	170.8	-100	81.5	0	0	0	110.1	Q621 T625 A638	Q621-L623 HydrophobicContact CB-CD1 4.24Å; Q621-L623 HydrophobicContact CG-CD1 3.83Å; Q621-L623 PolarHBondContact O-N 3.41Å; L623-T625 PolarHBondContact O-N 3.38Å; L623-A638 PolarHBondContact N-O 3.17Å; L623-A638 PolarHBondContact O-N 3.13Å
624	D	66.1	Low	65.1	Low	95 Å²	95	90.3 Å²	90.3	51%	0.508	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.2	163.6	-67.2	-39.6	0	0	0	107.5	T635 R637	D624-T635 HydrophobicContact CB-CG2 3.92Å; D624-R637 WeakPolarHBondContact OD1-CG 3.47Å; D624-R637 IonicContact OD1-NE 3.7Å
625	T	58.1	Low	63.9	Low	58 Å²	58	92.7 Å²	92.7	36%	0.356	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.3	174	40.7	0	0	0	0	109.7	L623 I636 A638	L623-T625 PolarHBondContact O-N 3.38Å; T625-I636 PolarHBondContact N-O 2.98Å; T625-I636 PolarHBondContact O-N 2.78Å; T625-I636 PolarHBondContact OG1-O 3Å; T625-A638 WeakPolarHBondContact OG1-CB 3.47Å
626	H	57.2	Low	63.1	Low	134 Å²	134	93.9 Å²	93.9	62%	0.62	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.5	173.5	-65.3	-66.2	0	0	0	109.2	V633 T635	H626-V633 HydrophobicContact CB-CG1 4.44Å; H626-T635 PolarHBondContact CE1-OG1 2.82Å; H626-T635 PolarHBondContact ND1-OG1 3.17Å
627	Y	51.2	Low	62.5	Low	97 Å²	97	97.7 Å²	97.7	38%	0.38	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.1	172.6	-161.6	-110.4	0	0	0	108.9	V597 T629	V597-Y627 HydrophobicContact CB-CE2 4.45Å; V597-Y627 HydrophobicContact CG2-CE2 4.23Å; Y627-T629 HydrophobicContact CD1-CG2 3.87Å; Y627-T629 HydrophobicContact CE1-CG2 3.48Å; Y627-T629 VanDerWaalsContact CE1-CG2 3.48Å
628	S	45	Very low	62	Low	96 Å²	96	97.1 Å²	97.1	67%	0.671	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.3	173.6	-60.7	0	0	0	0	108.8
629	T	47.5	Very low	61.7	Low	84 Å²	84	95.7 Å²	95.7	52%	0.515	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	153.7	157.7	36.7	0	0	0	0	108.5	Y627 N631 D632	Y627-T629 HydrophobicContact CD1-CG2 3.87Å; Y627-T629 HydrophobicContact CE1-CG2 3.48Å; Y627-T629 VanDerWaalsContact CE1-CG2 3.48Å; T629-N631 PolarHBondContact O-N 2.81Å; T629-D632 PolarHBondContact O-N 3.18Å
630	E	48.6	Very low	61.7	Low	196 Å²	196	97.6 Å²	97.6	92%	0.916	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	8.7	-165.8	-75.7	-173.9	147.8	0	0	117.5
631	N	46.6	Very low	61.9	Low	158 Å²	158	94.2 Å²	94.2	85%	0.845	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.1	12.2	167.5	-92.9	-37.2	0	0	0	117.6	T629	T629-N631 PolarHBondContact O-N 2.81Å
632	D	48.1	Very low	62.1	Low	134 Å²	134	91.4 Å²	91.4	72%	0.717	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-163.3	148.3	167	-100.6	-35.4	0	0	0	112.3	T629	T629-D632 PolarHBondContact O-N 3.18Å
633	V	47.4	Very low	62.5	Low	88 Å²	88	91 Å²	91	53%	0.533	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	98	177.7	-176.9	0	0	0	0	109.5	H626	H626-V633 HydrophobicContact CB-CG1 4.44Å
634	E	54.9	Low	63.3	Low	150 Å²	150	88 Å²	88	70%	0.701	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	132.9	166.2	-88.9	-174.4	154.3	0	0	110.4
635	T	55.4	Low	64.2	Low	79 Å²	79	87.2 Å²	87.2	49%	0.485	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	114.8	174.2	-52.8	0	0	0	0	108	D624 H626	D624-T635 HydrophobicContact CB-CG2 3.92Å; H626-T635 PolarHBondContact CE1-OG1 2.82Å; H626-T635 PolarHBondContact ND1-OG1 3.17Å
636	I	62.3	Low	65.3	Low	65 Å²	65	89.3 Å²	89.3	33%	0.333	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.3	-179.3	-59	176.3	0	0	0	108.6	T625 A638	T625-I636 PolarHBondContact N-O 2.98Å; T625-I636 PolarHBondContact O-N 2.78Å; T625-I636 PolarHBondContact OG1-O 3Å; I636-A638 PolarHBondContact O-N 3.11Å
637	R	64.4	Low	66.6	Low	198 Å²	198	84.5 Å²	84.5	75%	0.747	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	109.7	169.5	-77.7	178.7	179.7	177.2	2.3	109	V622 D624	V622-R637 HydrophobicContact CG1-CB 3.88Å; V622-R637 HydrophobicContact CG1-CG 4.23Å; D624-R637 WeakPolarHBondContact OD1-CG 3.47Å; D624-R637 IonicContact OD1-NE 3.7Å
638	A	69.2	Low	68.2	Low	12 Å²	12	80.5 Å²	80.5	10%	0.099	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.7	178.7	0	0	0	0	0	110.9	V622 L623 T625 I636 V640	V622-A638 WeakPolarHBondContact CA-O 3.41Å; L623-A638 PolarHBondContact N-O 3.17Å; L623-A638 PolarHBondContact O-N 3.13Å; T625-A638 WeakPolarHBondContact OG1-CB 3.47Å; I636-A638 PolarHBondContact O-N 3.11Å; A638-V640 HydrophobicContact CB-CG2 4.48Å
639	S	79.3	Confident	70.1	Confident	39 Å²	39	77.8 Å²	77.8	27%	0.273	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.4	170	-168	0	0	0	0	109.5	S604 L605	S604-S639 WeakPolarHBondContact CA-O 3.39Å; S604-S639 PolarHBondContact OG-OG 3.22Å; L605-S639 PolarHBondContact N-O 3.44Å
640	V	83.9	Confident	71.9	Confident	41 Å²	41	76.1 Å²	76.1	25%	0.248	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142	-178.8	-175.8	0	0	0	0	108.9	L605 Q621 A638 A642	L605-V640 HydrophobicContact CB-CG2 4.36Å; L605-V640 WeakPolarHBondContact O-CG1 3.43Å; Q621-V640 PolarHBondContact N-O 3.28Å; Q621-V640 PolarHBondContact O-N 2.96Å; A638-V640 HydrophobicContact CB-CG2 4.48Å; V640-A642 PolarHBondContact O-N 3.21Å; V640-A642 VanDerWaalsContact O-N 3.11Å
641	C	85.8	Confident	73.6	Confident	9 Å²	9	67.3 Å²	67.3	6%	0.061	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	101.9	172	-67.9	0	0	0	0	109.9	L605 H606 C614 F618 A619	L605-C641 PolarHBondContact O-N 3.44Å; H606-C641 HydrophobicContact CB-CB 4.01Å; C614-C641 WeakPolarHBondContact CA-SG 3.39Å; C614-C641 HydrophobicContact CB-CB 3.85Å; C614-C641 WeakPolarHBondContact CB-SG 3.28Å; C614-C641 WeakPolarHBondContact SG-CA 3.38Å; C614-C641 WeakPolarHBondContact SG-CB 3.39Å; C614-C641 CovalentContact SG-SG 2.04Å; C614-C641 PolarHBondContact SG-SG 3.34Å; F618-C641 HydrophobicContact CB-CB 4.02Å; F618-C641 HydrophobicContact CD1-CB 4.48Å; F618-C641 WeakPolarHBondContact CD1-O 3.48Å; A619-C641 CarbonylContact O-C 3.53Å
642	A	84.9	Confident	75.5	Confident	12 Å²	12	64.2 Å²	64.2	10%	0.099	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.7	176.5	0	0	0	0	0	110.7	F618 A619 Q621 V640	F618-A642 CarbonylContact C-O 3.08Å; F618-A642 WeakPolarHBondContact CA-O 3.37Å; A619-A642 PolarHBondContact N-O 3.36Å; A619-A642 PolarHBondContact O-N 3.24Å; Q621-A642 HydrophobicContact CB-CB 3.8Å; V640-A642 PolarHBondContact O-N 3.21Å; V640-A642 VanDerWaalsContact O-N 3.11Å
643	P	86.2	Confident	77.2	Confident	85 Å²	85	58.1 Å²	58.1	55%	0.552	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	143	179.5	28	-34	0	0	0	111.3	F618	F618-P643 HydrophobicContact CD1-CB 4.14Å; F618-P643 HydrophobicContact CE1-CB 3.99Å
644	C	86.8	Confident	78.9	Confident	19 Å²	19	56.5 Å²	56.5	13%	0.128	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-62.6	155.8	171.8	-66.1	0	0	0	0	111.8	G617 C648 C651	G617-C644 WeakPolarHBondContact O-CB 3.46Å; G617-C644 PolarHBondContact O-N 3.19Å; G617-C644 PolarHBondContact O-SG 2.78Å; G617-C644 VanDerWaalsContact O-SG 3.41Å; C644-C648 HydrophobicContact CB-CB 4.44Å; C644-C651 WeakPolarHBondContact CA-SG 3.35Å; C644-C651 HydrophobicContact CB-CB 3.68Å; C644-C651 WeakPolarHBondContact CB-SG 3.5Å; C644-C651 WeakPolarHBondContact SG-CB 3.44Å; C644-C651 PolarHBondContact SG-N 3.22Å; C644-C651 CovalentContact SG-SG 2.02Å; C644-C651 PolarHBondContact SG-SG 3.32Å
645	H	85.2	Confident	80.2	Confident	77 Å²	77	50.9 Å²	50.9	36%	0.356	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-57.4	141.2	169.2	-168.6	-95.9	0	0	0	110.3	S647 C648 P654	H645-S647 PolarHBondContact ND1-N 2.9Å; H645-S647 PolarHBondContact ND1-OG 2.97Å; H645-S647 PolarHBondContact O-N 2.76Å; H645-C648 PolarHBondContact O-N 3.5Å; H645-P654 WeakPolarHBondContact CB-O 3.39Å
646	A	82.4	Confident	81.4	Confident	102 Å²	102	50 Å²	50	84%	0.843	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.7	-172.9	0	0	0	0	0	114.9
647	S	83	Confident	82.5	Confident	34 Å²	34	50.1 Å²	50.1	24%	0.238	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.7	174	58.5	0	0	0	0	113.8	H645 P663 C675	H645-S647 PolarHBondContact ND1-N 2.9Å; H645-S647 PolarHBondContact ND1-OG 2.97Å; H645-S647 PolarHBondContact O-N 2.76Å; S647-P663 WeakPolarHBondContact O-CD 3.47Å; S647-C675 WeakPolarHBondContact O-CB 3.49Å; S647-C675 PolarHBondContact O-SG 3.15Å
648	C	85.5	Confident	83.6	Confident	13 Å²	13	42.3 Å²	42.3	9%	0.088	28%	0.275	C	S	.	.			trans	-99	146.8	-176.3	-43.2	0	0	0	0	111.2	C644 H645 C651 C659	C644-C648 HydrophobicContact CB-CB 4.44Å; H645-C648 PolarHBondContact O-N 3.5Å; C648-C651 HydrophobicContact CB-CB 4.34Å; C648-C659 HydrophobicContact CB-CB 3.71Å; C648-C659 WeakPolarHBondContact CB-SG 3.35Å; C648-C659 WeakPolarHBondContact SG-CA 3.29Å; C648-C659 WeakPolarHBondContact SG-CB 3.24Å; C648-C659 CovalentContact SG-SG 2.03Å; C648-C659 PolarHBondContact SG-SG 3.18Å
649	A	84.3	Confident	84.4	Confident	38 Å²	38	41.8 Å²	41.8	31%	0.314	27%	0.27	S	S	.	.	S	Bend	trans	-88.6	-37.8	167.8	0	0	0	0	0	111.6	S661 P663	A649-S661 PolarHBondContact N-O 3.27Å; A649-P663 HydrophobicContact CB-CG 4.33Å
650	T	85.3	Confident	84.7	Confident	49 Å²	49	44.2 Å²	44.2	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.8	166.5	61.3	0	0	0	0	109.1	L660 S661	T650-L660 PolarHBondContact O-N 3.18Å; T650-L660 WeakPolarHBondContact OG1-CB 3.26Å; T650-S661 WeakPolarHBondContact CB-OG 3.37Å; T650-S661 PolarHBondContact N-O 2.57Å; T650-S661 PolarHBondContact N-OG 2.91Å; T650-S661 VanDerWaalsContact N-OG 3.09Å; T650-S661 PolarHBondContact O-N 2.91Å; T650-S661 WeakPolarHBondContact OG1-CB 3.45Å; T650-S661 PolarHBondContact OG1-N 2.94Å; T650-S661 PolarHBondContact OG1-OG 3.5Å
651	C	85.2	Confident	84.8	Confident	11 Å²	11	44.2 Å²	44.2	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	159	-175	67.5	0	0	0	0	112.1	A619 C644 C648 G653 D658	A619-C651 VanDerWaalsContact CB-SG 3.58Å; C644-C651 WeakPolarHBondContact CA-SG 3.35Å; C644-C651 HydrophobicContact CB-CB 3.68Å; C644-C651 WeakPolarHBondContact CB-SG 3.5Å; C644-C651 WeakPolarHBondContact SG-CB 3.44Å; C644-C651 PolarHBondContact SG-N 3.22Å; C644-C651 CovalentContact SG-SG 2.02Å; C644-C651 PolarHBondContact SG-SG 3.32Å; C648-C651 HydrophobicContact CB-CB 4.34Å; C651-G653 VanDerWaalsContact CB-O 3.25Å; C651-G653 WeakPolarHBondContact CB-O 3.1Å; C651-G653 PolarHBondContact SG-O 2.88Å; C651-D658 CarbonylContact C-O 3.54Å; C651-D658 WeakPolarHBondContact CA-O 3.42Å; C651-D658 VanDerWaalsContact CB-O 3.22Å; C651-D658 WeakPolarHBondContact CB-O 3.48Å
652	Q	85.9	Confident	84.8	Confident	94 Å²	94	45 Å²	45	44%	0.439	29%	0.287	S	S	.	.	S	Bend	trans	-91.2	-11.8	168	69.3	-171.9	14	0	0	112.3	D658 L660	Q652-D658 HydrophobicContact CG-CB 3.69Å; Q652-D658 PolarHBondContact N-O 3.26Å; Q652-D658 PolarHBondContact NE2-OD1 3.08Å; Q652-L660 HydrophobicContact CB-CD1 4.21Å; Q652-L660 HydrophobicContact CB-CD2 4.37Å; Q652-L660 HydrophobicContact CB-CG 4.28Å
653	G	84	Confident	84.7	Confident	6 Å²	6	45.9 Å²	45.9	6%	0.062	29%	0.292	C	S	.	.	S	Bend	trans	-168.7	173	-176.1	0	0	0	0	0	112.1	C651 A655 D658	C651-G653 VanDerWaalsContact CB-O 3.25Å; C651-G653 WeakPolarHBondContact CB-O 3.1Å; C651-G653 PolarHBondContact SG-O 2.88Å; G653-A655 VanDerWaalsContact C-N 3.26Å; G653-A655 PolarHBondContact O-N 2.96Å; G653-D658 WeakPolarHBondContact CA-OD2 3.35Å; G653-D658 WeakPolarHBondContact O-CB 3.26Å
654	P	82.6	Confident	84.2	Confident	54 Å²	54	48.3 Å²	48.3	35%	0.351	31%	0.311	S	S	.	.	S	Bend	trans	-78.7	-4.4	-174.4	33	-37.1	0	0	0	113.8	H645	H645-P654 WeakPolarHBondContact CB-O 3.39Å
655	A	82.6	Confident	83.8	Confident	31 Å²	31	52.7 Å²	52.7	26%	0.256	33%	0.329	S	S	.	.	S	Bend	trans	-76.5	153	-177.5	0	0	0	0	0	111.9	G653 T657 D658	G653-A655 VanDerWaalsContact C-N 3.26Å; G653-A655 PolarHBondContact O-N 2.96Å; A655-T657 PolarHBondContact O-N 3.23Å; A655-T657 VanDerWaalsContact O-N 3.15Å; A655-D658 HydrophobicContact CB-CB 4.36Å; A655-D658 WeakPolarHBondContact CB-OD2 3.38Å; A655-D658 PolarHBondContact N-OD2 2.88Å; A655-D658 PolarHBondContact O-N 3.24Å; A655-D658 VanDerWaalsContact O-N 3.09Å
656	P	81.1	Confident	83.6	Confident	62 Å²	62	50.2 Å²	50.2	40%	0.403	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.7	174.1	24	-33.3	0	0	0	114.1	T674	P656-T674 WeakPolarHBondContact O-CG2 3.41Å
657	T	85.8	Confident	83.6	Confident	66 Å²	66	47.4 Å²	47.4	41%	0.405	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	9.2	177.3	55.2	0	0	0	0	112.9	A655 Q673 T674	A655-T657 PolarHBondContact O-N 3.23Å; A655-T657 VanDerWaalsContact O-N 3.15Å; T657-Q673 CarbonylContact C-O 3.57Å; T657-Q673 WeakPolarHBondContact CA-O 3.45Å; T657-Q673 WeakPolarHBondContact O-CB 3.43Å; T657-T674 HydrophobicContact CG2-CG2 3.67Å
658	D	86.4	Confident	83.7	Confident	34 Å²	34	48.9 Å²	48.9	18%	0.182	30%	0.301	C	S	.	.			trans	-107.2	21.4	-179	-76.4	-35	0	0	0	111.9	C651 Q652 G653 A655 L660	C651-D658 CarbonylContact C-O 3.54Å; C651-D658 WeakPolarHBondContact CA-O 3.42Å; C651-D658 VanDerWaalsContact CB-O 3.22Å; C651-D658 WeakPolarHBondContact CB-O 3.48Å; Q652-D658 HydrophobicContact CG-CB 3.69Å; Q652-D658 PolarHBondContact N-O 3.26Å; Q652-D658 PolarHBondContact NE2-OD1 3.08Å; G653-D658 WeakPolarHBondContact CA-OD2 3.35Å; G653-D658 WeakPolarHBondContact O-CB 3.26Å; A655-D658 HydrophobicContact CB-CB 4.36Å; A655-D658 WeakPolarHBondContact CB-OD2 3.38Å; A655-D658 PolarHBondContact N-OD2 2.88Å; A655-D658 PolarHBondContact O-N 3.24Å; A655-D658 VanDerWaalsContact O-N 3.09Å; D658-L660 PolarHBondContact O-N 3.29Å
659	C	85.4	Confident	83.7	Confident	1 Å²	1	51 Å²	51	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.8	-177	-57.5	0	0	0	0	111.2	C648 L668 Q673 C675	C648-C659 HydrophobicContact CB-CB 3.71Å; C648-C659 WeakPolarHBondContact CB-SG 3.35Å; C648-C659 WeakPolarHBondContact SG-CA 3.29Å; C648-C659 WeakPolarHBondContact SG-CB 3.24Å; C648-C659 CovalentContact SG-SG 2.03Å; C648-C659 PolarHBondContact SG-SG 3.18Å; C659-L668 HydrophobicContact CB-CD1 3.73Å; C659-L668 WeakPolarHBondContact O-CD1 3.28Å; C659-Q673 VanDerWaalsContact CB-O 3.31Å; C659-Q673 WeakPolarHBondContact CB-O 3.25Å; C659-Q673 PolarHBondContact N-O 3.16Å; C659-C675 PolarHBondContact SG-SG 3.35Å
660	L	86.8	Confident	83.4	Confident	91 Å²	91	54.2 Å²	54.2	48%	0.476	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-26.9	170.7	-66.1	175.7	0	0	0	111.9	T650 Q652 D658 L668	T650-L660 PolarHBondContact O-N 3.18Å; T650-L660 WeakPolarHBondContact OG1-CB 3.26Å; Q652-L660 HydrophobicContact CB-CD1 4.21Å; Q652-L660 HydrophobicContact CB-CD2 4.37Å; Q652-L660 HydrophobicContact CB-CG 4.28Å; D658-L660 PolarHBondContact O-N 3.29Å; L660-L668 WeakPolarHBondContact O-CD2 3.32Å
661	S	86.3	Confident	83.2	Confident	40 Å²	40	57.6 Å²	57.6	28%	0.28	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	156.5	171.1	69.5	0	0	0	0	110.5	A649 T650	A649-S661 PolarHBondContact N-O 3.27Å; T650-S661 WeakPolarHBondContact CB-OG 3.37Å; T650-S661 PolarHBondContact N-O 2.57Å; T650-S661 PolarHBondContact N-OG 2.91Å; T650-S661 VanDerWaalsContact N-OG 3.09Å; T650-S661 PolarHBondContact O-N 2.91Å; T650-S661 WeakPolarHBondContact OG1-CB 3.45Å; T650-S661 PolarHBondContact OG1-N 2.94Å; T650-S661 PolarHBondContact OG1-OG 3.5Å
662	C	86.1	Confident	83	Confident	26 Å²	26	62.7 Å²	62.7	18%	0.176	37%	0.372	C	S	.	.			trans	-108.8	152.6	179.6	-60.4	0	0	0	0	111.7	A666 S667 L668 C675	C662-A666 HydrophobicContact CB-CB 4Å; C662-A666 WeakPolarHBondContact CB-O 3.5Å; C662-S667 VanDerWaalsContact SG-C 3.55Å; C662-L668 WeakPolarHBondContact SG-CA 3.14Å; C662-L668 VanDerWaalsContact SG-CB 3.55Å; C662-L668 PolarHBondContact SG-N 2.87Å; C662-C675 WeakPolarHBondContact CA-SG 3.12Å; C662-C675 HydrophobicContact CB-CB 3.88Å; C662-C675 WeakPolarHBondContact CB-SG 3.33Å; C662-C675 WeakPolarHBondContact SG-CA 3.48Å; C662-C675 WeakPolarHBondContact SG-CB 3.13Å; C662-C675 CovalentContact SG-SG 2.02Å; C662-C675 PolarHBondContact SG-SG 3.32Å
663	P	82.2	Confident	83.1	Confident	31 Å²	31	61.4 Å²	61.4	20%	0.201	37%	0.366	C	S	.	.			trans	-56.1	155.9	168.7	-23.7	34.7	0	0	0	111.1	S647 A649 H665 A666	S647-P663 WeakPolarHBondContact O-CD 3.47Å; A649-P663 HydrophobicContact CB-CG 4.33Å; P663-H665 VanDerWaalsContact CB-CE1 3.44Å; P663-H665 WeakPolarHBondContact CB-CE1 3.46Å; P663-H665 PolarHBondContact O-N 2.87Å; P663-A666 PolarHBondContact O-N 3.45Å
664	S	76.1	Confident	83.2	Confident	136 Å²	136	63.1 Å²	63.1	95%	0.951	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-7.7	-174.6	53.3	0	0	0	0	116.9
665	H	77.6	Confident	83.4	Confident	111 Å²	111	61.5 Å²	61.5	51%	0.514	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	10.4	-179.1	61.5	-85.8	0	0	0	113.9	P663	P663-H665 VanDerWaalsContact CB-CE1 3.44Å; P663-H665 WeakPolarHBondContact CB-CE1 3.46Å; P663-H665 PolarHBondContact O-N 2.87Å
666	A	80.9	Confident	83.3	Confident	24 Å²	24	62.9 Å²	62.9	20%	0.198	37%	0.373	C	S	.	.			trans	-136.8	151.8	178.6	0	0	0	0	0	110.9	C662 P663 C675	C662-A666 HydrophobicContact CB-CB 4Å; C662-A666 WeakPolarHBondContact CB-O 3.5Å; P663-A666 PolarHBondContact O-N 3.45Å; A666-C675 HydrophobicContact CB-CB 4.25Å
667	S	82.8	Confident	82.6	Confident	43 Å²	43	69.2 Å²	69.2	30%	0.301	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.8	175.6	49.7	0	0	0	0	110.6	C662 S676	C662-S667 VanDerWaalsContact SG-C 3.55Å; S667-S676 PolarHBondContact N-O 3.39Å; S667-S676 PolarHBondContact O-N 2.97Å; S667-S676 VanDerWaalsContact O-N 3.12Å
668	L	85.5	Confident	81.2	Confident	65 Å²	65	73.1 Å²	73.1	34%	0.34	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.5	175.8	-175.3	68.1	0	0	0	109.5	C659 L660 C662 P670	C659-L668 HydrophobicContact CB-CD1 3.73Å; C659-L668 WeakPolarHBondContact O-CD1 3.28Å; L660-L668 WeakPolarHBondContact O-CD2 3.32Å; C662-L668 WeakPolarHBondContact SG-CA 3.14Å; C662-L668 VanDerWaalsContact SG-CB 3.55Å; C662-L668 PolarHBondContact SG-N 2.87Å; L668-P670 WeakPolarHBondContact O-CD 3.44Å
669	D	84.8	Confident	79.2	Confident	58 Å²	58	75.3 Å²	75.3	31%	0.31	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	111.4	162.1	-170.2	-39.4	0	0	0	108.1	V671 E672 Q673 T674	D669-V671 PolarHBondContact O-N 2.9Å; D669-V671 PolarHBondContact OD1-N 3.25Å; D669-E672 HydrophobicContact CB-CB 4.31Å; D669-E672 PolarHBondContact OD1-N 2.9Å; D669-Q673 WeakPolarHBondContact O-CA 3.41Å; D669-Q673 PolarHBondContact O-N 2.93Å; D669-T674 PolarHBondContact N-O 2.85Å
670	P	78.6	Confident	77.4	Confident	105 Å²	105	85 Å²	85	68%	0.682	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.5	-176.2	29.2	-34	0	0	0	113.6	L668	L668-P670 WeakPolarHBondContact O-CD 3.44Å
671	V	80.9	Confident	75.3	Confident	121 Å²	121	85.4 Å²	85.4	73%	0.733	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-47.9	179.6	-178.6	0	0	0	0	110.3	D669	D669-V671 PolarHBondContact O-N 2.9Å; D669-V671 PolarHBondContact OD1-N 3.25Å
672	E	81.7	Confident	73	Confident	118 Å²	118	88.5 Å²	88.5	55%	0.551	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.5	-179.2	-63.5	-64.9	143.7	0	0	112.7	D669 T674	D669-E672 HydrophobicContact CB-CB 4.31Å; D669-E672 PolarHBondContact OD1-N 2.9Å; E672-T674 HydrophobicContact CB-CG2 4.3Å; E672-T674 WeakPolarHBondContact O-CG2 3.34Å; E672-T674 PolarHBondContact O-N 2.84Å; E672-T674 VanDerWaalsContact O-N 3.1Å
673	Q	86.6	Confident	70.6	Confident	66 Å²	66	98.4 Å²	98.4	31%	0.308	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	33.6	-176	-69.6	-174.8	-17.9	0	0	112.8	T657 C659 D669	T657-Q673 CarbonylContact C-O 3.57Å; T657-Q673 WeakPolarHBondContact CA-O 3.45Å; T657-Q673 WeakPolarHBondContact O-CB 3.43Å; C659-Q673 VanDerWaalsContact CB-O 3.31Å; C659-Q673 WeakPolarHBondContact CB-O 3.25Å; C659-Q673 PolarHBondContact N-O 3.16Å; D669-Q673 WeakPolarHBondContact O-CA 3.41Å; D669-Q673 PolarHBondContact O-N 2.93Å
674	T	86.3	Confident	68.2	Low	42 Å²	42	106.2 Å²	106.2	26%	0.258	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.7	152.7	178	57.1	0	0	0	0	111	P656 T657 D669 E672	P656-T674 WeakPolarHBondContact O-CG2 3.41Å; T657-T674 HydrophobicContact CG2-CG2 3.67Å; D669-T674 PolarHBondContact N-O 2.85Å; E672-T674 HydrophobicContact CB-CG2 4.3Å; E672-T674 WeakPolarHBondContact O-CG2 3.34Å; E672-T674 PolarHBondContact O-N 2.84Å; E672-T674 VanDerWaalsContact O-N 3.1Å
675	C	86.4	Confident	66	Low	21 Å²	21	104.7 Å²	104.7	14%	0.142	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.9	116.7	171.5	-67.4	0	0	0	0	110.4	S647 C659 C662 A666	S647-C675 WeakPolarHBondContact O-CB 3.49Å; S647-C675 PolarHBondContact O-SG 3.15Å; C659-C675 PolarHBondContact SG-SG 3.35Å; C662-C675 WeakPolarHBondContact CA-SG 3.12Å; C662-C675 HydrophobicContact CB-CB 3.88Å; C662-C675 WeakPolarHBondContact CB-SG 3.33Å; C662-C675 WeakPolarHBondContact SG-CA 3.48Å; C662-C675 WeakPolarHBondContact SG-CB 3.13Å; C662-C675 CovalentContact SG-SG 2.02Å; C662-C675 PolarHBondContact SG-SG 3.32Å; A666-C675 HydrophobicContact CB-CB 4.25Å
676	S	80.3	Confident	63.8	Low	59 Å²	59	105.2 Å²	105.2	41%	0.413	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	135.6	174.7	57.8	0	0	0	0	110.8	S667 Q678	S667-S676 PolarHBondContact N-O 3.39Å; S667-S676 PolarHBondContact O-N 2.97Å; S667-S676 VanDerWaalsContact O-N 3.12Å; S676-Q678 PolarHBondContact O-N 2.92Å
677	R	67.9	Low	61.4	Low	195 Å²	195	110.2 Å²	110.2	74%	0.736	60%	0.598	S	S	*	*			trans	-70.7	126.9	168.3	-76.4	-172.5	-178.3	-157.1	-0.7	107.7	S679	R677-S679 PolarHBondContact O-N 3.11Å
678	Q	55.3	Low	59	Low	149 Å²	149	115.7 Å²	115.7	70%	0.696	62%	0.619	S	S	*	*			trans	-63	102.5	165.9	-72.9	-174.3	-5.5	0	0	108.6	S676	S676-Q678 PolarHBondContact O-N 2.92Å
679	S	45.7	Very low	56.3	Low	79 Å²	79	122.2 Å²	122.2	55%	0.552	65%	0.648	S	S	*	*			trans	-62	142.4	154.5	54	0	0	0	0	107.6	R677 S681	R677-S679 PolarHBondContact O-N 3.11Å; S679-S681 PolarHBondContact O-N 3.32Å; S679-S681 PolarHBondContact OG-OG 3.34Å
680	Q	46.8	Very low	53.8	Low	206 Å²	206	127.2 Å²	127.2	96%	0.963	67%	0.669	S	S	*	*	S	Bend	trans	-63.7	36	-179.4	-70.7	-179.6	-30.6	0	0	114.6
681	S	42.7	Very low	52	Low	99 Å²	99	127.4 Å²	127.4	69%	0.692	67%	0.671	S	S	*	*			trans	-107.7	5.4	-171.7	54.6	0	0	0	0	115.2	S679	S679-S681 PolarHBondContact O-N 3.32Å; S679-S681 PolarHBondContact OG-OG 3.34Å
682	S	37	Very low	49.8	Very low	105 Å²	105	126.9 Å²	126.9	73%	0.734	67%	0.67	S	S	*	*			trans	-121.3	29.3	176.3	40.3	0	0	0	0	114.1
683	R	37.5	Very low	47.2	Very low	234 Å²	234	132.9 Å²	132.9	88%	0.883	69%	0.687	S	S	*	*			trans	-102.4	106.7	154.5	-96.7	-175	-178	179.3	1.7	109	S685	R683-S685 PolarHBondContact O-N 3.5Å
684	E	30	Very low	44.6	Very low	194 Å²	194	137.7 Å²	137.7	91%	0.907	71%	0.714	S	S	*	*			trans	-66.8	117.1	168.9	-159.7	159.4	-160.2	0	0	109.2
685	S	30.1	Very low	42.4	Very low	105 Å²	105	141 Å²	141	73%	0.734	74%	0.736	S	S	*	*			trans	-157.9	151	165.1	-74.1	0	0	0	0	109.5	R683	R683-S685 PolarHBondContact O-N 3.5Å
686	P	32.2	Very low	40.3	Very low	121 Å²	121	144.8 Å²	144.8	79%	0.786	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.7	172.2	-153.2	-12.1	29.8	0	0	0	115
687	P	31.4	Very low	37.8	Very low	129 Å²	129	150.6 Å²	150.6	84%	0.838	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-79.1	154	-146.4	31.4	-35.6	0	0	0	116.4
688	Q	30.6	Very low	35.9	Very low	159 Å²	159	148.6 Å²	148.6	74%	0.743	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-54.1	157.9	179.7	-65.7	170.3	-29.2	0	0	116.1
689	Q	30.6	Very low	34.6	Very low	202 Å²	202	150 Å²	150	94%	0.944	79%	0.788	S	S	*	*				-144.4	127.5	125.3	-104.8	168	14.3	0	0	110.6
690	Q	30.7	Very low	33.8	Very low	163 Å²	163	150.9 Å²	150.9	76%	0.762	80%	0.801	S	S	*	*			trans	-95.9	166.6	-174.8	-103.3	-176.3	-5	0	0	112.9
691	P	41	Very low	32.8	Very low	109 Å²	109	144.7 Å²	144.7	71%	0.708	79%	0.792	S	S	*	*			trans	-97.8	-168	-165.8	41.4	-36.3	0	0	0	112.9
692	P	35.8	Very low	32.6	Very low	110 Å²	110	146.1 Å²	146.1	71%	0.714	80%	0.799	S	S	*	*			trans	-139.1	133.9	139.4	29.6	-11	0	0	0	116.7
693	R	27.2	Very low	32.5	Very low	244 Å²	244	152.7 Å²	152.7	92%	0.921	81%	0.808	S	S	*	*				73.2	121.2	129.2	-61.4	179.8	-167.9	-172	3.2	122.2
694	L	31.9	Very low	32.1	Very low	167 Å²	167	149.9 Å²	149.9	87%	0.874	81%	0.809	S	S	*	*			trans	-66.8	178.2	153.4	-80.3	156.3	0	0	0	111.8
695	P	39.5	Very low	32.3	Very low	111 Å²	111	152.5 Å²	152.5	72%	0.721	81%	0.811	S	S	*	*			cis	-148.9	-148.9	24.6	40.3	-15.3	0	0	0	113.9
696	P	42.3	Very low	32.3	Very low	100 Å²	100	152.5 Å²	152.5	65%	0.649	82%	0.818	S	S	*	*			cis	-129.6	174.2	-36.9	23	0.2	0	0	0	115.4
697	E	27.9	Very low	32.1	Very low	181 Å²	181	150.4 Å²	150.4	85%	0.846	82%	0.818	S	S	*	*			trans	49.5	131.6	143.5	-69.1	175.4	167.7	0	0	124
698	M	27.4	Very low	32.2	Very low	153 Å²	153	152.4 Å²	152.4	75%	0.754	82%	0.82	S	S	*	*				163.5	129.9	107.7	-105.3	174.8	74.4	0	0	114.3
699	E	28.4	Very low	32.4	Very low	178 Å²	178	153 Å²	153	83%	0.832	83%	0.828	S	S	*	*			trans	63.5	157.8	133	-74.7	-170.5	169.3	0	0	125.4
700	A	28.8	Very low	32.8	Very low	99 Å²	99	147.9 Å²	147.9	82%	0.818	81%	0.812	S	S	*	*			trans	-108.4	152.1	-159.6	0	0	0	0	0	114.1
701	G	26.4	Very low	33.5	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	81%	0.809	S	S	*	*			trans	89.6	166.3	153.6	0	0	0	0	0	117.4
702	P	37.5	Very low	34.1	Very low	129 Å²	129	145.7 Å²	145.7	84%	0.838	80%	0.803	S	S	*	*			cis	-128.6	177.6	-12.9	38.1	-20.4	0	0	0	114.5
703	R	35.3	Very low	34.6	Very low	244 Å²	244	146.9 Å²	146.9	92%	0.921	80%	0.803	S	S	*	*			trans	-57.1	143.1	172	-64.8	172.7	174.2	176.5	-2.6	112.9
704	L	28.7	Very low	35.5	Very low	175 Å²	175	139.7 Å²	139.7	92%	0.916	79%	0.788	S	S	*	*			trans	-139.9	126.5	157.2	-107.3	153.5	0	0	0	111.3
705	R	34.2	Very low	36.4	Very low	248 Å²	248	138 Å²	138	94%	0.936	78%	0.776	S	S	*	*			trans	-75.6	139.2	171.7	-80.6	173.1	163.9	169.8	-5.5	110.5
706	A	30.1	Very low	37	Very low	106 Å²	106	137.1 Å²	137.1	88%	0.876	77%	0.768	S	S	*	*			trans	-159	132.1	145.9	0	0	0	0	0	105
707	G	29.3	Very low	37.7	Very low	77 Å²	77	136.6 Å²	136.6	79%	0.794	76%	0.763	S	S	*	*			cis	134.6	116.8	32.5	0	0	0	0	0	104.9
708	L	33.3	Very low	39	Very low	170 Å²	170	130.9 Å²	130.9	89%	0.89	75%	0.746	S	S	*	*			trans	-58.5	151.3	-171.3	-82.4	119.6	0	0	0	115.4
709	L	33.4	Very low	40.7	Very low	172 Å²	172	125.7 Å²	125.7	90%	0.901	73%	0.732	S	S	*	*			trans	-159.8	126.3	135	-96.5	168.2	0	0	0	109.4
710	P	40.5	Very low	42.1	Very low	94 Å²	94	123 Å²	123	61%	0.61	72%	0.722	S	S	*	*			trans	-91.6	134.6	179	33.1	-29.2	0	0	0	112
711	S	44.7	Very low	43.8	Very low	101 Å²	101	121.1 Å²	121.1	71%	0.706	70%	0.704	S	S	*	*			trans	-104.5	99.8	170.8	61.4	0	0	0	0	110.6	L713 P714	S711-L713 PolarHBondContact O-N 3.48Å; S711-P714 WeakPolarHBondContact O-CD 3.48Å
712	H	53.8	Low	45.3	Very low	126 Å²	126	121.6 Å²	121.6	58%	0.583	69%	0.694	S	S	*	*			trans	-73.7	59.3	171.4	-73.1	-88.2	0	0	0	112.3	E715	H712-E715 IonicContact CE1-OE2 3.72Å; H712-E715 IonicContact ND1-OE2 3.53Å; H712-E715 PolarHBondContact ND1-OE2 2.89Å
713	L	45.9	Very low	46.5	Very low	135 Å²	135	118.2 Å²	118.2	71%	0.707	68%	0.677	S	S	*	*			trans	-98.6	-27.1	171.6	-124.5	83	0	0	0	114.9	S711 V717	S711-L713 PolarHBondContact O-N 3.48Å; L713-V717 WeakPolarHBondContact O-CG2 3.42Å
714	P	46.7	Very low	48.3	Very low	93 Å²	93	113.6 Å²	113.6	60%	0.604	66%	0.664	S	S	*	*	H	α-helix	trans	-74.4	-31.7	-179.2	-17.8	31	0	0	0	114.6	S711 A718	S711-P714 WeakPolarHBondContact O-CD 3.48Å; P714-A718 PolarHBondContact O-N 3.46Å; P714-A718 VanDerWaalsContact O-N 3.16Å
715	E	49.9	Very low	50.5	Low	131 Å²	131	110 Å²	110	61%	0.612	65%	0.645	S	S	*	*	H	α-helix	trans	-73.6	-36.2	-173.9	-69.5	171.7	163.1	0	0	112.5	H712 A718 G719	H712-E715 IonicContact CE1-OE2 3.72Å; H712-E715 IonicContact ND1-OE2 3.53Å; H712-E715 PolarHBondContact ND1-OE2 2.89Å; E715-A718 PolarHBondContact O-N 3.05Å; E715-G719 PolarHBondContact O-N 2.8Å
716	V	52.9	Low	52.6	Low	93 Å²	93	102.6 Å²	102.6	56%	0.564	63%	0.627	S	S	*	*	H	α-helix	trans	-69.9	-35.8	178	-178.3	0	0	0	0	111.3	L720	V716-L720 HydrophobicContact CG1-CD1 4.23Å; V716-L720 WeakPolarHBondContact O-CG 3.38Å; V716-L720 PolarHBondContact O-N 3.14Å; V716-L720 VanDerWaalsContact O-N 3.14Å
717	V	56	Low	54.8	Low	89 Å²	89	103 Å²	103	54%	0.539	61%	0.614	S	S	.	*	H	α-helix	trans	-73.1	-35.3	178.2	178.7	0	0	0	0	111.4	L713 S721	L713-V717 WeakPolarHBondContact O-CG2 3.42Å; V717-S721 WeakPolarHBondContact O-CB 3.43Å; V717-S721 PolarHBondContact O-N 3.35Å; V717-S721 VanDerWaalsContact O-N 3.14Å; V717-S721 PolarHBondContact O-OG 3.31Å
718	A	54.8	Low	57.3	Low	60 Å²	60	102.6 Å²	102.6	50%	0.496	60%	0.596	S	S	.	*	H	α-helix	trans	-66.9	-41.7	173.6	0	0	0	0	0	111.9	P714 E715 S721 C722	P714-A718 PolarHBondContact O-N 3.46Å; P714-A718 VanDerWaalsContact O-N 3.16Å; E715-A718 PolarHBondContact O-N 3.05Å; A718-S721 PolarHBondContact O-N 3.06Å; A718-C722 PolarHBondContact O-N 3.03Å
719	G	64.4	Low	59.2	Low	44 Å²	44	102 Å²	102	45%	0.454	59%	0.586	S	S	.	*	H	α-helix	trans	-62.4	-44.6	176.6	0	0	0	0	0	113.4	E715 S721 C722 A723	E715-G719 PolarHBondContact O-N 2.8Å; G719-S721 VanDerWaalsContact C-N 3.33Å; G719-S721 PolarHBondContact O-N 3.45Å; G719-C722 PolarHBondContact O-N 3.41Å; G719-A723 PolarHBondContact O-N 3.14Å; G719-A723 VanDerWaalsContact O-N 3.12Å
720	L	57.6	Low	61.3	Low	121 Å²	121	97.4 Å²	97.4	63%	0.634	57%	0.565	S	S	*	*	H	α-helix	trans	-68	-31.9	178	-70.5	170.3	0	0	0	112.8	V716 F724	V716-L720 HydrophobicContact CG1-CD1 4.23Å; V716-L720 WeakPolarHBondContact O-CG 3.38Å; V716-L720 PolarHBondContact O-N 3.14Å; V716-L720 VanDerWaalsContact O-N 3.14Å; L720-F724 PolarHBondContact O-N 3.46Å; L720-F724 VanDerWaalsContact O-N 3.14Å
721	S	63.5	Low	63	Low	61 Å²	61	96.3 Å²	96.3	43%	0.427	56%	0.557	S	S	.	*	H	α-helix	trans	-71.5	-40.7	176.7	-59	0	0	0	0	112.1	V717 A718 G719 F724 I725	V717-S721 WeakPolarHBondContact O-CB 3.43Å; V717-S721 PolarHBondContact O-N 3.35Å; V717-S721 VanDerWaalsContact O-N 3.14Å; V717-S721 PolarHBondContact O-OG 3.31Å; A718-S721 PolarHBondContact O-N 3.06Å; G719-S721 VanDerWaalsContact C-N 3.33Å; G719-S721 PolarHBondContact O-N 3.45Å; S721-F724 PolarHBondContact O-N 3.38Å; S721-I725 VanDerWaalsContact O-CG1 3.3Å; S721-I725 WeakPolarHBondContact O-CG1 3.37Å; S721-I725 PolarHBondContact O-N 3.07Å; S721-I725 VanDerWaalsContact O-N 3.07Å
722	C	58.9	Low	64.6	Low	85 Å²	85	95.2 Å²	95.2	57%	0.574	55%	0.546	S	S	*	.	H	α-helix	trans	-62.8	-43.1	173.6	-94.5	0	0	0	0	112	A718 G719 F724 I725 V726	A718-C722 PolarHBondContact O-N 3.03Å; G719-C722 PolarHBondContact O-N 3.41Å; C722-F724 VanDerWaalsContact C-N 3.31Å; C722-F724 PolarHBondContact O-N 2.97Å; C722-I725 PolarHBondContact O-N 3.12Å; C722-V726 WeakPolarHBondContact O-CG2 3.3Å; C722-V726 PolarHBondContact O-N 3.36Å
723	A	63.6	Low	65.5	Low	58 Å²	58	94.9 Å²	94.9	48%	0.479	54%	0.543	S	S	.	.	H	α-helix	trans	-60.8	-41.5	177.5	0	0	0	0	0	111.8	G719 L727	G719-A723 PolarHBondContact O-N 3.14Å; G719-A723 VanDerWaalsContact O-N 3.12Å; A723-L727 WeakPolarHBondContact O-CB 3.35Å; A723-L727 PolarHBondContact O-N 3.44Å
724	F	72.4	Confident	66.4	Low	146 Å²	146	93 Å²	93	64%	0.64	53%	0.533	S	S	*	.	H	α-helix	trans	-65.5	-42.3	177.5	-173.7	-101.2	0	0	0	112.6	L720 S721 C722 L727 V728	L720-F724 PolarHBondContact O-N 3.46Å; L720-F724 VanDerWaalsContact O-N 3.14Å; S721-F724 PolarHBondContact O-N 3.38Å; C722-F724 VanDerWaalsContact C-N 3.31Å; C722-F724 PolarHBondContact O-N 2.97Å; F724-L727 PolarHBondContact O-N 3.37Å; F724-V728 HydrophobicContact CD1-CG2 4.29Å; F724-V728 HydrophobicContact CE1-CG2 3.94Å; F724-V728 HydrophobicContact CZ-CG2 4.11Å; F724-V728 WeakPolarHBondContact O-CG2 3.38Å; F724-V728 PolarHBondContact O-N 3.14Å
725	I	74.4	Confident	67.7	Low	100 Å²	100	92.2 Å²	92.2	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-43.7	178.8	-68.1	165.5	0	0	0	111.2	S721 C722 L727 V728 F729	S721-I725 VanDerWaalsContact O-CG1 3.3Å; S721-I725 WeakPolarHBondContact O-CG1 3.37Å; S721-I725 PolarHBondContact O-N 3.07Å; S721-I725 VanDerWaalsContact O-N 3.07Å; C722-I725 PolarHBondContact O-N 3.12Å; I725-L727 VanDerWaalsContact C-N 3.3Å; I725-L727 PolarHBondContact O-N 2.99Å; I725-V728 PolarHBondContact O-N 3.28Å; I725-F729 PolarHBondContact O-N 3.06Å
726	V	77.6	Confident	68.3	Low	92 Å²	92	91.1 Å²	91.1	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-41.1	176.2	173.2	0	0	0	0	110.7	C722 V728 F729 V730	C722-V726 WeakPolarHBondContact O-CG2 3.3Å; C722-V726 PolarHBondContact O-N 3.36Å; V726-V728 PolarHBondContact O-N 2.6Å; V726-F729 PolarHBondContact O-N 2.86Å; V726-V730 HydrophobicContact CG1-CG2 4.26Å; V726-V730 VanDerWaalsContact O-CG2 3.31Å; V726-V730 WeakPolarHBondContact O-CG2 3.42Å; V726-V730 PolarHBondContact O-N 3.24Å
727	L	77.1	Confident	68.7	Low	116 Å²	116	90.9 Å²	90.9	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-42.5	179.8	-148	152.6	0	0	0	111.1	A723 F724 I725 V730 T731	A723-L727 WeakPolarHBondContact O-CB 3.35Å; A723-L727 PolarHBondContact O-N 3.44Å; F724-L727 PolarHBondContact O-N 3.37Å; I725-L727 VanDerWaalsContact C-N 3.3Å; I725-L727 PolarHBondContact O-N 2.99Å; L727-V730 PolarHBondContact O-N 3.5Å; L727-T731 WeakPolarHBondContact O-CB 3.31Å; L727-T731 PolarHBondContact O-N 2.98Å; L727-T731 PolarHBondContact O-OG1 3.48Å
728	V	80.9	Confident	68.9	Low	68 Å²	68	93.6 Å²	93.6	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-44.2	173.7	173.6	0	0	0	0	111	F724 I725 V726 T731 V732	F724-V728 HydrophobicContact CD1-CG2 4.29Å; F724-V728 HydrophobicContact CE1-CG2 3.94Å; F724-V728 HydrophobicContact CZ-CG2 4.11Å; F724-V728 WeakPolarHBondContact O-CG2 3.38Å; F724-V728 PolarHBondContact O-N 3.14Å; I725-V728 PolarHBondContact O-N 3.28Å; V726-V728 PolarHBondContact O-N 2.6Å; V728-T731 PolarHBondContact O-N 2.89Å; V728-V732 HydrophobicContact CG1-CG2 4.39Å; V728-V732 VanDerWaalsContact O-CG2 3.3Å; V728-V732 WeakPolarHBondContact O-CG2 3.41Å; V728-V732 PolarHBondContact O-N 3.3Å
729	F	75	Confident	69	Low	156 Å²	156	101.2 Å²	101.2	68%	0.684	54%	0.543	S	S	*	.	H	α-helix	trans	-63	-44.8	179	-116.5	-86.4	0	0	0	112.8	I725 V726 T731 V732 F733	I725-F729 PolarHBondContact O-N 3.06Å; V726-F729 PolarHBondContact O-N 2.86Å; F729-T731 VanDerWaalsContact C-N 3.32Å; F729-T731 PolarHBondContact O-N 3.4Å; F729-V732 PolarHBondContact O-N 2.94Å; F729-F733 VanDerWaalsContact O-CB 3.25Å; F729-F733 WeakPolarHBondContact O-CB 3.3Å; F729-F733 PolarHBondContact O-N 3.43Å
730	V	77.1	Confident	68.2	Low	77 Å²	77	102.5 Å²	102.5	47%	0.467	55%	0.546	S	S	.	.	H	α-helix	trans	-64.1	-39.8	177.2	171.2	0	0	0	0	110.8	V726 L727 F733 L734	V726-V730 HydrophobicContact CG1-CG2 4.26Å; V726-V730 VanDerWaalsContact O-CG2 3.31Å; V726-V730 WeakPolarHBondContact O-CG2 3.42Å; V726-V730 PolarHBondContact O-N 3.24Å; L727-V730 PolarHBondContact O-N 3.5Å; V730-F733 PolarHBondContact O-N 2.88Å; V730-L734 HydrophobicContact CG1-CD1 3.9Å; V730-L734 HydrophobicContact CG1-CG 4.42Å; V730-L734 WeakPolarHBondContact O-CB 3.49Å; V730-L734 WeakPolarHBondContact O-CG 3.25Å; V730-L734 PolarHBondContact O-N 3.43Å
731	T	76.8	Confident	67.8	Low	71 Å²	71	99.7 Å²	99.7	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-67	-44.1	179.5	-45.6	0	0	0	0	111.1	L727 V728 F729 L734 V735	L727-T731 WeakPolarHBondContact O-CB 3.31Å; L727-T731 PolarHBondContact O-N 2.98Å; L727-T731 PolarHBondContact O-OG1 3.48Å; V728-T731 PolarHBondContact O-N 2.89Å; F729-T731 VanDerWaalsContact C-N 3.32Å; F729-T731 PolarHBondContact O-N 3.4Å; T731-L734 PolarHBondContact O-N 2.94Å; T731-V735 WeakPolarHBondContact O-CB 3.24Å; T731-V735 VanDerWaalsContact O-CG2 3.27Å; T731-V735 WeakPolarHBondContact O-CG2 3.44Å; T731-V735 PolarHBondContact O-N 3.47Å
732	V	77.1	Confident	66.8	Low	78 Å²	78	105.6 Å²	105.6	47%	0.473	56%	0.564	S	S	.	*	H	α-helix	trans	-64.5	-42.5	175.7	172.6	0	0	0	0	110.7	V728 F729 V735 L736	V728-V732 HydrophobicContact CG1-CG2 4.39Å; V728-V732 VanDerWaalsContact O-CG2 3.3Å; V728-V732 WeakPolarHBondContact O-CG2 3.41Å; V728-V732 PolarHBondContact O-N 3.3Å; F729-V732 PolarHBondContact O-N 2.94Å; V732-V735 PolarHBondContact O-N 3.36Å; V732-L736 HydrophobicContact CG1-CD1 3.87Å; V732-L736 HydrophobicContact CG1-CG 4.41Å; V732-L736 WeakPolarHBondContact O-CB 3.36Å; V732-L736 VanDerWaalsContact O-CG 3.24Å; V732-L736 WeakPolarHBondContact O-CG 3.26Å; V732-L736 PolarHBondContact O-N 3Å
733	F	72.1	Confident	65.6	Low	119 Å²	119	106.7 Å²	106.7	52%	0.522	57%	0.573	S	S	.	*	H	α-helix	trans	-61.4	-44.9	176.5	-175	-97.8	0	0	0	112	F729 V730 L736 Q737	F729-F733 VanDerWaalsContact O-CB 3.25Å; F729-F733 WeakPolarHBondContact O-CB 3.3Å; F729-F733 PolarHBondContact O-N 3.43Å; V730-F733 PolarHBondContact O-N 2.88Å; F733-L736 PolarHBondContact O-N 2.9Å; F733-Q737 HydrophobicContact CD1-CG 4.06Å; F733-Q737 HydrophobicContact CE1-CG 3.76Å; F733-Q737 HydrophobicContact CZ-CG 4.03Å; F733-Q737 VanDerWaalsContact O-CG 3.26Å; F733-Q737 WeakPolarHBondContact O-CG 3.27Å; F733-Q737 PolarHBondContact O-N 3.28Å
734	L	66.6	Low	64.2	Low	96 Å²	96	113.6 Å²	113.6	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-65.4	-39.4	177.3	-76.4	169.9	0	0	0	112.6	V730 T731 L736 Q737 L738	V730-L734 HydrophobicContact CG1-CD1 3.9Å; V730-L734 HydrophobicContact CG1-CG 4.42Å; V730-L734 WeakPolarHBondContact O-CB 3.49Å; V730-L734 WeakPolarHBondContact O-CG 3.25Å; V730-L734 PolarHBondContact O-N 3.43Å; T731-L734 PolarHBondContact O-N 2.94Å; L734-L736 VanDerWaalsContact C-N 3.32Å; L734-Q737 PolarHBondContact O-N 2.89Å; L734-L738 WeakPolarHBondContact O-CB 3.35Å; L734-L738 WeakPolarHBondContact O-CD1 3.31Å; L734-L738 VanDerWaalsContact O-CG 3.31Å; L734-L738 WeakPolarHBondContact O-CG 3.5Å; L734-L738 PolarHBondContact O-N 3.37Å
735	V	72.8	Confident	62.4	Low	75 Å²	75	118.6 Å²	118.6	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-65.8	-37.1	175.4	170	0	0	0	0	111.3	T731 V732 R739	T731-V735 WeakPolarHBondContact O-CB 3.24Å; T731-V735 VanDerWaalsContact O-CG2 3.27Å; T731-V735 WeakPolarHBondContact O-CG2 3.44Å; T731-V735 PolarHBondContact O-N 3.47Å; V732-V735 PolarHBondContact O-N 3.36Å; V735-R739 PolarHBondContact O-N 3.4Å; V735-R739 VanDerWaalsContact O-N 3.16Å
736	L	62.5	Low	60.4	Low	109 Å²	109	117.3 Å²	117.3	57%	0.571	62%	0.618	S	S	*	*	H	α-helix	trans	-68.1	-41.9	174.8	-71.6	169.8	0	0	0	111.6	V732 F733 L734 R739 S740	V732-L736 HydrophobicContact CG1-CD1 3.87Å; V732-L736 HydrophobicContact CG1-CG 4.41Å; V732-L736 WeakPolarHBondContact O-CB 3.36Å; V732-L736 VanDerWaalsContact O-CG 3.24Å; V732-L736 WeakPolarHBondContact O-CG 3.26Å; V732-L736 PolarHBondContact O-N 3Å; F733-L736 PolarHBondContact O-N 2.9Å; L734-L736 VanDerWaalsContact C-N 3.32Å; L736-R739 PolarHBondContact O-N 3.24Å; L736-S740 PolarHBondContact O-N 3.46Å; L736-S740 PolarHBondContact O-OG 3.03Å
737	Q	61.7	Low	58.1	Low	88 Å²	88	119.8 Å²	119.8	41%	0.411	63%	0.633	S	S	.	*	H	α-helix	trans	-66.3	-37	176.3	-69.6	-65.6	-19.1	0	0	112.8	F733 L734 R739 S740	F733-Q737 HydrophobicContact CD1-CG 4.06Å; F733-Q737 HydrophobicContact CE1-CG 3.76Å; F733-Q737 HydrophobicContact CZ-CG 4.03Å; F733-Q737 VanDerWaalsContact O-CG 3.26Å; F733-Q737 WeakPolarHBondContact O-CG 3.27Å; F733-Q737 PolarHBondContact O-N 3.28Å; L734-Q737 PolarHBondContact O-N 2.89Å; Q737-R739 VanDerWaalsContact C-N 3.29Å; Q737-R739 PolarHBondContact O-N 3.16Å; Q737-S740 WeakPolarHBondContact CA-OG 3.46Å; Q737-S740 PolarHBondContact O-N 3.19Å; Q737-S740 PolarHBondContact O-OG 3.23Å
738	L	59.8	Low	55.7	Low	146 Å²	146	123.2 Å²	123.2	76%	0.764	64%	0.643	S	S	*	*	H	α-helix	trans	-68.9	-26.9	174.9	-78.1	163.9	0	0	0	112.6	L734	L734-L738 WeakPolarHBondContact O-CB 3.35Å; L734-L738 WeakPolarHBondContact O-CD1 3.31Å; L734-L738 VanDerWaalsContact O-CG 3.31Å; L734-L738 WeakPolarHBondContact O-CG 3.5Å; L734-L738 PolarHBondContact O-N 3.37Å
739	R	57	Low	53.2	Low	219 Å²	219	125.8 Å²	125.8	83%	0.826	66%	0.659	S	S	*	*	H	α-helix	trans	-85.8	-21.9	175.4	-79.2	-172.9	170	-167.7	-2.1	113.8	V735 L736 Q737	V735-R739 PolarHBondContact O-N 3.4Å; V735-R739 VanDerWaalsContact O-N 3.16Å; L736-R739 PolarHBondContact O-N 3.24Å; Q737-R739 VanDerWaalsContact C-N 3.29Å; Q737-R739 PolarHBondContact O-N 3.16Å
740	S	48	Very low	51	Low	72 Å²	72	128.4 Å²	128.4	50%	0.503	67%	0.666	S	S	.	*	S	Bend	trans	-91	-1	-179.1	60.5	0	0	0	0	114.9	L736 Q737	L736-S740 PolarHBondContact O-N 3.46Å; L736-S740 PolarHBondContact O-OG 3.03Å; Q737-S740 WeakPolarHBondContact CA-OG 3.46Å; Q737-S740 PolarHBondContact O-N 3.19Å; Q737-S740 PolarHBondContact O-OG 3.23Å
741	G	49.3	Very low	48.6	Very low	62 Å²	62	130.6 Å²	130.6	64%	0.639	68%	0.679	S	S	*	*			trans	53.7	85.5	170.7	0	0	0	0	0	114.1
742	F	41.6	Very low	46.4	Very low	184 Å²	184	136.5 Å²	136.5	81%	0.807	70%	0.704	S	S	*	*			trans	-127.6	135.3	171.5	-128.4	-95.5	0	0	0	113.9
743	S	34.4	Very low	44.1	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	72%	0.718	S	S	*	*			trans	-83.8	135	-175.9	-179.6	0	0	0	0	111.4
744	F	34.4	Very low	42.2	Very low	203 Å²	203	145.2 Å²	145.2	89%	0.89	74%	0.736	S	S	*	*			trans	-88	119	174.4	-100.7	-91.9	0	0	0	111.1
745	R	33.8	Very low	40.5	Very low	252 Å²	252	144.3 Å²	144.3	95%	0.951	75%	0.749	S	S	*	*			trans	-137.3	96	148.6	-98.3	-171.6	174.3	-177.4	-1.5	111.2
746	G	32.9	Very low	38.4	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	77%	0.768	S	S	*	*			trans	72.3	99.3	134.1	0	0	0	0	0	119.1
747	V	29.2	Very low	36.7	Very low	144 Å²	144	150.4 Å²	150.4	87%	0.873	78%	0.777	S	S	*	*			trans	-121.9	115.2	153.5	178.9	0	0	0	0	108.5
748	K	27.3	Very low	35	Very low	189 Å²	189	151.3 Å²	151.3	82%	0.822	79%	0.793	S	S	*	*			trans	-80.4	131.6	161.3	-90.7	-178.3	174.6	178.6	0	108
749	V	28.5	Very low	33.8	Very low	122 Å²	122	154.8 Å²	154.8	74%	0.739	80%	0.798	S	S	*	*			trans	-64.3	134.3	173.3	176.5	0	0	0	0	110.1
750	Y	28.5	Very low	32.4	Very low	211 Å²	211	154.5 Å²	154.5	83%	0.827	80%	0.803	S	S	*	*			trans	-132.2	133.2	150.6	-83.9	-76.5	0	0	0	110.7
751	T	26.7	Very low	31.3	Very low	122 Å²	122	154.8 Å²	154.8	75%	0.748	82%	0.817	S	S	*	*			trans	-72.2	138.9	-179.7	44.9	0	0	0	0	111.5
752	M	29.8	Very low	30.5	Very low	196 Å²	196	160 Å²	160	97%	0.966	83%	0.829	S	S	*	*			trans	-78.5	121.5	171.1	-113	177.4	159	0	0	109.8
753	D	30.4	Very low	30.4	Very low	143 Å²	143	156.8 Å²	156.8	77%	0.765	83%	0.827	S	S	*	*			trans	-147.7	128.9	156.8	-132.1	-9.1	0	0	0	110.3
754	R	32.2	Very low	31	Very low	237 Å²	237	156.9 Å²	156.9	89%	0.894	83%	0.825	S	S	*	*			trans	45.2	123.5	158.7	-64.7	176.6	179.2	-166	-2.9	121.2
755	G	29.2	Very low	30.8	Very low	76 Å²	76	156.3 Å²	156.3	78%	0.784	83%	0.825	S	S	*	*			trans	113.2	113.5	130.2	0	0	0	0	0	117.9
756	L	29.2	Very low	30.6	Very low	164 Å²	164	148.2 Å²	148.2	86%	0.859	81%	0.812	S	S	*	*			trans	27.9	125.8	131.5	-119.6	102.9	0	0	0	119
757	I	27.7	Very low	30.5	Very low	148 Å²	148	155.5 Å²	155.5	76%	0.759	82%	0.818	S	S	*	*				151.1	124.2	121.3	-79	162.3	0	0	0	114.4
758	S	25.8	Very low	30.3	Very low	107 Å²	107	155.8 Å²	155.8	75%	0.748	81%	0.809	S	S	*	*			trans	58.8	128.8	131.6	-152.5	0	0	0	0	123.5
759	Y	33.2	Very low	30.4	Very low	219 Å²	219	154.5 Å²	154.5	86%	0.859	81%	0.806	S	S	*	*			trans	-63.3	139.1	149.5	-96.2	-103.3	0	0	0	112.4
760	K	28.2	Very low	30.4	Very low	214 Å²	214	156.9 Å²	156.9	93%	0.93	81%	0.809	S	S	*	*			trans	172.9	142.1	133	-106.9	-178.7	176.2	179.6	0	111.5
761	G	26.1	Very low	30.6	Very low	78 Å²	78	152.8 Å²	152.8	80%	0.804	81%	0.81	S	S	*	*			trans	139.2	92.5	145.4	0	0	0	0	0	116.8
762	L	32.3	Very low	31.1	Very low	170 Å²	170	152.3 Å²	152.3	89%	0.89	81%	0.809	S	S	*	*			trans	-64.9	173.6	154.1	-66.4	156.2	0	0	0	110.5
763	P	38	Very low	31	Very low	117 Å²	117	147.5 Å²	147.5	76%	0.76	80%	0.795	S	S	*	*				-154.2	-162.1	84.6	45.5	-23.6	0	0	0	113.3
764	P	47.4	Very low	30.9	Very low	111 Å²	111	147.5 Å²	147.5	72%	0.721	80%	0.795	S	S	*	*				-131.8	175.6	-95.1	37.9	-17.3	0	0	0	114.5
765	E	30.5	Very low	30.7	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	79%	0.787	S	S	*	*				167.2	147.2	127.8	-93.2	-178.7	-172.5	0	0	113.9
766	A	29.9	Very low	30.8	Very low	82 Å²	82	145.8 Å²	145.8	68%	0.678	79%	0.788	S	S	*	*			trans	105.2	92.1	151.2	0	0	0	0	0	121.8
767	W	29.5	Very low	30.9	Very low	225 Å²	225	146.6 Å²	146.6	85%	0.852	79%	0.787	S	S	*	*			trans	69	103.7	130.3	-57.1	98.9	0	0	0	123
768	Q	26.8	Very low	31.1	Very low	150 Å²	150	147 Å²	147	70%	0.701	79%	0.791	S	S	*	*				28.7	124.8	114.7	-93.4	173	-20	0	0	119.6
769	E	29.2	Very low	31.4	Very low	161 Å²	161	150.8 Å²	150.8	75%	0.752	80%	0.797	S	S	*	*				172.2	145.2	93.8	-108.6	170.5	-170.7	0	0	112.9
770	E	27.6	Very low	31.2	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	79%	0.791	S	S	*	*			trans	60.1	124.5	148.8	-63.4	-176.6	166.4	0	0	123.6
771	C	32.3	Very low	31.3	Very low	126 Å²	126	144.8 Å²	144.8	85%	0.851	79%	0.79	S	S	*	*			trans	-98.5	151.3	148.9	-71.2	0	0	0	0	108.5
772	P	38.8	Very low	31.5	Very low	112 Å²	112	144.8 Å²	144.8	73%	0.727	79%	0.79	S	S	*	*				-150.3	149.2	115.2	38	-20.9	0	0	0	117.1
773	S	26.5	Very low	31.5	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	78%	0.777	S	S	*	*			trans	50.5	136	133.5	69.1	0	0	0	0	125.2
774	D	29	Very low	31.1	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	78%	0.775	S	S	*	*			trans	74.9	114.8	137.4	-60	-11.2	0	0	0	120.5
775	S	27.9	Very low	30.2	Very low	105 Å²	105	147.6 Å²	147.6	73%	0.734	78%	0.779	S	S	*	*				82.1	134.2	108.7	70.6	0	0	0	0	112.2
776	E	31.3	Very low	30.1	Very low	172 Å²	172	141.9 Å²	141.9	80%	0.804	77%	0.765	S	S	*	*			cis	-168.7	162.2	29.6	-124.1	165.7	-157.1	0	0	107.3
777	E	32	Very low	30	Very low	181 Å²	181	146.8 Å²	146.8	85%	0.846	77%	0.772	S	S	*	*			trans	4.8	135.2	157.2	-59.9	176.1	167.2	0	0	121.3
778	D	30.5	Very low	30.1	Very low	158 Å²	158	144.1 Å²	144.1	85%	0.845	77%	0.772	S	S	*	*				-159.9	147.3	118.7	-149.7	0.1	0	0	0	113.1
779	E	31.9	Very low	30.4	Very low	185 Å²	185	145 Å²	145	86%	0.864	77%	0.774	S	S	*	*			trans	-67.5	168.3	-177.8	-61.5	-178.4	133.9	0	0	114
780	G	29.6	Very low	30.5	Very low	72 Å²	72	143.3 Å²	143.3	74%	0.742	77%	0.77	S	S	*	*			trans	133.9	79	144.5	0	0	0	0	0	117.4
781	R	30	Very low	31	Very low	236 Å²	236	143.6 Å²	143.6	89%	0.891	77%	0.771	S	S	*	*				46.3	99.4	125.2	-154.7	175.1	-169.4	170.7	2.8	117.2
782	G	31.2	Very low	31.2	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	77%	0.766	S	S	*	*			trans	-73	134.1	158.8	0	0	0	0	0	112.1
783	E	31.5	Very low	31.1	Very low	135 Å²	135	141.9 Å²	141.9	63%	0.631	77%	0.769	S	S	*	*			trans	-135.7	125.2	150.6	-98.2	-160.9	166.7	0	0	109.4
784	R	30.1	Very low	31.5	Very low	188 Å²	188	149.1 Å²	149.1	71%	0.709	80%	0.799	S	S	*	*				75.5	134.8	129.8	-73.7	179.2	169.8	169	-4.5	120.5
785	T	27.6	Very low	31.6	Very low	133 Å²	133	149.5 Å²	149.5	82%	0.816	80%	0.801	S	S	*	*			trans	74.1	146.3	134.7	54.9	0	0	0	0	116.2
786	A	29.5	Very low	31.8	Very low	72 Å²	72	151.8 Å²	151.8	60%	0.595	80%	0.804	S	S	*	*			cis	-172.4	158.2	8.9	0	0	0	0	0	106.8
787	F	28.6	Very low	31.8	Very low	185 Å²	185	150.7 Å²	150.7	81%	0.811	80%	0.804	S	S	*	*			trans	56.6	143.8	143.1	-80.4	-105.2	0	0	0	118.2
788	I	30.1	Very low	31.8	Very low	169 Å²	169	148.9 Å²	148.9	87%	0.867	80%	0.802	S	S	*	*				-164.8	143.9	90.8	-87.7	161.6	0	0	0	109.7
789	K	33.4	Very low	31.9	Very low	168 Å²	168	148.3 Å²	148.3	73%	0.73	80%	0.799	S	S	*	*			trans	-89.2	172.4	177.5	-158.6	-173.3	-178.5	-176.5	0	110.1
790	D	31.7	Very low	31.9	Very low	126 Å²	126	145.9 Å²	145.9	67%	0.674	80%	0.795	S	S	*	*			trans	106.6	107.2	157.8	-58.5	-18.7	0	0	0	114.7
791	Q	38.4	Very low	32.1	Very low	178 Å²	178	151.1 Å²	151.1	83%	0.832	80%	0.799	S	S	*	*				59.4	105.7	77.2	-87.7	-159.7	-10.2	0	0	114.1
792	S	35.1	Very low	32.3	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	79%	0.792	S	S	*	*				152.8	151.7	108.7	-72.5	0	0	0	0	113.6
793	A	36.4	Very low	32.3	Very low	95 Å²	95	150.2 Å²	150.2	79%	0.785	79%	0.791	S	S	*	*			trans	73.2	114.6	164.1	0	0	0	0	0	114.7
794	L	35.7	Very low	32.4	Very low	246 Å²	246	151.5 Å²	151.5	100%	1.288	81%	0.805	S	S	*	*				-163.8	0	56.1	-108.4	156.1	0	0	0	111.1

Retrieved 794 of 794 residues in 1752.4 ms (Link to these results)

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